diff --git a/Gruntfile.js b/Gruntfile.js index 05f0157a0..762e3a215 100644 --- a/Gruntfile.js +++ b/Gruntfile.js @@ -28,11 +28,13 @@ module.exports = function(grunt) { files : { 'min/exi.js' : [ "js/dust/**/*js", "js/core/**/*js"], - 'min/exi.mx.js' : ["js/mx/**/*js"], - 'min/exi.saxs.js' : ["js/saxs/**/*js"], - 'min/exi.test.js' : ["js/test/**/*js"], - 'min/bower_components.min.js' : [ - "bower_components/jquery/dist/jquery.min.js", + 'min/exi.mx.js' : ["js/mx/**/*js"], + 'min/exi.saxs.js' : ["js/saxs/**/*js"], + 'min/exi.test.js' : ["js/test/**/*js"], + 'min/exi.tracking.js' : ["js/tracking/**/*js"], + 'min/bower_components.min.js' : [ + + "bower_components/jquery/dist/jquery.min.js", "bower_components/lightbox2/dist/js/lightbox.min.js", "bower_components/jquery-lazy/jquery.lazy.min.js", "bower_components/dustjs-linkedin/dist/dust-full.min.js", @@ -50,7 +52,8 @@ module.exports = function(grunt) { "bower_components/exi-ui-utils/min/exi-ui-utils.min.js", "bower_components/ispyb-js-api/min/ispyb-js-api.min.js", "bower_components/exi-ui-viz/min/exi-ui-viz.min.js", - " bower_components/three/build/three.min.js" + "bower_components/three/build/three.min.js", + "bower_components/notifyjs/dist/notify.js" ] } } @@ -71,7 +74,13 @@ module.exports = function(grunt) { 'min/exi.test.js', 'min/precompiled.templates.min.js' ], - 'min/lightbox.js' : [ + 'min/exi.tracking.min.js' : [ + 'min/exi.js', + 'min/exi.tracking.js', + 'min/exi.test.js', + 'min/precompiled.templates.min.js' + ], + 'min/lightbox.js' : [ 'bower_components/lightbox2/dist/js/lightbox.js' ], @@ -108,7 +117,7 @@ module.exports = function(grunt) { reporter: require('jshint-stylish'), jshintrc : '.jshintrc' }, - prod: [ 'js/core/**/*.js', 'js/mx/**/*.js', 'js/saxs/**/*.js', 'js/viewer/**/*.js'] + prod: [ 'js/core/**/*.js', 'js/mx/**/*.js', 'js/saxs/**/*.js', 'js/tracking/**/*.js', 'js/viewer/**/*.js'] }, plato: { all : { @@ -136,6 +145,19 @@ module.exports = function(grunt) { files: { 'reports/mx': ['js/mx/**/*.js'], } + }, + tracking: { + options : { + complexity : { + logicalor : true, + switchcase : true, + forin : true, + trycatch : true + } + }, + files: { + 'reports/tracking': ['js/tracking/**/*.js'], + } }, saxs: { options : { @@ -178,6 +200,8 @@ module.exports = function(grunt) { 'saxs/dev.html': 'saxs/index.tpl.html' },{ 'mx/dev.html' : 'mx/index.tpl.html' + },{ + 'tracking/dev.html' : 'tracking/index.tpl.html' }] } }, @@ -192,7 +216,7 @@ module.exports = function(grunt) { }, wiredep: { target: { - src: ['mx/dev.html', 'saxs/dev.html'], // point to your HTML file. + src: ['mx/dev.html', 'saxs/dev.html', 'tracking/dev.html'], // point to your HTML file. } }, dustjs: { diff --git a/bower.json b/bower.json index c6583793e..f31fab989 100644 --- a/bower.json +++ b/bower.json @@ -41,14 +41,15 @@ "lightbox2": "2.8.2", "bootstrap": "^3.3.7", "exi-ui-utils": "*", - "bootstrap-year-calendar": "^1.1.0", - "notifyjs": "^0.4.2", - "three": "*" + "bootstrap-year-calendar": "^1.1.0", + "three": "*", + "notifyjs": "*" }, "devDependencies": { "uglymol": "^0.1.0" }, "resolutions": { - "lightbox2": "2.8.2" + "lightbox2": "2.8.2", + "jquery": "1.9.1 - 3" } } diff --git a/css/exi.css b/css/exi.css index 52d7d1807..29d46aaa3 100644 --- a/css/exi.css +++ b/css/exi.css @@ -1,5 +1,20 @@ + + +.unselectable-text { + -webkit-touch-callout: none; + -webkit-user-select: none; + -khtml-user-select: none; + -moz-user-select: none; + -ms-user-select: none; + userf-select: none; +} + /** Shipment **/ +.handsontable td.htInvalid { + background-color: #ffffff!important; +} + .container-widget { fill:#CCCCCC; stroke:black; @@ -8,16 +23,18 @@ } .stock-solution { - border-radius: 5px; - padding: 5px; + border-radius: 0px; + padding: 0px; background: #ffffff; opacity: 1; font-size: 10px; - border : 2px solid #000000; + border : 0px solid #000000; } .stock-solution-selected { - border : 2px solid #99ff66; + border-color:#99ff66 !important; + border-style: solid !important; + border-width: 2px !important; } .table.borderless tbody>tr>td { @@ -50,6 +67,16 @@ /** SAXS queue grid **/ +.plate-square { + stroke : black; + stroke-width : 1 +} + +.plate-square-selected { + stroke : #23eeff; + stroke-width : 2 +} + .blue-bottom-border-row { border-bottom: 2px solid #3892d3 !important; } @@ -414,7 +441,7 @@ overflow-x: hidden; } .selected-region:hover{ - //cursor: pointer; + /*//cursor: pointer;*/ overflow:auto; @@ -424,11 +451,7 @@ overflow-x: hidden; } .selected-region{ height:300px; - //overflow:auto; - - - - + /*overflow:auto;*/ } .result-autoprocessing-anchor{ @@ -569,7 +592,7 @@ overflow-x: hidden; .summary_datacollection_parameter{ font-size : 10px; - #background-color:#FFFFFF; + /*background-color:#FFFFFF;*/ } @@ -869,13 +892,13 @@ img.smalllazy { border-radius : 3px; height: 20px; moz-border-radius : 3px; - #-webkit-box-shadow : 0px 2px 2px rgba(0,0,0,0.4); - #-moz-box-shadow : 0px 2px 2px rgba(0,0,0,0.4); - #box-shadow : 0px 2px 2px rgba(0,0,0,0.4); + /*#-webkit-box-shadow : 0px 2px 2px rgba(0,0,0,0.4);*/ + /*#-moz-box-shadow : 0px 2px 2px rgba(0,0,0,0.4); + #box-shadow : 0px 2px 2px rgba(0,0,0,0.4);*/ font-size : 9px; color : #ffffff; padding : 1px 17px; -# background : #c20000; +/*# background : #c20000;*/ background : #F5A9A9; background : -webkit-gradient(linear, left top, left bottom, color-stop(0%,#c20000), color-stop(100%,#ff0055)); background : -moz-linear-gradient(top, #c20000 0%, #ff0055 100%); @@ -989,8 +1012,8 @@ img.smalllazy { .option-bar-menu{ margin: auto; width: 50%; - #border:3px solid #8AC007; - #padding: 10px; + /*#border:3px solid #8AC007; + #padding: 10px;*/ } @@ -1103,7 +1126,7 @@ img.smalllazy { .sample-row-grid{ color : #157fcc; - #background-color : #157fcc; + /*#background-color : #157fcc;*/ } .selected-row-grid{ @@ -1125,8 +1148,6 @@ img.smalllazy { font-size : 9px; padding : 1px 1px; background : #F5F5F5; - - } @@ -1138,7 +1159,7 @@ img.smalllazy { } .btn-blue:hover{ - #background : #A9D0F5; + /*#background : #A9D0F5;*/ cursor : pointer; color : black; diff --git a/js/core/app/proposalmanager.js b/js/core/app/proposalmanager.js index d3b96c60c..fbe094a33 100644 --- a/js/core/app/proposalmanager.js +++ b/js/core/app/proposalmanager.js @@ -22,7 +22,7 @@ ProposalManager.prototype.get = function(forceUpdate) { localStorage.setItem("proposals", JSON.stringify(proposals)); _this.onActiveProposalChanged.notify(); }; - EXI.getDataAdapter({async : true, onSuccess : onSuccess}).proposal.proposal.getProposalsInfo(); + EXI.getDataAdapter({async : false, onSuccess : onSuccess}).proposal.proposal.getProposalsInfo(); } return JSON.parse(localStorage.getItem("proposals")); diff --git a/js/core/controller/labcontactexicontroller.js b/js/core/controller/labcontactexicontroller.js index a809ba20b..2ba566593 100644 --- a/js/core/controller/labcontactexicontroller.js +++ b/js/core/controller/labcontactexicontroller.js @@ -43,14 +43,14 @@ LabContactExiController.prototype.init = function() { adapter.proposal.labcontacts.getLabContacts(); /** Loading welcome page **/ - EXI.addMainPanel(new AddressWelcomeMainView()); + // EXI.addMainPanel(new AddressWelcomeMainView()); }).enter(this.setPageBackground); - Path.map("#/proposal/address/:lacontactId/main").to(function() { + Path.map("#/proposal/address/:labcontactId/main").to(function() { var mainView = new AddressMainView(); EXI.addMainPanel(mainView); - mainView.load(this.params['lacontactId']); + mainView.load(this.params['labcontactId']); }).enter(this.setPageBackground); }; diff --git a/js/core/controller/shippingexicontroller.js b/js/core/controller/shippingexicontroller.js index 63e0cddd3..183cf33c6 100644 --- a/js/core/controller/shippingexicontroller.js +++ b/js/core/controller/shippingexicontroller.js @@ -73,24 +73,37 @@ ShippingExiController.prototype.init = function() { Path.map("#/proposal/shipping/nav").to(function() { loadShipmentNavigationList(); - EXI.addMainPanel(new ShippingWelcomeMainView()); + // EXI.addMainPanel(new ShippingWelcomeMainView()); }); Path.map("#/shipping/:shippingId/main").to(function() { - var mainView = new ShippingMainViewTest(); + var mainView = new ShippingMainView(); EXI.addMainPanel(mainView); mainView.load(this.params['shippingId']); }).enter(this.setPageBackground); - Path.map("#/shipping/main").to(function() { - var mainView = new ShippingMainViewTest(); + Path.map("#/shipping/main").to(function() { + + var mainView = new ShippingMainView(); EXI.addMainPanel(mainView); mainView.load(); }).enter(this.setPageBackground); - - Path.map("#/shipping/edv").to(function() { - var mainView = new ElectronDensityViewer(); + Path.map("#/shipping/:shippingId/:shippingStatus/containerId/:containerId/edit").to(function() { + var mainView = new PuckFormView(); + EXI.addMainPanel(mainView); + mainView.load(this.params['containerId'],this.params['shippingId'],this.params['shippingStatus']); + }).enter(this.setPageBackground); + + Path.map("#/shipping/:shippingId/containerId/:containerId/sampleId/:sampleId/editCrystalForm").to(function() { + var mainView = new CrystalFormView(); EXI.addMainPanel(mainView); + mainView.load(this.params['containerId'],this.params['sampleId'],this.params['shippingId']); }).enter(this.setPageBackground); + + // Path.map("#/shipping/edv").to(function() { + // var mainView = new ElectronDensityViewer(); + // EXI.addMainPanel(mainView); + // }).enter(this.setPageBackground); + }; diff --git a/js/core/menu/mainmenu.js b/js/core/menu/mainmenu.js index 15a0d12dd..db30dc5c8 100644 --- a/js/core/menu/mainmenu.js +++ b/js/core/menu/mainmenu.js @@ -49,17 +49,17 @@ MainMenu.prototype.getHomeItem = function() { MainMenu.prototype.getShipmentItem = function() { var _this = this; - function onItemCheck(item, checked) { - if (item.text == "Shipments") { - location.hash = "/proposal/shipping/nav"; - } - if (item.text == "Manage shipping addresses") { - location.hash = "/proposal/addresses/nav"; - } - if (item.text == "Shipment List") { - location.hash = "/proposal/shipping/nav"; - } - } + // function onItemCheck(item, checked) { + // if (item.text == "Shipments") { + // location.hash = "/proposal/shipping/nav"; + // } + // if (item.text == "Manage shipping addresses") { + // location.hash = "/proposal/addresses/nav"; + // } + // if (item.text == "Shipment List") { + // location.hash = "/proposal/shipping/nav"; + // } + // } function getBiosaxsMenu() { var _this = this; @@ -79,14 +79,115 @@ MainMenu.prototype.getShipmentItem = function() { } ] }); } + + function getLabContactsMenu() { + var _this = this; + function onItemCheck(item, checked) { + if (item.text == "Add new") { + var addressEditForm = new AddressEditForm(); + addressEditForm.onSaved.attach(function (sender, address) { + window.close(); + location.hash = "#/proposal/address/" + address.labContactId + "/main"; + }); + + var window = Ext.create('Ext.window.Window', { + title : 'Shipping Address Card', + height: 550, + width: 750, + modal : true, + layout : 'fit', + items : [ addressEditForm.getPanel() ], + buttons : [ { + text : 'Save', + handler : function() { + addressEditForm.save(); + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }).show(); + + addressEditForm.load(); + } else if (item.text == "List") { + location.hash = "/proposal/addresses/nav"; + } + } + + return Ext.create('Ext.menu.Menu', { + items : [ + { + text : 'Add new', + icon : '../images/icon/add.png', + handler : onItemCheck + }, { + text : 'List', + icon : '../images/icon/ic_list_black_24dp.png', + handler : onItemCheck + } + ] }); + } + function getShipmentsMenu() { + var _this = this; + function onItemCheck(item, checked) { + if (item.text == "Add new") { + var shippingEditForm = new ShipmentEditForm(); + + shippingEditForm.onSaved.attach(function (sender, shipment) { + window.close(); + location.hash = "#/shipping/"+ shipment.shippingId +"/main" + }); + + var window = Ext.create('Ext.window.Window', { + title : 'Shipment', + height : 450, + width : 600, + modal : true, + layout : 'fit', + items : [ shippingEditForm.getPanel() ], + buttons : [ { + text : 'Save', + handler : function() { + shippingEditForm.saveShipment(); + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }).show(); + + shippingEditForm.load(); + } else if (item.text == "List") { + location.hash = "/proposal/shipping/nav"; + } + + } + + return Ext.create('Ext.menu.Menu', { + items : [ + { + text : 'Add new', + icon : '../images/icon/add.png', + handler : onItemCheck + }, { + text : 'List', + icon : '../images/icon/ic_list_black_24dp.png', + handler : onItemCheck + } + ] }); + } return { text : this._convertToHTMLWhiteSpan("Shipment"), cls : 'ExiSAXSMenuToolBar', // hidden : this.isHidden, - disabled : true, + disabled : false, menu : Ext.create('Ext.menu.Menu', { items : [ { @@ -97,12 +198,12 @@ MainMenu.prototype.getShipmentItem = function() { { text : 'Manage shipping addresses', icon : '../images/icon/contacts.png', - handler : onItemCheck + menu : getLabContactsMenu() }, { text : 'Shipments', icon : '../images/icon/shipping.png', - handler : onItemCheck + menu : getShipmentsMenu() } ] }) }; @@ -247,11 +348,11 @@ MainMenu.prototype.getLoginButton = function() { }; MainMenu.prototype.getPanel = function() { - var _this = this; + this.credentialsMenu = new Ext.menu.Menu({ - id : _this.id + "menu", - items : [_this.getAddCredentialMenu()] + id : this.id + "menu", + items : [this.getAddCredentialMenu()] }); var items = this.getMenuItems(); diff --git a/js/core/security/credentialmanager.js b/js/core/security/credentialmanager.js index ef43458b7..d7c27408d 100644 --- a/js/core/security/credentialmanager.js +++ b/js/core/security/credentialmanager.js @@ -86,7 +86,7 @@ CredentialManager.prototype.getBeamlines = function(){ * @param technique [MX, SAXS] * @return */ -CredentialManager.prototype.getBeamlinesByTechnique = function(technique){ +CredentialManager.prototype.getBeamlinesByTechnique = function(technique){ var connections = this.getConnections(); var beamlines = []; for (var i = 0; i < connections.length; i++) { diff --git a/js/core/view/addressmainview.js b/js/core/view/addressmainview.js index 3df77a083..9a8ae07f2 100644 --- a/js/core/view/addressmainview.js +++ b/js/core/view/addressmainview.js @@ -4,7 +4,7 @@ function AddressMainView() { MainView.call(this); - this.addressForm = new AddressForm(); + this.addressForm = new AddressForm({width : Ext.getBody().getWidth()*0.9}); this.onSelect = new Event(this); @@ -16,7 +16,7 @@ AddressMainView.prototype.getPanel = MainView.prototype.getPanel; AddressMainView.prototype.getContainer = function() { return Ext.create('Ext.container.Container', { layout: { - type: 'hbox' + type: 'fit' }, margin : 15, border: 1, diff --git a/js/core/view/managerwelcomemainview.js b/js/core/view/managerwelcomemainview.js index 659b334ab..d4bc14d5e 100644 --- a/js/core/view/managerwelcomemainview.js +++ b/js/core/view/managerwelcomemainview.js @@ -41,17 +41,18 @@ ManagerWelcomeMainView.prototype.getPanel = MainView.prototype.getPanel; */ ManagerWelcomeMainView.prototype.activeProposal = function(proposal) { - EXI.mainStatusBar.showBusy("Loading proposal " +proposal); + //EXI.mainStatusBar.showBusy("Loading proposal " +proposal); EXI.credentialManager.setActiveProposal(this.username, proposal); EXI.proposalManager.clear(); /** I don't need this to be synchronous **/ - EXI.proposalManager.onActiveProposalChanged = new Event(); + /*EXI.proposalManager.onActiveProposalChanged = new Event(); EXI.proposalManager.onActiveProposalChanged.attach(function(){ EXI.mainStatusBar.showReady(); - console.log(EXI.proposalManager.get()); + }); - EXI.proposalManager.get(); + + EXI.proposalManager.get();*/ }; diff --git a/js/core/view/shipping/a_spreadsheet.js b/js/core/view/shipping/a_spreadsheet.js new file mode 100644 index 000000000..4900ff417 --- /dev/null +++ b/js/core/view/shipping/a_spreadsheet.js @@ -0,0 +1,203 @@ +function SpreadSheet(args){ + this.id = BUI.id(); + this.height = 380; + this.width = 500; + this.containerType = "OTHER"; + + if (args != null) { + if (args.height != null) { + this.height = args.height; + } + if (args.width != null) { + this.width = args.width; + } + if (args.containerType != null) { + this.containerType = args.containerType; + } + } + +} + +SpreadSheet.prototype.getPanel = function(){ + var _this = this; + this.panel = Ext.create('Ext.panel.Panel', { + layout : 'vbox', + height : this.height+ 50, + items : [ + { + html : '
', + margin : '20 0 20 10', + height : this.height, + width : this.width, + autoScroll : true, + resizable : true + }] + }); + return this.panel; +}; + +SpreadSheet.prototype.setLoading = function (bool) { + this.panel.setLoading(bool); +} + +SpreadSheet.prototype.getAcronyms = function() { + var proteins = EXI.proposalManager.getProteins(); + var acronyms = []; + for (var i = 0; i < proteins.length; i++) { + acronyms.push(proteins[i].acronym); + } + return acronyms; +}; + +SpreadSheet.prototype.setContainerType = function(containerType) { + this.containerType = containerType; +}; + +SpreadSheet.prototype.getHeaderWidth = function() { + var header = this.getHeader(); + var text = []; + for (var i =0; i < header.length; i++){ + text.push(header[i].column.with); + } + return text; +}; + +SpreadSheet.prototype.getHeaderId = function(containerType) { + var header = this.getHeader(containerType); + var text = []; + for (var i =0; i < header.length; i++){ + text.push(header[i].id); + } + return text; +}; + +SpreadSheet.prototype.getHeaderText = function() { + var header = this.getHeader(); + var text = []; + for (var i =0; i < header.length; i++){ + text.push(header[i].text); + } + return text; +}; + + +SpreadSheet.prototype.getColumns = function() { + var columns = []; + for (var i = 0; i < this.getHeader().length; i++) { + columns.push(this.getHeader()[i].column); + } + return columns; +}; + +/** +* Returns an array of objects for each row in the grid where at least the protein acronym column is filled +* +* @method parseTableData +*/ +SpreadSheet.prototype.parseTableData = function() { + var parsed = []; + var data = this.spreadSheet.getData(); + // var columnIds = this.getHeaderId(); + if (data != null && data.length > 0){ + var columnIds = this.getHeaderId(); + for (var j = 0; j < data.length; j++) { + if (data[j].length > 1){ + var row = {}; + row["location"] = j + 1; + for (var k = 0 ; k < columnIds.length ; k++) { + var key = columnIds[k]; + var value = data[j][this.getColumnIndex(key)]; + row[key] = value; + } + if (row["Protein Acronym"]){ + if (row["Protein Acronym"].length > 0){ + parsed.push(row); + } + } + } + } + } + /** Curated contains the whole-data rows * */ + var curated = []; + for (var i = 0; i < parsed.length; i++) { + if (parsed[i]["Protein Acronym"] != null){ + curated.push(parsed[i]); + } + } + return curated; +}; + +SpreadSheet.prototype.load = function(data){ + var _this = this; + this.data = data; + var container = document.getElementById(this.id + '_samples'); + + this.spreadSheet = new Handsontable(container, { + data: data, + height : this.height, + width : this.width, + manualColumnResize: true, + colWidths: this.getHeaderWidth(), + colHeaders: this.getHeaderText(), + stretchH: 'last', + columns: this.getColumns(), + }); +}; + +SpreadSheet.prototype.getData = function () { + return this.spreadSheet.getData(); +} + +SpreadSheet.prototype.loadData = function (data) { + return this.spreadSheet.loadData(data); +} + +SpreadSheet.prototype.setDataAtCell = function (rowIndex, columnIndex, value) { + this.spreadSheet.setDataAtCell(rowIndex, columnIndex, value); +} + +/** +* Returns the columnIndex given the columnId +* +* @method getColumnIndex +* @param {Integer} colId The column Id of the column it's column index we want to know +* @param {String} containerType Optional value to use if we want the header for an specific containerType +*/ +SpreadSheet.prototype.getColumnIndex = function (colId) { + return _.findIndex(this.getHeader(),{id :colId}); +} + +/** +* Changes the number of rows in the grid +* +* @method updateNumberOfRows +* @param {Integer} n The new number of rows +*/ +SpreadSheet.prototype.updateNumberOfRows = function (n) { + if (this.spreadSheet) { + var data = this.spreadSheet.getData(); + //Sets the appropiate number of rows according to the capacity + if (data.length < n){ + for (var i = data.length + 1; i<= n; i++){ + data.push([i]); + } + } + else{ + data = data.slice(0, n); + } + this.spreadSheet.loadData(data); + } +} + +/** +* Sets an empty value for all the cells in a given row +* +* @method emptyRow +* @param {Integer} row The row index to be emptied +*/ +SpreadSheet.prototype.emptyRow = function (row) { + var columnIds = this.getHeaderId(); + for (var i = 1 ; i < columnIds.length ; i++) { + this.setDataAtCell(row,i,""); + } +} \ No newline at end of file diff --git a/js/core/view/shipping/addcontainerform.js b/js/core/view/shipping/addcontainerform.js new file mode 100644 index 000000000..540c24533 --- /dev/null +++ b/js/core/view/shipping/addcontainerform.js @@ -0,0 +1,109 @@ +function AddContainerForm(args) { + this.id = BUI.id(); + var _this = this; + + this.width = 600; + this.height = 200; + this.showTitle = true; + this.container = {}; + if (args != null) { + if (args.showTitle != null) { + this.showTitle = args.showTitle; + } + if (args.width != null) { + this.width = args.width; + } + if (args.height != null) { + this.height = args.height; + } + } + + this.containerTypeComboBox = new ContainerTypeComboBox({extraOptions : [{"type":"STOCK SOLUTION"},{"type":"OTHER", "capacity":1}]}); + this.stockSolutionsGrid = new StockSolutionsGrid({width : this.width*0.95}); + + this.containerTypeComboBox.onSelected.attach(function (sender,selection){ + _this.container = {}; + if (selection.type == "STOCK SOLUTION") { + _this.addStockSolutionsList(); + Ext.getCmp(_this.id + "-save-button").disable(); + } else { + if (_this.stockSolutionsGrid.panel){ + _this.panel.remove(_this.stockSolutionsGrid.panel); + } + Ext.getCmp(_this.id + "-save-button").enable(); + } + }); + + this.stockSolutionsGrid.onSelected.attach(function (sender, stockSolution) { + _this.container = stockSolution; + _this.container.containerType = "STOCK SOLUTION"; + Ext.getCmp(_this.id + "-save-button").enable(); + }); + + this.onSave = new Event(this); + this.onCancel = new Event(this); +} + +AddContainerForm.prototype.getPanel = function(dewar) { + this.panel = Ext.create('Ext.form.Panel', { + width : this.width - 10, + height : this.height, +// cls : 'border-grid', +// margin : 10, + padding : 10, + buttons : this.getButtons(), + items : [ { + xtype : 'container', + margin : "2 2 2 2", + collapsible : false, + defaultType : 'textfield', + layout : 'anchor', + items : [ { + xtype : 'container', + margin : '5 0 5 5', + layout : 'vbox', + items : [ { + xtype : 'textfield', + fieldLabel : 'Name', + name : 'code', + id : this.id + 'container_code', + labelWidth : 200, + width : 500 + } + ] + }, + this.containerTypeComboBox.getPanel() + ] + } ] + }); + return this.panel; +}; + +AddContainerForm.prototype.getButtons = function () { + var _this = this; + return [ { + text : 'Save', + id : this.id + "-save-button", + handler : function() { + _this.onSave.notify(_this.getContainer()); + } + }, { + text : 'Cancel', + handler : function() { + _this.onCancel.notify(); + } + } ] +} + +AddContainerForm.prototype.getContainer = function () { + this.container.code = Ext.getCmp(this.id + "container_code").getValue(); + this.container.containerType = this.containerTypeComboBox.getSelectedType(); + this.container.capacity = this.containerTypeComboBox.getSelectedCapacity(); + return this.container; +} + +AddContainerForm.prototype.addStockSolutionsList = function () { + var stockSolutions = _.filter(EXI.proposalManager.getStockSolutions(),{"boxId" : null}); + this.panel.insert(this.stockSolutionsGrid.getPanel()); + this.stockSolutionsGrid.load(stockSolutions); +} \ No newline at end of file diff --git a/js/core/view/shipping/containerspreadsheet.js b/js/core/view/shipping/containerspreadsheet.js index 3ee05f73e..a74407e89 100644 --- a/js/core/view/shipping/containerspreadsheet.js +++ b/js/core/view/shipping/containerspreadsheet.js @@ -1,175 +1,257 @@ function ContainerSpreadSheet(args){ this.id = BUI.id(); - this.height = 380; - this.width = 500; - if (args != null) { - if (args.height != null) { - this.height = args.height; - } - if (args.width != null) { - this.width = args.width; + SpreadSheet.call(this, args); + + this.renderCrystalFormColumn = false; + + if (args != null) { + if (args.renderCrystalFormColumn != null) { + this.renderCrystalFormColumn = args.renderCrystalFormColumn; } } + + this.crystalInfoToIdMap = {}; + + this.crystalFormIndex = -1; + // this.unitCellIndex = -1; + this.spaceGroupIndex = -1; this.onModified = new Event(this); + } -ContainerSpreadSheet.prototype.getPanel = function(){ +ContainerSpreadSheet.prototype.getPanel = SpreadSheet.prototype.getPanel; +ContainerSpreadSheet.prototype.setLoading = SpreadSheet.prototype.setLoading; +ContainerSpreadSheet.prototype.getAcronyms = SpreadSheet.prototype.getAcronyms; +ContainerSpreadSheet.prototype.getHeaderWidth = SpreadSheet.prototype.getHeaderWidth; +ContainerSpreadSheet.prototype.getHeaderId = SpreadSheet.prototype.getHeaderId; +ContainerSpreadSheet.prototype.getHeaderText = SpreadSheet.prototype.getHeaderText; +ContainerSpreadSheet.prototype.getColumns = SpreadSheet.prototype.getColumns; +ContainerSpreadSheet.prototype.parseTableData = SpreadSheet.prototype.parseTableData; +ContainerSpreadSheet.prototype.getData = SpreadSheet.prototype.getData; +ContainerSpreadSheet.prototype.loadData = SpreadSheet.prototype.loadData; +ContainerSpreadSheet.prototype.setDataAtCell = SpreadSheet.prototype.setDataAtCell; +ContainerSpreadSheet.prototype.getColumnIndex = SpreadSheet.prototype.getColumnIndex; +ContainerSpreadSheet.prototype.disableAll = SpreadSheet.prototype.disableAll; +ContainerSpreadSheet.prototype.setContainerType = SpreadSheet.prototype.setContainerType; +ContainerSpreadSheet.prototype.updateNumberOfRows = SpreadSheet.prototype.updateNumberOfRows; +ContainerSpreadSheet.prototype.emptyRow = SpreadSheet.prototype.emptyRow; + +ContainerSpreadSheet.prototype.load = function(puck){ var _this = this; - this.panel = Ext.create('Ext.panel.Panel', { - layout : 'vbox', - height : this.height+ 50, - items : [ - { - html : '
', - margin : '20 0 20 10', - height : this.height, - width : this.width, - autoScroll : true, - resizable : true - }] - }); - return this.panel; -}; + this.puck = puck; + var container = document.getElementById(this.id + '_samples'); + this.crystalFormIndex = this.getColumnIndex('Crystal Form'); + // this.unitCellIndex = this.getColumnIndex('Unit cell'); + this.spaceGroupIndex = this.getColumnIndex("Space Group"); + var data = this.getSamplesData(puck); + + function firstRowRenderer(instance, td, row, col, prop, value, cellProperties) { + Handsontable.renderers.TextRenderer.apply(this, arguments); + td.style.fontWeight = 'bold'; + td.style.color = 'green'; + td.style.fontSize = '9px'; + td.style.background = '#CEC'; + } + + function ValueRenderer(instance, td, row, col, prop, value, cellProperties) { + Handsontable.renderers.TextRenderer.apply(this, arguments); + if (!instance.getDataAtRow(row)[1]){ + td.style.background = '#EEE'; + return; + } + + if ((col == 2)){ + if (!value || value == '') { + td.className = 'custom-row-text-required'; + } + } + if (/*(col == _this.unitCellIndex) || */col == _this.spaceGroupIndex) { + td.style.background = '#EEE'; + } + } + + // maps function to lookup string + Handsontable.renderers.registerRenderer('ValueRenderer', ValueRenderer); + this.spreadSheet = new Handsontable(container, { + afterCreateRow: function (index, numberOfRows) { + data.splice(index, numberOfRows); + }, + beforeChange: function (changes, source) { + lastChange = changes; + }, + afterChange: function (changes, source) { + $(".htInvalid").removeClass("htInvalid"); + $(".edit-crystal-button").click(function(sender){ + var row = sender.target.id.split("-")[2]; + var crystal = _this.parseCrystalFormColumn(_this.getData()[row][_this.crystalFormIndex],row); + _this.showEditForm(crystal,row); + }); + if (source == "edit") { + if (changes) { + for (var i = 0 ; i < changes.length ; i++) { + var change = changes[i]; + if (change[2] != change[3]) { + _this.manageChange(change, source); + } + } + } + } else if (source == "autofill") { + if (changes){ + /**Get the direction of the autofill and manage the change following that direction*/ + var direction = Math.sign(changes[0][0] - _this.spreadSheet.getSelected()[0]); + if (direction == 1){ + for (var i = 0 ; i < changes.length ; i++) { + var change = changes[i]; + if (change[2] != change[3]) { + _this.manageChange(change, source, direction); + } + } + } else { + for (var i = changes.length - 1 ; i >= 0 ; i--) { + var change = changes[i]; + if (change[2] != change[3]) { + _this.manageChange(change, source, direction); + } + } + } + } + } + }, + data: data, + height : this.height, + width : this.width, + manualColumnResize: true, + colWidths: this.getHeaderWidth(), + colHeaders: this.getHeaderText(), + stretchH: 'last', + columns: this.getColumns(), + }); +}; +/** +* Returns an array of arrays for each sample in the given container up to the container's capacity ordered according to the grid +* +* @method getSamplesData +* @param {Object} puck The container which's samples are parsed +*/ ContainerSpreadSheet.prototype.getSamplesData = function(puck) { - var samples = puck.sampleVOs; - var data = []; - /** Sorting samples by location * */ - samples.sort(function(a,b){return Number(a.location) - Number(b.location);}); - function getSampleByLocation(samples, location){ - for (var i = 0; i < samples.length; i++) { - if (samples[i].location == Number(location)){ - return samples[i]; - } - } - } + var data = []; + var samples = puck.sampleVOs; + /** Sorting samples by location * */ + samples.sort(function(a,b){return Number(a.location) - Number(b.location);}); + function getSampleByLocation(samples, location){ + for (var i = 0; i < samples.length; i++) { + if (samples[i].location == Number(location)){ + return samples[i]; + } + } + } - function getValue(value){ - if (!value){return "";} + function getValue(value){ + if (!value){return "";} return value; - } - - for (var i = 0; i < puck.capacity; i++) { - var sample = getSampleByLocation(samples, i + 1); - if (sample!= null){ - var crystal = sample.crystalVO; - var protein = crystal.proteinVO; - var diffraction = sample.diffractionPlanVO; - if (diffraction == null){ - diffraction = {}; - } - data.push( - [(i+1), protein.acronym, sample.name, crystal.spaceGroup, diffraction.experimentKind, sample.code, getValue(diffraction["observedResolution"]), diffraction.requiredResolution, diffraction.preferredBeamDiameter, - diffraction.numberOfPositions, diffraction.radiationSensitivity, diffraction.requiredMultiplicity, diffraction.requiredCompleteness, - crystal.cellA, crystal.cellB, crystal.cellC, crystal.cellAlpha, crystal.cellBeta, crystal.cellGamma, sample.smiles, sample.comments - ] - ); - } - else{ - data.push([(i+1)]); - } - } + } + + for (var i = 0; i < puck.capacity; i++) { + var sample = getSampleByLocation(samples, i + 1); + if (sample!= null){ + var crystal = sample.crystalVO; + var protein = crystal.proteinVO; + var diffraction = sample.diffractionPlanVO; + if (diffraction == null){ + diffraction = {}; + } + data.push( + [ + // crystal.crystalId, + (i+1), + protein.acronym, sample.name, this.getCrystalInfo(crystal), diffraction.experimentKind, sample.code, getValue(diffraction["observedResolution"]), diffraction.requiredResolution, diffraction.preferredBeamDiameter, + diffraction.numberOfPositions, diffraction.radiationSensitivity, diffraction.requiredMultiplicity, diffraction.requiredCompleteness, + // this.getUnitCellInfo(crystal), + crystal.spaceGroup, sample.smiles, sample.comments + ] + ); + } + else{ + data.push([(i+1)]); + } + } return data; }; - -ContainerSpreadSheet.prototype.getSpaceGroups = function() { - return ["P1","P2","P21","C2","P222","P2221","P21212","P212121","C222","C2221","F222","I222","I212121","P4","P41","P42","P43","P422","P4212","P4122","P41212","P4222","P42212","P4322","P43212", - "I4","I41","I422","I4122","P3","P31","P32","P31","P321","P3112","P3121","P3212","P3221","P6","P61","P65","P62","P64","P63","P622","P6122","P6522","P6222","P6422","P6322","R3","R32","P23","P213", - "P432", "P4232","P4332","P4132","F23","F432","F4132","I23", "I213","I432","I4132", "UNKNOWN"]; -}; - - -ContainerSpreadSheet.prototype.getAcronyms = function() { - var proteins = EXI.proposalManager.getProteins(); - var acronyms = []; - for (var i = 0; i < proteins.length; i++) { - acronyms.push(proteins[i].acronym); - } - return acronyms; -}; - - ContainerSpreadSheet.prototype.getHeader = function() { - return [ - { text : '#', id: 'position', column : {width : 20}}, - { text :'Protein
Acronym', id :'Protein Acronym', column : { - width : 60, - type: 'dropdown', - source: this.getAcronyms() - } - }, - { text :'Sample
Name', id :'Sample Name', column : {width : 120}}, - { text :'Space
Group', id : 'Space Group',column : { - width : 90, - type: 'dropdown', - source: this.getSpaceGroups() - } - }, - { text :'Exp.
Type', id : 'Experiment Type', column : { - width : 80, - type: 'dropdown', - source: [ "Default", "MXPressE", "MXPressO", "MXPressI", "MXPressE_SAD", "MXScore", "MXPressM" ] - } - }, - { text :'Pin
BarCode', id : 'Pin BarCode', column : {width : 45}}, - { text :'Pre-observed
resolution', id : 'Pre-observed resolution', column : {width : 45}}, - { text :'Needed
resolution', id :'Needed resolution', column : {width : 45}}, - { text :'Pref.
Diameter', id :'Pref. Diameter',column : {width : 45}}, - { text :'Number Of
positions', id :'Number Of positions', column : {width : 45}}, - { text :'Radiation
Sensitivity', id :'Radiation Sensitivity', column : {width : 60}}, - { text :'Required
multiplicity', id :'Required multiplicity', column : {width : 60}}, - { text :'Required
Completeness', id :'Required Completeness', column : {width : 60}}, - { text :'A', id :'Unit cell A', column : {width : 40}}, - { text :'B', id :'Unit cell B', column : {width : 40}}, - { text :'C', id : 'Unit cell C', column : {width : 40}}, - { text :'α', id :'Unit cell Alpha', column : {width : 40}}, - { text :'β', id :'Unit cell Beta', column : {width : 40}}, - { text :'γ', id :'Unit cell Gamma', column : {width : 40}}, - { text :'Smiles', id :'Required Completeness', column : {width : 45}}, - { text :'Comments', id :'Comments', column : {width : 45}} - ]; -}; - -ContainerSpreadSheet.prototype.getHeaderWidth = function() { - var header = this.getHeader(); - var text = []; - for (var i =0; i < header.length; i++){ - text.push(header[i].column.with); - } - return text; -}; - -ContainerSpreadSheet.prototype.getHeaderId = function() { - var header = this.getHeader(); - var text = []; - for (var i =0; i < header.length; i++){ - text.push(header[i].id); + var _this = this; + var header = []; + var disabledRenderer = function(instance, td, row, col, prop, value, cellProperties){ + if (value != undefined){ + td.innerHTML = value; + } + td.style.background = '#DDD'; } - return text; -}; - -ContainerSpreadSheet.prototype.getHeaderText = function() { - var header = this.getHeader(); - var text = []; - for (var i =0; i < header.length; i++){ - text.push(header[i].text); + var editCrystalFormRenderer = function(instance, td, row, col, prop, value, cellProperties){ + if (value != undefined){ + td.innerHTML = value; + } } - return text; -}; + header = [ + // { text :'', id :'crystalId', column : {width : 100}}, + { text : '#', id: 'position', column : {width : 20}}, + { text :'Protein
Acronym', id :'Protein Acronym', column : { + width : 80, + type: 'dropdown', + source: this.getAcronyms() + } + }, + { text :'Sample
Name', id :'Sample Name', column : {width : 120}}, + { text :'Crystal
Form', id : 'Crystal Form',column : { + width : 250, + type: 'dropdown', + source: function(query, process) { + var colIndex = _this.getColumnIndex("Protein Acronym"); + var protein = EXI.proposalManager.getProteinByAcronym(this.instance.getDataAtCell(this.row,colIndex)); + if (protein.length > 0){ + process(_this.getCrystalInfoByProtein(protein[0])); + } else { + process([]); + } + } + } + }, + { text :'Exp.
Type', id : 'Experiment Type', column : { + width : 80, + type: 'dropdown', + source: [ "Default", "MXPressE", "MXPressO", "MXPressI", "MXPressE_SAD", "MXScore", "MXPressM" ] + } + }, + { text :'Pin
BarCode', id : 'Pin BarCode', column : {width : 60}}, + { text :'Pre-observed
resolution', id : 'Pre-observed resolution', column : {width : 80}}, + { text :'Needed
resolution', id :'Needed resolution', column : {width : 60}}, + { text :'Pref.
Diameter', id :'Pref. Diameter',column : {width : 60}}, + { text :'Number of
positions', id :'Number Of positions', column : {width : 80}}, + { text :'Radiation
Sensitivity', id :'Radiation Sensitivity', column : {width : 80}}, + { text :'Required
multiplicity', id :'Required multiplicity', column : {width : 60}}, + { text :'Required
Completeness', id :'Required Completeness', column : {width : 80}}, + // { text :'Unit Cell', id :'Unit cell', column : {width : 150, renderer: disabledRenderer, editor : false, readOnly: true}}, + { text :'Space
Group', id :'Space Group', column : {width : 55, renderer: disabledRenderer, editor : false, readOnly: true}}, + { text :'Smiles', id :'Smiles', column : {width : 140}}, + { text :'Comments', id :'Comments', column : {width : 200}} + ]; + if (this.renderCrystalFormColumn) { + header.push({ text :'Edit Crystal Form', id :'editCrystalForm', column : {width : 200, renderer: editCrystalFormRenderer, editor : false, readOnly: true}}); + } -ContainerSpreadSheet.prototype.getColumns = function() { - var columns = []; - for (var i = 0; i < this.getHeader().length; i++) { - columns.push(this.getHeader()[i].column); - } - return columns; + return header; }; +/** +* Returns a puck object with the corresponding samples from the grid +* +* @method getPuck +*/ ContainerSpreadSheet.prototype.getPuck = function() { var myPuck = JSON.parse(JSON.stringify(this.puck)); var rows = this.parseTableData(); @@ -181,7 +263,6 @@ ContainerSpreadSheet.prototype.getPuck = function() { return _.filter(samples, function(b){return b.location == rows[i].location;} ); } for (var i = 0; i < rows.length; i++) { - var sample = {}; var sampleByLocation = filterByLocation(myPuck.sampleVOs); if (sampleByLocation.length > 0){ @@ -190,6 +271,7 @@ ContainerSpreadSheet.prototype.getPuck = function() { } sample["name"] = rows[i]["Sample Name"]; + sample["Dewar_barCode"] = rows[i]["Pin BarCode"]; sample["smiles"] = rows[i]["Smiles"]; sample["location"]= rows[i]["location"]; sample["comments"] = rows[i]["Comments"]; @@ -207,13 +289,14 @@ ContainerSpreadSheet.prototype.getPuck = function() { sample["crystalVO"]["proteinVO"] = proteins[0]; } } - sample["crystalVO"]["spaceGroup"] = rows[i]["Space Group"]; - sample["crystalVO"]["cellA"] = Number(rows[i]["Unit cell A"]); - sample["crystalVO"]["cellB"] = Number(rows[i]["Unit cell B"]); - sample["crystalVO"]["cellC"] = Number(rows[i]["Unit cell C"]); - sample["crystalVO"]["cellAlpha"] = Number(rows[i]["Unit cell Alpha"]); - sample["crystalVO"]["cellBeta"] = Number(rows[i]["Unit cell Beta"]); - sample["crystalVO"]["cellGamma"] = Number(rows[i]["Unit cell Gamma"]); + var crystal = this.parseCrystalFormColumn(rows[i]["Crystal Form"],i); + sample["crystalVO"]["spaceGroup"] = (crystal.spaceGroup) ? crystal.spaceGroup : ""; + sample["crystalVO"]["cellA"] = crystal.cellA; + sample["crystalVO"]["cellB"] = crystal.cellB; + sample["crystalVO"]["cellC"] = crystal.cellC; + sample["crystalVO"]["cellAlpha"] = crystal.cellAlpha; + sample["crystalVO"]["cellBeta"] = crystal.cellBeta; + sample["crystalVO"]["cellGamma"] = crystal.cellGamma; sample["diffractionPlanVO"] = {}; sample["diffractionPlanVO"]["radiationSensitivity"]= Number(rows[i]["Radiation Sensitivity"]); @@ -232,87 +315,307 @@ ContainerSpreadSheet.prototype.getPuck = function() { return myPuck; }; +ContainerSpreadSheet.prototype.setRenderCrystalFormColumn = function(bool) { + this.renderCrystalFormColumn = bool; +}; -ContainerSpreadSheet.prototype.parseTableData = function() { - var parsed = []; - var data = this.spreadSheet.getData(); - for (var j = 0; j < data.length; j++) { - var row = {}; - row["location"] = j + 1; - for (var k = 0; k < data[j].length; k++) { - var key = this.getHeaderId()[k]; - var value = data[j][k]; - row[key] = value; +/** +* Returns an object containing the crystal information given the value at the crystal form column +* +* @method parseCrystalFormColumn +* @param {String} dataAtCrystalFormColumn The string containing the information with the space group and the cell values +* @param {Integer} row The corresponding row +*/ +ContainerSpreadSheet.prototype.parseCrystalFormColumn = function (dataAtCrystalFormColumn,row) { + var parsed = { + spaceGroup : null, + cellA : null, + cellB : null, + cellC : null, + cellAlpha : null, + cellBeta : null, + cellGamma : null + }; + if (dataAtCrystalFormColumn != "" && dataAtCrystalFormColumn != null){ + var proteins = EXI.proposalManager.getProteinByAcronym(this.spreadSheet.getDataAtCell(row,this.getColumnIndex("Protein Acronym"))); + if (proteins && proteins.length > 0) { + parsed.proteinVO = proteins[0]; + } + if (dataAtCrystalFormColumn == "NEW") { + parsed.spaceGroup = "NEW"; + parsed.crystalId = ""; + } else { + if (this.crystalInfoToIdMap[dataAtCrystalFormColumn]){ + parsed.crystalId = this.crystalInfoToIdMap[dataAtCrystalFormColumn]; + } else { + this.getCrystalInfoByProtein(proteins[0]); + parsed.crystalId = this.crystalInfoToIdMap[dataAtCrystalFormColumn]; + } + var splitted = dataAtCrystalFormColumn.split("-"); + parsed.spaceGroup = splitted[0].trim(); + if (splitted.length > 1){ + var cells = (splitted[1] + "-" + splitted[2]).trim().replace(/[{()}]/g, '').replace(/\s+/g,"");; + parsed.cellA = (cells.split("-")[0].split(",")[0] == "null")? null : cells.split("-")[0].split(",")[0]; + parsed.cellB = (cells.split("-")[0].split(",")[1] == "null")? null : cells.split("-")[0].split(",")[1]; + parsed.cellC = (cells.split("-")[0].split(",")[1] == "null")? null : cells.split("-")[0].split(",")[2]; + parsed.cellAlpha = (cells.split("-")[1].split(",")[0] == "null")? null : cells.split("-")[1].split(",")[0]; + parsed.cellBeta = (cells.split("-")[1].split(",")[1] == "null")? null : cells.split("-")[1].split(",")[1]; + parsed.cellGamma = (cells.split("-")[1].split(",")[2] == "null")? null : cells.split("-")[1].split(",")[2]; + } else { + parsed.cellA = 0; + parsed.cellB = 0; + parsed.cellC = 0; + parsed.cellAlpha = 0; + parsed.cellBeta = 0; + parsed.cellGamma = 0; } - if (row["Protein Acronym"]){ - if (row["Protein Acronym"].length > 0){ - parsed.push(row); + } + } + return parsed; +}; + +/** +* Returns an string of the form [spaceGroup - (cellA : cellB : cellC | cellAlpha : cellBeta : cellGamma)] +* +* @method getCrystalInfo +* @param {Object} crystal The crystal used to extract the values +*/ +ContainerSpreadSheet.prototype.getCrystalInfo = function (crystal) { + try { + if (crystal.cellA == null) { + return crystal.spaceGroup + " - undefined"; + } else if (crystal.cellA == 0 && crystal.cellB == 0 && crystal.cellC == 0 && crystal.cellAlpha == 0 && crystal.cellBeta == 0 && crystal.cellGamma == 0 ){ + return crystal.spaceGroup + } + return crystal.spaceGroup + " - (" + crystal.cellA + " , " + crystal.cellB + " , " + crystal.cellC + " - " + crystal.cellAlpha + " , " + crystal.cellBeta + " , " + crystal.cellGamma + ")"; + } catch (e) { + return ""; + } +}; + +ContainerSpreadSheet.prototype.getUnitCellInfo = function (crystal) { + var html = ""; + dust.render("shipping.edit.form.unit.cell.template", crystal, function(err,out){ + html = out; + }); + return html; +}; + +ContainerSpreadSheet.prototype.showEditForm = function (crystal, row) { + var _this = this; + + /** Check if other samples share this crystal form */ + + var editCrystalForm = new EditCrystalFormView(); + + editCrystalForm.onSaved.attach(function (sender, crystal) { + var rows = _this.parseTableData(); + _this.updateCrystalGroup(row,crystal); + for (var i = 0; i < rows.length; i++) { + if (rows[i].location-1 != row){ + if (_this.crystalInfoToIdMap[rows[i]["Crystal Form"]] == crystal.crystalId){ + _this.updateCrystalGroup(rows[i].location-1,crystal); } } + } + window.close(); + }); + + var window = Ext.create('Ext.window.Window', { + title : 'Crystal Form', + height : 460, + width : 600, + modal : true, + closable : false, + layout : 'fit', + items : [ editCrystalForm.getPanel() ], + buttons : [ { + text : 'Save', + handler : function() { + editCrystalForm.save(); + } + }, { + text : 'Cancel', + handler : function() { + if (crystal.spaceGroup == "NEW"){ + _this.resetCrystalGroup(row); + } + window.close(); + } + } ] + }).show(); + + editCrystalForm.load(crystal); +}; + +ContainerSpreadSheet.prototype.addEditCrystalFormButton = function (row, column) { + if (!column) { + column = this.getColumnIndex("editCrystalForm"); } - - /** Curated contains the whole-data rows * */ - var curated = []; - for (var i = 0; i < parsed.length; i++) { - if (parsed[i]["Protein Acronym"] != null){ - curated.push(parsed[i]); + var button = " Edit Crystal Form"; + this.setDataAtCell(row,column,button); +}; + +ContainerSpreadSheet.prototype.updateCrystalGroup = function (row, crystal) { + if (crystal) { + this.setDataAtCell(row,this.crystalFormIndex,this.getCrystalInfo(crystal)); + // this.setDataAtCell(row,this.unitCellIndex,this.getUnitCellInfo(crystal)); + this.setDataAtCell(row,this.spaceGroupIndex,crystal.spaceGroup); + // this.setDataAtCell(row,0,crystal.crystalId); //crystal Id column + this.addEditCrystalFormButton(row); + } else { + this.resetCrystalGroup(row); + } +}; + +ContainerSpreadSheet.prototype.resetCrystalGroup = function (row) { + this.setDataAtCell(row,this.crystalFormIndex,""); + // this.setDataAtCell(row,this.unitCellIndex,""); + this.setDataAtCell(row,this.spaceGroupIndex,""); + // this.setDataAtCell(row,0,""); + this.setDataAtCell(row,this.getColumnIndex("editCrystalForm"),""); +}; + +ContainerSpreadSheet.prototype.disableAll = function () { + this.spreadSheet.updateSettings({ + readOnly: true + }); +}; + +/** +* Method executed when a change is made on the spreadSheet. It manages the process when the crystal form or the protein acronym are changed +* +* @method manageChange +* @param {Array} change The change made to the spreadSheet as an array of the form [row, column, prevValue, newValue] +* @param {String} source The kind of change. Can be "edit" or "autofill" +* @param {Integer} direction In case of the source being autofill, this parameter indicates the direction of it +*/ +ContainerSpreadSheet.prototype.manageChange = function (change, source, direction){ + switch (change[1]) { //Column Index + case this.crystalFormIndex : { + var parsed = this.parseCrystalFormColumn(change[3],change[0]); // parseCrystalFormColumn(dataAtCrystalFormColumn,row) + if (parsed.spaceGroup != undefined){ + if (parsed.spaceGroup == "NEW"){ + this.showEditForm(parsed, change[0]); + } else { + if (this.isCrystalFormAvailable(parsed,this.getData()[change[0]][this.getColumnIndex("Protein Acronym")])){ + this.updateCrystalGroup(change[0],parsed); + } else { + this.resetCrystalGroup(change[0]); + } + } + } else { + this.resetCrystalGroup(change[0]); + } + break; + } + case this.getColumnIndex("Protein Acronym") : { + if (change[3] == ""){ + this.emptyRow(change[0]); + } else { + /**Manage the sample name column */ + if (change[0] > 0){ + var colIdx = this.getColumnIndex("Sample Name"); + var currentName = this.spreadSheet.getDataAtCell(change[0],colIdx); + if (currentName == undefined || currentName == "") { + var nameSampleAbove = this.spreadSheet.getDataAtCell(change[0] - 1, colIdx); + if (nameSampleAbove != null && nameSampleAbove != "") { + var autoincremented = this.autoIncrement(nameSampleAbove, 1); + if (autoincremented != "") { + this.setDataAtCell(change[0],colIdx,autoincremented); + } + } + } + } + /**Manage the crystal form column */ + var parsed = this.parseCrystalFormColumn(this.getData()[change[0]][this.crystalFormIndex],change[0]); // parseCrystalFormColumn(dataAtCrystalFormColumn,row) + if (!this.isCrystalFormAvailable(parsed,change[3])){ + this.resetCrystalGroup(change[0]); + var proteins = EXI.proposalManager.getProteinByAcronym(change[3]); + if (proteins) { + var crystalsByProteinId = _.filter(EXI.proposalManager.getCrystals(),function(o) {return o.proteinVO.proteinId == proteins[0].proteinId;}); + if (crystalsByProteinId && crystalsByProteinId.length > 0){ + var crystal = _.maxBy(crystalsByProteinId,"crystalId"); + this.updateCrystalGroup(change[0],crystal); + } + } + } + } + break; + } + case this.getColumnIndex("Sample Name") : { + if (source == "autofill" && change[3] != ""){ + var autoincremented = this.autoIncrement(this.spreadSheet.getDataAtCell(change[0] - direction, change[1]), direction); + if (autoincremented != "") { + this.setDataAtCell(change[0],change[1],autoincremented); + } + } + break; } } - - return curated; + if (change[1] != this.getColumnIndex("editCrystalForm")){ + this.onModified.notify(change); + } + $(".htInvalid").removeClass("htInvalid"); }; -ContainerSpreadSheet.prototype.load = function(puck){ - this.puck = puck; - var container = document.getElementById(this.id + '_samples'); - - function firstRowRenderer(instance, td, row, col, prop, value, cellProperties) { - Handsontable.renderers.TextRenderer.apply(this, arguments); - td.style.fontWeight = 'bold'; - td.style.color = 'green'; - td.style.fontSize = '9px'; - td.style.background = '#CEC'; - } - - function ValueRenderer(instance, td, row, col, prop, value, cellProperties) { - Handsontable.renderers.TextRenderer.apply(this, arguments); - if (!instance.getDataAtRow(row)[1]){ - td.style.background = '#EEE'; - return; - } - - if ((col == 2)){ - if (!value || value == '') { - td.className = 'custom-row-text-required'; - } - } - } - // maps function to lookup string - Handsontable.renderers.registerRenderer('ValueRenderer', ValueRenderer); - var _this = this; - this.spreadSheet = new Handsontable(container, { - beforeChange: function (changes, source) { - lastChange = changes; - - }, - data: this.getSamplesData(puck), - - height : this.height, - width : this.width, - manualColumnResize: true, - colWidths: this.getHeaderWidth(), - colHeaders: this.getHeaderText(), - stretchH: 'last', - columns: this.getColumns() - }); +/** +* Returns an autoincremented string +* +* @method autoIncrement +* @param {String} value The string to be incremented +* @param {Integer} direction The direction on which the string is going to be incremented +*/ +ContainerSpreadSheet.prototype.autoIncrement = function (value, direction) { + var autoincremented = ""; + var regex = /(\d+)/g; + var numbers = value.match(regex); + if (numbers) { + var lastNumber = numbers[numbers.length - 1]; + /**Check if there are any other characters after the last number */ + if (value.lastIndexOf(lastNumber) == value.length - lastNumber.length) { + autoincremented = value.substring(0,value.length - lastNumber.length) + (parseInt(lastNumber) + direction); + } + } + return autoincremented; +} - - /*this.spreadSheet.updateSettings({ - afterChange: function (changes, source) { - _this.onModified.notify(_this.getPuck()); - - } - });*/ - - +/** +* Returns true if the parseCrystalForm is available for the given proteinAcronym +* +* @method isCrystalFormAvailable +* @param {Object} parsedCrystalForm A parsed crystal form object +* @param {String} proteinAcronym The proteinAcronym +*/ +ContainerSpreadSheet.prototype.isCrystalFormAvailable = function (parsedCrystalForm, proteinAcronym) { + var crystalsBySpaceGroupAndAcronym = _.filter(_.filter(EXI.proposalManager.getCrystals(),{"spaceGroup":parsedCrystalForm.spaceGroup}),function(o){return o.proteinVO.acronym == proteinAcronym}) + if (crystalsBySpaceGroupAndAcronym.length > 0) { + for (var i = 0 ; i < crystalsBySpaceGroupAndAcronym.length ; i++) { + var crystal = crystalsBySpaceGroupAndAcronym[i]; + if (crystal.cellA == parsedCrystalForm.cellA && crystal.cellB == parsedCrystalForm.cellB && crystal.cellC == parsedCrystalForm.cellC && crystal.cellAlpha == parsedCrystalForm.cellAlpha && crystal.cellBeta == parsedCrystalForm.cellBeta && crystal.cellGamma == parsedCrystalForm.cellGamma) { + return true; + } + } + } + return false; +}; + +/** +* Loads the crystal info to ud map and returns an array of cystal info given a protein +* +* @method getCrystalInfoByProtein +* @param {Object} protein The protein the crystals must be linked to +* @return {Array} Returns an array of strings with the crystal info to be loaded on the Crystal Form column +*/ +ContainerSpreadSheet.prototype.getCrystalInfoByProtein = function (protein) { + var src = []; + var crystalsByProteinId = _.filter(EXI.proposalManager.getCrystals(),function(o) {return o.proteinVO.proteinId == protein.proteinId;}); + if (crystalsByProteinId) { + for (var i = 0 ; i < crystalsByProteinId.length ; i++){ + var crystalInfo = this.getCrystalInfo(crystalsByProteinId[i]); + this.crystalInfoToIdMap[crystalInfo] = crystalsByProteinId[i].crystalId; + src.push(crystalInfo); + } + } + return _.union(src,["NEW"]); }; \ No newline at end of file diff --git a/js/core/view/shipping/crystalformview.js b/js/core/view/shipping/crystalformview.js new file mode 100644 index 000000000..f89f3afa1 --- /dev/null +++ b/js/core/view/shipping/crystalformview.js @@ -0,0 +1,94 @@ +function CrystalFormView (args) { + this.id = BUI.id(); + this.padding = 20; + this.containerId = 0; + + if (args != null) { + if (args.padding != null) { + this.padding = args.padding; + } + if (args.containerId != null) { + this.containerId = args.containerId; + } + } + + this.uploaderWidget = new UploaderWidget(); +} + + + +CrystalFormView.prototype.getPanel = function(){ + var _this = this; + + this.panel = Ext.create('Ext.panel.Panel', { + buttons : this.getToolBar(), + items : [ + { + html : '
', + }, + this.uploaderWidget.getForm(), + { + xtype : 'button', + margin: '0 0 0 2', + text: 'Test', + handler: function() { + window.open('#/shipping/edv','_newtab'); + // var edv = new ElectronDensityViewer(); + // var window = Ext.create('Ext.window.Window', { + // title: 'Elecyton Density Viewer', + // height: Ext.getBody().getHeight() - 100, + // width: Ext.getBody().getWidth() - 100, + // modal : true, + // resizable : true, + // layout: 'fit', + // items: edv.getPanel() + // }).show(); + } + } + ] + }); + + return this.panel; +}; + +CrystalFormView.prototype.getToolBar = function() { + var _this = this; + return [ + { + text: 'Return to shipment', + width : 200, + height : 30, + handler : function () { + location.href = "#/shipping/" + _this.shippingId + "/main"; + } + } + ]; +}; + +CrystalFormView.prototype.load = function(containerId, sampleId, shippingId){ + var _this = this; + this.containerId = containerId; + this.sampleId = sampleId; + this.shippingId = shippingId; + this.panel.setTitle("Shipment"); + + var onSuccess = function (sender, puck) { + if (puck){ + var filtered = _.filter(puck.sampleVOs,function (o) {return o.blSampleId == _this.sampleId}); + if (filtered.length > 0) { + _this.sample = filtered[0]; + + var html = ""; + dust.render("crystal.form.template", _this.sample, function(err, out) { + html = html + out; + }); + + $('#' + _this.id).hide().html(html).fadeIn('fast'); + $('#' + _this.id).css("padding",_this.padding); + _this.panel.doLayout(); + } + } + } + + EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.getContainerById(this.containerId,this.containerId,this.containerId); +}; \ No newline at end of file diff --git a/js/core/view/shipping/editcrystalformview.js b/js/core/view/shipping/editcrystalformview.js new file mode 100644 index 000000000..47bef5f8e --- /dev/null +++ b/js/core/view/shipping/editcrystalformview.js @@ -0,0 +1,200 @@ +function EditCrystalFormView (args) { + this.id = BUI.id(); + + this.width = 600; + this.height = 500; + this.showTitle = true; + if (args != null) { + if (args.showTitle != null) { + this.showTitle = args.showTitle; + } + if (args.width != null) { + this.width = args.width; + } + if (args.height != null) { + this.height = args.height; + } + } + + this.onSaved = new Event(this); +}; + +EditCrystalFormView.prototype.getPanel = function() { + + this.panel = Ext.create("Ext.panel.Panel",{ + items : [{ + html : '
', + autoScroll : false, + padding : this.padding, + width : this.width, + }] + }); + + return this.panel; +}; + +EditCrystalFormView.prototype.load = function(crystal) { + var _this = this; + this.crystal = crystal; + if (crystal.crystalId != null){ + if (crystal.crystalId != "") { + var onSuccess = function (sender, crystalById) { + _this.crystal = crystalById; + _this.render(); + } + EXI.getDataAdapter({onSuccess:onSuccess}).mx.crystal.getCrystalById(crystal.crystalId); + } else { + this.render(); + } + } else { + $('#' + this.id).hide().html("

There was an error loading the crystal

").fadeIn('fast'); + this.panel.doLayout(); + } +} + +EditCrystalFormView.prototype.render = function () { + var _this = this; + this.crystal.spaceGroups = ExtISPyB.spaceGroups; + this.crystal.id = this.id; + var html = ""; + + dust.render("crystal.edit.form.template", this.crystal, function(err, out){ + html = out; + }); + + $('#' + this.id).hide().html(html).fadeIn('fast'); + this.panel.doLayout(); + + $('#' + this.id + "-space-group").on('change', function() { + _this.setCellValuesBySpaceGroup(this.value); + }); + + this.setCellValuesBySpaceGroup($('#' + this.id + "-space-group").val()); + +}; + +EditCrystalFormView.prototype.save = function () { + var _this = this; + var crystal = { + spaceGroup : $("#" + this.id + "-space-group").val(), + cellA : $("#" + this.id + "-cellA").val(), + cellB : $("#" + this.id + "-cellB").val(), + cellC : $("#" + this.id + "-cellC").val(), + cellAlpha : $("#" + this.id + "-cellAlpha").val(), + cellBeta : $("#" + this.id + "-cellBeta").val(), + cellGamma : $("#" + this.id + "-cellGamma").val(), + name : $("#" + this.id + "-name").val(), + comments : $("#" + this.id + "-comments").val() + }; + + if (crystal.cellA != "" && crystal.cellB != "" && crystal.cellC != "") { + this.panel.setLoading(); + var onSaved = function (sender, newCrystal) { + EXI.proposalManager.get(true); + _this.onSaved.notify(newCrystal); + _this.panel.setLoading(false); + } + + EXI.getDataAdapter({onSuccess : onSaved}).mx.crystal.save(this.crystal.proteinVO.proteinId, this.crystal.crystalId, + crystal.name, crystal.spaceGroup, crystal.cellA, crystal.cellB, crystal.cellC, + crystal.cellAlpha, crystal.cellBeta, crystal.cellGamma, crystal.comments); + } else { + $("#" + this.id + "-cellsABC").notify("The values A, B and C must be filled",{className:"error"}); + } +}; + +EditCrystalFormView.prototype.setCellValuesBySpaceGroup = function (spaceGroup) { + var _this = this; + var onSuccess = function (sender, geometryClass) { + var alpha = ""; + var beta = ""; + var gamma = ""; + if (geometryClass && geometryClass.length > 0 && geometryClass[0].geometryClassnameVO){ + switch (geometryClass[0].geometryClassnameVO.geometryClassname){ + case "Primitive triclinic": + break; + case "Primitive monoclinic": + alpha = 90; + gamma = 90; + break; + case "Centred monoclinic": + alpha = 90; + gamma = 90; + break; + case "Primitive orthohombic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "C-centred orthohombic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "I-centred orthohombic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "F-centred orthohombic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "Primitive tetragonal": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "I-centred tetragonal": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "Primitive trigonal": + alpha = 90; + beta = 90; + gamma = 120; + break; + case "Primitive hexagonal": + alpha = 90; + beta = 90; + gamma = 120; + break; + case "Rhombohedral": + alpha = 90; + beta = 90; + gamma = 120; + break; + case "Primitive cubic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "I-centred cubic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "F-centred cubic": + alpha = 90; + beta = 90; + gamma = 90; + break; + } + _this.manageCellValueUpdate("#" + _this.id + "-cellAlpha", alpha); + _this.manageCellValueUpdate("#" + _this.id + "-cellBeta", beta); + _this.manageCellValueUpdate("#" + _this.id + "-cellGamma", gamma); + } + } + EXI.getDataAdapter({onSuccess : onSuccess}).mx.crystal.getGeometryclassBySpacegroup(spaceGroup); +} + +EditCrystalFormView.prototype.manageCellValueUpdate = function (id, value) { + if (value != "") { + $(id).prop('disabled', true); + $(id).val(value); + } else { + $(id).prop('disabled', false); + } +} \ No newline at end of file diff --git a/js/core/view/shipping/genericcontainerspreadsheet.js b/js/core/view/shipping/genericcontainerspreadsheet.js new file mode 100644 index 000000000..96534c271 --- /dev/null +++ b/js/core/view/shipping/genericcontainerspreadsheet.js @@ -0,0 +1,154 @@ +function GenericContainerSpreadSheet(args){ + this.id = BUI.id(); + SpreadSheet.call(this, args); +} + +GenericContainerSpreadSheet.prototype.getPanel = SpreadSheet.prototype.getPanel; +GenericContainerSpreadSheet.prototype.setLoading = SpreadSheet.prototype.setLoading; +GenericContainerSpreadSheet.prototype.getAcronyms = SpreadSheet.prototype.getAcronyms; +GenericContainerSpreadSheet.prototype.getHeaderWidth = SpreadSheet.prototype.getHeaderWidth; +GenericContainerSpreadSheet.prototype.getHeaderId = SpreadSheet.prototype.getHeaderId; +GenericContainerSpreadSheet.prototype.getHeaderText = SpreadSheet.prototype.getHeaderText; +GenericContainerSpreadSheet.prototype.getColumns = SpreadSheet.prototype.getColumns; +GenericContainerSpreadSheet.prototype.parseTableData = SpreadSheet.prototype.parseTableData; +GenericContainerSpreadSheet.prototype.getData = SpreadSheet.prototype.getData; +GenericContainerSpreadSheet.prototype.loadData = SpreadSheet.prototype.loadData; +GenericContainerSpreadSheet.prototype.setDataAtCell = SpreadSheet.prototype.setDataAtCell; +GenericContainerSpreadSheet.prototype.getColumnIndex = SpreadSheet.prototype.getColumnIndex; +GenericContainerSpreadSheet.prototype.disableAll = SpreadSheet.prototype.disableAll; +GenericContainerSpreadSheet.prototype.setContainerType = SpreadSheet.prototype.setContainerType; +GenericContainerSpreadSheet.prototype.updateNumberOfRows = SpreadSheet.prototype.updateNumberOfRows; +GenericContainerSpreadSheet.prototype.emptyRow = SpreadSheet.prototype.emptyRow; + + +GenericContainerSpreadSheet.prototype.load = function(container){ + var _this = this; + this.container = container; + var domElement = document.getElementById(this.id + '_samples'); + var data = this.getSamplesData(container); + + function firstRowRenderer(instance, td, row, col, prop, value, cellProperties) { + Handsontable.renderers.TextRenderer.apply(this, arguments); + td.style.fontWeight = 'bold'; + td.style.color = 'green'; + td.style.fontSize = '9px'; + td.style.background = '#CEC'; + } + + function ValueRenderer(instance, td, row, col, prop, value, cellProperties) { + Handsontable.renderers.TextRenderer.apply(this, arguments); + if (!instance.getDataAtRow(row)[1]){ + td.style.background = '#EEE'; + return; + } + + if ((col == 2)){ + if (!value || value == '') { + td.className = 'custom-row-text-required'; + } + } + if ((col == _this.unitCellIndex) || col == _this.spaceGroupIndex) { + td.style.background = '#EEE'; + } + } + + + // maps function to lookup string + Handsontable.renderers.registerRenderer('ValueRenderer', ValueRenderer); + this.spreadSheet = new Handsontable(domElement, { + afterCreateRow: function (index, numberOfRows) { + data.splice(index, numberOfRows); + }, + beforeChange: function (changes, source) { + lastChange = changes; + }, + data: data, + + height : this.height, + width : this.width, + manualColumnResize: true, + colWidths: this.getHeaderWidth(), + colHeaders: this.getHeaderText(), + stretchH: 'last', + columns: this.getColumns(), + }); +}; + +/** +* Returns an array of arrays for each sample in the given container up to the container's capacity ordered according to the grid +* +* @method getSamplesData +* @param {Object} container The container which's samples are parsed +*/ +GenericContainerSpreadSheet.prototype.getSamplesData = function(container) { + var data = []; + for (var i = 0; i < container.capacity; i++) { + if (container.samples){ + if (i < container.samples.length){ + var sample = container.samples[i]; + data.push( + [(i+1),sample.Protein_acronym, sample.BLSample_name, sample.BLSample_comments] + ); + } else { + data.push([(i+1)]); + } + } else { + data.push([(i+1)]); + } + } + + return data; +} + +GenericContainerSpreadSheet.prototype.getHeader = function() { + var header = []; + header = [{ text : '#', id: 'position', column : {width : 20}}, + { text :'Samplesheet
Acronym', id :'Protein Acronym', column : { + width : 100, + type: 'dropdown', + source: this.getAcronyms() + } + }, + { text :'Sample
Name', id :'Sample Name', column : {width : 120}}, + { text :'Comments', id :'Comments', column : {width : 200}} + ]; + + return header; +} + +/** +* Returns a puck object with the corresponding samples from the grid +* +* @method getPuck +*/ +GenericContainerSpreadSheet.prototype.getPuck = function() { + var rows = this.parseTableData(); + var myPuck = {}; + myPuck.sampleVOs = []; + + function filterByLocation(samples){ + return _.filter(samples, function(b){return b.BLSample_location == rows[i].location;} ); + } + + for (var i = 0; i < rows.length; i++) { + var sample = {}; + var sampleByLocation = filterByLocation(this.container.samples); + if (sampleByLocation.length > 0){ + /** new sample */ + sample = sampleByLocation[0]; + } + + sample["Protein_acronym"] = rows[i]["Protein Acronym"]; + sample["BLSample_name"] = rows[i]["Sample Name"]; + sample["location"]= rows[i]["location"]; + sample["BLSample_comments"] = rows[i]["Comments"]; + sample["crystalVO"] = { + proteinVO : EXI.proposalManager.getProteinByAcronym(rows[i]["Protein Acronym"])[0] + }; + sample["diffractionPlanVO"] = {}; + + myPuck.sampleVOs.push(sample); + } + + return myPuck; +} \ No newline at end of file diff --git a/js/core/view/shipping/othercontainerform.js b/js/core/view/shipping/othercontainerform.js new file mode 100644 index 000000000..be1530270 --- /dev/null +++ b/js/core/view/shipping/othercontainerform.js @@ -0,0 +1,157 @@ +function OtherContainerForm(args) { + this.id = BUI.id(); + var _this = this; + + this.width = 1500; + this.height = 600; + this.container = {}; + if (args != null) { + if (args.width != null) { + this.width = args.width; + } + if (args.height != null) { + this.height = args.height; + } + } + + this.containerSpreadSheet = new GenericContainerSpreadSheet({width : this.width - 50, height : this.height - 300}); + + this.onSave = new Event(this); + this.onCancel = new Event(this); +} + +OtherContainerForm.prototype.load = function (container) { + if (container) { + // var _this = this; + this.container = container; + if (!this.container.samples) { + this.container.samples = []; + } + if (!this.container.capacity) { + this.container.capacity = container.samples.length; + } + + Ext.getCmp(this.id + "container_name").setValue(container.code); + Ext.getCmp(this.id + "capacity").setValue(this.container.capacity); + this.containerSpreadSheet.load(this.container); + this.panel.doLayout(); + // this.panel.setLoading(true); + // var onSuccess = function (sender, samples) { + // if (samples) { + // _this.container.capacity = samples.length; + // _this.container.samples = samples; + // _this.containerSpreadSheet.load(_this.container); + // _this.panel.doLayout(); + // _this.panel.setLoading(false); + // } + // } + // EXI.getDataAdapter({onSuccess : onSuccess}).mx.sample.getSamplesByContainerId(container.containerId); + } +} + +OtherContainerForm.prototype.getPanel = function() { + var _this = this; + + this.panel = Ext.create('Ext.form.Panel', { + // width : this.width - 10, + // height : this.height, +// cls : 'border-grid', +// margin : 10, + autoScroll : true, + buttons : this.getButtons(), + items : [ + { + xtype : 'container', + margin : '5 0 2 5', + layout : 'hbox', + items : [ + + + { + xtype : 'container', + margin : '12 0 2 0', + layout : 'hbox', + items : [ + { + xtype: 'requiredtextfield', + id : this.id + 'container_name', + fieldLabel : 'Name', + name : 'name', + width : 250, + margin : '5 5 5 5', + labelWidth : 100 + }, + { + xtype: 'numberfield', + id : this.id + 'capacity', + fieldLabel : 'Capacity', + width : 250, + disabled : false, + margin : '5 5 5 10', + labelWidth : 100, + minValue: 0, + listeners: { + 'change': function(el, newValue, oldValue){ + _this.panel.setLoading(true); + _this.containerSpreadSheet.updateNumberOfRows(newValue); + _this.panel.setLoading(false); + } + } + } + ] + } + ] + }, + this.containerSpreadSheet.getPanel() + ] + }); + return this.panel; +}; + +OtherContainerForm.prototype.getButtons = function () { + var _this = this; + return [ { + text : 'Save', + id : this.id + "-save-button", + handler : function() { + _this.save(); + } + }, { + text : 'Cancel', + handler : function() { + _this.onCancel.notify(); + } + } ] +} + +OtherContainerForm.prototype.getContainer = function () { + this.container.code = Ext.getCmp(this.id + "container_code").getValue(); + this.container.containerType = "OTHER"; + this.container.capacity = this.container.samples.length; + return this.container; +} + +OtherContainerForm.prototype.save = function() { + var _this = this; + this.panel.setLoading("Saving Puck"); + + var puck = this.containerSpreadSheet.getPuck(); + + /** Updating general parameters **/ + puck.code = Ext.getCmp(_this.id + 'container_name').getValue(); + puck.capacity = Ext.getCmp(_this.id + 'capacity').getValue(); + puck.containerType = "OTHER"; + puck.containerId = this.container.containerId; + + var onError = function(sender, error){ + _this.panel.setLoading(false); + EXI.setError(error.responseText); + }; + + var onSuccess = function(sender){ + _this.panel.setLoading(false); + _this.onSave.notify(puck); + }; + + EXI.getDataAdapter({onSuccess : onSuccess, onError : onError}).proposal.shipping.saveContainer(this.container.containerId, this.container.containerId, this.container.containerId, puck); +}; \ No newline at end of file diff --git a/js/core/view/shipping/parcelgrid.js b/js/core/view/shipping/parcelgrid.js index 231f0851f..ba6d7bb00 100644 --- a/js/core/view/shipping/parcelgrid.js +++ b/js/core/view/shipping/parcelgrid.js @@ -6,8 +6,10 @@ * @constructor */ function ParcelGrid(args) { + this.id = BUI.id(); this.height = 100; this.width = 100; + this.padding = 0; this.btnEditVisible = true; this.btnRemoveVisible = true; @@ -18,6 +20,9 @@ function ParcelGrid(args) { if (args.width != null) { this.width = args.width; } + if (args.padding != null) { + this.padding = args.padding; + } if (args.btnEditVisible != null) { this.btnEditVisible = args.btnEditVisible; } @@ -26,6 +31,9 @@ function ParcelGrid(args) { } } + this.shipment = ""; + this.dewars = {}; + /** Events **/ this.onSuccess = new Event(this); this.onAdd = new Event(this); @@ -35,14 +43,15 @@ function ParcelGrid(args) { ParcelGrid.prototype._getTopButtons = function() { var _this = this; var actions = []; - return [(Ext.create('Ext.Action', { + return (Ext.create('Ext.Action', { + id : this.id + "-add-button", icon : '../images/icon/add.png', - text : 'Add New Parcel', - disabled : false, + text : 'Add', + disabled : true, handler : function(widget, event) { _this.edit(); } - }))]; + })); }; ParcelGrid.prototype.load = function(shipment) { @@ -50,7 +59,6 @@ ParcelGrid.prototype.load = function(shipment) { this.shipment = shipment; this.dewars = shipment.dewarVOs; - this.parcelForms = []; this.panel.removeAll(); @@ -68,16 +76,20 @@ ParcelGrid.prototype.load = function(shipment) { }; EXI.getDataAdapter({onSuccess : onSuccess}).proposal.dewar.saveDewar(_this.shipment.shippingId, dewar); } - + + Ext.getCmp(this.id + "-label").setText("Content (" + this.dewars.length + " Parcels)"); + Ext.getCmp(this.id + "-add-button").enable(); for ( var i in this.dewars) { - var parcelForm = new ParcelPanel({ - height : 275, - width : this.width - 40 + var parcelPanel = new ParcelPanel({ + height : 90, + width : this.width - 60, + shippingId : this.shipment.shippingId, + shippingStatus : this.shipment.shippingStatus, + index : Number(i)+1 }); - this.panel.insert(parcelForm.getPanel()); - parcelForm.load(this.dewars[i]); - parcelForm.onSavedClick.attach(onSaved); - this.parcelForms.push(parcelForm); + this.panel.insert(parcelPanel.getPanel()); + parcelPanel.load(this.dewars[i],this.shipment); + parcelPanel.onSavedClick.attach(onSaved); } }; @@ -135,13 +147,21 @@ ParcelGrid.prototype.getPanel = function() { width : this.width, autoScroll:true, autoHeight :true, - maxHeight: this.height + maxHeight: this.height, + padding : this.padding }); this.panel.addDocked({ height : 45, xtype : 'toolbar', - items : _this._getTopButtons(), + items : [ + { + xtype : 'label', + text : 'Content (0 Parcels)', + id : this.id + "-label" + }, + _this._getTopButtons() + ], cls : 'exi-top-bar' }); diff --git a/js/core/view/shipping/puckform.js b/js/core/view/shipping/puckform.js deleted file mode 100644 index 10b79158a..000000000 --- a/js/core/view/shipping/puckform.js +++ /dev/null @@ -1,226 +0,0 @@ -/** -* This class containes name, description, samples spreadsheet and puck loyout for a given puck -* -* @class PuckForm -* @constructor -**/ -function PuckForm(args) { - this.id = BUI.id(); - this.height = 500; - this.width = 500; - - if (args != null) { - if (args.height != null) { - this.height = args.height; - } - if (args.width != null) { - this.width = args.width; - } - } - - - var _this = this; - - //this.puckLayout = new PuckPanel({width : 150, tbar : false}); - this.containerSpreadSheet = new ContainerSpreadSheet({width : 1300}); - - /*this.containerSpreadSheet.onModified.attach(function(sender, puck){ - - });*/ - - this.onRemoved = new Event(this); - this.onSaved = new Event(this); -} - -/** Loads a puck into the form **/ -PuckForm.prototype.load = function(puck, shippingId) { - var _this = this; - this.puck = puck; - - if (puck != null){ - Ext.getCmp(this.id + "puck_name").setValue(this.puck.code); - this.capacityCombo.setValue(this.puck.capacity); - Ext.getCmp(this.id + "puck_beamline").setValue(this.puck.beamlineLocation); - Ext.getCmp(this.id + "puck_sampleChangerLocation").setValue(this.puck.sampleChangerLocation); - Ext.getCmp(this.id + "puck_status").setValue(this.puck.containerStatus); - } - this.containerSpreadSheet.load(puck); -}; - -/* -PuckForm.prototype.loadPlateLayout = function(puck) { - try{ - this.puckLayout.load(puck); - this.puckLayout.render(puck); - } - catch(e){ - console.log(e); - } -};*/ - -PuckForm.prototype.getToolBar = function() { - var _this = this; - return [ - - { - text: 'Remove', - width : 100, - height : 30, - cls : 'btn-red', - handler : function(){ - function showResult(result){ - if (result == "yes"){ - _this.removePuck(); - } - } - Ext.MessageBox.show({ - title:'Remove', - msg: 'Removing a puck from this parcel will remove also its content.
Are you sure you want to continue?', - buttons: Ext.MessageBox.YESNO, - fn: showResult, - animateTarget: 'mb4', - icon: Ext.MessageBox.QUESTION - }); - } - }, - "->", - { - text: 'Save', - width : 100, - height : 30, - handler : function(){ - _this.save(); - } - } - ]; -}; - -PuckForm.prototype.removePuck = function() { - var _this = this; - this.panel.setLoading(); - var onSuccess = function(sender, data){ - _this.panel.setLoading(false); - _this.onRemoved.notify(containerId); - }; - var containerId = this.puck.containerId; - EXI.getDataAdapter({onSuccess: onSuccess}).proposal.shipping.removeContainerById(containerId,containerId,containerId ); - -}; - -PuckForm.prototype.save = function() { - var _this = this; - this.panel.setLoading("Saving Puck"); - - var puck = this.containerSpreadSheet.getPuck(); - /** Updating general parameters **/ - puck.code = Ext.getCmp(_this.id + 'puck_name').getValue(); - puck.capacity = _this.capacityCombo.getValue(); - - var onError = function(sender, error){ - _this.panel.setLoading(false); - EXI.setError(error.responseText); - }; - - var onSuccess = function(sender, puck){ - _this.panel.setLoading(false); - _this.load(puck); - _this.onSaved.notify(puck); - }; - EXI.getDataAdapter({onSuccess : onSuccess, onError : onError}).proposal.shipping.saveContainer(this.puck.containerId, this.puck.containerId, this.puck.containerId, puck); -}; - - -/** - * When container type has changed from SPINE|| UNIPUCK || PLATE - * - * We make the spreadsheet longer and the platelayout is rendered again - */ -PuckForm.prototype.containerTypeChanged = function(capacity) { - this.puck.capacity = capacity; - var data = this.containerSpreadSheet.spreadSheet.getData(); - if (data.length < capacity){ - for (var i = data.length; i<= capacity; i++){ - data.push([i]); - } - } - else{ - data = data.slice(0, capacity); - } - this.containerSpreadSheet.spreadSheet.loadData(data); - -}; - -PuckForm.prototype.getPanel = function() { - var _this =this; - var capacityCombo = BIOSAXS_COMBOMANAGER.getComboPuckType({margin : '10 0 10 5', labelWidth : 100, width : 250}); - capacityCombo.on('select', function(capacityCombo, record){ - var capacity = record[0].data.value; - _this.containerTypeChanged(capacity); - }); - - this.capacityCombo = capacityCombo; - this.panel = Ext.create('Ext.panel.Panel', { - buttons : this.getToolBar(), - items : [ - { - xtype : 'container', - margin : '5 0 2 5', - layout : 'hbox', - items : [ - - - { - xtype : 'container', - margin : '12 0 2 0', - layout : 'vbox', - items : [ - { - xtype: 'requiredtextfield', - id : this.id + 'puck_name', - fieldLabel : 'Name', - name : 'name', - width : 250, - margin : '0 0 0 5', - labelWidth : 100 - }, - this.capacityCombo, - { - xtype: 'textfield', - id : this.id + 'puck_beamline', - fieldLabel : 'Beamline', - width : 250, - disabled : true, - margin : '0 0 0 5', - labelWidth : 100 - }, - { - xtype: 'textfield', - id : this.id + 'puck_sampleChangerLocation', - fieldLabel : '#Sample Changer', - width : 250, - disabled : true, - margin : '0 0 0 5', - labelWidth : 100 - }, - { - xtype: 'textfield', - id : this.id + 'puck_status', - fieldLabel : 'Status', - width : 250, - disabled : true, - margin : '0 0 0 5', - labelWidth : 100 - } - ] - }, - // this.puckLayout.getPanel() - ] - }, - this.containerSpreadSheet.getPanel(), - - ] - } - ); - return this.panel; -}; - diff --git a/js/core/view/shipping/puckformview.js b/js/core/view/shipping/puckformview.js new file mode 100644 index 000000000..49e471048 --- /dev/null +++ b/js/core/view/shipping/puckformview.js @@ -0,0 +1,344 @@ +/** +* This class containes name, description, samples spreadsheet and puck loyout for a given puck +* +* @class PuckForm +* @constructor +**/ +function PuckFormView(args) { + this.id = BUI.id(); + this.height = 500; + this.width = 500; + this.unsavedChanges = false; + + if (args != null) { + if (args.height != null) { + this.height = args.height; + } + if (args.width != null) { + this.width = args.width; + } + } + + + var _this = this; + + this.containerSpreadSheet = new ContainerSpreadSheet({width : Ext.getBody().getWidth() - 100, height : 600}); + this.containerSpreadSheet.onModified.attach(function (sender, change) { + _this.unsavedChanges = true; + }); + + this.capacityCombo = new ContainerTypeComboBox({label : "Type:", labelWidth : 100, width : 250, initDisabled : true}); + this.capacityCombo.onSelected.attach(function (sender, data) { + var capacity = data.capacity; + _this.unsavedChanges = true; + _this.containerTypeChanged(capacity); + }); + + this.onRemoved = new Event(this); + this.onSaved = new Event(this); +} + +/** Loads a puck into the form **/ +PuckFormView.prototype.load = function(containerId, shippingId, shippingStatus) { + var _this = this; + this.shippingId = shippingId; + this.shippingStatus = shippingStatus; + this.containerId = containerId; + // this.containerSpreadSheet.setLoading(true); + this.panel.setTitle("Shipment"); + + var onSuccess = function(sender, puck){ + _this.puck = puck; + if (puck != null){ + Ext.getCmp(_this.id + "puck_name").setValue(_this.puck.code); + if (_this.puck.capacity){ + _this.capacityCombo.setValue(_this.puck.capacity); + } else { + $.notify("ERROR: The capacity of the container is not defined.", "error"); + } + Ext.getCmp(_this.id + "puck_beamline").setValue(_this.puck.beamlineLocation); + Ext.getCmp(_this.id + "puck_sampleChangerLocation").setValue(_this.puck.sampleChangerLocation); + Ext.getCmp(_this.id + "puck_status").setValue(_this.puck.containerStatus); + } + + _this.fillSamplesGrid(puck); + + }; + + EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.getContainerById(this.containerId,this.containerId,this.containerId); + +}; + +PuckFormView.prototype.fillSamplesGrid = function (puck) { + var _this = this; + this.containerSpreadSheet.setLoading(true); + var onSuccess = function (sender, samples) { + if (samples) { + if (samples.length > 0) { + _this.containerSpreadSheet.setRenderCrystalFormColumn(true); + } else { + _this.containerSpreadSheet.setRenderCrystalFormColumn(false); + } + _this.containerSpreadSheet.setContainerType(puck.containerType); + _this.containerSpreadSheet.load(puck); + if (_this.shippingStatus != "processing"){ + var withoutCollection = _.filter(samples,{DataCollectionGroup_dataCollectionGroupId : null}); + if (withoutCollection.length == samples.length) { + Ext.getCmp(_this.id + "_save_button").enable(); + Ext.getCmp(_this.id + "_remove_button").enable(); + _this.capacityCombo.enable(); + } + } else { + _this.containerSpreadSheet.disableAll(); + } + _this.containerSpreadSheet.setLoading(false); + if (_this.containerSpreadSheet.renderCrystalFormColumn) { + _this.setValuesForEditCrystalColumn(); + } + } + } + + EXI.getDataAdapter({onSuccess : onSuccess}).mx.sample.getSamplesByContainerId(puck.containerId); +} + +PuckFormView.prototype.getPanel = function() { + var _this =this; + + this.panel = Ext.create('Ext.panel.Panel', { + autoScroll : true, + buttons : this.getToolBar(), + items : [ + { + xtype : 'container', + margin : '5 0 2 5', + layout : 'hbox', + items : [ + + + { + xtype : 'container', + margin : '12 0 2 0', + layout : 'hbox', + items : [ + { + xtype: 'requiredtextfield', + id : this.id + 'puck_name', + fieldLabel : 'Name', + name : 'name', + width : 250, + margin : '5 5 5 5', + labelWidth : 100, + }, + this.capacityCombo.getPanel(), + { + xtype: 'textfield', + id : this.id + 'puck_beamline', + fieldLabel : 'Beamline', + width : 250, + disabled : true, + margin : '5 5 5 10', + labelWidth : 100 + }, + { + xtype: 'textfield', + id : this.id + 'puck_sampleChangerLocation', + fieldLabel : '#Sample Changer', + width : 300, + disabled : true, + margin : '5 5 5 5', + labelWidth : 150 + }, + { + xtype: 'textfield', + id : this.id + 'puck_status', + fieldLabel : 'Status', + width : 250, + disabled : true, + margin : '5 5 5 5', + labelWidth : 100 + } + ] + }, + // this.puckLayout.getPanel() + ] + }, + this.containerSpreadSheet.getPanel(), + + ] + } + ); + return this.panel; +}; + +PuckFormView.prototype.getToolBar = function() { + var _this = this; + return [ + { + text: 'Remove', + id: this.id + "_remove_button", + width : 100, + height : 30, + disabled : true, + cls : 'btn-red', + handler : function(){ + function showResult(result){ + if (result == "yes"){ + _this.removePuck(); + } + } + Ext.MessageBox.show({ + title:'Remove', + msg: 'Removing a puck from this parcel will remove also its content.
Are you sure you want to continue?', + buttons: Ext.MessageBox.YESNO, + fn: showResult, + animateTarget: 'mb4', + icon: Ext.MessageBox.QUESTION + }); + } + }, + "->", + { + text: 'Save', + id: this.id + "_save_button", + width : 100, + height : 30, + disabled : true, + handler : function(){ + _this.save(); + } + }, + { + text: 'Return to shipment', + width : 200, + height : 30, + handler : function () { + _this.returnToShipment(); + } + } + ]; +}; + +PuckFormView.prototype.removePuck = function() { + var _this = this; + this.panel.setLoading(); + var onSuccess = function(sender, data){ + _this.panel.setLoading(false); + location.href = "#/shipping/" + _this.shippingId + "/main"; + // _this.onRemoved.notify(containerId); + }; + EXI.getDataAdapter({onSuccess: onSuccess}).proposal.shipping.removeContainerById(this.containerId,this.containerId,this.containerId ); + +}; + +PuckFormView.prototype.returnToShipment = function(){ + /**Check if the container's name has been changed */ + if (this.puck.code != Ext.getCmp(this.id + 'puck_name').getValue()) { + this.unsavedChanges = true; + } + if (this.unsavedChanges) { + this.showReturnWarning(); + } else { + location.href = "#/shipping/" + this.shippingId + "/main"; + } +} + +/** +* Saves the container +* +* @method save +* @param {Boolean} returnToShipment True if you want to return to shipment after the save +*/ +PuckFormView.prototype.save = function(returnToShipment) { + var _this = this; + + var puck = this.containerSpreadSheet.getPuck(); + /** Check if all samples have name */ + if (puck.sampleVOs && puck.sampleVOs.length > 0) { + var sampleNames = _.map(puck.sampleVOs,"name"); + if(sampleNames.indexOf(null) >= 0 || sampleNames.indexOf("") >= 0) { + $.notify("There are samples without a Sample Name", "error"); + return; + } + } + /** Updating general parameters **/ + puck.code = Ext.getCmp(_this.id + 'puck_name').getValue(); + puck.capacity = _this.capacityCombo.getSelectedCapacity(); + puck.containerType = _this.capacityCombo.getSelectedType(); + + var onError = function(sender, error){ + _this.panel.setLoading(false); + EXI.setError(error.responseText); + }; + + var onSuccess = function(sender, puck){ + _this.unsavedChanges = false; + _this.panel.setLoading(false); + if (returnToShipment){ + location.href = "#/shipping/" + _this.shippingId + "/main"; + } else { + _this.load(_this.containerId, _this.shippingId); + } + }; + this.panel.setLoading("Saving Puck"); + EXI.getDataAdapter({onSuccess : onSuccess, onError : onError}).proposal.shipping.saveContainer(this.containerId, this.containerId, this.containerId, puck); +}; + +/** + * When container type has changed from SPINE|| UNIPUCK || PLATE + * + * We make the spreadsheet longer and the platelayout is rendered again + */ +PuckFormView.prototype.containerTypeChanged = function(capacity) { + var currentType = this.capacityCombo.getTypeByCapacity(this.puck.capacity); + var newType = this.capacityCombo.getTypeByCapacity(capacity); + this.puck.capacity = capacity; + this.containerSpreadSheet.setContainerType(newType); + this.containerSpreadSheet.updateNumberOfRows(capacity); +}; + +/** + * When container type has changed from SPINE|| UNIPUCK || PLATE + * Updates the values for the edit crystal column + */ +PuckFormView.prototype.setValuesForEditCrystalColumn = function(capacity) { + var rows = this.containerSpreadSheet.parseTableData(); + var columnIndex = this.containerSpreadSheet.getColumnIndex("editCrystalForm"); + for (var i = 0; i < rows.length; i++) { + this.containerSpreadSheet.addEditCrystalFormButton(rows[i].location-1,columnIndex); + } + this.panel.doLayout(); +}; + +PuckFormView.prototype.showReturnWarning = function() { + var _this = this; + var window = Ext.create('Ext.window.Window', { + title: 'Container', + width: 250, + layout: 'fit', + modal : true, + items: [ + { + html : '
Do you want to save the changes to the container ' + _this.puck.code + '?
', + } + ], + buttons : [ { + text : 'Yes', + handler : function() { + window.close(); + _this.save(true); + } + },{ + text : 'No', + handler : function() { + window.close(); + location.href = "#/shipping/" + _this.shippingId + "/main"; + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }); + window.show(); +} \ No newline at end of file diff --git a/js/core/view/shipping/shipmenteditform.js b/js/core/view/shipping/shipmenteditform.js new file mode 100644 index 000000000..cc332ef2d --- /dev/null +++ b/js/core/view/shipping/shipmenteditform.js @@ -0,0 +1,153 @@ +function ShipmentEditForm(args) { + this.id = BUI.id(); + + this.width = 600; + this.height = 200; + this.showTitle = true; + if (args != null) { + if (args.showTitle != null) { + this.showTitle = args.showTitle; + } + if (args.width != null) { + this.width = args.width; + } + if (args.height != null) { + this.height = args.height; + } + } + + this.onSaved = new Event(this); +} + +ShipmentEditForm.prototype.load = function(shipment) { + + this.shipment = shipment; + + var fromData = EXI.proposalManager.getLabcontacts(); + var toData = $.extend(EXI.proposalManager.getLabcontacts(), [{ cardName : 'Same as for shipping to beamline', labContactId : -1}, { cardName : 'No return requested', labContactId : 0}]); + + var html = ""; + var beamlineName = ""; + var startDate = ""; + if (shipment){ + if (shipment.sessions.length > 0){ + beamlineName = shipment.sessions[0].beamlineName; + startDate = (new Date(shipment.sessions[0].startDate)).toLocaleDateString(); + } + } + + var sessionSort = function(o1,o2) { + var d1 = new Date(o1.BLSession_startDate); + var d2 = new Date(o2.BLSession_startDate); + if (d1 === d2) { + return 0; + } else { + return (d1 < d2) ? 1 : -1; + } + } + var sessions = EXI.proposalManager.getSessions(); + sessions.sort(sessionSort); + var sessionsSelectData = []; + var currentDay = new Date((new Date()).toDateString()); + for (var i = 0 ; i < sessions.length ; i++){ + var session = sessions[i]; + var sessionStartDate = (new Date(session.BLSession_startDate)); + if (currentDay <= (new Date(sessionStartDate.toDateString())) ){ + var dd = sessionStartDate.getDate(); + var mm = sessionStartDate.getMonth()+1; //January is 0! + var yyyy = sessionStartDate.getFullYear(); + if(dd<10){ + dd='0'+dd; + } + if(mm<10){ + mm='0'+mm; + } + var formattedDate = dd+'/'+mm+'/'+yyyy; + sessionsSelectData.push({sessionId : session.sessionId, date : sessionStartDate.toLocaleDateString(), formattedDate : formattedDate, beamLineName : session.beamLineName}); + } + } + + + dust.render("shipping.edit.form.template", {id : this.id, sessions : sessionsSelectData, to : toData, from : fromData, beamlineName : beamlineName, startDate : startDate, shipment : shipment}, function(err, out){ + html = out; + }); + + $('#' + this.id).hide().html(html).fadeIn('fast'); + this.panel.doLayout(); +}; + +ShipmentEditForm.prototype.getPanel = function() { + + this.panel = Ext.create("Ext.panel.Panel",{ + items : [{ + html : '
', + autoScroll : false, + padding : this.padding, + width : this.width + }] + }); + + return this.panel; +}; + +ShipmentEditForm.prototype.saveShipment = function() { + var _this = this; + + var sendingAddressId = $("#" + this.id + "-to").val(); + var returnAddressId = $("#" + this.id + "-from").val(); + + var shippingId = null; + if (this.shipment) { + shippingId = this.shipment.shippingId; + } + + if (sendingAddressId == null) { + BUI.showError("User contact information for shipping to beamline is mandatory"); + return; + } + + /** No return requested **/ + if (returnAddressId == "No return requested"){ + returnAddressId = 0; + } + + /** Same sender **/ + if (returnAddressId == "Same as for shipping to beamline"){ + returnAddressId = -1; + } + + var sendingAddress = (EXI.proposalManager.getLabcontactById(sendingAddressId)); + var json = { + shippingId : shippingId, + name : $("#" + this.id + "-name").val(), + status : "Not set", + sendingLabContactId : sendingAddressId, + returnLabContactId : returnAddressId, + returnCourier : returnAddressId, + courierAccount : sendingAddress.courierAccount, + billingReference : sendingAddress.billingReference, + dewarAvgCustomsValue : sendingAddress.dewarAvgCustomsValue, + dewarAvgTransportValue :sendingAddress.dewarAvgTransportValue, + comments : $("#" + this.id + "-comments").val(), + sessionId : $("#" + this.id + "-date").val() + }; + + var onSuccess = function(sender, shipment) { + _this.panel.setLoading(false); + _this.onSaved.notify(shipment); + }; + + /** Cheking params **/ + if (json.name == "") { + BUI.showError("Name field is mandatory"); + return; + } + + if (json.sendingLabContactId == null) { + BUI.showError("Lab contact for sending field is mandatory"); + return; + } + + this.panel.setLoading(); + EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.saveShipment(json); +} \ No newline at end of file diff --git a/js/core/view/shipping/shipmentform.js b/js/core/view/shipping/shipmentform.js index 0e93261ef..8b1c4e6a5 100644 --- a/js/core/view/shipping/shipmentform.js +++ b/js/core/view/shipping/shipmentform.js @@ -7,6 +7,7 @@ function ShipmentForm(args) { this.id = BUI.id(); this.width = 600; + this.padding = 10; if (args != null) { if (args.creationMode != null) { @@ -20,244 +21,87 @@ function ShipmentForm(args) { this.onSaved = new Event(this); } -ShipmentForm.prototype.fillStores = function() { - this.panel.setLoading("Loading Labcontacts from database"); - var labContacts = EXI.proposalManager.getLabcontacts(); - - this.labContactForSendingStore.loadData(labContacts, false); - - labContacts.sort(function(a, b){ - if(a.cardName < b.cardName) {return -1;} - if(a.cardName > b.cardName) {return 1;} - return 0; - }); - - $.extend(labContacts, [{ cardName : 'Same as for shipping to beamline', labContactId : -1}, { cardName : 'No return requested', labContactId : 0}]); - this.labContactForReturnStore.loadData(labContacts, false); - - this.labContactsReturnCombo.setValue(-1); - - this.panel.setLoading(false); - if (this.shipment != null) { - this.setShipment(this.shipment); - } -}; - -ShipmentForm.prototype.draw = function(targetId) { - this.getPanel().render(targetId); -}; - ShipmentForm.prototype.load = function(shipment) { this.shipment = shipment; var _this = this; - Ext.getCmp(_this.id + "shippingName").setValue(shipment.shippingName); - Ext.getCmp(_this.id + "comments").setValue(shipment.comments); - if (shipment.sendingLabContactVO != null) { - this.labContactsSendingCombo.setValue(shipment.sendingLabContactVO.labContactId); - } - - if (shipment.returnLabContactVO == null) { - this.labContactsReturnCombo.setValue(0); - } - else{ - if (shipment.returnLabContactVO.labContactId == shipment.sendingLabContactVO.labContactId){ - this.labContactsReturnCombo.setValue(-1); - } - else{ - this.labContactsReturnCombo.setValue(shipment.returnLabContactVO.labContactId); - } - } - - if (shipment.sessions != null){ + var toData = EXI.proposalManager.getLabcontacts(); + var fromData = $.extend(EXI.proposalManager.getLabcontacts(), [{ cardName : 'Same as for shipping to beamline', labContactId : -1}, { cardName : 'No return requested', labContactId : 0}]); + + var html = ""; + var beamlineName = ""; + var startDate = ""; + if (shipment){ if (shipment.sessions.length > 0){ - var session = shipment.sessions[0]; - this.sessionComboBox.setValue(session.sessionId); + beamlineName = shipment.sessions[0].beamlineName; + startDate = moment(shipment.sessions[0].startDate).format("DD/MM/YYYY"); } } - -}; - -ShipmentForm.prototype._saveShipment = function() { - var _this = this; - var shippingId = null; - if (this.shipment != null) { - shippingId = this.shipment.shippingId; - } - - var sendingAddressId = this.labContactsSendingCombo.getValue(); - var returnAddressId = this.labContactsReturnCombo.getValue(); - - if (sendingAddressId == null) { - BUI.showError("User contact information for shipping to beamline is mandatory"); - return; - } - - - /** No return requested **/ - if (this.labContactsReturnCombo.getValue() == 0){ - returnAddressId = 0; - } + dust.render("shipping.form.template", {id : this.id, to : toData, from : fromData, beamlineName : beamlineName, startDate : startDate, shipment : shipment}, function(err, out){ + html = out; + }); - /** Same sender **/ - if (this.labContactsReturnCombo.getValue() == -1){ - returnAddressId = -1; - } - - var sendingAddress = (EXI.proposalManager.getLabcontactById(sendingAddressId)); - var json = { - shippingId : shippingId, - name : Ext.getCmp(_this.id + "shippingName").getValue(), - status : "Not set", - sendingLabContactId : sendingAddressId, - returnLabContactId : returnAddressId, - returnCourier : returnAddressId, - courierAccount : sendingAddress.courierAccount, - billingReference : sendingAddress.billingReference, - dewarAvgCustomsValue : sendingAddress.dewarAvgCustomsValue, - dewarAvgTransportValue :sendingAddress.dewarAvgTransportValue, - comments : Ext.getCmp(_this.id + "comments").getValue(), - sessionId : this.sessionComboBox.getValue() - }; - - var onSuccess = function(sender, shipment) { - location.hash = "#/shipping/" + shipment.shippingId + "/main"; - _this.panel.setLoading(false); - _this.onSaved.notify(shipment); - }; - - - /** Cheking params **/ - if (json.name == "") { - BUI.showError("Name field is mandatory"); - return; + $('#' + _this.id).hide().html(html).fadeIn('fast'); + if (shipment == null || shipment.shippingStatus != "processing"){ + $("#" + _this.id + "-edit-button").prop('disabled',false); + $("#" + _this.id + "-edit-button").unbind('click').click(function(sender){ + _this.edit(); + }); } - if (json.sendingLabContactId == null) { - BUI.showError("Lab contact for sending field is mandatory"); - return; - } + this.panel.doLayout(); - - this.panel.setLoading(); - EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.saveShipment(json); - - }; ShipmentForm.prototype.getPanel = function() { - var _this = this; - var required = '*'; - var buttons = []; - - if (_this.creationMode) { - buttons.push({ - text : 'Create', - scope : this, - handler : function() { - _this._saveShipment(); - } - }); - } else { - buttons.push({ - text : 'Save', - scope : this, - handler : function() { - _this._saveShipment(); - } - }); - - } - this.labContactForSendingStore = Ext.create('Ext.data.Store', { - fields : [ 'cardName', 'labContactId' ], - sorters : 'cardName' + this.panel = Ext.create("Ext.panel.Panel",{ + items : [{ + cls : 'border-grid', + html : '
', + autoScroll : false, + margin : 10, + padding : this.padding, + width : this.width + }] }); - this.labContactForReturnStore = Ext.create('Ext.data.Store', { - fields : [ 'cardName', 'labContactId' ] - - }); + return this.panel; +}; - this.labContactsSendingCombo = Ext.create('Ext.form.ComboBox', { - id : _this.id + "shipmentform_sendingLabContactId", - fieldLabel : 'Shipping Card to ESRF', - afterLabelTextTpl : required, - store : this.labContactForSendingStore, - queryMode : 'local', - labelWidth : 200, - width : 600, - margin : '10 0 0 10', - displayField : 'cardName', - valueField : 'labContactId' +ShipmentForm.prototype.edit = function(dewar) { + var _this = this; + var shippingEditForm = new ShipmentEditForm(); + + shippingEditForm.onSaved.attach(function (sender, shipment) { + if (_this.shipment) { + _this.load(shipment); + } else { + _this.onSaved.notify(shipment); + } + window.close(); }); - this.labContactsReturnCombo = Ext.create('Ext.form.ComboBox', { - id : _this.id + "returnLabContactId", - fieldLabel : 'Shipping Card to HOME', - afterLabelTextTpl : required, - store : this.labContactForReturnStore, - queryMode : 'local', - margin : '10 0 0 10', - labelWidth : 200, + var window = Ext.create('Ext.window.Window', { + title : 'Shipment', + height : 450, width : 600, - displayField : 'cardName', - valueField : 'labContactId' - }); - - - this.sessionComboBox = BIOSAXS_COMBOMANAGER.getComboSessions(EXI.proposalManager.getSessions(), {margin: '10 0 0 10', width: 400, labelWidth: 200}); - - if (this.panel == null) { - this.panel = Ext.create('Ext.form.Panel', { - layout: 'hbox', - width : this.width, - margin : 10, - bodyPadding : 5, - cls : 'border-grid', - buttons : buttons, - items : [ - { - xtype : 'container', - layout: 'vbox', - items: [ - { - xtype : 'requiredtextfield', - fieldLabel : 'Name', - allowBlank : false, - labelWidth : 200, - width : 400, - margin : "10 20 0 10", - name : 'shippingName', - id : _this.id + 'shippingName', - value : '', - }, - this.sessionComboBox - ] - }, - { - xtype : 'textareafield', - name : 'comments', - id : _this.id + 'comments', - fieldLabel : 'Comments', - value : '', - labelWidth : 200, - margin : "10 20 0 10", - width : 500, - }, - { - xtype : 'container', - layout: 'vbox', - items: [ - this.labContactsSendingCombo, - this.labContactsReturnCombo - ] - } - ] - }); - } - this.fillStores(); - return this.panel; -}; - + modal : true, + layout : 'fit', + items : [ shippingEditForm.getPanel() ], + buttons : [ { + text : 'Save', + handler : function() { + shippingEditForm.saveShipment(); + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }).show(); + + shippingEditForm.load(this.shipment); +}; \ No newline at end of file diff --git a/js/core/view/shipping/shippingmainview.js b/js/core/view/shipping/shippingmainview.js index be45ea98b..eac107136 100644 --- a/js/core/view/shipping/shippingmainview.js +++ b/js/core/view/shipping/shippingmainview.js @@ -2,7 +2,7 @@ /** * This main class deals with the creation and edition of shipments * -* @class ShippingMainView +* @class ShippingMainViewTest * @constructor */ function ShippingMainView() { @@ -15,7 +15,8 @@ function ShippingMainView() { */ this.shipmentForm = new ShipmentForm({width : Ext.getBody().getWidth() - 200}); this.shipmentForm.onSaved.attach(function(sender, shipment){ - location.hash = "#/proposal/shipping/nav?nomain"; + // location.hash = "#/proposal/shipping/nav?nomain"; + location.hash = "#/shipping/" + shipment.shippingId + "/main"; }); /** @@ -33,6 +34,7 @@ ShippingMainView.prototype.getPanel = function() { type: 'vbox', align: 'center' }, + autoScroll : true, cls : 'border-grid', items : [ this.shipmentForm.getPanel(), @@ -48,9 +50,6 @@ ShippingMainView.prototype.load = function(shippingId) { var _this = this; this.shippingId = shippingId; - if (shippingId == null){ - Ext.getCmp(this.id + "grid").disable(true); - } this.panel.setTitle("Shipment"); if (shippingId != null){ this.panel.setLoading(); @@ -60,5 +59,10 @@ ShippingMainView.prototype.load = function(shippingId) { _this.panel.setLoading(false); }; EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.getShipment(shippingId); - } + } + else{ + + _this.shipmentForm.load(); + _this.panel.setLoading(false); + } }; \ No newline at end of file diff --git a/js/core/view/shipping/shippingmainviewtest.js b/js/core/view/shipping/shippingmainviewtest.js deleted file mode 100644 index 86a271112..000000000 --- a/js/core/view/shipping/shippingmainviewtest.js +++ /dev/null @@ -1,64 +0,0 @@ - -/** -* This main class deals with the creation and edition of shipments -* -* @class ShippingMainViewTest -* @constructor -*/ -function ShippingMainViewTest() { - MainView.call(this); - var _this = this; - - /** - * - * @property shipmentForm - */ - this.shipmentForm = new ShipmentForm({width : Ext.getBody().getWidth() - 200}); - this.shipmentForm.onSaved.attach(function(sender, shipment){ - location.hash = "#/proposal/shipping/nav?nomain"; - }); - - /** - * - * @property parcelGrid - */ - this.parcelGrid = new ParcelGrid({height : 580, width : Ext.getBody().getWidth() - 200}); - -} - -ShippingMainViewTest.prototype.getPanel = function() { - - this.panel = Ext.create('Ext.panel.Panel', { - layout: { - type: 'vbox', - align: 'center' - }, - cls : 'border-grid', - items : [ - this.shipmentForm.getPanel(), - this.parcelGrid.getPanel() - ] - }); - - return this.panel; -}; - - -ShippingMainViewTest.prototype.load = function(shippingId) { - var _this = this; - this.shippingId = shippingId; - - if (shippingId == null){ - Ext.getCmp(this.id + "grid").disable(true); - } - this.panel.setTitle("Shipment"); - if (shippingId != null){ - this.panel.setLoading(); - var onSuccess = function(sender, shipment){ - _this.shipmentForm.load(shipment); - _this.parcelGrid.load(shipment); - _this.panel.setLoading(false); - }; - EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.getShipment(shippingId); - } -}; \ No newline at end of file diff --git a/js/core/widget/addresseditform.js b/js/core/widget/addresseditform.js new file mode 100644 index 000000000..bc8d60243 --- /dev/null +++ b/js/core/widget/addresseditform.js @@ -0,0 +1,86 @@ +function AddressEditForm (args) { + this.id = BUI.id(); + this.height = 450; + this.width = 740; + this.padding = 10 + + + if (args != null) { + if (args.height != null) { + this.height = args.height; + } + if (args.width != null) { + this.width = args.width; + } + } + + this.onSaved = new Event(this); +} + +AddressEditForm.prototype.load = function(address) { + this.address = {}; + if (address) { + this.address = address; + } + this.address.id = this.id; + + var html = ""; + dust.render("address.edit.form.template", this.address, function(err, out){ + html = out; + }); + $('#' + this.id).hide().html(html).fadeIn('fast'); + this.panel.doLayout(); +}; + +AddressEditForm.prototype.getPanel = function() { + + this.panel = Ext.create("Ext.panel.Panel",{ + items : [{ + // cls : 'border-grid', + html : '
', + autoScroll : false, + margin : 10, + padding : this.padding, + width : this.width + }] + }); + + return this.panel; +}; + +AddressEditForm.prototype.save = function() { + var _this = this; + var address = this.getAddress(); + var onSuccess = function (sender,addressSaved) { + _this.onSaved.notify(address); + } + + EXI.getDataAdapter({onSuccess : onSuccess}).proposal.labcontacts.saveLabContact(address); +}; + +AddressEditForm.prototype.getAddress = function () { + var address = {}; + address = this.address; + if (!address.labContactId){ + address.labContactId = null; + } + if (!address.personVO) { + address.personVO = {}; + address.personVO.personId = null; + } + address.personVO.emailAddress = $("#" + this.id + "-emailAddress").val(); + address.personVO.familyName = $("#" + this.id + "-familyName").val(); + address.personVO.givenName = $("#" + this.id + "-givenName").val(); + address.personVO.phoneNumber = $("#" + this.id + "-phoneNumber").val(); + address.personVO.faxNumber = $("#" + this.id + "-faxNumber").val(); + address.cardName = $("#" + this.id + "-cardName").val(); + address.courierAccount = $("#" + this.id + "-courierAccount").val(); + address.defaultCourrierCompany = $("#" + this.id + "-defaultCourrierCompany").val(); + address.dewarAvgCustomsValue = $("#" + this.id + "-dewarAvgCustomsValue").val(); + address.dewarAvgTransportValue = $("#" + this.id + "-dewarAvgTransportValue").val(); + address.billingReference = $("#" + this.id + "-billingReference").val(); + address.labName = $("#" + this.id + "-labName").val(); + address.labAddress = $("#" + this.id + "-labAddress").val(); + + return address; +} \ No newline at end of file diff --git a/js/core/widget/addressform.js b/js/core/widget/addressform.js new file mode 100644 index 000000000..747aa15bd --- /dev/null +++ b/js/core/widget/addressform.js @@ -0,0 +1,133 @@ +/** + * Edit the information of a buffer + * + * #onRemoveAdditive + */ +function AddressForm(args) { + this.id = BUI.id(); + this.height = 500; + this.width = 500; + + + if (args != null) { + if (args.height != null) { + this.height = args.height; + } + if (args.width != null) { + this.width = args.width; + } + } +} + +AddressForm.prototype.getAddress = function() { + if (this.address == null) { + this.address = {}; + } + this.address["billingReference"] = Ext.getCmp(this.id + "billingReference").getValue(); + this.address["cardName"] = Ext.getCmp(this.id + "cardName").getValue(); + this.address["courierAccount"] = Ext.getCmp(this.id + "courierAccount").getValue(); + this.address["defaultCourrierCompany"] = Ext.getCmp(this.id + "courrierCompany").getValue(); + this.address["dewarAvgCustomsValue"] = Ext.getCmp(this.id + "dewarAvgCustomsValue").getValue(); + this.address["dewarAvgTransportValue"] = Ext.getCmp(this.id + "dewarAvgTransportValue").getValue(); + + if (this.address.personVO == null) { + this.address.personVO = {}; + } + else{ + + } + + this.address.personVO["emailAddress"] = Ext.getCmp(this.id + "emailAddress").getValue(); + this.address.personVO["familyName"] = Ext.getCmp(this.id + "familyName").getValue(); + this.address.personVO["givenName"] = Ext.getCmp(this.id + "name").getValue(); + this.address.personVO["faxNumber"] = Ext.getCmp(this.id + "faxNumber").getValue(); + this.address.personVO["phoneNumber"] = Ext.getCmp(this.id + "phoneNumber").getValue(); + return this.address; +}; + +AddressForm.prototype.load = function(address) { + this.address = address; + + var html = ""; + dust.render("address.form.template", address, function(err, out){ + html = out; + }); + $('#' + this.id).hide().html(html).fadeIn('fast'); + this.panel.doLayout(); +}; + +AddressForm.prototype.getPanel = function() { + var _this = this; + + this.panel = Ext.create("Ext.panel.Panel",{ + cls : "border-grid", + title : 'Shipping Address Card', + buttons : this.getToolBar(), + icon : '../images/icon/ic_email_black_24dp.png', + items : [{ + // cls : 'border-grid', + html : '
', + autoScroll : false, + margin : 10, + padding : this.padding, + width : this.width + }] + }); + + return this.panel; +}; + +// AddressForm.prototype.save = function() { +// var _this = this; + +// _this.panel.setLoading(); +// var onSuccess = function(sender) { +// _this.panel.setLoading(false); +// EXI.getDataAdapter().proposal.proposal.update(); +// }; +// EXI.getDataAdapter({onSuccess : onSuccess }).proposal.labcontacts.saveLabContact(_this.getAddress()); +// }; + +AddressForm.prototype.getToolBar = function() { + var _this = this; + return [ { + text : 'Edit', + hidden : _this.isSaveButtonHidden, + width : 100, + handler : function() { + _this.edit(); + + } } ]; +}; + +AddressForm.prototype.edit = function(dewar) { + var _this = this; + var addressEditForm = new AddressEditForm(); + + addressEditForm.onSaved.attach(function (sender, address) { + window.close(); + _this.load(address); + }); + + var window = Ext.create('Ext.window.Window', { + title : 'Shipping Address Card', + height: 550, + width: 750, + modal : true, + layout : 'fit', + items : [ addressEditForm.getPanel() ], + buttons : [ { + text : 'Save', + handler : function() { + addressEditForm.save(); + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }).show(); + + addressEditForm.load(this.address); +}; diff --git a/js/core/widget/containerparcelpanel.js b/js/core/widget/containerparcelpanel.js new file mode 100644 index 000000000..50cc77855 --- /dev/null +++ b/js/core/widget/containerparcelpanel.js @@ -0,0 +1,265 @@ +/** +* Renders a panel that contains a puck widget and two buttons +* +* @class ContainerParcelPanel +* @constructor +*/ +function ContainerParcelPanel(args) { + this.id = BUI.id(); + this.height = 220; + this.containerId = 0; + this.shippingId = 0; + this.shippingStatus = ""; + this.withoutCollection = true; + this.type = "Puck"; + this.data = {puckType : "Unipuck", + mainRadius : this.height*0.75*0.9/2, + xMargin : this.width/2 - this.height*0.9/2, + yMargin : 2.5, + code : "", + enableMouseOver : true, + enableClick : true, + enableMainClick : true, + enableMainMouseOver : true, + containerId : 0 + }; + this.width = 2*this.data.mainRadius + 20; + this.container = new ContainerWidget(this.data); + + if (args != null) { + if (args.height != null) { + this.height = args.height; + this.data.mainRadius = this.height*0.75*0.9/2; + this.width = 2*this.data.mainRadius + 20; + this.data.xMargin = this.width/2 - this.data.mainRadius; + } + if (args.width != null) { + this.width = args.width; + this.data.xMargin = this.width/2 - this.data.mainRadius; + } + if (args.containerId != null) { + this.containerId = args.containerId; + this.data.containerId = this.containerId; + } + if (args.shippingId != null) { + this.shippingId = args.shippingId; + } + if (args.shippingStatus != null) { + this.shippingStatus = args.shippingStatus; + } + if (args.code != null) { + this.data.code = args.code; + } + if (args.type != null) { + if ((["Puck","StockSolution","OTHER","PLATE"]).indexOf(args.type) >= 0){ + this.type = args.type; + } else { + this.type = "Puck"; + } + } + if (args.capacity != null) { + if (args.capacity != 16) { + this.data.puckType = "Spinepuck"; + } + } + } + + this.onContainerRemoved = new Event(this); + +}; + +/** +* Returns the panel containing the container and the buttons +* +* @class load +* @return The panel containing the container and the buttons +*/ +ContainerParcelPanel.prototype.getPanel = function () { + var _this = this; + this.container = new ContainerWidget(this.data); + if (this.type == "Puck"){ + this.container = new PuckWidgetContainer(this.data); + } else if (this.type == "StockSolution") { + this.data.stockSolutionId = this.containerId; + this.container= new StockSolutionContainer(this.data); + } + + this.container.onClick.attach(function (sender, id) { + var code = _this.data.code; + if (code == "") { + code = "-"; + } + + var window = Ext.create('Ext.window.Window', { + title: 'Container', + width: 250, + layout: 'fit', + modal : true, + items: [ + { + html : '
Code: ' + code + '
Select one of the options below:
', + } + ], + buttons : [ { + text : 'Edit', + handler : function() { + if (_this.type == "StockSolution") { + location.href = "#/stocksolution/" + _this.containerId + "/main"; + } else if (_this.type == "OTHER") { + _this.openEditOtherContainerForm(); + } else { + location.href = "#/shipping/" + _this.shippingId + "/" + _this.shippingStatus + "/containerId/" + _this.containerId + "/edit"; + } + window.close(); + } + },{ + text : 'Remove', + disabled : _this.shippingStatus == "processing", + handler : function() { + _this.removeButtonClicked(); + window.close(); + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }); + window.show(); + }); + + this.container.onMouseOver.attach(function(sender, container){ + container.focus(true); + }); + + this.container.onMouseOut.attach(function(sender, container){ + container.focus(false); + }); + + var containerPanelHeight = 2*this.data.mainRadius + 5; + + this.containerPanel = Ext.create('Ext.panel.Panel', { + // cls : 'border-grid', + width : this.width, + height : containerPanelHeight, + items : [this.container.getPanel()] + }); + + this.panel = Ext.create('Ext.panel.Panel', { + // cls : 'border-grid', + layout: { + type: 'vbox', + align: 'center', + pack: 'center' + }, + width : this.width, + height : this.height, + items : [ + this.containerPanel + ] + }); + + if (this.height >= 45) { + this.panel.insert({ + html : "
" + this.data.code + "
", + height : this.height*0.25, + width : this.width + }); + } + + return this.panel; +}; + +/** +* Loads the container with the given samples +* +* @class load +* @return +*/ +ContainerParcelPanel.prototype.load = function (samples) { + this.containerPanel.removeAll(); + this.containerPanel.add(this.container.getPanel()); + if (samples.length > 0){ + this.container.loadSamples(samples); + if (!this.container.containerId) { + this.container.containerId = this.containerId; + } + // this.shippingId = samples[0].Shipping_shippingId; + } + var withoutCollection = _.filter(samples,{DataCollectionGroup_dataCollectionGroupId : null}); + if (withoutCollection.length < samples.length) { + this.withoutCollection = false; + } +}; + +/** +* Removes the puck from the database +* +* @class removePuck +* @return +*/ +ContainerParcelPanel.prototype.removePuck = function() { + this.panel.setLoading(); + if (this.type == "StockSolution") { + this.onContainerRemoved.notify(this.containerId); + } else { + var _this = this; + var onSuccess = function(sender, data){ + _this.panel.setLoading(false); + _this.onContainerRemoved.notify(_this.containerId); + }; + var containerId = this.containerId; + EXI.getDataAdapter({onSuccess: onSuccess}).proposal.shipping.removeContainerById(containerId,containerId,containerId ); + } +}; + +ContainerParcelPanel.prototype.removeButtonClicked = function () { + var _this = this; + function showResult(result){ + if (result == "yes"){ + _this.removePuck(); + } + } + Ext.MessageBox.show({ + title:'Remove', + msg: 'Removing a container from this parcel will remove also its content.
Are you sure you want to continue?', + buttons: Ext.MessageBox.YESNO, + fn: showResult, + animateTarget: 'mb4', + icon: Ext.MessageBox.QUESTION + }); +}; + +ContainerParcelPanel.prototype.openEditOtherContainerForm = function () { + var _this = this; + /** Opens a window with the cas form **/ + var otherContainerForm = new OtherContainerForm(); + otherContainerForm.onSave.attach(function(sender,container){ + $("#" + _this.id + "-name").html(container.code); + _this.container.samples = container.sampleVOs; + _this.container.capacity = container.capacity; + window.close(); + }) + + otherContainerForm.onCancel.attach(function(sender){ + window.close(); + }) + + var window = Ext.create('Ext.window.Window', { + title: 'Container', + height: 600, + width: 1500, + modal : true, + layout: 'fit', + items: [ + otherContainerForm.getPanel() + ], + listeners : { + afterrender : function(component, eOpts) { + otherContainerForm.load(_this.container); + } + }, + }); + window.show(); +} \ No newline at end of file diff --git a/js/core/widget/containertypecombobox.js b/js/core/widget/containertypecombobox.js new file mode 100644 index 000000000..ed493b0c9 --- /dev/null +++ b/js/core/widget/containertypecombobox.js @@ -0,0 +1,91 @@ +function ContainerTypeComboBox(args) { + this.id = BUI.id(); + + this.label = "Choose Container Type:"; + this.labelWidth = 200; + this.width = 500; + this.initDisabled = false; + + this.data = [ + {"type":"UNIPUCK", "capacity":16}, + {"type":"SPINE", "capacity":10}, + {"type":"PLATE", "capacity":96} + ] + + if (args) { + if (args.label) { + this.label = args.label; + } + if (args.labelWidth) { + this.labelWidth = args.labelWidth; + } + if (args.width) { + this.width = args.width; + } + if (args.extraOptions != null) { + this.data = _.union(this.data, args.extraOptions); + } + if (args.initDisabled != null){ + this.initDisabled = args.initDisabled; + } + } + this.onSelected = new Event(this); +} + +ContainerTypeComboBox.prototype.getPanel = function () { + var _this = this; + + var types = Ext.create('Ext.data.Store', { + fields: ['type','capacity'], + data : this.data + }); + + this.panel = Ext.create('Ext.form.ComboBox', { + layout:'fit', + margin : '5 0 5 5', + fieldLabel: this.label, + store: types, + labelStyle: 'padding:5px', + labelWidth : this.labelWidth, + displayField: 'type', + value:'UNIPUCK', + width: this.width, + disabled : this.initDisabled + }); + + this.panel.on('select', function(capacityCombo, record){ + _this.onSelected.notify(record[0].data); + }); + + return this.panel; +}; + +ContainerTypeComboBox.prototype.getValue = function () { + return this.panel.getValue(); +}; + + +ContainerTypeComboBox.prototype.getSelectedType = function () { + var type = this.panel.getValue(); + if (type == "UNIPUCK" || type == "SPINE") { + type = "Puck"; + } + return type; +}; + +ContainerTypeComboBox.prototype.getSelectedCapacity = function () { + return _.filter(this.data,{"type" : this.getValue()})[0]["capacity"]; +}; + +ContainerTypeComboBox.prototype.getTypeByCapacity = function (capacity) { + return _.filter(this.data,{"capacity" : capacity})[0]["type"]; +}; + +ContainerTypeComboBox.prototype.setValue = function (capacity) { + var type = this.getTypeByCapacity(capacity); + this.panel.setValue(type); +}; + +ContainerTypeComboBox.prototype.enable = function () { + this.panel.enable(); +} \ No newline at end of file diff --git a/js/core/widget/containerwidget.js b/js/core/widget/containerwidget.js new file mode 100644 index 000000000..3c5e63761 --- /dev/null +++ b/js/core/widget/containerwidget.js @@ -0,0 +1,121 @@ +function ContainerWidget(args) { + this.id = BUI.id(); + + this.templateData = { + id : this.id, + xmargin : 0, + ymargin : 0, + mainRadius : 50, + width : 100, + height : 100, + r : 20, + enableMainClick : false, + enableMainMouseOver : false, + }; + this.containerId = 0; + this.samples = null; + this.code = ""; + + if (args){ + if (args.code){ + this.code = args.code; + } + if (args.containerId){ + this.containerId = args.containerId; + } + if (args.xMargin){ + this.templateData.xMargin = args.xMargin; + } + if (args.yMargin){ + this.templateData.yMargin = args.yMargin; + } + if (args.enableMainClick != null){ + this.templateData.enableMainClick = args.enableMainClick; + } + if (args.enableMainMouseOver != null){ + this.templateData.enableMainMouseOver = args.enableMainMouseOver; + } + if (args.mainRadius){ + this.templateData.mainRadius = args.mainRadius; + this.templateData.width = 2*args.mainRadius; + this.templateData.height = 2*args.mainRadius; + this.templateData.r = args.mainRadius/5; + } + } + + this.onClick = new Event(this); + this.onMouseOver = new Event(this); + this.onMouseOut = new Event(this); +}; + +ContainerWidget.prototype.getPanel = function () { + + var _this = this; + + this.panel = Ext.create('Ext.panel.Panel', { + id: this.id + "-container", + x: this.templateData.xMargin, + y: this.templateData.yMargin, + width : this.templateData.width + 1, + height : this.templateData.height + 1, + // cls:'border-grid', + frame: false, + border: false, + bodyStyle: 'background:transparent;', + + items : [ + { + html : this.getSVG(), + width : this.templateData.width + 1, + height : this.templateData.height + 1 + } + ], + + }); + + this.panel.on('boxready', function() { + if(_this.templateData.enableMainClick) { + $("#" + _this.id).unbind('click').click(function(sender){ + _this.onClick.notify(sender.target.id); + }); + } + if(_this.templateData.enableMainMouseOver) { + $("#" + _this.id).unbind('mouseover').mouseover(function(sender){ + _this.onMouseOver.notify(_this); + }); + + $("#" + _this.id).unbind('mouseout').mouseout(function(sender){ + _this.onMouseOut.notify(_this); + }); + } + }); + + return this.panel; + +}; + +ContainerWidget.prototype.loadSamples = function (samples) { + this.samples = samples; + if (samples){ + if (samples.length > 0){ + this.containerId = samples[0].Container_containerId; + } + } +}; + +ContainerWidget.prototype.getSVG = function (samples) { + var html = ""; + dust.render("container.widget.template", this.templateData, function(err, out){ + html = out; + }); + + return html; +}; + +ContainerWidget.prototype.focus = function (bool) { + if (bool){ + $("#" + this.id).addClass("puck-selected"); + } else { + $("#" + this.id).removeClass("puck-selected"); + } +}; \ No newline at end of file diff --git a/js/core/widget/parcelpanel.js b/js/core/widget/parcelpanel.js index 4f442fb3f..6d92428e0 100644 --- a/js/core/widget/parcelpanel.js +++ b/js/core/widget/parcelpanel.js @@ -6,10 +6,20 @@ * @constructor */ function ParcelPanel(args) { + var _this = this; + + this.test="A"; this.id = BUI.id(); this.height = 500; this.width = 500; - this.pucksPanelHeight = 200; + this.index = 0; + this.containersPanelHeight = 400; + this.containersPanelWidth = this.width*9/12 - 30; + this.containersParcelWidth = 2*this.containersPanelHeight*0.9/2 + 20; + // this.containersParcelWidth = 2*this.containersPanelHeight*0.2 + 20; + this.shippingId = 0; + this.shippingStatus = ""; + this.containersPanel = null; this.isSaveButtonHidden = false; this.isHidden = false; @@ -17,134 +27,244 @@ function ParcelPanel(args) { if (args != null) { if (args.height != null) { this.height = args.height; + this.containersPanelHeight = this.height*0.9; + this.containersParcelWidth = 2*this.containersPanelHeight*0.9/2 + 20; } if (args.width != null) { this.width = args.width; + this.containersPanelWidth = this.width*9/12 - 30; + } + if (args.index != null) { + this.index = args.index; + } + if (args.shippingId != null) { + this.shippingId = args.shippingId; + } + if (args.shippingStatus != null) { + this.shippingStatus = args.shippingStatus; } } this.onSavedClick = new Event(this); + } -/** -* It inserts a panel into the this.panel with the template parcelformsummary -* -* @method addHeaderPanel -*/ -ParcelPanel.prototype.addHeaderPanel = function() { - var html = "No information"; - dust.render("parcel.header.shipping.template", this.dewar, function(err, out){ +ParcelPanel.prototype.load = function(dewar, shipment) { + var _this = this; + this.dewar = dewar; + this.dewar.index = this.index; + this.shipment = shipment; + + /** Loading the template **/ + var html = ""; + dust.render("parcel.panel.template", {id : this.id, dewar : this.dewar, height : this.height, width : this.width}, function(err, out){ html = out; - }); - - this.panel.add(0, - { - // cls : 'border-grid', - xtype : 'container', - // width : this.width - 50, - border : 1, - padding : 1, - items : { - xtype : 'container', - layout : 'hbox', - items : _.concat(this._getTopButtons(), - {html : html, margin : 12}) - } - } - ); + }); + + /** Setting click listeners **/ + $('#' + this.id).hide().html(html).fadeIn("fast"); + this.panel.doLayout(); + + if (this.shippingStatus != "processing"){ + $("#" + this.id + "-add-button").removeClass("disabled"); + $("#" + this.id + "-add-button").click(function () { + _this.showAddContainerForm(); + }); + + $("#" + this.id + "-edit-button").removeClass("disabled"); + $("#" + this.id + "-edit-button").click(function () { + _this.showCaseForm(); + }); + } + + $("#" + this.id + "-print-button").click(function () { + var dewarId = _this.dewar.dewarId; + var url = EXI.getDataAdapter().proposal.shipping.getDewarLabelURL(dewarId, dewarId); + location.href = url; + return; + }); + + this.containersPanel = Ext.create('Ext.panel.Panel', { + id : this.id + "-containers-panel", + // layout : 'hbox', + cls : "border-grid-light", + margin : this.height*0.0 + ' 0 ' + this.height*0.05 + ' 0', + width : this.containersPanelWidth, + height : this.containersPanelHeight, + autoScroll : false, + items : [], + renderTo : this.id + "-container-panel-div", + }); + + /** Set parameters **/ + this.renderShipmentParameters(dewar); + + /** Rendering pucks **/ + this.renderPucks(dewar); }; -ParcelPanel.prototype.render = function() { - var _this = this; +ParcelPanel.prototype.renderShipmentParameters = function (dewar) { + var html = ""; + dust.render("parcel.panel.parameter.table.template", {id : this.id, dewar : dewar, height : this.height}, function(err, out){ + html = out; + }); - var dewar = this.dewar; - this.panel.removeAll(); - this.addHeaderPanel(); - + $('#' + this.id + "-parameters-div").hide().html(html).fadeIn("fast"); + if (dewar.comments != "" && dewar.comments != null) { + $('#' + this.id + "-comments").hide().html("Comments: " + dewar.comments).fadeIn("fast"); + $('#' + this.id + "-index-td").attr('rowspan',2); + $('#' + this.id + "-buttons-td").attr('rowspan',2); + this.panel.setHeight(this.height + 25); + } else { + this.panel.setHeight(this.height); + $('#' + this.id + "-index-td").attr('rowspan',1); + $('#' + this.id + "-buttons-td").attr('rowspan',1); + } + this.panel.doLayout(); +}; + +ParcelPanel.prototype.renderPucks = function (dewar) { + var _this = this; + + this.containersPanel.setLoading(false); if (dewar != null){ if (dewar.containerVOs != null){ - var pucksPanel = Ext.create('Ext.panel.Panel', { - layout : 'hbox', - cls : "border-grid", - margin: '0 0 0 6px', - width : this.width - 15, - height : this.pucksPanelHeight + 20, - autoScroll : true, - items : [] - }); + this.containersPanel.removeAll(); + var stockSolutions = EXI.proposalManager.getStockSolutionsByDewarId(dewar.dewarId); - this.panel.add(pucksPanel); + if (dewar.containerVOs.length) + var maxNumberForRow = Math.floor(this.containersPanel.width/this.containersParcelWidth); + if (maxNumberForRow == null){ + maxNumberForRow = Math.floor(this.containersPanel.width/this.containersParcelWidth); + } + var rows = Math.ceil((this.dewar.containerVOs.length + stockSolutions.length)/maxNumberForRow); + var containerRows = []; + for (var i = 0 ; i < rows ; i++) { + var containerRow = Ext.create('Ext.panel.Panel', { + layout : 'hbox', + // cls : "border-grid", + // margin : this.height*0.05 + ' 0 0 0', + width : this.containersPanelWidth, + height : this.containersPanelHeight/rows, + autoScroll : false, + items : [] + }); + containerRows.push(containerRow); + this.containersPanel.insert(containerRow); + } + + /** Sorting container by id **/ dewar.containerVOs.sort(function(a, b){return a.containerId - b.containerId;}); - var puckPanelsMap = {}; - var containerIds = []; - + var containerPanelsMap = {}; + var containerIds = []; + for (var i = 0; i< dewar.containerVOs.length; i++){ var container = dewar.containerVOs[i]; - var puckPanel = new PuckParcelPanel({height : this.pucksPanelHeight , containerId : container.containerId, capacity : container.capacity, code : container.code}); - puckPanel.onPuckRemoved.attach(function (sender, containerId) { - _.remove(_this.dewar.containerVOs, {containerId: containerId}); - _this.load(_this.dewar); - }); - puckPanel.onPuckSaved.attach(function (sender, puck) { - _.remove(_this.dewar.containerVOs, {containerId: puck.containerId}); - _this.dewar.containerVOs.push(puck); - _this.load(_this.dewar); - }); - puckPanelsMap[container.containerId] = puckPanel; - containerIds.push(container.containerId); - pucksPanel.insert(puckPanel.getPanel()); + var containerParcelPanel = new ContainerParcelPanel({type : container.containerType, height : this.containersPanelHeight/rows, width : this.containersParcelWidth,containerId : container.containerId, shippingId : this.shippingId, shippingStatus : this.shippingStatus, capacity : container.capacity, code : container.code}); + containerParcelPanel.onContainerRemoved.attach(function (sender, containerId) { + _.remove(_this.dewar.containerVOs, {containerId: containerId}); + _this.renderPucks(_this.dewar); + }); + containerPanelsMap[container.containerId] = containerParcelPanel; + containerIds.push(container.containerId); + + containerRows[Math.floor(i/maxNumberForRow)].insert(containerParcelPanel.getPanel()); } - - if (!_.isEmpty(puckPanelsMap)) { - - var onSuccess = function (sender, samples) { - if (samples) { - var samplesMap = {}; - for (var i = 0 ; i < samples.length ; i++) { - var sample = samples[i]; - if (samplesMap[sample.Container_containerId]){ - samplesMap[sample.Container_containerId].push(sample); - } else { - samplesMap[sample.Container_containerId] = [sample]; - } - } - _.each(samplesMap, function(samples, containerId) { - puckPanelsMap[containerId].load(samples); - }); - } - } + + for (var i = 0; i< stockSolutions.length; i++){ + $('#hoveringTooltipDiv-' + stockSolutions[i].stockSolutionId).remove(); + var containerParcelPanel = new ContainerParcelPanel({type : "StockSolution", height : this.containersPanelHeight/rows, width : this.containersParcelWidth,containerId : stockSolutions[i].stockSolutionId, shippingId : this.shippingId, shippingStatus : this.shippingStatus, code : stockSolutions[i].name}); + containerPanelsMap[stockSolutions[i].boxId] = containerParcelPanel; + containerIds.push(stockSolutions[i].boxId); + containerParcelPanel.onContainerRemoved.attach(function (sender, stockSolutionId) { + var stockSolution = EXI.proposalManager.getStockSolutionById(stockSolutionId); + stockSolution.boxId = null; - EXI.getDataAdapter({onSuccess : onSuccess}).mx.sample.getSamplesByContainerId(containerIds); - } - } - } -}; + var onSuccess = function(sender, container){ + EXI.proposalManager.get(true); + _this.renderPucks(_this.dewar); + }; + + EXI.getDataAdapter({onSuccess : onSuccess}).saxs.stockSolution.saveStockSolution(stockSolution); + }); + + containerRows[Math.floor((i + dewar.containerVOs.length)/maxNumberForRow)].insert(containerParcelPanel.getPanel()); + } -ParcelPanel.prototype.load = function(dewar) { - this.dewar = dewar; - try { - /** Rendering pucks **/ - this.render(); - } - catch(e){ - console.log(e); + if (!_.isEmpty(containerPanelsMap)) { + + var onSuccess = function (sender, samples) { + if (samples) { + var samplesMap = {}; + for (var i = 0 ; i < samples.length ; i++) { + var sample = samples[i]; + if (samplesMap[sample.Container_containerId]){ + samplesMap[sample.Container_containerId].push(sample); + } else { + samplesMap[sample.Container_containerId] = [sample]; + } + } + _.each(samplesMap, function(samples, containerId) { + containerPanelsMap[containerId].load(samples); + }); + } + } + + EXI.getDataAdapter({onSuccess : onSuccess}).mx.sample.getSamplesByContainerId(containerIds); + } + } } -}; +} /** -* It inserts a new puck into the dewar and reloads the widget +* It inserts a new container into the dewar and reloads the widget * -* @method addPuckToDewar +* @method addContainerToDewar */ -ParcelPanel.prototype.addPuckToDewar = function() { +ParcelPanel.prototype.addContainerToDewar = function(containerVO) { var _this = this; - var onSuccess = function(sender, puck){ - _this.dewar.containerVOs.push(puck); - _this.load(_this.dewar); - }; - EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.addPuck(this.dewar.dewarId, this.dewar.dewarId); + this.containersPanel.setLoading(); + if (containerVO.containerType == "STOCK SOLUTION"){ + var stockSolution = EXI.proposalManager.getStockSolutionById(containerVO.data.stockSolutionId); + stockSolution.boxId = this.dewar.dewarId; + if (containerVO.code != "") { + stockSolution.name = containerVO.code; + } + var onSuccess = function(sender, container){ + EXI.proposalManager.get(true); + _this.renderPucks(_this.dewar); + }; + + EXI.getDataAdapter({onSuccess : onSuccess}).saxs.stockSolution.saveStockSolution(stockSolution); + } else { + var onSuccess = function(sender, container){ + container.code = containerVO.code; + container.containerStatus = _this.dewar.dewarStatus; + container.sampleChangerLocation = _this.dewar.storageLocation; + if (_this.shipment) { + if (_this.shipment.sessions && _this.shipment.sessions.length > 0) { + container.beamlineLocation = _this.shipment.sessions[0].beamlineName; + } + } + container.sampleVOs = []; + _this.dewar.containerVOs.push(container); + + var onSaveSuccess = function (sender) { + _this.renderPucks(_this.dewar); + } + var onError = function(sender,error) { + EXI.setError(error.responseText); + _this.renderPucks(_this.dewar); + }; + + EXI.getDataAdapter({onSuccess : onSaveSuccess, onError : onError}).proposal.shipping.saveContainer(_this.shippingId, _this.dewar.dewarId, container.containerId, container); + }; + + EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.addContainer(this.shippingId, this.dewar.dewarId, containerVO.containerType, containerVO.capacity); + + } }; /** @@ -165,19 +285,19 @@ ParcelPanel.prototype.showCaseForm = function() { items: [ caseForm.getPanel(_this.dewar) ], - listeners : { - afterrender : function(component, eOpts) { - if (_this.puck != null){ - _this.render(_this.puck); - } - } - }, + // listeners : { + // afterrender : function(component, eOpts) { + // if (_this.puck != null){ + // _this.load(_this.puck); + // } + // } + // }, buttons : [ { text : 'Save', handler : function() { _this.onSavedClick.notify(caseForm.getDewar()); - _this.render(); window.close(); + _this.renderShipmentParameters(_this.dewar); } }, { text : 'Cancel', @@ -189,74 +309,52 @@ ParcelPanel.prototype.showCaseForm = function() { window.show(); }; -ParcelPanel.prototype._getTopButtons = function() { +/** +* It displays a window with an adding container form +* +* @method showAddContainerForm +*/ +ParcelPanel.prototype.showAddContainerForm = function() { var _this = this; - var actions = []; - - - // actions.push(this.code); - // actions.push(this.status); - // actions.push(this.storageCondition); - - actions.push(Ext.create('Ext.Button', { - icon : '../images/icon/edit.png', - text : 'Edit', - cls : 'x-btn x-unselectable x-box-item x-toolbar-item x-btn-default-toolbar-small x-icon-text-left x-btn-icon-text-left x-btn-default-toolbar-small-icon-text-left', - margin : 5, - disabled : false, - handler : function(widget, event) { - _this.showCaseForm(); - } - })); - - actions.push(Ext.create('Ext.Button', { - icon : '../images/print.png', - text : 'Print Labels', - cls : 'x-btn x-unselectable x-box-item x-toolbar-item x-btn-default-toolbar-small x-icon-text-left x-btn-icon-text-left x-btn-default-toolbar-small-icon-text-left', - margin : 5, - disabled : false, - handler : function(widget, event) { - var dewarId = _this.dewar.dewarId; - var url = EXI.getDataAdapter().proposal.shipping.getDewarLabelURL(dewarId, dewarId); - location.href = url; - return; - } - })); - - actions.push(Ext.create('Ext.Button', { - icon : '../images/icon/add.png', - text : 'Add puck', - cls : 'x-btn x-unselectable x-box-item x-toolbar-item x-btn-default-toolbar-small x-icon-text-left x-btn-icon-text-left x-btn-default-toolbar-small-icon-text-left', - margin : 5, - disabled : false, - handler : function(widget, event) { - _this.addPuckToDewar(); - } - })); - - return actions; -}; + /** Opens a window with the cas form **/ + var addContainerForm = new AddContainerForm(); + addContainerForm.onSave.attach(function(sender,container){ + _this.addContainerToDewar(container); + window.close(); + }) -ParcelPanel.prototype.getPanel = function() { - var _this = this; + addContainerForm.onCancel.attach(function(sender){ + window.close(); + }) - this.panel = Ext.create('Ext.panel.Panel', { + var window = Ext.create('Ext.window.Window', { + title: 'Container', + height: 450, + width: 600, + modal : true, + layout: 'fit', + items: [ + addContainerForm.getPanel(_this.dewar) + ], + }); + window.show(); +}; + +ParcelPanel.prototype.getPanel = function() { + this.panel = Ext.create("Ext.panel.Panel",{ cls : "border-grid", margin : 10, height : this.height, width : this.width, - autoScroll : true, - items : [], + autoScroll : false, + items : [{ + html : '
', + autoScroll : false, + padding : this.padding, + width : this.width + }] }); - // this.panel.addDocked({ - // id : _this.id + 'tbar', - // height : 45, - // xtype : 'toolbar', - // items : _this._getTopButtons(), - // cls : 'exi-top-bar' - // }); - return this.panel; -}; +}; \ No newline at end of file diff --git a/js/core/widget/puckparcelpanel.js b/js/core/widget/puckparcelpanel.js deleted file mode 100644 index b803e90a1..000000000 --- a/js/core/widget/puckparcelpanel.js +++ /dev/null @@ -1,208 +0,0 @@ -/** -* Renders a panel that contains a puck widget and two buttons -* -* @class PuckParcelPanel -* @constructor -*/ -function PuckParcelPanel(args) { - this.height = 220; - this.containerId = 0; - this.code = ""; - this.data = {puckType : "Unipuck", - mainRadius : this.height*0.3, - xMargin : this.width/2 - this.height*0.3, - yMargin : 2.5, - enableMouseOver : true - }; - this.width = 2*this.data.mainRadius + 20; - - if (args != null) { - if (args.height != null) { - this.height = args.height; - this.data.mainRadius = this.height*0.3; - this.width = 2*this.data.mainRadius + 20; - this.data.xMargin = this.width/2 - this.data.mainRadius; - } - if (args.width != null) { - this.width = args.width; - } - if (args.containerId != null) { - this.containerId = args.containerId; - } - if (args.code != null) { - this.code = args.code; - } - if (args.capacity != null) { - if (args.capacity != 16) { - this.data.puckType = "Spinepuck"; - } - } - } - - this.onPuckRemoved = new Event(this); - this.onPuckSaved = new Event(this); - -}; - -/** -* Returns the panel containing the puck and the buttons -* -* @class load -* @return The panel containing the puck and the buttons -*/ -PuckParcelPanel.prototype.getPanel = function () { - - this.puck = new PuckWidgetContainer(this.data); - - this.puckPanel = Ext.create('Ext.panel.Panel', { - width : this.width, - height : 2*this.data.mainRadius + 5, - items : [this.puck.getPanel()] - }); - - this.panel = Ext.create('Ext.panel.Panel', { - // cls : 'border-grid', - width : this.width, - height : this.height, - items : [{ - html : this.getCodeHeader(), - margin : 5, - x : this.data.xMargin - }, - this.puckPanel, - this.getButtons()] - }); - - return this.panel; -}; - -/** -* Loads the puck with the given samples -* -* @class load -* @return -*/ -PuckParcelPanel.prototype.load = function (samples) { - this.puck = new PuckWidgetContainer(this.data); - this.puckPanel.removeAll(); - this.puckPanel.add(this.puck.getPanel()); - - this.puck.loadSamples(samples); - this.containerId = this.puck.puckWidget.containerId; -}; - -/** -* Returns a panel with the buttons -* -* @class getCodeHeader -* @return The html of the code header -*/ -PuckParcelPanel.prototype.getCodeHeader = function () { - var templateData = {info : [{ - text : 'Code:', - value : this.code - }] - } - var html = ""; - dust.render("info.grid.template", templateData, function(err, out){ - html = out; - }); - return html; -}; - - -/** -* Returns a panel with the buttons -* -* @class getButtons -* @return A panel with the buttons -*/ -PuckParcelPanel.prototype.getButtons = function () { - var _this = this; - - this.buttons = Ext.create('Ext.panel.Panel', { - layout: { - type: 'hbox', - align: 'middle', - pack: 'center' - }, - width : this.width, - items : [ - { - xtype: 'button', - margin : 5, - icon : '../images/icon/edit.png', - handler : function(widget, e) { - var puckForm = new PuckForm({ - width : Ext.getBody().getWidth() - 150 - }); - - puckForm.onRemoved.attach(function(sender, containerId){ - _this.onPuckRemoved.notify(containerId); - window.close(); - }); - puckForm.onSaved.attach(function(sender, puck){ - _this.onPuckSaved.notify(puck); - window.close(); - }); - var window = Ext.create('Ext.window.Window', { - title: 'Edit Puck', - height: 700, - width: Ext.getBody().getWidth() - 100, - modal : true, - resizable : true, - layout: 'fit', - items: puckForm.getPanel() - }).show(); - - if (_this.containerId != null){ - var onSuccess = function(sender, puck){ - puckForm.load(puck); - }; - EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.getContainerById(_this.containerId,_this.containerId,_this.containerId); - } - } - },{ - xtype: 'button', - margin : 5, - cls:'btn-remove', - icon : '../images/icon/ic_highlight_remove_black_24dp.png', - handler: function(){ - function showResult(result){ - if (result == "yes"){ - _this.removePuck(); - } - } - Ext.MessageBox.show({ - title:'Remove', - msg: 'Removing a puck from this parcel will remove also its content.
Are you sure you want to continue?', - buttons: Ext.MessageBox.YESNO, - fn: showResult, - animateTarget: 'mb4', - icon: Ext.MessageBox.QUESTION - }); - } - } - ] - }); - - return this.buttons; -}; - -/** -* Removes the puck from the database -* -* @class removePuck -* @return -*/ -PuckParcelPanel.prototype.removePuck = function() { - var _this = this; - this.panel.setLoading(); - var onSuccess = function(sender, data){ - _this.panel.setLoading(false); - _this.onPuckRemoved.notify(_this.containerId); - }; - var containerId = this.containerId; - EXI.getDataAdapter({onSuccess: onSuccess}).proposal.shipping.removeContainerById(containerId,containerId,containerId ); - -}; \ No newline at end of file diff --git a/js/core/widget/sessiongrid.js b/js/core/widget/sessiongrid.js index a1b458401..feb877189 100644 --- a/js/core/widget/sessiongrid.js +++ b/js/core/widget/sessiongrid.js @@ -68,11 +68,13 @@ function SessionGrid(args) { SessionGrid.prototype.load = function(sessions) { - this.sessions = sessions; - this.store.loadData(sessions, false); + /** Filtering session by the beamlines of the configuration file */ + this.sessions = _.filter(sessions, function(o){ return _.includes(EXI.credentialManager.getBeamlineNames(), o.beamLineName); }); + this.store.loadData(this.sessions, false); }; SessionGrid.prototype.filterByBeamline = function(beamlines) { + console.log(beamlines); if (beamlines){ if (beamlines.length > 0){ var filtered = []; @@ -95,9 +97,13 @@ SessionGrid.prototype.getToolbar = function(sessions) { if (selected){ _this.beamlineFilter.push(a.boxLabel); } - else{ - _this.beamlineFilter =_.remove(_this.beamlineFilter,a.boxLabel ); + else{ + + _this.beamlineFilter =_.remove(_this.beamlineFilter, function(n) { + return n != a.boxLabel; + }); } + _this.filterByBeamline(_this.beamlineFilter); }; diff --git a/js/core/widget/stocksolutioncontainer.js b/js/core/widget/stocksolutioncontainer.js new file mode 100644 index 000000000..7fc8684af --- /dev/null +++ b/js/core/widget/stocksolutioncontainer.js @@ -0,0 +1,172 @@ +function StockSolutionContainer(args) { + this.id = BUI.id(); + + this.templateData = { + id : this.id, + xmargin : 0, + ymargin : 0, + mainRadius : 50, + width : 100, + height : 100, + imgH : 42, + imgW : 42, + margin : 15, + stockId : 0, + // rInner : 10, + enableMainClick : false, + code : "", + enableClick : false, + enableMainMouseOver : false + }; + + this.stockSolutionId = 0; + this.samples = null; + this.code = ""; + + if (args){ + if (args.code){ + this.code = args.code; + } + if (args.xMargin){ + this.templateData.xMargin = args.xMargin; + } + if (args.yMargin){ + this.templateData.yMargin = args.yMargin; + } + if (args.enableMainClick != null){ + this.templateData.enableMainClick = args.enableMainClick; + } + if (args.enableMainClick != null){ + this.templateData.enableMainClick = args.enableMainClick; + } + if (args.mainRadius){ + this.templateData.mainRadius = args.mainRadius; + this.templateData.width = 2*args.mainRadius; + this.templateData.height = 2*args.mainRadius; + this.templateData.imgH = this.templateData.height*0.7; + this.templateData.imgW = this.templateData.width*0.7; + this.templateData.margin = (this.templateData.width - this.templateData.imgW)*0.5; + } + if (args.code) { + this.templateData.code = args.code; + } + if (args.enableClick != null) { + this.templateData.enableClick = args.enableClick; + } + if (args.stockSolutionId) { + this.stockSolutionId = args.stockSolutionId; + var stockSolution = EXI.proposalManager.getStockSolutionById(this.stockSolutionId); + this.templateData.macromoleculeAcronym = EXI.proposalManager.getMacromoleculeById(stockSolution.macromoleculeId).acronym; + this.templateData.buffer = EXI.proposalManager.getBufferById(stockSolution.bufferId).acronym; + this.templateData.stockId = this.stockSolutionId; + } + } + + this.onClick = new Event(this); + this.onMouseOver = new Event(this); + this.onMouseOut = new Event(this); +}; + +StockSolutionContainer.prototype.getPanel = function () { + + var _this = this; + + this.panel = Ext.create('Ext.panel.Panel', { + id: this.id + "-container", + x: this.templateData.xMargin, + y: this.templateData.yMargin, + width : this.templateData.width + 1, + height : this.templateData.height + 1, + cls:'border-grid', + frame: false, + border: false, + bodyStyle: 'background:transparent;', + + items : [ + { + html : this.getHTML(), + width : this.templateData.width + 1, + height : this.templateData.height + 1 + } + ], + + }); + + this.panel.on('boxready', function() { + if(_this.templateData.enableMainClick) { + $("#" + _this.id).unbind('click').click(function(sender){ + _this.onClick.notify(sender.target.id); + }); + } + _this.setOnMouseOverEvent(); + }); + + return this.panel; + +}; + +StockSolutionContainer.prototype.loadSamples = function (samples) { + this.samples = samples; + if (samples){ + if (samples.length > 0){ + this.containerId = samples[0].Container_containerId; + } + } +}; + +StockSolutionContainer.prototype.getHTML = function (samples) { + var html = ""; + if (this.templateData.height < 40) { + this.templateData.fillPanel = false; + } else { + this.templateData.fillPanel = true; + } + dust.render("stock.solution.container.template", this.templateData, function(err, out){ + html = out; + }); + + return html; +}; + +StockSolutionContainer.prototype.setOnMouseOverEvent = function () { + var _this = this; + + $("#" + this.id).unbind('mouseover').mouseover(function(sender){ + _this.onMouseOver.notify(_this); + if (_this.templateData.height < 40){ + var id = sender.currentTarget.id; + $("#" + id).addClass("stock-solution-focus"); + + // TOOLTIP + var tooltipHtml = ""; + dust.render("stock.solution.tooltip.template", _this.templateData, function(err, out) { + tooltipHtml = out; + }); + $('body').append(tooltipHtml); + $('#hoveringTooltipDiv-' + _this.stockSolutionId).css({ + "top" : $(this).offset().top, + "left" : $(this).offset().left + _this.templateData.width + }); + } + }); + + $("#" + this.id).unbind('mouseout').mouseout(function(sender){ + _this.onMouseOut.notify(_this); + if (_this.templateData.height < 40){ + var stockId = sender.currentTarget.id; + $("#" + stockId).removeClass("stock-solution-focus"); + + // TOOLTIP + $('#hoveringTooltipDiv-' + _this.stockSolutionId).remove(); + } + }); + +} + +StockSolutionContainer.prototype.focus = function (bool) { + if (bool){ + $("#" + this.id + "-container").addClass("stock-solution-selected"); + } else { + $("#" + this.id + "-container").removeClass("stock-solution-selected"); + } +}; \ No newline at end of file diff --git a/js/core/widget/stocksolutionsgrid.js b/js/core/widget/stocksolutionsgrid.js new file mode 100644 index 000000000..5cf2c553a --- /dev/null +++ b/js/core/widget/stocksolutionsgrid.js @@ -0,0 +1,89 @@ +/** + * Grid rendering the stock solutions + * + */ +function StockSolutionsGrid(args) { + this.id = BUI.id(); + this.width = 600; + this.padding = 0; + + if (args != null) { + if (args.width != null) { + this.width = args.width; + } + if (args.width != null) { + this.padding = args.padding; + } + } + + this.onSelected = new Event(this); +} + +StockSolutionsGrid.prototype.getPanel = function () { + var _this = this; + this.store = Ext.create('Ext.data.Store', { + storeId:'stockSolutionsGridStore', + fields: ["acronym","buffer","concentration","volume"], + data: [] + }); + + this.panel = Ext.create('Ext.grid.Panel', { + width: this.width, + border: 1, + store: this.store, + disableSelection: false, + flex:0.5, + columns: [ + { + header: 'Acronym', + dataIndex: 'acronym', + type: 'text', + flex: 1, + readOnly: true + }, + { + header: 'Buffer', + dataIndex: 'buffer', + type: 'text', + flex: 1, + readOnly: true + }, + { + header: 'Concentration (mg/ml)', + dataIndex: 'concentration', + type: 'text', + flex: 1, + readOnly: true + }, + { + header: 'Volume (μl)', + dataIndex: 'volume', + type: 'text', + flex: 1, + readOnly: true + } + ], + listeners : { + itemclick: function(grid, record, item, index, e) { + _this.onSelected.notify(record); + } + } + }); + + return this.panel; +} + +StockSolutionsGrid.prototype.load = function (stockSolutions) { + this.stockSolutions = stockSolutions; + var data = []; + for (var i=0 ; i < stockSolutions.length ; i++) { + data.push({ + acronym : EXI.proposalManager.getMacromoleculeById(stockSolutions[i].macromoleculeId).acronym, + buffer : EXI.proposalManager.getBufferById(stockSolutions[i].bufferId).acronym, + concentration : stockSolutions[i].concentration, + volume : stockSolutions[i].volume, + stockSolutionId : stockSolutions[i].stockSolutionId + }); + } + this.store.loadData(data); +} diff --git a/js/core/widget/uploaderwidget.js b/js/core/widget/uploaderwidget.js index 73be3471b..119613b40 100644 --- a/js/core/widget/uploaderwidget.js +++ b/js/core/widget/uploaderwidget.js @@ -1,8 +1,14 @@ -function UploaderWidget(url){ + +function UploaderWidget(args){ this.id = BUI.id(); - this.url = url; - if (url == null){ + this.url = null; + if (args) { + if (args.url) { + this.url = args.url; + } + } + if (this.url == null){ Ext.Msg.alert('Error', 'Please, set an url'); } @@ -18,40 +24,44 @@ UploaderWidget.prototype.getFileName = function(){ UploaderWidget.prototype.getForm = function(){ var _this = this; return Ext.create('Ext.form.Panel', { - width: 400, + layout: { + type: 'hbox', + align: 'stretch' + }, bodyPadding: 20, border : 0, frame: true, - items: [{ - xtype: 'filefield', - name: 'file', - id : this.id, - fieldLabel: 'File', - labelWidth: 50, - msgTarget: 'side', - allowBlank: false, - anchor: '100%', - buttonText: 'Browse...' - }, - { - xtype : 'hiddenfield', - id : _this.id + 'fileName', - name : 'fileName', - value : '' } - ], - - buttons: [{ + items: [ + { + xtype: 'filefield', + name: 'file', + width: 400, + id : this.id, + fieldLabel: 'File', + labelWidth: 30, + msgTarget: 'side', + allowBlank: false, + buttonText: 'Browse...' + }, + // { + // xtype : 'hiddenfield', + // id : _this.id + 'fileName', + // name : 'fileName', + // value : '' + // }, + { + xtype : 'button', + margin: '0 0 0 2', text: 'Upload', handler: function() { var form = this.up('form').getForm(); if(form.isValid()){ - Ext.getCmp(_this.id + "fileName").setValue(_this.getFileName()); + // Ext.getCmp(_this.id + "fileName").setValue(_this.getFileName()); form.submit({ url: _this.url, waitMsg: 'Uploading your file...', success: function(fp, o) { // Ext.Msg.alert('Success', 'Your file has been uploaded.'); - _this.window.close(); _this.onUploaded.notify(); }, @@ -62,7 +72,8 @@ UploaderWidget.prototype.getForm = function(){ } }); } } - }] + } + ], }); @@ -81,6 +92,4 @@ UploaderWidget.prototype.show = function(){ items: this.getForm() }); this.window.show(); - - }; \ No newline at end of file diff --git a/js/dust/helpers.js b/js/dust/helpers.js index 63858a83d..2bf159863 100644 --- a/js/dust/helpers.js +++ b/js/dust/helpers.js @@ -1,10 +1,22 @@ dust.helpers.decimal = function(chunk, context, bodies, params) { - if (params.key){ + if (params.key){ var value = context.current()[params.key]; + if (params.key.split(".").length > 1) { + var keys = params.key.split("."); + value = context.current()[keys[0]][keys[1]]; + } if (value){ if (params.decimals != null){ try{ - chunk.write(Number(value).toFixed(params.decimals)); + if (params.intIfPossible){ + if (parseInt(Number(value)) == Number(value)) { + chunk.write(parseInt(Number(value))); + } else { + chunk.write(Number(value).toFixed(params.decimals)); + } + } else { + chunk.write(Number(value).toFixed(params.decimals)); + } } catch(e){ @@ -17,15 +29,28 @@ dust.helpers.decimal = function(chunk, context, bodies, params) { chunk.write(context.current()[params.key]); } } - } else{ chunk.write('WARN: NO KEY SET'); } - return chunk; - + return chunk; }; +dust.helpers.dataCollectionComment = function (chunk, context, bodies, params) { + if (params.key) { + var value = context.current()[params.key]; + if (value){ + if (value.trim() != "") { + chunk.write('Comment: ' + value); + } + } + } + else{ + chunk.write('WARN: NO KEY SET'); + } + return chunk; +} + dust.helpers.sizeOf = function(chunk, context, bodies, params) { var value = this.size(chunk, context, bodies, params); return (bodies && bodies.block) ? chunk.render(bodies.block, context.push({ isSelect: true, isResolved: false, selectKey: value })) : value; @@ -59,8 +84,8 @@ dust.helpers.exponential = function(chunk, context, bodies, params) { }; -dust.helpers.mmVolTest = function(chunk, context, bodies, params) { - var value = context.current()["Subtraction_volumePorod"]; +dust.helpers.mmVolTest = function(chunk, context, bodies, params) { + var value = context.current()["Subtraction_volume"]; if (value){ try{ chunk.write(Number(value / 2).toFixed(1) + " - " + Number(value / 1.5).toFixed(1)); @@ -103,4 +128,19 @@ dust.helpers.framesColor = function(chunk, context, bodies, params) { } return chunk; -}; \ No newline at end of file +}; + +dust.helpers.fileName = function (chunk, context, bodies, params) { + var filePath = context.current()["filePath"]; + if (filePath) { + try{ + var withExtension = filePath.substring(filePath.lastIndexOf('/')+1); + chunk.write(withExtension.substring(0,withExtension.indexOf("."))); + } + catch(e){ + /** There was an error, we leave same value */ + chunk.write(context.current()[params.key]); + } + } + return chunk; +} \ No newline at end of file diff --git a/js/mx/controller/mxprepare.js b/js/mx/controller/mxprepare.js index d5e40a83f..2db699ae4 100644 --- a/js/mx/controller/mxprepare.js +++ b/js/mx/controller/mxprepare.js @@ -30,16 +30,16 @@ MxPrepare.prototype.init = function() { mainView.load(); }).enter(this.setPageBackground); - Path.map("#/mx/prepare/main/selectSampleChanger").to(function() { - EXI.clearNavigationPanel(); - var mainView = new PrepareMainView({currentStep : 2}); - EXI.addMainPanel(mainView); - mainView.load(); - }).enter(this.setPageBackground); + // Path.map("#/mx/prepare/main/selectSampleChanger").to(function() { + // EXI.clearNavigationPanel(); + // var mainView = new PrepareMainView({currentStep : 2}); + // EXI.addMainPanel(mainView); + // mainView.load(); + // }).enter(this.setPageBackground); Path.map("#/mx/prepare/main/loadSampleChanger").to(function() { EXI.clearNavigationPanel(); - var mainView = new PrepareMainView({currentStep : 3}); + var mainView = new PrepareMainView({currentStep : 2}); EXI.addMainPanel(mainView); mainView.load(); }).enter(this.setPageBackground); diff --git a/js/mx/view/autoprocintegration/autoprocintegrationgrid.js b/js/mx/view/autoprocintegration/autoprocintegrationgrid.js index a57510dab..68b9e9858 100644 --- a/js/mx/view/autoprocintegration/autoprocintegrationgrid.js +++ b/js/mx/view/autoprocintegration/autoprocintegrationgrid.js @@ -110,7 +110,8 @@ AutoProcIntegrationGrid.prototype.getPhasing = function(data) { return phasing; }; -AutoProcIntegrationGrid.prototype.getCollapseStatistics = function(data) { +AutoProcIntegrationGrid.prototype.getCollapseStatistics = function(data) { + var type = data.scalingStatisticsType.split(","); function getValue(attribute, i, decimals){ @@ -143,7 +144,9 @@ AutoProcIntegrationGrid.prototype.getCollapseStatistics = function(data) { rMerge : getValue(data.rMerge, i, 1), ccHalf : getValue(data.ccHalf, i,1), rPimWithinIPlusIMinus : getValue(data.rPimWithinIPlusIMinus, i,1), - rMeasAllIPlusIMinus : getValue(data.rMeasAllIPlusIMinus, i,1) + rMeasAllIPlusIMinus : getValue(data.rMeasAllIPlusIMinus, i,1), + ccAno : getValue(data.ccAno, i), + sigAno : getValue(data.sigAno, i) }; @@ -185,7 +188,9 @@ AutoProcIntegrationGrid.prototype.getStatistics = function(data) { rMerge : getValue(data.rMerge, i), ccHalf : getValue(data.ccHalf, i), rPimWithinIPlusIMinus : getValue(data.rPimWithinIPlusIMinus, i), - rMeasAllIPlusIMinus : getValue(data.rMeasAllIPlusIMinus, i) + rMeasAllIPlusIMinus : getValue(data.rMeasAllIPlusIMinus, i), + ccAno : getValue(data.ccAno, i), + sigAno : getValue(data.sigAno, i) }); diff --git a/js/mx/view/datacollection/datacollectiongrid.js b/js/mx/view/datacollection/datacollectiongrid.js index 8edf82a21..6595228dd 100644 --- a/js/mx/view/datacollection/datacollectiongrid.js +++ b/js/mx/view/datacollection/datacollectiongrid.js @@ -35,7 +35,6 @@ DataCollectionGrid.prototype.load = function(dataCollectionGroup){ }; DataCollectionGrid.prototype.getPanel = function (dataCollectionGroup) { - var _this = this; this.panel = Ext.create('Ext.grid.Panel', { border: 1, store: this.store, diff --git a/js/mx/view/datacollection/grid/containersdatacollectiongrid.js b/js/mx/view/datacollection/grid/containersdatacollectiongrid.js new file mode 100644 index 000000000..ae03649b8 --- /dev/null +++ b/js/mx/view/datacollection/grid/containersdatacollectiongrid.js @@ -0,0 +1,247 @@ +/** +* Displays the containers of the data collections by session or acronym of the protein +* +* @class ContainersDataCollectionGrid +* @constructor +*/ +function ContainersDataCollectionGrid(args) { + this.legend = new PuckLegend({width : 300, height : 50, cy : "12.5%", tOffset : 30}); +} + +ContainersDataCollectionGrid.prototype.getPanel = function (dataCollectionGroup) { + var _this = this; + this.store = Ext.create('Ext.data.Store', { + fields: ["dataCollectionGroup"] + }); + + this.panel = Ext.create('Ext.grid.Panel', { + border: 1, + store: this.store, + columns: this.getColumns(), + disableSelection: true, + viewConfig : { + trackOver : false + } + }); + + this.container = Ext.create('Ext.panel.Panel', { + items : [ + this.legend.getPanel(), + this.panel] + }); + + + return this.container; +}; + +ContainersDataCollectionGrid.prototype.getColumns = function() { + var _this = this; + var columns = [ + { + dataIndex: 'dataCollectionGroup', + name: 'dataCollectionGroup', + flex: 1.5, + hidden: false, + renderer: function(grid, e, record) { + + var data = record.data; + var nContainers = data.containerIds.length; + + var html = ""; + + dust.render("containers.mxdatacollectiongrid.template", data, function(err, out) { + html = html + out; + }); + + if (data.containerIds.length > 0){ + var pucksPanelHeight = 300; + var dataCollectionIdsPerContainer = {}; + // var pucks = {}; + + var tree = $("
" + html + "
"); + + for (var i=0 ; i < data.containerIds.length ; i++){ + var containerIdNumber = Number(data.containerIds[i]); + var containers = _.filter(_this.dataCollectionGroup,{"Container_containerId" : containerIdNumber}); + + if(containers){ + var dataCollectionIds = {}; + for (var j = 1 ; j <= containers[0].Container_capacity ; j++) { + var sampleByLocation = _.filter(containers,{"BLSample_location":j.toString()}); + if (sampleByLocation.length > 0) { + var ids = []; + for (sample in sampleByLocation){ + ids.push(sampleByLocation[sample].DataCollection_dataCollectionId); + } + dataCollectionIds[j] = ids.toString(); + } + } + dataCollectionIdsPerContainer[data.containerIds[i]] = dataCollectionIds; + // var attributesContainerWidget = {mainRadius : pucksPanelHeight/4, + // enableMouseOver : true, + // enableClick : true, + // containerId : containerIdNumber, + // dataCollectionId : containers.DataCollection_dataCollectionId, + // initSelected : data.selected[containerIdNumber], + // dataCollectionIds : dataCollectionIds + // } + // pucks[containerIdNumber] = new UniPuckWidget(attributesContainerWidget); + // if (containers[0].Container_capacity == 10){ + // pucks[containerIdNumber] = new SpinePuckWidget(attributesContainerWidget); + // } + + // tree.find("#puck-panel-" + data.containerIds[i]).html(pucks[containerIdNumber].getPanel().html); + } + } + + var onSuccess = function (sender, samples) { + if (samples) { + for (var i = 0 ; i < data.containerIds.length ; i++) { + var containerId = Number(data.containerIds[i]); + var currentSamples = _.filter(samples,{"Container_containerId":containerId}); + var attributesContainerWidget = { + mainRadius : pucksPanelHeight/4, + enableMouseOver : true, + enableClick : true, + containerId : containerId, + initSelected : data.selected[containerId], + dataCollectionIds : dataCollectionIdsPerContainer[containerId] + } + var locations = _.map(currentSamples,"BLSample_location").map(function (i) {return parseInt(i)}); + var maxLocation = _.max(locations); + var puck = new SpinePuckWidget(attributesContainerWidget); + if (maxLocation != null && maxLocation > 10) { + puck = new UniPuckWidget(attributesContainerWidget); + } + $("#puck-panel-" + containerId).html(puck.getPanel().html); + /**Parsing the samples */ + cells = []; + for (var j=0 ; j < currentSamples.length ; j++) { + var sample = currentSamples[j]; + var selected = false; + if (!_.isEmpty(attributesContainerWidget.initSelected)){ + selected = attributesContainerWidget.initSelected.includes(sample.BLSample_location); + } + var dataCollectionIds = puck.dataCollectionIds[sample.BLSample_location]; + var state = "FILLED"; + if (dataCollectionIds != null && dataCollectionIds.length > 0){ + state = "COLLECTED"; + } + cells.push( + { + location : sample.BLSample_location, + state : state, + selected : selected, + sample_name : sample.BLSample_name, + protein_acronym : sample.Protein_acronym, + protein_name : sample.Protein_name, + containerId : sample.Container_containerId, + container_code : sample.Container_code, + dewarId : sample.Dewar_dewarId, + dataCollectionIds : dataCollectionIds + } + ); + puck.load(cells); + + var infoHtml = ""; + + dust.render("containers.info.mxdatacollectiongrid.template", cells[0], function(err, out) { + infoHtml = infoHtml + out; + }); + + $("#puck-panel-" + containerId + "-info").html(infoHtml); + } + } + } + + // if (samples){ + // var cells = {}; + // for (var i = 0; i < samples.length; i++) { + // var sample = samples[i]; + // var selected = false; + // if (!_.isEmpty(pucks[sample.Container_containerId].initSelected)){ + // selected = pucks[sample.Container_containerId].initSelected.includes(sample.BLSample_location); + // } + // var dataCollectionIds = pucks[sample.Container_containerId].dataCollectionIds[sample.BLSample_location]; + // var state = "FILLED"; + // if (dataCollectionIds != null && dataCollectionIds.length > 0){ + // state = "COLLECTED"; + // } + // // Parse data + // if (cells[sample.Container_containerId] == null){ + // cells[sample.Container_containerId] = []; + // } + + // cells[sample.Container_containerId].push({ + // location : sample.BLSample_location, + // state : state, + // selected : selected, + // sample_name : sample.BLSample_name, + // protein_acronym : sample.Protein_acronym, + // protein_name : sample.Protein_name, + // containerId : sample.Container_containerId, + // container_code : sample.Container_code, + // dewarId : sample.Dewar_dewarId, + // dataCollectionIds : dataCollectionIds + // }); + // } + + // for (containerId in pucks){ + // pucks[containerId].load(cells[containerId]); + // var infoHtml = ""; + + // dust.render("containers.info.mxdatacollectiongrid.template", cells[containerId][0], function(err, out) { + // infoHtml = infoHtml + out; + // }); + + // $("#puck-panel-" + containerId + "-info").html(infoHtml); + // } + // } + }; + html = tree.html(); + EXI.getDataAdapter({onSuccess : onSuccess}).mx.sample.getSamplesByContainerId(data.containerIds); + + }; + + return html; + } + }, + { + header: 'IDs', + dataIndex: 'dataCollectionGroup', + name: 'dataCollectionGroup', + flex: 1.5, + hidden: true, + renderer: function(grid, e, record) { + var html = ""; + dust.render("ids.mxdatacollectiongrid.template", record.data, function(err, out) { + html = out; + }); + return html; + + } + } + ]; + return columns; +}; + +ContainersDataCollectionGrid.prototype.select = function(selectedDataCollectionGroup) { + var selected = {}; + for (sample in selectedDataCollectionGroup){ + if (selected[selectedDataCollectionGroup[sample].Container_containerId] == null){ + selected[selectedDataCollectionGroup[sample].Container_containerId] = [selectedDataCollectionGroup[sample].BLSample_location]; + } else { + selected[selectedDataCollectionGroup[sample].Container_containerId].push(selectedDataCollectionGroup[sample].BLSample_location); + } + } + this.store.loadData([{containerIds : this.getContainersId(this.dataCollectionGroup), selected : selected}]); +}; + +ContainersDataCollectionGrid.prototype.getContainersId = function(dataCollectionGroup) { + return _.filter(Object.keys(_.keyBy(dataCollectionGroup, "Container_containerId")), function(element){return isNumber(element);}); +}; + +ContainersDataCollectionGrid.prototype.load = function(dataCollectionGroup) { + this.dataCollectionGroup = dataCollectionGroup; + this.store.loadData([{containerIds: this.getContainersId(this.dataCollectionGroup), selected :{}}]); +}; diff --git a/js/mx/view/datacollection/grid/mxdatacollectiongrid.js b/js/mx/view/datacollection/grid/mxdatacollectiongrid.js index b0b21ebe0..3718bc496 100644 --- a/js/mx/view/datacollection/grid/mxdatacollectiongrid.js +++ b/js/mx/view/datacollection/grid/mxdatacollectiongrid.js @@ -12,7 +12,7 @@ function MXDataCollectionGrid(args) { this.uncollapsedDataCollectionGrid = new UncollapsedDataCollectionGrid(); this.collapsedDataCollectionGrid = new CollapsedDataCollectionGrid(); - this.platesDataCollectionGrid = new PlatesDataCollectionGrid(); + this.containersDataCollectionGrid = new ContainersDataCollectionGrid(); this.activePanel = this.uncollapsedDataCollectionGrid; } @@ -57,15 +57,15 @@ MXDataCollectionGrid.prototype.getToolBar = function() { onMenuClicked(_this.collapsedDataCollectionGrid); } },{ - text: 'Plates', + text: 'Containers', handler: function(){ - _this.renderingType = "PLATES"; + _this.renderingType = "CONTAINERS"; - if (_this.activePanel != _this.platesDataCollectionGrid){ - _this.activePanel = _this.platesDataCollectionGrid; + if (_this.activePanel != _this.containersDataCollectionGrid){ + _this.activePanel = _this.containersDataCollectionGrid; _this.reloadData(_this.dataCollectionGroup); if (Ext.getCmp(_this.id + "_search").getValue() != "") { - _this.platesDataCollectionGrid.select(_this.filterBy(Ext.getCmp(_this.id + "_search").getValue())); + _this.containersDataCollectionGrid.select(_this.filterBy(Ext.getCmp(_this.id + "_search").getValue())); } } } @@ -91,9 +91,9 @@ MXDataCollectionGrid.prototype.getToolBar = function() { if (e.getKey() == e.ENTER) { _this.filter = field.getValue(); - if (_this.renderingType == "PLATES"){ + if (_this.renderingType == "CONTAINERS"){ if (Ext.getCmp(_this.id + "_search").getValue() != "") { - _this.platesDataCollectionGrid.select(_this.filterBy(Ext.getCmp(_this.id + "_search").getValue())); + _this.containersDataCollectionGrid.select(_this.filterBy(Ext.getCmp(_this.id + "_search").getValue())); } else { Ext.getCmp(_this.id + "_found").setText(""); _this.reloadData(_this.dataCollectionGroup); diff --git a/js/mx/view/datacollection/grid/platesdatacollectiongrid.js b/js/mx/view/datacollection/grid/platesdatacollectiongrid.js deleted file mode 100644 index 1a5297264..000000000 --- a/js/mx/view/datacollection/grid/platesdatacollectiongrid.js +++ /dev/null @@ -1,181 +0,0 @@ -/** -* Displays the plates of the data collections by session or acronym of the protein -* -* @class PlatesDataCollectionGrid -* @constructor -*/ -function PlatesDataCollectionGrid(args) { - -} - -PlatesDataCollectionGrid.prototype.getPanel = function (dataCollectionGroup) { - var _this = this; - this.store = Ext.create('Ext.data.Store', { - fields: ["dataCollectionGroup"] - }); - - this.panel = Ext.create('Ext.grid.Panel', { - border: 1, - store: this.store, - columns: this.getColumns(), - disableSelection: true, - viewConfig : { - trackOver : false - } - }); - return this.panel; -}; - -PlatesDataCollectionGrid.prototype.getColumns = function() { - var _this = this; - var columns = [ - { - dataIndex: 'dataCollectionGroup', - name: 'dataCollectionGroup', - flex: 1.5, - hidden: false, - renderer: function(grid, e, record) { - - var data = record.data; - var nContainers = data.containerIds.length; - - var html = ""; - - dust.render("plates.mxdatacollectiongrid.template", data, function(err, out) { - html = html + out; - }); - - var onSuccess = function (sender, samples) { - if (samples){ - var cells = {}; - for (var i = 0; i < samples.length; i++) { - var sample = samples[i]; - var selected = false; - if (!_.isEmpty(pucks[sample.Container_containerId].initSelected)){ - selected = pucks[sample.Container_containerId].initSelected.includes(sample.BLSample_location); - } - var dataCollectionIds = pucks[sample.Container_containerId].dataCollectionIds[sample.BLSample_location]; - var state = "FILLED"; - if (dataCollectionIds != null && dataCollectionIds.length > 0){ - state = "COLLECTED"; - } - // Parse data - if (cells[sample.Container_containerId] == null){ - cells[sample.Container_containerId] = []; - } - - cells[sample.Container_containerId].push({ - location : sample.BLSample_location, - state : state, - selected : selected, - sample_name : sample.BLSample_name, - protein_acronym : sample.Protein_acronym, - protein_name : sample.Protein_name, - containerId : sample.Container_containerId, - container_code : sample.Container_code, - dewarId : sample.Dewar_dewarId, - dataCollectionIds : dataCollectionIds - }); - } - - for (containerId in pucks){ - pucks[containerId].load(cells[containerId]); - var infoHtml = ""; - - dust.render("plates.info.mxdatacollectiongrid.template", cells[containerId][0], function(err, out) { - infoHtml = infoHtml + out; - }); - - $("#puck-panel-" + containerId + "-info").html(infoHtml); - } - } - }; - - if (data.containerIds.length > 0){ - var pucksPanelHeight = 300; - var pucks = {}; - var tree = $("
" + html + "
"); - for (id in data.containerIds){ - var containerIdNumber = Number(data.containerIds[id]); - var container = _.filter(_this.dataCollectionGroup,{"Container_containerId" : containerIdNumber}); - - if(container){ - var dataCollectionIds = {}; - for (var i = 1 ; i <= container[0].Container_capacity ; i++) { - var sampleByLocation = _.filter(container,{"BLSample_location":i.toString()}); - if (sampleByLocation.length > 0) { - var ids = []; - for (sample in sampleByLocation){ - ids.push(sampleByLocation[sample].DataCollection_dataCollectionId); - } - dataCollectionIds[i] = ids.toString(); - } - } - - pucks[containerIdNumber] = new UniPuckWidget({mainRadius : pucksPanelHeight/4, - enableMouseOver : true, - enableClick : true, - containerId : containerIdNumber, - initSelected : data.selected[containerIdNumber], - dataCollectionIds : dataCollectionIds - }); - if (container[0].Container_capacity == 10){ - pucks[containerIdNumber] = new SpinePuckWidget({mainRadius : pucksPanelHeight/4, - enableMouseOver : true, - enableClick : true, - containerId : containerIdNumber, - dataCollectionId : container.DataCollection_dataCollectionId, - initSelected : data.selected[containerIdNumber], - dataCollectionIds : dataCollectionIds - }); - } - tree.find("#puck-panel-" + data.containerIds[id]).html(pucks[containerIdNumber].getPanel()); - } - } - - EXI.getDataAdapter({onSuccess : onSuccess}).mx.sample.getSamplesByContainerId(data.containerIds); - html = tree.html(); - }; - - return html; - } - }, - { - header: 'IDs', - dataIndex: 'dataCollectionGroup', - name: 'dataCollectionGroup', - flex: 1.5, - hidden: true, - renderer: function(grid, e, record) { - var html = ""; - dust.render("ids.mxdatacollectiongrid.template", record.data, function(err, out) { - html = out; - }); - return html; - - } - } - ]; - return columns; -}; - -PlatesDataCollectionGrid.prototype.select = function(selectedDataCollectionGroup) { - var selected = {}; - for (sample in selectedDataCollectionGroup){ - if (selected[selectedDataCollectionGroup[sample].Container_containerId] == null){ - selected[selectedDataCollectionGroup[sample].Container_containerId] = [selectedDataCollectionGroup[sample].BLSample_location]; - } else { - selected[selectedDataCollectionGroup[sample].Container_containerId].push(selectedDataCollectionGroup[sample].BLSample_location); - } - } - this.store.loadData([{containerIds : this.getContainersId(this.dataCollectionGroup), selected : selected}]); -}; - -PlatesDataCollectionGrid.prototype.getContainersId = function(dataCollectionGroup) { - return _.filter(Object.keys(_.keyBy(dataCollectionGroup, "Container_containerId")), function(element){return isNumber(element);}); -}; - -PlatesDataCollectionGrid.prototype.load = function(dataCollectionGroup) { - this.dataCollectionGroup = dataCollectionGroup; - this.store.loadData([{containerIds: this.getContainersId(this.dataCollectionGroup), selected :{}}]); -}; diff --git a/js/mx/view/datacollection/grid/uncollapseddatacollectiongrid.js b/js/mx/view/datacollection/grid/uncollapseddatacollectiongrid.js index 3c1171677..499dedd93 100644 --- a/js/mx/view/datacollection/grid/uncollapseddatacollectiongrid.js +++ b/js/mx/view/datacollection/grid/uncollapseddatacollectiongrid.js @@ -144,6 +144,7 @@ UncollapsedDataCollectionGrid.prototype.displayPhasingTab = function(target, dat } var node = {}; + node = ({ spaceGroup : spaceGroup, prepare : _.find(stepsBySpaceGroup, {"PhasingStep_phasingStepType" : "PREPARE"}) != null, @@ -199,7 +200,8 @@ UncollapsedDataCollectionGrid.prototype.displayPhasingTab = function(target, dat var mapUrl2 = EXI.getDataAdapter().mx.phasing.downloadPhasingFilesByPhasingAttachmentId( mapsArr[1]); toBePushed["uglymol"] = '../viewer/uglymol/index.html?pdb=' + pdbUrl + '&map1=' + mapUrl1 + '&map2=' + mapUrl2; } - } + } + toBePushed["downloadFilesUrl"] = node.downloadFilesUrl; node["metrics"].push(toBePushed); } } @@ -263,7 +265,8 @@ UncollapsedDataCollectionGrid.prototype.displayPhasingTab = function(target, dat } } - var html = ""; + var html = ""; + dust.render("phasing.mxdatacollectiongrid.template", parsed, function(err, out) { html = html + out; }); @@ -288,13 +291,12 @@ UncollapsedDataCollectionGrid.prototype.displaySampleTab = function(target, data var dc =_.find(grid.dataCollectionGroup, {"DataCollection_dataCollectionId":Number(dataCollectionId)}); if (dc){ if ($("#sample_puck_layout_" +dataCollectionId)){ - if (dc.Container_containerId){ - var container =_.filter(grid.dataCollectionGroup, {"Container_containerId":Number(dc.Container_containerId)}); - if(container){ + var containers =_.filter(grid.dataCollectionGroup, {"Container_containerId":Number(dc.Container_containerId)}); + if(containers){ var dataCollectionIds = {}; - for (var i = 1 ; i <= container[0].Container_capacity ; i++) { - var sampleByLocation = _.filter(container,{"BLSample_location":i.toString()}); + for (var i = 1 ; i <= containers[0].Container_capacity ; i++) { + var sampleByLocation = _.filter(containers,{"BLSample_location":i.toString()}); if (sampleByLocation.length > 0) { var ids = []; for (sample in sampleByLocation){ @@ -310,17 +312,27 @@ UncollapsedDataCollectionGrid.prototype.displaySampleTab = function(target, data enableClick : false, dataCollectionIds : dataCollectionIds }; - - var puck = new UniPuckWidget(attributesContainerWidget); - - if (dc.Container_capacity == 10){ - puck = new SpinePuckWidget(attributesContainerWidget); - } - - $("#sample_puck_layout_" + dataCollectionId).html(puck.getPanel()); + + var puckLegend = new PuckLegend(); + + $("#sample_puck_legend_" + dataCollectionId).html(puckLegend.getPanel().html); var onSuccess = function(sender, samples){ if (samples){ + var puck = new UniPuckWidget(attributesContainerWidget); + if (dc.Container_capacity == 10){ + puck = new SpinePuckWidget(attributesContainerWidget); + } + var locations = _.map(samples,"BLSample_location").map(function (i) {return parseInt(i)}); + var maxLocation = _.max(locations); + if (maxLocation) { + if (maxLocation > 10) { + puck = new UniPuckWidget(attributesContainerWidget); + } else { + puck = new SpinePuckWidget(attributesContainerWidget); + } + } + $("#sample_puck_layout_" + dataCollectionId).html(puck.getPanel().html); puck.loadSamples(samples,dc.BLSample_location); } }; @@ -341,7 +353,6 @@ UncollapsedDataCollectionGrid.prototype.attachCallBackAfterRender = function() { var _this = this; var nodeWithScroll = document.getElementById(document.getElementById(_this.id).parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.id); - var lazy = { bind: 'event', /** !!IMPORTANT this is the parent node which contains the scroll **/ diff --git a/js/mx/view/prepareexperiment/containerspreparepreadsheet.js b/js/mx/view/prepareexperiment/containerspreparepreadsheet.js index 7d8a70ee1..7ee2e7b35 100644 --- a/js/mx/view/prepareexperiment/containerspreparepreadsheet.js +++ b/js/mx/view/prepareexperiment/containerspreparepreadsheet.js @@ -19,6 +19,8 @@ function ContainerPrepareSpreadSheet(args){ this.onSelectRow = new Event(this); this.onLoaded = new Event(this); + this.onBeamlineChanged = new Event(this); + this.onUnloadAllButtonClicked = new Event(this); }; /** @@ -32,12 +34,31 @@ ContainerPrepareSpreadSheet.prototype.getPanel = function() { this.store = Ext.create('Ext.data.Store', { storeId:'spreadSheedStore', - fields:['shippingName', 'barCode', 'containerCode', 'containerType', 'sampleCount', 'beamlineName','sampleChangerLocation','dewarId','containerId','capacity'], + fields:['shippingName', 'shippingId', 'barCode', 'containerCode', 'containerType', 'sampleCount', 'beamlineName','beamlineCombo','sampleChangerLocation','dewarId','containerId','capacity'], data: [] }); this.panel = Ext.create('Ext.grid.Panel', { title: 'Loaded or to be Loaded on MxCube', + buttons: [ + { + xtype: 'button', + text: '
Unload all
', + width: 200, + color: '#FFFFFF', + scale: 'large', + style: { + background: '#444444', + }, + handler : function(){ + var onSuccess = function (sender,c) { + _this.onUnloadAllButtonClicked.notify(); + _this.loadProcessingDewars(_this.sampleChangerWidget); + } + EXI.getDataAdapter({onSuccess:onSuccess}).proposal.dewar.emptySampleLocation(_.map(_this.dewars,"containerId")); + } + } + ], store: this.store, cls : 'border-grid', height : this.height, @@ -68,7 +89,15 @@ ContainerPrepareSpreadSheet.prototype.getPanel = function() { flex: 1, hidden : true, readOnly: true - }, + }, + { + header: 'ShippingId', + dataIndex: 'shippingId', + type: 'text', + flex: 1, + hidden : true, + readOnly: true + }, { header: 'ContainerId', dataIndex: 'containerId', @@ -122,18 +151,43 @@ ContainerPrepareSpreadSheet.prototype.getPanel = function() { hidden :true, readOnly: true }, - { - header : 'Selected Beamline', + { + header : 'Beamline', dataIndex: 'beamlineName', + hidden : true, type: 'dropdown', flex: 1, source: EXI.credentialManager.getBeamlineNames() + }, + { + header: 'Beamline', + dataIndex: 'beamlineCombo', + type: 'text', + flex: 1, + readOnly: true, + renderer : function(value, metaData, record, rowIndex){ + var beamlines = _.map(EXI.credentialManager.getBeamlinesByTechnique("MX"),"name"); + beamlines = _.union(beamlines,[record.data.beamlineName]) + var templateData = { + beamlines : beamlines, + selected : record.data.beamlineName, + containerId : record.data.containerId, + id : _this.id + } + var html = ""; + dust.render("beamlines.combobox.template", templateData, function(err, out){ + html = out; + }); + return html; + } + }, { header: 'Sample Changer Location', dataIndex: 'sampleChangerLocation', flex: 1, - type: 'text' + type: 'text', + tdCls: 'scl-cell' } ], viewConfig: { @@ -143,27 +197,29 @@ ContainerPrepareSpreadSheet.prototype.getPanel = function() { } for (var i = 0 ; i < _this.dewars.length ; i++){ var dewar = _this.dewars[i]; - if (record.get('dewarId') != dewar.dewarId && dewar.sampleCount > 0) { + if (record.get('containerId') != dewar.containerId && dewar.beamlineLocation == record.get('beamlineName')) { if (record.get('sampleChangerLocation') == dewar.sampleChangerLocation){ return "puck-error"; } } } - if (_this.sampleChangerWidget){ - if (record.get('sampleChangerLocation') > _this.sampleChangerWidget.sampleChangerCapacity) { - return "warning-row"; - } - var puckToBeFilled = _this.sampleChangerWidget.findPuckById(_this.sampleChangerWidget.convertSampleChangerLocationToId(record.get('sampleChangerLocation'))); - if (puckToBeFilled.capacity != record.get('capacity')){ - return "warning-row"; - } - } + // if (_this.sampleChangerWidget){ + // if (record.get('sampleChangerLocation') > _this.sampleChangerWidget.sampleChangerCapacity) { + // return "warning-row"; + // } + // var puckToBeFilled = _this.sampleChangerWidget.findPuckById(_this.sampleChangerWidget.convertSampleChangerLocationToId(record.get('sampleChangerLocation'))); + // if (puckToBeFilled.capacity != record.get('capacity')){ + // return "warning-row"; + // } + // } return ""; } }, listeners: { itemclick: function(grid, record, item, index, e) { - _this.onSelectRow.notify(record); + if (e.target.tagName != "SELECT"){ + _this.onSelectRow.notify({record : record, item : item}); + } } @@ -179,21 +235,6 @@ ContainerPrepareSpreadSheet.prototype.getPanel = function() { ] }); - //arrowUp and arrowDown listeners. - //Needs the first column of row Index - // this.panel.view.addElListener('keyup', function(event,row) { - // if (event.keyCode == 38 || event.keyCode == 40) { - // _this.onSelectRow.notify(_this.panel.store.getAt(Number(row.cells[0].innerText)-1)); - // } - // }); - - // this.panel.on('boxready', function() { - // for (var i = 0 ; i < _this.warningRows.length ; i++) { - // var containerId = _this.warningRows[i]; - // _this.addClassToRow (containerId, "warning-row"); - // } - // }); - return this.panel; }; @@ -228,51 +269,53 @@ ContainerPrepareSpreadSheet.prototype.loadProcessingDewars = function (sampleCha * @return */ ContainerPrepareSpreadSheet.prototype.load = function(dewars, sampleChangerWidget) { + var _this = this; this.dewars = dewars; if (sampleChangerWidget){ this.sampleChangerWidget = sampleChangerWidget; } var data = []; - var preSelectedBeamline = null; - if (typeof(Storage) != "undefined"){ - var preSelectedBeamline = sessionStorage.getItem("selectedBeamline"); - } - // var emptyDewars = false; + var error = false; //Parse data - for (dewar in dewars) { - // if (dewars[dewar].sampleCount > 0){ - var beamlineName = dewars[dewar].beamlineName; - if (preSelectedBeamline) { - beamlineName = preSelectedBeamline; - } - var containerType = "Unipuck"; - if (dewars[dewar].capacity){ - if (dewars[dewar].capacity == 10) { - containerType = "Spinepuck"; + for (var i = 0 ; i < dewars.length ; i++) { + var dewar = dewars[i]; + if (dewar.containerId){ + var containerType = "Unipuck"; + if (dewar.capacity){ + if (dewar.capacity == 10) { + containerType = "Spinepuck"; + } } + data.push({ + shippingName : dewar.shippingName, + shippingId : dewar.shippingId, + barCode : dewar.barCode, + containerCode : dewar.containerCode, + containerType : containerType, + sampleCount : dewar.sampleCount, + beamlineName : dewar.beamlineLocation, + sampleChangerLocation : dewar.sampleChangerLocation, + dewarId : dewar.dewarId, + containerId : dewar.containerId, + capacity : dewar.capacity + }); + } else { + error = true; } - data.push({ - shippingName : dewars[dewar].shippingName, - barCode : dewars[dewar].barCode, - containerCode : dewars[dewar].containerCode, - containerType : containerType, - sampleCount : dewars[dewar].sampleCount, - beamlineName : beamlineName, - sampleChangerLocation : dewars[dewar].sampleChangerLocation, - dewarId : dewars[dewar].dewarId, - containerId : dewars[dewar].containerId, - capacity : dewars[dewar].capacity - }); - // } else { - // emptyDewars = true; - // } } - // if (emptyDewars){ - // $.notify("Warning: Some of the dewars have no samples on them.", "warn"); - // } + if (error){ + $.notify("Error: error loading the dewars", "error"); + } this.store.loadData(data); + //Define listener for beamline combobox + $('.beamlines-select').change(function(sender) { + var beamline = $("#" + _this.id + "-" + sender.target.value + " option:selected").text(); + var containerId = sender.target.value; + _this.updateBeamlineName(containerId,beamline); + _this.onBeamlineChanged.notify(beamline); + }); }; /** @@ -285,32 +328,48 @@ ContainerPrepareSpreadSheet.prototype.load = function(dewars, sampleChangerWidge */ ContainerPrepareSpreadSheet.prototype.updateSampleChangerLocation = function (containerId, location) { var _this = this; - var recordsByContainerId = _.filter(_this.panel.store.data.items,function(o) {return o.data.containerId == containerId}); + var recordsByContainerId = this.getRowsByContainerId(containerId); for (var i = 0 ; i < recordsByContainerId.length ; i++) { var record = recordsByContainerId[i]; if (record.get('containerId') == containerId) { var beamlineName = record.get('beamlineName'); + if (beamlineName) { + var onSuccess = function(sender, containers) { + _this.loadProcessingDewars(); + }; + var onError = function(sender, error) { + EXI.setError("Ops, there was an error"); + }; - var onSuccess = function(sender, containers) { - _this.loadProcessingDewars(); - }; - var onError = function(sender, error) { - EXI.setError("Ops, there was an error"); - }; - - EXI.getDataAdapter({onSuccess : onSuccess, onError:onError}).proposal.dewar.updateSampleLocation([containerId], [beamlineName], [location]); + EXI.getDataAdapter({onSuccess : onSuccess, onError:onError}).proposal.dewar.updateSampleLocation([containerId], [beamlineName], [location]); + } else { + $.notify("The beamline is not defined", "error"); + } return } } }; +ContainerPrepareSpreadSheet.prototype.updateBeamlineName = function (containerId, beamline) { + var _this = this; + + var onSuccess = function(sender, containers) { + _this.loadProcessingDewars(); + }; + var onError = function(sender, error) { + EXI.setError("Ops, there was an error"); + }; + + EXI.getDataAdapter({onSuccess : onSuccess, onError:onError}).proposal.dewar.updateSampleLocation([containerId], [beamline], [""]); +}; + /** * Returns the row with the given containerId * -* @method getRowByContainerId +* @method getRowsByContainerId * @param {Integer} containerId The container Id of the record to be returned -* @return The row with the given containerId +* @return The rows with the given containerId */ ContainerPrepareSpreadSheet.prototype.getRowsByContainerId = function (containerId) { var recordsByContainerId = _.filter(this.panel.store.data.items,function(o) {return o.data.containerId == containerId}); diff --git a/js/mx/view/prepareexperiment/dewarlistselector.js b/js/mx/view/prepareexperiment/dewarlistselector.js index eef5f6e93..df4bfefc3 100644 --- a/js/mx/view/prepareexperiment/dewarlistselector.js +++ b/js/mx/view/prepareexperiment/dewarlistselector.js @@ -38,29 +38,27 @@ DewarListSelectorGrid.prototype.load = function(dewars){ var filtered = _.keyBy(dewars, "shippingId"); var data = []; _(filtered).forEach(function(value) { - if (_this.filterByDate){ - if (value.shippingStatus){ - if (value.shippingStatus.toUpperCase() == "PROCESSING"){ - data.push(value); - return; - } - } - /** Filtering only future sessions */ - if (value.sessionStartDate){ - if (moment().diff(moment(value.sessionStartDate, "'MMMM Do YYYY, h:mm:ss a'")) <= 0){ - data.push(value); + if ((value.sessionId) ||(value.shippingStatus.toUpperCase() == "PROCESSING")){ + if (_this.filterByDate){ + if (value.shippingStatus){ + if (value.shippingStatus.toUpperCase() == "PROCESSING"){ + data.push(value); + return; + } + } + + /** Filtering only future sessions */ + if (value.sessionStartDate){ + if (moment().diff(moment(value.sessionStartDate, "'MMMM Do YYYY, h:mm:ss a'")) <= 0){ + data.push(value); + } } } else{ - /** No session or not parseable */ - data.push(value); + data.push(value); } } - else{ - data.push(value); - } - }); this.panel.setTitle(data.length + " shipments candidates for " + EXI.proposalManager.getProposals()[0].code + EXI.proposalManager.getProposals()[0].number); @@ -101,6 +99,21 @@ DewarListSelectorGrid.prototype.getSelectedData = function() { DewarListSelectorGrid.prototype.getStore = function(){ this.store = Ext.create('Ext.data.Store', { fields:['beamlineLocation', 'storageLocation','containerStatus','containerType','sessionStartDate','creationDate','beamLineOperator','shippingStatus','shippingName', 'barCode', 'beamlineName', 'dewarCode', 'dewarStatus', 'sampleChangerLocation', 'sampleCount', 'sessionStartDate', 'type'] + /*sortInfo: { field: "sessionStartDate", direction: "DESC" }, + sorters: + { + field: 'sessionStartDate', + direction: 'ASC', + sorterFn: function(o1, o2) { + var d1 = new Date(o1.data.sessionStartDate) + var d2 = new Date(o2.data.sessionStartDate) + if (d1 === d2) { + return 0; + } else { + return (d1 < d2) ? 1 : -1; + } + } + }*/ }); return this.store; }; @@ -111,7 +124,7 @@ DewarListSelectorGrid.prototype.getPanel = function(){ items: [ { xtype : 'checkboxfield', - boxLabel : 'Display only shipments scheduled for future sessions', + boxLabel : 'Display only shipments scheduled for future sessions or in PROCESSING status', checked : this.filterByDate, listeners : { change : function( cb, newValue, oldValue, eOpts ){ @@ -127,7 +140,7 @@ DewarListSelectorGrid.prototype.getPanel = function(){ this.panel = Ext.create('Ext.grid.Panel', { title: 'Select dewars', store: this.getStore(), - // cls : 'border-grid', + sortableColumns : false, height : this.height, width : this.width, flex : 0.5, @@ -138,7 +151,13 @@ DewarListSelectorGrid.prototype.getPanel = function(){ text : 'Shipment', columns : [ { text: 'Name', dataIndex: 'shippingName', flex : 1 }, - { text: 'Status', dataIndex: 'shippingStatus', flex: 1 }, + { text: 'Status', dataIndex: 'shippingStatus', flex: 1, + renderer : function(grid, a, record){ + return record.data.shippingStatus.toUpperCase() + + + } + }, { text: 'Created on', dataIndex: 'creationDate', flex: 1, hidden : true, renderer : function(grid, a, record){ if (record.data.creationDate){ diff --git a/js/mx/view/prepareexperiment/loadsamplechangerview.js b/js/mx/view/prepareexperiment/loadsamplechangerview.js index a6b086f3c..691fd2040 100644 --- a/js/mx/view/prepareexperiment/loadsamplechangerview.js +++ b/js/mx/view/prepareexperiment/loadsamplechangerview.js @@ -6,6 +6,8 @@ function LoadSampleChangerView (args) { var _this = this; + this.id = BUI.id(); + this.showTip = true; this.height = 600; this.width = 600; this.widgetRadius = 185; @@ -18,19 +20,22 @@ function LoadSampleChangerView (args) { } }; - this.sampleChangerWidget = new FlexHCDWidget({}); - - this.warningRows = []; + var data = { + radius : this.widgetRadius, + isLoading : false + }; + this.sampleChangerWidget = new FlexHCDWidget(data); + + this.selectedRowItem = null; this.selectedContainerId = null; this.selectedContainerCapacity = null; this.selectedPuck = null; this.sampleChangerName = null; - this.containerListEditor = new ContainerPrepareSpreadSheet({height : 480,width : 600}); + this.containerListEditor = new ContainerPrepareSpreadSheet({height : 507,width : 600}); this.previewPanelView = new PreviewPanelView({ height : 100 }); - this.sampleChangerName = ""; if (typeof(Storage) != "undefined"){ var sampleChangerName = sessionStorage.getItem("sampleChangerName"); @@ -39,16 +44,22 @@ function LoadSampleChangerView (args) { } } - this.containerListEditor.onSelectRow.attach(function(sender, row){ + this.containerListEditor.onSelectRow.attach(function(sender, data){ + var row = data.record; if (row) { + if (_this.showTip){ + $.notify("Click on a sample changer location to place the dewar","info"); + _this.sampleChangerWidget.blink(); + _this.showTip = false; + } + // Check if the sampleChanger needs to be changed + if (row.data.beamlineName != _this.sampleChangerWidget.beamlineName) { + _this.changeSampleChangerWidgetByBeamline(row.data.beamlineName); + } + // Manage the selection/deselection of rows and cells if (_this.selectedPuck){ _this.deselectPuck(); } - else{ - $.notify("Click on a sample changer location to place the dewar", "info"); - _this.sampleChangerWidget.blink(); - - } if (_this.selectedContainerId) { if (_this.selectedContainerId == row.get('containerId')){ _this.deselectRow(); @@ -63,12 +74,20 @@ function LoadSampleChangerView (args) { } }); + this.containerListEditor.onBeamlineChanged.attach(function(sender,beamline) { + _this.changeSampleChangerWidgetByBeamline(beamline); + }); + this.containerListEditor.onLoaded.attach(function(sender, containers){ // $('.notifyjs-corner').empty(); _this.load(containers); }); - this.previewPanelView.onEmptyButtonClicked.attach(function(sender){ + this.containerListEditor.onUnloadAllButtonClicked.attach(function(sender){ + _this.returnToSelectionStatus(); + }); + + this.previewPanelView.onUnloadButtonClicked.attach(function(sender){ if (_this.selectedPuck){ _this.selectedPuck.emptyAll(); _this.previewPuck(_this.selectedPuck.containerId, _this.selectedPuck.capacity, { @@ -85,7 +104,11 @@ function LoadSampleChangerView (args) { LoadSampleChangerView.prototype.setSelectedRow = function (row) { this.containerListEditor.panel.getSelectionModel().select(row); - this.selectedContainerId = row.get('containerId'); + this.selectedRowItem = $('.x-grid-item-selected')[0]; + this.selectedContainerId = -1; + if (row.get('containerId')){ + this.selectedContainerId = row.get('containerId'); + } this.selectedContainerCapacity = row.get('capacity'); this.sampleChangerWidget.disablePucksOfDifferentCapacity(this.selectedContainerCapacity); @@ -96,7 +119,10 @@ LoadSampleChangerView.prototype.setSelectedRow = function (row) { this.setSelectedPuck(puck); } } - + var text = "Click on a sample changer
location to place the dewar
"; + if (row.get('sampleChangerLocation') != null && row.get('sampleChangerLocation') !="") { + text = "Unload #" + row.get('sampleChangerLocation'); + } this.previewPuck(row.get('containerId'), row.get('capacity'), { info : [{ @@ -106,11 +132,16 @@ LoadSampleChangerView.prototype.setSelectedRow = function (row) { text : 'SC Location', value : row.get('sampleChangerLocation') }] - }, "EMPTY"); + }, text); if (this.selectedPuck) { this.sampleChangerWidget.enablePuck(this.selectedPuck); } + + $("#" + this.selectedRowItem.id).addClass("selected-row"); + + $("#" + this.containerListEditor.id + "-" + this.selectedContainerId).prop('disabled', false); + $("#" + this.containerListEditor.id + "-" + this.selectedContainerId).css('pointer-events','auto'); }; /** @@ -145,10 +176,18 @@ LoadSampleChangerView.prototype.setSelectedPuck = function (puck) { * @return */ LoadSampleChangerView.prototype.deselectRow = function () { + //disable beamline combobox + $("#" + this.containerListEditor.id + "-" + this.selectedContainerId).prop('disabled', 'disabled'); + $("#" + this.containerListEditor.id + "-" + this.selectedContainerId).css('pointer-events','none'); + //deselect row and reinitialize values this.containerListEditor.panel.getSelectionModel().deselectAll(); this.selectedContainerId = null; this.selectedSampleCount = null; this.sampleChangerWidget.enableAllPucks(); + if(this.selectedRowItem){ + $("#" + this.selectedRowItem.id).removeClass("selected-row"); + } + this.selectedRowItem = null; } /** @@ -173,7 +212,9 @@ LoadSampleChangerView.prototype.returnToSelectionStatus = function () { if (this.selectedPuck) { this.deselectPuck(); } - this.cleanPreviewPanel(); + if (this.previewPanelView){ + this.cleanPreviewPanel(); + } }; /** @@ -197,15 +238,17 @@ LoadSampleChangerView.prototype.loadSampleChangerPuck = function (puck, containe /** * Generates a sampleChangerWidget given its name. It also checks for puck data on the sessionStorage * -* @method getSampleChangerWidget +* @method createSampleChangerWidget * @param {String} sampleChangerName The name of the sampleChangerWidget to be generated +* @param {String} beamlineName The name of the beamline * @return A sampleChangerWidget */ -LoadSampleChangerView.prototype.getSampleChangerWidget = function (sampleChangerName) { +LoadSampleChangerView.prototype.createSampleChangerWidget = function (sampleChangerName, beamlineName) { var _this = this; var data = { radius : this.widgetRadius, - isLoading : false + isLoading : false, + beamlineName : beamlineName }; this.sampleChangerWidget = new FlexHCDWidget(data); if (sampleChangerName == "SC3") { @@ -217,6 +260,22 @@ LoadSampleChangerView.prototype.getSampleChangerWidget = function (sampleChanger return this.sampleChangerWidget; }; +LoadSampleChangerView.prototype.changeSampleChangerWidgetByBeamline = function (beamlineName) { + var newBeamline = _.filter(EXI.credentialManager.getBeamlinesByTechnique("MX"),{"name":beamlineName}); + if (newBeamline.length > 0) { + this.createSampleChangerWidget(newBeamline[0].sampleChangerType,newBeamline[0].name); + } else { + this.createSampleChangerWidget("FlexHCD",beamlineName); + } + this.widgetContainer.removeAll(); + this.load(this.containers); + this.widgetContainer.insert(this.sampleChangerWidget.getPanel()); + this.reloadSampleChangerWidget(); + this.sampleChangerWidget.blink(); + this.returnToSelectionStatus(); +} + + /** * Loads the sampleChangerWidget * @@ -225,40 +284,32 @@ LoadSampleChangerView.prototype.getSampleChangerWidget = function (sampleChanger */ LoadSampleChangerView.prototype.load = function (containers) { var _this = this; - + this.sampleChangerWidget.emptyAllPucks(); - this.warningRows = []; var filledContainers = {}; if (containers) { + this.containers = containers; for (var i = 0 ; i < containers.length ; i++){ var container = containers[i]; - - var sampleChangerLocation = container.sampleChangerLocation; - if (sampleChangerLocation != "" && sampleChangerLocation != null){ - var puckId = this.sampleChangerWidget.convertSampleChangerLocationToId(Number(sampleChangerLocation)); - if (puckId) { - var puck = this.sampleChangerWidget.findPuckById(puckId); - if (puck.capacity != container.capacity){ - this.warningRows.push(container.containerId); + if (container.beamlineLocation == this.sampleChangerWidget.beamlineName){ + var sampleChangerLocation = container.sampleChangerLocation; + if (sampleChangerLocation != "" && sampleChangerLocation != null){ + var puckId = this.sampleChangerWidget.convertSampleChangerLocationToId(Number(sampleChangerLocation)); + if (puckId) { + var puck = this.sampleChangerWidget.findPuckById(puckId); + if (puck.capacity != container.capacity){ + } + if (container.sampleCount == 0) { + puck.containerId = container.containerId; + puck.isEmpty = false; + } else { + filledContainers[container.containerId] = puckId; + } } - if (container.sampleCount == 0) { - puck.containerId = container.containerId; - puck.isEmpty = false; - } else { - filledContainers[container.containerId] = puckId; - } - } else { - this.warningRows.push(container.containerId); } - - } else { - this.warningRows.push(container.containerId); } - } - - if (!_.isEmpty(filledContainers)){ var onSuccess = function (sender, samples) { var errorPucks = _this.sampleChangerWidget.loadSamples(samples,filledContainers); @@ -283,8 +334,6 @@ LoadSampleChangerView.prototype.load = function (containers) { LoadSampleChangerView.prototype.getPanel = function () { var _this = this; - this.sampleChangerWidget = this.getSampleChangerWidget(this.sampleChangerName); - this.widgetContainer = Ext.create('Ext.panel.Panel', { width : 400, height : 2*this.widgetRadius, @@ -298,13 +347,19 @@ LoadSampleChangerView.prototype.getPanel = function () { this.verticalPanel = Ext.create('Ext.panel.Panel', { // layout : 'hbox', - items : [ + layout: { + type: 'vbox', + align: 'center', + pack: 'center' + }, + items : [{html : "
"}, this.widgetContainer ] }); this.panel = Ext.create('Ext.panel.Panel', { // title : 'Load the sample changer', + autoScroll : true, layout : 'hbox', height : this.height, width : this.width, @@ -316,37 +371,54 @@ LoadSampleChangerView.prototype.getPanel = function () { }); this.panel.on('boxready', function() { - _this.sampleChangerWidget.setClickListeners(); - _this.sampleChangerWidget.onPuckSelected.attach(function(sender, puck){ - if (_this.selectedContainerId) { - if (_this.selectedPuck) { - if (_this.selectedPuck == puck) { + _this.reloadSampleChangerWidget(); + $("#" + _this.id + "-unloadSC-button").unbind('click').click(function(sender){ + var containerIds = _.map(_.map(_this.sampleChangerWidget.getAllFilledPucks(),"puckWidget"),"containerId"); + if (containerIds.length > 0){ + var onSuccess = function (sender,c) { _this.returnToSelectionStatus(); - } else { - _this.loadSampleChangerPuck(puck, _this.selectedContainerId); + _this.load(); } + EXI.getDataAdapter({onSuccess:onSuccess}).proposal.dewar.emptySampleLocation(containerIds); + } + }); + }); + + return this.panel; +}; + +LoadSampleChangerView.prototype.reloadSampleChangerWidget = function () { + var _this = this; + this.sampleChangerWidget.setClickListeners(); + this.sampleChangerWidget.onPuckSelected.attach(function(sender, puck){ + if (_this.selectedContainerId) { + if (_this.selectedPuck) { + if (_this.selectedPuck == puck) { + _this.returnToSelectionStatus(); } else { _this.loadSampleChangerPuck(puck, _this.selectedContainerId); } } else { - if (_this.selectedPuck) { - if (_this.selectedPuck == puck) { - _this.returnToSelectionStatus(); - } else { - _this.deselectRow(); - _this.deselectPuck(); - _this.setSelectedPuck(puck); - } + _this.loadSampleChangerPuck(puck, _this.selectedContainerId); + } + } else { + if (_this.selectedPuck) { + if (_this.selectedPuck == puck) { + _this.returnToSelectionStatus(); } else { + _this.deselectRow(); + _this.deselectPuck(); _this.setSelectedPuck(puck); } + } else { + _this.setSelectedPuck(puck); } - }); - _this.sampleChangerWidget.render(); + } }); - - return this.panel; -}; + this.sampleChangerWidget.render(); + $("#" + this.id + "-scw-label").html(this.sampleChangerWidget.beamlineName + " (" + this.sampleChangerWidget.name + ")"); + this.panel.doLayout(); +} /** * Cleans and removes the previewPanelView @@ -356,8 +428,10 @@ LoadSampleChangerView.prototype.getPanel = function () { */ LoadSampleChangerView.prototype.cleanPreviewPanel = function () { this.previewPanelView.clean(); - if(this.previewPanelView.panel.body){ - this.verticalPanel.remove(this.previewPanelView.panel); + if (this.previewPanelView.panel){ + if(this.previewPanelView.panel.body){ + this.verticalPanel.remove(this.previewPanelView.panel); + } } }; diff --git a/js/mx/view/prepareexperiment/preparemainview.js b/js/mx/view/prepareexperiment/preparemainview.js index 08cca3560..8601e2266 100644 --- a/js/mx/view/prepareexperiment/preparemainview.js +++ b/js/mx/view/prepareexperiment/preparemainview.js @@ -19,13 +19,12 @@ function PrepareMainView(args) { } } - this.steps = ["","/selectSampleChanger","/loadSampleChanger"]; + this.steps = ["","/loadSampleChanger"]; this.height = 550; this.width = 1300; this.dewarListSelector = new DewarListSelectorGrid({height : this.height - 12, width : this.width - 60}); - this.sampleChangerSelector = new SampleChangerSelector({height : this.height - 12, width : this.width - 0}); this.loadSampleChangerView = new LoadSampleChangerView({height : this.height - 12, width : this.width - 0}); this.confirmShipmentView = new ConfirmShipmentView(); @@ -49,25 +48,6 @@ function PrepareMainView(args) { this.selectedPuck = null; this.sampleChangerName = null; - this.sampleChangerSelector.onRowSelected.attach(function(sender,beamline){ - if (beamline) { - _this.save("selectedBeamline", beamline); - } else { - _this.removeFromStorage("selectedBeamline"); - } - }); - - this.sampleChangerSelector.onSampleChangerSelected.attach(function(sender,changerName){ - Ext.getCmp("next-button").enable(); - $('#step-3').attr("disabled", false); - _this.sampleChangerName = changerName; - _this.save('sampleChangerName', changerName); - if (typeof(Storage) != "undefined") { - sessionStorage.removeItem('puckData'); - } - _this.loadSampleChangerView.sampleChangerName = changerName; - }); - }; @@ -105,18 +85,9 @@ PrepareMainView.prototype.manageButtons = function () { Ext.getCmp("next-button").enable(); } else { Ext.getCmp("previous-button").show(); - } - if (this.currentStep == 2) { - Ext.getCmp("next-button").disable(); - } - if (this.currentStep < 3) { - Ext.getCmp("next-button").show(); - $('#done-button').hide(); - } - if (this.currentStep == 3) { Ext.getCmp("next-button").hide(); } - for (var i = 1 ; i <= 3 ; i++){ + for (var i = 1 ; i <= 2 ; i++){ if (i == this.currentStep) { $('#step-' + i).addClass('active-step'); } else { @@ -137,25 +108,6 @@ PrepareMainView.prototype.changeStep = function (direction) { location.href = "#/mx/prepare/main" + this.steps[this.currentStep-1]; }; -/** -* Manages the disable state of the step buttons -* -* @method manageStepButtons -* @return -*/ -// PrepareMainView.prototype.manageStepButtons = function () { -// if (this.loadSampleChangerView.sampleChangerName == "") { -// $('#step-3').attr("disabled", true); -// } else { -// $('#step-3').attr("disabled", false); -// } -// for (var i = 1 ; i <= 4 ; i++){ -// if (i == this.currentStep){ -// $('#step-' + i).addClass('active-step'); -// } -// } -// }; - /** * Loads a Ext.panel.panel constaining a Ext.panel.Panel that will render the steps inside and sets the click events for the buttons * @@ -178,6 +130,7 @@ PrepareMainView.prototype.getPanel = function() { ); this.panel = Ext.create('Ext.panel.Panel', { + autoScroll : true, buttons : this.getButtons(), layout: { type: 'vbox', @@ -187,22 +140,11 @@ PrepareMainView.prototype.getPanel = function() { height : this.height + 200, // cls : 'border-grid', items : [ - this.getToolBar(), this.container, - // this.getButtons() + this.getToolBar(), this.container ] }); this.panel.on('boxready', function() { - // $('#next-button').unbind('click').click(function (sender){ - // if (_this.currentStep < 4) { - // _this.changeStep(1); - // } - // }); - // $('#previous-button').unbind('click').click(function (sender){ - // if (_this.currentStep > 0) { - // _this.changeStep(-1); - // } - // }); _this.manageButtons(); }); @@ -297,36 +239,30 @@ PrepareMainView.prototype.load = function() { }; EXI.getDataAdapter({onSuccess : onSuccessProposal, onError:onError}).proposal.dewar.getDewarsByProposal(); - } else if (this.currentStep == 2){ - this.container.add(this.sampleChangerSelector.getPanel()); - this.sampleChangerSelector.panel.setLoading(); - - var onSuccessProposal = function(sender, containers) { + } else if (this.currentStep == 2) { + var onSuccessProposal = function(sender, containers) { _this.containers = containers; - var beamlinesSelected = _.uniq(_.map(_.filter(_this.containers, function(e){return e.shippingStatus == "processing";}),'beamlineName')); - - if (beamlinesSelected.length > 1) { - $.notify("Warning: Multiple beamlines selected", "warn"); - } else if (beamlinesSelected.length == 1) { - if (EXI.credentialManager.getBeamlineNames().indexOf(beamlinesSelected[0]) >= 0){ - _this.sampleChangerSelector.selectRowByBeamlineName(beamlinesSelected[0]); + var beamlinesSelected = _.uniq(_.map(_.filter(_this.containers, function(e){return e.shippingStatus == "processing";}),'beamlineLocation')); + if (beamlinesSelected.length > 0) { + var beamline = _.filter(EXI.credentialManager.getBeamlinesByTechnique("MX"),{"name":beamlinesSelected[0]}); + if (beamline.length > 0) { + _this.loadSampleChangerView.createSampleChangerWidget(beamline[0].sampleChangerType,beamline[0].name); } else { - $.notify("Warning: Unknown beamline", "warn"); + $.notify("Warning: Unknown beamline " + beamlinesSelected[0], "warn"); + _this.loadSampleChangerView.createSampleChangerWidget("FlexHCD",beamlinesSelected[0]); + } + for (var i = 1 ; i < beamlinesSelected.length ; i++){ + var beamline = _.filter(EXI.credentialManager.getBeamlinesByTechnique("MX"),{"name":beamlinesSelected[i]}); + if (beamline.length == 0) { + $.notify("Warning: Unknown beamline " + beamlinesSelected[i], "warn"); + } } } - - _this.sampleChangerSelector.panel.setLoading(false); - }; - - var onError = function(sender, error) { - EXI.setError("Ops, there was an error"); - _this.sampleChangerSelector.panel.setLoading(false); + _this.container.add(_this.loadSampleChangerView.getPanel()); + _this.loadSampleChangerView.load(); }; - EXI.getDataAdapter({onSuccess : onSuccessProposal, onError:onError}).proposal.dewar.getDewarsByProposal(); - } else if (this.currentStep == 3) { - this.container.add(this.loadSampleChangerView.getPanel()); - this.loadSampleChangerView.load(); + EXI.getDataAdapter({onSuccess : onSuccessProposal}).proposal.dewar.getDewarsByProposal(); } }; diff --git a/js/mx/view/prepareexperiment/previewpanelview.js b/js/mx/view/prepareexperiment/previewpanelview.js index 59bebb4e9..c69033d28 100644 --- a/js/mx/view/prepareexperiment/previewpanelview.js +++ b/js/mx/view/prepareexperiment/previewpanelview.js @@ -25,7 +25,7 @@ function PreviewPanelView (args) { enableMouseOver : true }; - this.onEmptyButtonClicked = new Event(this); + this.onUnloadButtonClicked = new Event(this); }; /** @@ -55,14 +55,16 @@ PreviewPanelView.prototype.getPanel = function () { }, listeners: { click: function(button) { - if (button.text == "EMPTY") { - _this.onEmptyButtonClicked.notify(); + if (button.text != null){ + if (button.text.split(" ")[0] == "Unload") { + _this.onUnloadButtonClicked.notify(); + } } } } }); - var infoContainer = Ext.create('Ext.panel.Panel', { + this.infoContainer = Ext.create('Ext.panel.Panel', { layout : 'vbox', width : this.width/2, height : this.height, @@ -81,7 +83,7 @@ PreviewPanelView.prototype.getPanel = function () { layout : 'hbox', width : this.width, height : this.height, - items : [infoContainer, this.previewPanel ] + items : [this.infoContainer, this.previewPanel ] }); return this.panel; @@ -108,7 +110,6 @@ PreviewPanelView.prototype.load = function (containerId, capacity, data, instruc html : html, margin : 6 }); - this.instructionsButton.setText(instructionsButtonText); this.puckData.containerId = containerId; if (capacity == 10){ @@ -139,7 +140,9 @@ PreviewPanelView.prototype.load = function (containerId, capacity, data, instruc * @return */ PreviewPanelView.prototype.clean = function () { - this.previewPanel.removeAll(); - this.infoPanel.removeAll(); - this.instructionsButton.setText(""); + if (this.previewPanel){ + this.previewPanel.removeAll(); + this.infoPanel.removeAll(); + this.instructionsButton.setText(""); + } }; \ No newline at end of file diff --git a/js/mx/widget/curveplotter.js b/js/mx/widget/curveplotter.js index ccbd5401c..5b79b6906 100644 --- a/js/mx/widget/curveplotter.js +++ b/js/mx/widget/curveplotter.js @@ -3,7 +3,7 @@ function CurvePlotter(args) { this.backgroundColor = "#FFFFFF"; - this.margin = '0 0 0 5'; + this.margin = 10; this.ruleColor = "black"; this.targetId = "plotCanvas" + BUI.id(); this.legend = 'onmouseover'; @@ -18,6 +18,7 @@ function CurvePlotter(args) { if (args.targetId != null) { this.targetId = args.targetId; } + } this.onRendered = new Event(this); @@ -26,11 +27,8 @@ function CurvePlotter(args) { } CurvePlotter.prototype.getPanel = function() { - this.plotPanel = Ext.create('Ext.container.Container', { - layout: { - type: 'hbox' - }, - flex: 0.7, + this.plotPanel = Ext.create('Ext.container.Container', { + flex: 1, margin: this.margin, items: [{ html: '
', diff --git a/js/mx/widget/pucks/a_samplechangerwidget.js b/js/mx/widget/pucks/a_samplechangerwidget.js index 46fd6fc71..067d44d6b 100644 --- a/js/mx/widget/pucks/a_samplechangerwidget.js +++ b/js/mx/widget/pucks/a_samplechangerwidget.js @@ -14,6 +14,7 @@ function SampleChangerWidget (args) { this.name = ''; this.onPuckSelected = new Event(this); this.sampleChangerCapacity = 0; //This is set in each sample changer type + this.beamlineName = ""; this.data = {}; if (args) { @@ -23,16 +24,23 @@ function SampleChangerWidget (args) { if (args.isLoading != null){ this.isLoading = args.isLoading; } + if (args.beamlineName){ + this.beamlineName = args.beamlineName; + } } }; /** * It blinks the sample changer by fading IN and OUT * -* @method blink` +* @method blink */ SampleChangerWidget.prototype.blink = function () { - $('#' + this.id).fadeIn().fadeOut().fadeIn().fadeOut().fadeIn(); + $('#' + this.id).fadeIn().fadeOut().fadeIn(); + var allPucks = this.getAllPucks(); + for (var i = 0 ; i < allPucks.length ; i++) { + allPucks[i].blink(); + } } /** diff --git a/js/mx/widget/pucks/flexhcdwidget.js b/js/mx/widget/pucks/flexhcdwidget.js index 1266c93bc..ede84e8d1 100644 --- a/js/mx/widget/pucks/flexhcdwidget.js +++ b/js/mx/widget/pucks/flexhcdwidget.js @@ -20,8 +20,8 @@ function FlexHCDWidget (args) { }; this.createStructure(); - this.createPucks("Unipuck", this.data.cells/2, -7*Math.PI/8, this.data.radius/2, 0.5, {dAlpha : Math.PI/16, dist : 3*this.data.radius/4}); - this.createPucks("Spinepuck", this.data.cells/2, -5*Math.PI/8, this.data.radius/2, 0.5, {dAlpha : Math.PI/16, dist : 3*this.data.radius/4}); + this.createPucks("Spinepuck", this.data.cells/2, -7*Math.PI/8, this.data.radius/2, 0.5, {dAlpha : Math.PI/16, dist : 3*this.data.radius/4}); + this.createPucks("Unipuck", this.data.cells/2, -5*Math.PI/8, this.data.radius/2, 0.5, {dAlpha : Math.PI/16, dist : 3*this.data.radius/4}); }; diff --git a/js/mx/widget/pucks/pucklegend.js b/js/mx/widget/pucks/pucklegend.js new file mode 100644 index 000000000..e2e0c5e0f --- /dev/null +++ b/js/mx/widget/pucks/pucklegend.js @@ -0,0 +1,49 @@ +function PuckLegend(args){ + this.id = BUI.id(); + this.width = 200; + this.height = 10; + var cy = "30.5%"; + var tOffset = 8; + + if (args) { + if (args.width) { + this.width = args.width; + } + if (args.height) { + this.height = args.height; + } + if (args.cy) { + cy = args.cy; + } + if (args.tOffset) { + tOffset = args.tOffset; + } + } + var fontSize = "0.55vw"; + var rad = "7%"; + var circles = []; + circles.push({cx : "7%", cy : cy, r : rad, cls : "cell_empty", text : "EMPTY"}); + circles.push({cx : "27%", cy : cy, r : rad, cls : "cell_collected", text : "COLLECTED"}); + circles.push({cx : "47%", cy : cy, r : rad, cls : "cell_filled", text : "FILLED"}); + circles.push({cx : "67%", cy : cy, r : rad, cls : "cell_selected", text : "SELECTED"}); + + this.data = { + id : this.id, + circles : circles, + tOffset : tOffset, + fontSize : fontSize + }; +} + +PuckLegend.prototype.getPanel = function () { + var html = ""; + dust.render("puck.legend.template", this.data, function(err, out){ + html = out; + }); + + return { + html : html, + width : this.width, + height : this.height + }; +}; diff --git a/js/mx/widget/pucks/puckwidget.js b/js/mx/widget/pucks/puckwidget.js index 1ce6edf08..69e43029c 100644 --- a/js/mx/widget/pucks/puckwidget.js +++ b/js/mx/widget/pucks/puckwidget.js @@ -12,11 +12,12 @@ function PuckWidget(args){ this.containerId = 0; this.containerCode = ""; this.enableMouseOver = false; - this.enableClick = false; + this.enableClick = false; //click on cells + this.enableMainClick = false; //click on the puck + this.enableMainMouseOver = false; //mouse over on the puck this.initSelected = {}; this.isLoading = true; this.capacity = 10; - this.isUnipuck = false; this.isEmpty = true; @@ -42,6 +43,12 @@ function PuckWidget(args){ if (args.enableClick != null){ this.enableClick = args.enableClick; } + if (args.enableMainClick != null){ + this.enableMainClick = args.enableMainClick; + } + if (args.enableMainMouseOver != null){ + this.enableMainMouseOver = args.enableMainMouseOver; + } if (args.initSelected){ this.initSelected = args.initSelected; } @@ -63,6 +70,7 @@ function PuckWidget(args){ containerId : this.containerId, containerCode : this.containerCode, enableClick : this.enableClick, + enableMainClick : this.enableMainClick, enableMouseOver : this.enableMouseOver, dataCollectionIds : this.dataCollectionIds, isLoading : this.isLoading @@ -110,7 +118,11 @@ PuckWidget.prototype.getPanel = function () { html = out; }); - return html; + return { + html : html, + width : 2*this.data.mainRadius + 1, + height : 2*this.data.mainRadius + 1 + }; }; /** @@ -141,7 +153,7 @@ PuckWidget.prototype.loadSamples = function (samples, selectedLocation) { var sample = samples[i]; var dataCollectionIds = this.dataCollectionIds[sample.BLSample_location]; var state = "FILLED"; - if (dataCollectionIds != null && dataCollectionIds.length > 0){ + if ((dataCollectionIds != null && dataCollectionIds.length > 0 || sample.DataCollectionGroup_dataCollectionGroupId != null)){ state = "COLLECTED"; } var selected = false; @@ -215,24 +227,27 @@ PuckWidget.prototype.load = function (data) { var cellIndex = _this.findCellIndexById(sender.target.id); _this.onMouseOver.notify(sender.target.id.split("-")[1]); - _this.focus(sender.target.id.split("-")[1],true); + _this.focusWell(sender.target.id.split("-")[1],true); // TOOLTIP - if (_this.data.cells[cellIndex].sample_name){ - + if (_this.data.cells[cellIndex].protein_acronym){ + var tooltipData = [{key : "Protein acronym", value : _this.data.cells[cellIndex].protein_acronym}]; + if (_this.data.cells[cellIndex].sample_name) { + tooltipData.push({key : "Sample", value : _this.data.cells[cellIndex].sample_name}); + } var tooltipHtml = ""; - dust.render("plates.tooltip.mxdatacollectiongrid.template", _this.data.cells[cellIndex], function(err, out) { + dust.render("tooltip.template", tooltipData, function(err, out) { tooltipHtml = out; }); $('body').append(tooltipHtml); $('#hoveringTooltipDiv').css({ - "top" : $(this).offset().top - 3*_this.data.cells[i].radius, - "left" : $(this).offset().left + 1.5*_this.data.cells[i].radius + "top" : $(this).offset().top - 3*_this.data.cells[cellIndex].radius, + "left" : $(this).offset().left + 1.5*_this.data.cells[cellIndex].radius }); if (_this.data.cells[cellIndex].y - _this.data.mainRadius < 0) { $('#hoveringTooltipDiv').css({ - "top" : $(this).offset().top + 2*_this.data.cells[i].radius, - "left" : $(this).offset().left + _this.data.cells[i].radius + "top" : $(this).offset().top + 2*_this.data.cells[cellIndex].radius, + "left" : $(this).offset().left + _this.data.cells[cellIndex].radius }); } } @@ -241,7 +256,7 @@ PuckWidget.prototype.load = function (data) { $("#" + currentId).unbind('mouseout').mouseout(function(sender){ _this.onMouseOut.notify(); - _this.focus(sender.target.id.split("-")[1],false); + _this.focusWell(sender.target.id.split("-")[1],false); // TOOLTIP $('#hoveringTooltipDiv').remove(); @@ -264,13 +279,27 @@ PuckWidget.prototype.load = function (data) { }; /** -* Focus or unfocus one cell according to a boolean and its location +* focus or unfocus the puck * * @method focus +* @param {Boolean} bool Whether or not to focus the cell +*/ +PuckWidget.prototype.focus = function (bool) { + if (bool){ + $("#" + this.id).addClass("puck-selected"); + } else { + $("#" + this.id).removeClass("puck-selected"); + } +}; + +/** +* focus or unfocus one cell according to a boolean and its location +* +* @method focusWell * @param {Integer} location The location of the cell on the puck * @param {Boolean} bool Whether or not to focus the cell */ -PuckWidget.prototype.focus = function (location, bool) { +PuckWidget.prototype.focusWell = function (location, bool) { if (bool){ $("#" + this.id + "-" + location).attr("class", "cell_focus"); $("#" + this.id + "-" + location + "-inner").attr("class", "cell_inner_hidden"); @@ -359,4 +388,13 @@ PuckWidget.prototype.allowAllCells = function () { var cell = this.data.cells[i]; $("#" + cell.id).removeClass("cell-disabled"); } -}; \ No newline at end of file +}; + +/** +* It blinks the sample changer by fading IN and OUT +* +* @method blink` +*/ +PuckWidget.prototype.blink = function () { + $('#' + this.id + "-div").fadeIn().fadeOut().fadeIn(); +} \ No newline at end of file diff --git a/js/mx/widget/pucks/puckwidgetcontainer.js b/js/mx/widget/pucks/puckwidgetcontainer.js index 13e02a63c..401524f64 100644 --- a/js/mx/widget/pucks/puckwidgetcontainer.js +++ b/js/mx/widget/pucks/puckwidgetcontainer.js @@ -1,16 +1,20 @@ function PuckWidgetContainer(args) { var _this = this; + this.onClick = new Event(this); this.mouseOverCell = new Event(this); this.mouseOutCell = new Event(this); + this.onMouseOver = new Event(this); + this.onMouseOut = new Event(this); this.xMargin = 0; this.yMargin = 0; + this.containerId = 0; + this.enableMainClick = false; + this.enableMainMouseOver = false; + this.code = ""; if (args){ if (args.puckType) { - if (args.puckType == "UniPuck" || args.puckType == "SpinePuck") { - debugger - } switch (args.puckType) { case "Unipuck": this.puckWidget = new UniPuckWidget(args); @@ -22,14 +26,23 @@ function PuckWidgetContainer(args) { break; } } + if (args.code){ + this.code = args.code; + } + if (args.containerId){ + this.containerId = args.containerId; + } if (args.xMargin){ this.xMargin = args.xMargin; } if (args.yMargin){ this.yMargin = args.yMargin; } - if (args.x) { - debugger + if (args.enableMainClick != null){ + this.enableMainClick = args.enableMainClick; + } + if (args.enableMainMouseOver != null){ + this.enableMainMouseOver = args.enableMainMouseOver; } } @@ -37,9 +50,8 @@ function PuckWidgetContainer(args) { this.puckWidget = new SpinePuckWidget(args); } - this.puckWidget.onClick.attach(function(sender, cell){ - - + this.puckWidget.onClick.attach(function(sender, id){ + _this.onClick.notify(id); }); this.puckWidget.onMouseOver.attach(function(sender, location){ @@ -67,14 +79,27 @@ PuckWidgetContainer.prototype.getPanel = function () { bodyStyle: 'background:transparent;', items : [ - { - html : this.puckWidget.getPanel(), - width : 2*this.puckWidget.data.mainRadius + 1, - height : 2*this.puckWidget.data.mainRadius + 1 - } + this.puckWidget.getPanel() ], }); + + this.panel.on('boxready', function() { + if(_this.enableMainClick) { + $("#" + this.id).unbind('click').click(function(sender){ + _this.onClick.notify(sender.target.id); + }); + } + if(_this.enableMainMouseOver) { + $("#" + this.id).unbind('mouseover').mouseover(function(sender){ + _this.onMouseOver.notify(_this.puckWidget); + }); + + $("#" + this.id).unbind('mouseout').mouseout(function(sender){ + _this.onMouseOut.notify(_this.puckWidget); + }); + } + }); return this.panel; @@ -85,11 +110,23 @@ PuckWidgetContainer.prototype.load = function (data) { } PuckWidgetContainer.prototype.loadSamples = function (samples) { - this.puckWidget.loadSamples(samples); + if (samples){ + if (samples.length > 0){ + this.containerId = samples[0].Container_containerId; + this.puckWidget.loadSamples(samples); + } + } } PuckWidgetContainer.prototype.focus = function (location, bool) { this.puckWidget.focus(location, bool); } - +/** +* It blinks the sample changer by fading IN and OUT +* +* @method blink` +*/ +PuckWidgetContainer.prototype.blink = function () { + this.puckWidget.blink(); +} \ No newline at end of file diff --git a/js/mx/widget/pucks/spinepuckwidget.js b/js/mx/widget/pucks/spinepuckwidget.js index 993d7cf96..49f02ce87 100644 --- a/js/mx/widget/pucks/spinepuckwidget.js +++ b/js/mx/widget/pucks/spinepuckwidget.js @@ -19,12 +19,14 @@ SpinePuckWidget.prototype.getPanel = PuckWidget.prototype.getPanel; SpinePuckWidget.prototype.load = PuckWidget.prototype.load; SpinePuckWidget.prototype.addCirclePathCells = PuckWidget.prototype.addCirclePathCells; SpinePuckWidget.prototype.focus = PuckWidget.prototype.focus; +SpinePuckWidget.prototype.focusWell = PuckWidget.prototype.focusWell; SpinePuckWidget.prototype.render = PuckWidget.prototype.render; SpinePuckWidget.prototype.findCellIndexById = PuckWidget.prototype.findCellIndexById; SpinePuckWidget.prototype.loadSamples = PuckWidget.prototype.loadSamples; SpinePuckWidget.prototype.emptyAll = PuckWidget.prototype.emptyAll; SpinePuckWidget.prototype.disableAllCells = PuckWidget.prototype.disableAllCells; SpinePuckWidget.prototype.allowAllCells = PuckWidget.prototype.allowAllCells; +SpinePuckWidget.prototype.blink = PuckWidget.prototype.blink; /** * Parses the data diff --git a/js/mx/widget/pucks/unipuckwidget.js b/js/mx/widget/pucks/unipuckwidget.js index 35aceae8e..9e506fd96 100644 --- a/js/mx/widget/pucks/unipuckwidget.js +++ b/js/mx/widget/pucks/unipuckwidget.js @@ -19,12 +19,14 @@ UniPuckWidget.prototype.getPanel = PuckWidget.prototype.getPanel; UniPuckWidget.prototype.load = PuckWidget.prototype.load; UniPuckWidget.prototype.addCirclePathCells = PuckWidget.prototype.addCirclePathCells; UniPuckWidget.prototype.focus = PuckWidget.prototype.focus; +UniPuckWidget.prototype.focusWell = PuckWidget.prototype.focusWell; UniPuckWidget.prototype.render = PuckWidget.prototype.render; UniPuckWidget.prototype.findCellIndexById = PuckWidget.prototype.findCellIndexById; UniPuckWidget.prototype.loadSamples = PuckWidget.prototype.loadSamples; UniPuckWidget.prototype.emptyAll = PuckWidget.prototype.emptyAll; UniPuckWidget.prototype.disableAllCells = PuckWidget.prototype.disableAllCells; UniPuckWidget.prototype.allowAllCells = PuckWidget.prototype.allowAllCells; +UniPuckWidget.prototype.blink = PuckWidget.prototype.blink; /** * Parses the data diff --git a/js/saxs/controller/saxsexicontroller.js b/js/saxs/controller/saxsexicontroller.js index d229dfa29..9c0bebf51 100644 --- a/js/saxs/controller/saxsexicontroller.js +++ b/js/saxs/controller/saxsexicontroller.js @@ -108,6 +108,7 @@ SAXSExiController.prototype.routeExperiment = function() { mainView.panel.setLoading(false); }; EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByExperiment(this.params['experimentId']); + // EXI.getDataAdapter({onSuccess : onSuccess}).saxs.experiment.getExperimentById(this.params['experimentId']); }).enter(this.setPageBackground); @@ -235,6 +236,13 @@ SAXSExiController.prototype.routeDataCollection = function() { primaryMainView.load(this.params['dataCollectionId']); }).enter(this.setPageBackground); + + Path.map("#/saxs/datacollection/dataCollectionId/:dataCollectionId/abinitio").to(function() { + var primaryMainView = new AbinitioMainView(); + EXI.addMainPanel(primaryMainView); + primaryMainView.load(this.params['dataCollectionId']); + + }).enter(this.setPageBackground); Path.map("#/saxs/datacollection/:key/:value/merge").to(function() { var onSuccess = function(sender, data) { @@ -338,9 +346,9 @@ SAXSExiController.prototype.init = function() { /** Loading a single session on the navigation panel * */ - Path.map("#/session/nav/:sessionId/session").to(function() { - + Path.map("#/session/nav/:sessionId/session").to(function() { EXI.clearNavigationPanel(); + EXI.setLoadingMainPanel(true); var listView = new SessionSaxsListView(); /** When selected move to hash * */ listView.onSelect.attach(function(sender, selected) { diff --git a/js/saxs/menu/saxsmainmenu.js b/js/saxs/menu/saxsmainmenu.js index 82d0bb3fa..ae7d12fd7 100644 --- a/js/saxs/menu/saxsmainmenu.js +++ b/js/saxs/menu/saxsmainmenu.js @@ -15,10 +15,8 @@ SAXSMainMenu.prototype.getHomeItem = MainMenu.prototype.getHomeItem; SAXSMainMenu.prototype.getShipmentItem = MainMenu.prototype.getShipmentItem; -SAXSMainMenu.prototype.getMenuItems = function() { - - - +SAXSMainMenu.prototype.getMenuItems = function() { + return [ this.getHomeItem(), this.getShipmentItem(), @@ -26,6 +24,7 @@ SAXSMainMenu.prototype.getMenuItems = function() { text : this._convertToHTMLWhiteSpan("Prepare Experiment"), cls : 'ExiSAXSMenuToolBar', hidden : this.isHidden, + disabled : true, menu : this.getPreparationMenu() }, { text : this._convertToHTMLWhiteSpan("Data Explorer"), diff --git a/js/saxs/view/abinitiomainview.js b/js/saxs/view/abinitiomainview.js new file mode 100644 index 000000000..5ad7958c7 --- /dev/null +++ b/js/saxs/view/abinitiomainview.js @@ -0,0 +1,30 @@ +function AbinitioMainView() { + MainView.call(this); + + /** Abinitio **/ + this.abinitioForm = new AbinitioForm({ + height : 700 + }); +} + + +AbinitioMainView.prototype.getPanel = function() { + return this.abinitioForm.getPanel() +}; + +AbinitioMainView.prototype.load = function(dataCollectionId) { + var _this = this; + + var onSuccess = function (sender, dataCollections) { + if (dataCollections){ + if (dataCollections[0].Subtraction_subtractionId){ + var onSuccessSubtraction = function(sender, subtractions) { + _this.abinitioForm.load(subtractions); + }; + EXI.getDataAdapter({onSuccess : onSuccessSubtraction}).saxs.subtraction.getSubtractionsBySubtractionIdList([dataCollections[0].Subtraction_subtractionId]); + } + } + } + EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsById(dataCollectionId); +}; + diff --git a/js/saxs/view/experimentmainview.js b/js/saxs/view/experimentmainview.js index f9ed37754..7e6916464 100644 --- a/js/saxs/view/experimentmainview.js +++ b/js/saxs/view/experimentmainview.js @@ -15,16 +15,7 @@ function ExperimentMainView() { } ] }); - // Create the combo box, attached to the states data store - // var viscosityEditor = Ext.create('Ext.form.ComboBox', { - // fieldLabel : '', - // store : storeViscosity, - // queryMode : 'local', - // displayField : 'name', - // valueField : 'name' - // }); - - + /** Specimen Widget contains a specimenGrid and a sampleChangerWidget than can be displayed with are vertical or horizontal layout **/ this.specimenWidget = new SpecimenWidget({ height : this.height, @@ -35,14 +26,13 @@ function ExperimentMainView() { this.queueGrid = new OverviewQueueGrid({ positionColumnsHidden : true, -// maxHeight : Ext.getCmp("main_panel").getHeight() - 50, + sorters : [ { property : 'macromoleculeAcronym', direction : 'ASC' } ] }); - - this.queueGridVersion2 = new QueueGridTest(); + this.activePanel = this.queueGrid; @@ -64,12 +54,8 @@ ExperimentMainView.prototype.getToolBar = function() { handler: function(){ onMenuClicked(_this.queueGrid); } - },{ - text: 'Online Data Analysis (v2)', - handler: function(){ - onMenuClicked(_this.queueGridVersion2); - } - },{ + }, + ,{ text: 'Measurements', handler: function(){ onMenuClicked(_this.measurementGrid); @@ -111,4 +97,4 @@ ExperimentMainView.prototype.load = function(dataCollections) { this.panel.removeAll(); this.panel.insert(this.activePanel.getPanel()); this.activePanel.load(dataCollections); -}; \ No newline at end of file +}; diff --git a/js/saxs/view/hplcmainview.js b/js/saxs/view/hplcmainview.js index 005236025..b3f790e5c 100644 --- a/js/saxs/view/hplcmainview.js +++ b/js/saxs/view/hplcmainview.js @@ -5,13 +5,8 @@ function HPLCMainView() { MainView.call(this); - this.grid = new QueueGrid({ - collapsed : true, - positionColumnsHidden : true, - maxHeight : Ext.getCmp("main_panel").getHeight() - 50, - sorters : [ { - property : 'macromoleculeAcronym', - direction : 'ASC' } ] }); + this.grid = new OverviewQueueGrid({ + height : 220 }); this.grid.onSelectionChange.attach(function(sender, elements) { _this.onSelectionChange.notify(elements); @@ -30,20 +25,20 @@ function HPLCMainView() { _this.selectedFrameNumber = []; this.hplcGraph = new HPLCGraph({ title : 'I0', - width : 800, - height : 350, + width : 300, + height : 300, bbar : true, plots : { "I0" : true, "Rg" : true }, - xlabel : "HPLC Frames", + xlabel : "Frames", scaled : true, interactionModel : { 'dblclick' : function(event, g, context) { - _this.selectedFrameNumber.push(g.lastx_); + //_this.selectedFrameNumber.push(g.lastx_); + _this.selectedFrameNumber = [g.lastx_]; _this.plotter.loadHPLCFrame(_this.experimentId, _this.selectedFrameNumber); - - _this.annotations.push({ + /*_this.annotations.push({ series : g.selPoints_[0].name, x : g.lastx_, width : 30, @@ -51,10 +46,43 @@ function HPLCMainView() { tickHeight : 2, shortText : g.lastx_, text : g.lastx_, - attachAtBottom : true }); + attachAtBottom : true });*/ + _this.annotations= [({ + series : g.selPoints_[0].name, + x : g.lastx_, + width : 30, + height : 23, + tickHeight : 2, + shortText : g.lastx_, + text : g.lastx_, + attachAtBottom : true })]; g.setAnnotations(_this.annotations); - - } } }); + + /** Summary Panel */ + var summary = { + frame : _this.selectedFrameNumber, + quality : _.find(_this.hplcGraph.hplcData, {param : 'quality'}).data[_this.selectedFrameNumber], + Qr : _.find(_this.hplcGraph.hplcData, {param : 'Qr'}).data[_this.selectedFrameNumber], + Vc : _.find(_this.hplcGraph.hplcData, {param : 'Vc'}).data[_this.selectedFrameNumber], + Mass : _.find(_this.hplcGraph.hplcData, {param : 'Mass'}).data[_this.selectedFrameNumber], + Rg : _.find(_this.hplcGraph.hplcData, {param : 'Rg'}).data[_this.selectedFrameNumber], + I0 : _.find(_this.hplcGraph.hplcData, {param : 'I0'}).data[_this.selectedFrameNumber], + downloadURL : EXI.getDataAdapter().saxs.hplc.getDownloadHDF5FramesURL(_this.experimentId, _this.selectedFrameNumber, _this.selectedFrameNumber) + } + + + + + var html = ""; + dust.render("summary.hplcmainview.template", [summary], function(err, out) { + + html = html + out; + }); + $('#' + _this.id + "summary").html(html); + + } + } + }); this.hplcGraph.onClearSelection.attach(function(sender) { _this.annotations = []; @@ -63,7 +91,9 @@ function HPLCMainView() { }); this.plotter = new CurvePlotter({ - margin : '10 0 0 0' }); + margin : 10, + width : 300 + }); this.onSelect = new Event(this); this.onDeselect = new Event(this); @@ -77,21 +107,66 @@ HPLCMainView.prototype.getHeader = function(beamlineName, startDate) { }; HPLCMainView.prototype.getPlotContainer = function() { - return { - xtype : 'container', - cls : 'defaultGridPanel', - border : 0, - defaults : { - height : 450 }, - items : [ this.hplcGraph.getPanel(), this.plotter.getPanel() + return { + xtype : 'container', + cls : 'defaultGridPanel', + layout : 'hbox', + border : 1, + defaults : {height : 400 }, + items : [ this.hplcGraph.getPanel(), this.plotter.getPanel() ] }; }; -HPLCMainView.prototype.getContainer = function() { +HPLCMainView.prototype.getSecondaryContainer = function() { + return { + xtype : 'container', + cls : 'defaultGridPanel', + layout : 'hbox', + border : 0, + defaults : {height : 400 }, + items : [ + { + html : '', + margin : 10, + flex : 1 + }, + { + html : '
', + margin : 10, + flex : 1 + } + + ] }; +}; + +HPLCMainView.prototype.getContainer = function() { + return { xtype : 'container', - items : [ this.grid.getPanel(), this.getPlotContainer() ] }; + margin : 10, + items : [ + + { + html : '
', + margin : 10 , + height : 160 + }, + { + html : '
Data Collection
', + margin : 10 , + height : 40 + }, + + this.grid.getPanel(), + { + html : '
Size-exclusion chromatography
', + margin : 10 , + height : 40 + }, + this.getPlotContainer(), + this.getSecondaryContainer() + ] }; }; HPLCMainView.prototype.getSelected = function() { @@ -146,8 +221,8 @@ HPLCMainView.prototype.loadHPLCGraph = function(experimentId) { color : "#FF00FF", data : data.quality, std : zeroArray } ]; - _this.hplcGraph.loadData(data); - + _this.hplcGraph.loadData(data, experimentId); + }; EXI.getDataAdapter({onSuccess : onSuccess}).saxs.hplc.getHPLCOverviewByExperimentId(experimentId); @@ -156,14 +231,31 @@ HPLCMainView.prototype.loadHPLCGraph = function(experimentId) { HPLCMainView.prototype.load = function(experimentId) { var _this = this; this.experimentId = experimentId; - - this.grid.panel.setLoading(); - - var onSuccess = function(sender, data) { - _this.grid.load(data); - _this.grid.panel.setLoading(false); + + var onSuccess = function(sender, data) { + if (data){ + _this.grid.load(data); + if (data[0]){ + var header = { + creationDate : data[0].Experiment_creationDate, + name : data[0].Experiment_name, + type : data[0].Experiment_experimentType, + hdf5 : data[0].Experiment_dataAcquisitionFilePath, + url : EXI.getDataAdapter().saxs.hplc.getDownloadHDF5URL(data[0].Experiment_experimentId) + } + + /** Renedering header */ + var html = ""; + + dust.render("header.hplcmainview.template", header, function(err, out) { + + html = html + out; + }); + $('#' + _this.id + "header").html(html); + } + } }; - EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByExperimentId(experimentId); + EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByExperiment(experimentId); this.loadHPLCGraph(experimentId); }; diff --git a/js/saxs/view/primarydatamainview.js b/js/saxs/view/primarydatamainview.js index 529377cc1..675e9cad9 100644 --- a/js/saxs/view/primarydatamainview.js +++ b/js/saxs/view/primarydatamainview.js @@ -7,10 +7,9 @@ function PrimaryDataMainView() { this.onMeasurementSelectionChange = new Event(this); var _this = this; - - this.frameSelectorGrid = new FrameSelectorGrid(); - this.frameSelectorGrid.onSelectionChange.attach(function(sender, selections){ - debugger + + this.framesGrid = new FramesGrid(); + this.framesGrid.onSelectionChange.attach(function(sender, selections){ _this.plotter.load(selections); }); @@ -18,14 +17,7 @@ function PrimaryDataMainView() { this.plotter = new CurvePlotter({ }); - this.grid = new OverviewQueueGrid({height : 220}); - - - /** Abinitio **/ - this.abinitioForm = new AbinitioForm({ - height : 700 - }); - + this.grid = new OverviewQueueGrid({height : 220}); } @@ -38,9 +30,9 @@ PrimaryDataMainView.prototype.getSlavePanel = function() { margin : 5, border : 0, defaults : { - height : 600 + height : 400 }, - items : [ + items : [ { xtype : 'panel', layout: { @@ -49,91 +41,43 @@ PrimaryDataMainView.prototype.getSlavePanel = function() { animate: true, activeOnTop: true }, - flex : 0.3, + flex : 0.2, border : 1, style : { borderColor : '#000000', borderStyle : 'solid', borderWidth : '1px' }, - items : [ - this.frameSelectorGrid.getPanel() - + items : [ + this.framesGrid.getPanel() ] }, - this.plotter.getPanel() - + this.plotter.getPanel() ] }; - }; - - PrimaryDataMainView.prototype.getPanel = function() { - return Ext.createWidget('tabpanel', - { - plain : true, - layout : 'fit', - margin : '10 0 0 0', - items : [ - { - tabConfig : { - title : 'Primary Data Reduction' - }, - items : [ { - xtype : 'container', - autoScroll : true, - layout : 'fit', - padding : 20, - style : { - borderColor : 'gray', - borderStyle : 'solid', - borderWidth : '1px', - 'background-color' : 'white' - }, - items : [ - { - xtype : 'container', - items : [ - this.grid.getPanel(), - this.getSlavePanel() - ] - } - ] - } - - ] - }, - { - tabConfig : { - title : 'Abinitio Modeling' - }, - items : [ { - xtype : 'container', - layout : 'fit', - autoScroll : true, - height : 850, - padding : 20, - style : { - borderColor : 'gray', - borderStyle : 'solid', - borderWidth : '1px', - 'background-color' : 'white' - }, - items : [ - { - xtype : 'container', - items : [ - this.abinitioForm.getPanel() - ] - } - ] - } - - ] - } - ] - }); + return { + xtype : 'container', + autoScroll : true, + layout : 'fit', + padding : 10, + style : { + borderColor : 'gray', + borderStyle : 'solid', + borderWidth : '1px', + 'background-color' : 'white' + }, + items : [ + { + xtype : 'container', + items : [ + this.grid.getPanel(), + this.getSlavePanel() + ] + } + ] + }; }; PrimaryDataMainView.prototype.load = function(dataCollectionId) { @@ -142,22 +86,69 @@ PrimaryDataMainView.prototype.load = function(dataCollectionId) { var onSuccessA = function (sender, dataCollections) { _this.grid.load(dataCollections); - } + + var onSuccessFrames = function (sender, averages){ + var allFrames = _.map(_.flatten(_.map(_.map(JSON.parse(averages), 'framelist3VO'), 'frametolist3VOs')), 'frame3VO'); + /** Retrieve subtraction */ + var onSuccessSubtractions = function(sender, data) { + if (data){ + if (data[0].substraction3VOs){ + var subtraction = data[0].substraction3VOs[0]; + if (subtraction.sampleOneDimensionalFiles){ + var frameFromSampleAveraged = _.map(subtraction.sampleOneDimensionalFiles.frametolist3VOs, 'frame3VO'); + var frameFromBufferAveraged = _.map(subtraction.bufferOneDimensionalFiles.frametolist3VOs, 'frame3VO'); + + /** Identify discarded frames */ + for (var i in allFrames){ + var frame = allFrames[i]; + debugger + if (_.find(_.concat(frameFromSampleAveraged, frameFromBufferAveraged), {filePath : frame.filePath})){ + frame.discarded = false; + } + else{ + frame.discarded = true; + } + frame.type = 'Frame'; + frame.domId = frame.frameId; + } + + allFrames = _.orderBy(allFrames, ['filePath'], ['asc']); + allFrames.unshift({ + filePath : subtraction.substractedFilePath, + frameId : subtraction.subtractionId, + domId : subtraction.subtractionId + 'Subtraction', + type : 'Subtraction' + }); + allFrames.unshift({ + filePath : subtraction.bufferAverageFilePath, + frameId : subtraction.subtractionId, + domId : subtraction.subtractionId + 'BufferAverage', + type : 'BufferAverage' + }); + allFrames.unshift({ + filePath : subtraction.sampleAverageFilePath, + frameId : subtraction.subtractionId, + domId : subtraction.subtractionId + 'SampleAverage', + type : 'SampleAverage' + }); + _this.framesGrid.load(allFrames); + // if (subtraction.subtractionId){ + // var onSuccessSubtraction = function(sender, subtractions) { + // _this.abinitioForm.load(subtractions); + // }; + // EXI.getDataAdapter({onSuccess : onSuccessSubtraction}).saxs.subtraction.getSubtractionsBySubtractionIdList([subtraction.subtractionId]); + // } + } else { + _this.framesGrid.load(null); + } + } + } + }; + EXI.getDataAdapter({onSuccess : onSuccessSubtractions}).saxs.dataCollection.getDataCollectionsByDataCollectionId(dataCollectionId); + } + EXI.getDataAdapter({onSuccess : onSuccessFrames}).saxs.frame.getFramesByAverageId(_.map(dataCollections, 'Merge_mergeId')); + } EXI.getDataAdapter({onSuccess : onSuccessA}).saxs.dataCollection.getDataCollectionsById(dataCollectionId); - - - var onSuccess = function(sender, data) { - _this.frameSelectorGrid.load(data); - if (data[0].substraction3VOs[0].subtractionId){ - var onSuccessSubtraction = function(sender, subtractions) { - _this.abinitioForm.load(subtractions); - }; - EXI.getDataAdapter({onSuccess : onSuccessSubtraction}).saxs.subtraction.getSubtractionsBySubtractionIdList([data[0].substraction3VOs[0].subtractionId]); - } - }; - EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByDataCollectionId(dataCollectionId); - - }; diff --git a/js/saxs/view/shipmentpreparationmainview.js b/js/saxs/view/shipmentpreparationmainview.js index 24396e517..8a80e282f 100644 --- a/js/saxs/view/shipmentpreparationmainview.js +++ b/js/saxs/view/shipmentpreparationmainview.js @@ -1,6 +1,6 @@ -function ShippingMainView() { +function ShipmentPreparationMainView() { MainView.call(this); @@ -25,10 +25,10 @@ function ShippingMainView() { }); } -ShippingMainView.prototype.getPanel = MainView.prototype.getPanel; +ShipmentPreparationMainView.prototype.getPanel = MainView.prototype.getPanel; -ShippingMainView.prototype.getContainer = function() { +ShipmentPreparationMainView.prototype.getContainer = function() { this.tabPanel = Ext.createWidget('tabpanel', { margin : 10, @@ -62,7 +62,7 @@ ShippingMainView.prototype.getContainer = function() { }; -ShippingMainView.prototype.load = function(shippingId) { +ShipmentPreparationMainView.prototype.load = function(shippingId) { this.shippingId = shippingId; if (shippingId == null){ diff --git a/js/saxs/view/shippingwelcomemainview.js b/js/saxs/view/shippingwelcomemainview.js deleted file mode 100644 index 4528a7c11..000000000 --- a/js/saxs/view/shippingwelcomemainview.js +++ /dev/null @@ -1,100 +0,0 @@ -function ShippingWelcomeMainView() { - this.icon = '../images/icon/rsz_ic_home_black_24dp.png'; - - MainView.call(this); - this.title = "Welcome"; - this.closable = false; -} - -ShippingWelcomeMainView.prototype.getPanel = MainView.prototype.getPanel; -ShippingWelcomeMainView.prototype.getContainer = MainView.prototype.getContainer; - -ShippingWelcomeMainView.prototype.getContainer = function() { - return Ext.createWidget('panel', - { - plain : true, - margin : '10', - layout : 'fit', - items : [ - { - tabConfig : { - title : 'Welcome' - }, - items : [ { - xtype : 'container', - layout : 'fit', - padding : 20, - margin : 0, - cls : 'border-grid', - items : [ - - { - html : '

Shipments

' - }, - { - html : '
A Shipment consists of a set of Dewars which is sent from your home lab to the synchrotron via a courier company. Each dry shipping Dewar within the shipment is identified by a label (barcode or sticker). The dewars(s) contains a set of Containers (Pucks or canes). Containers (typically Pucks), contain Samples. A Sample (Sample Holder) contains the Crystal

', - margin : '0 0 0 20' - }, -// { -// html : '
', -// margin : '0 0 0 20' -// }, -// { -// html : '
Tracking your shipment & contents (Dewars, toolboxes etc) allows you to follow the progress of your shipment from your home Lab to The ESRF.
', -// margin : '0 0 0 20' -// }, -// -// { -// html : '
', -// margin : '0 0 0 20' -// }, -// { -// html : this.getOptions(), -// margin : '0 0 0 40' -// }, - - { - html : '
Do you want to ship your samples to the beamline?

', - margin : '0 0 0 20' - }, - { - xtype : 'container', - layout : 'hbox', - cls : 'option-bar-menu', - items :[ - - { - xtype : 'button', - cls : 'square-option', - maxWidth : 200, - minWidth : 200, - margin : '0 0 0 150', - height : 100, - text : '
Create a new Shipment
', - icon : '../images/icon/add.png', - iconAlign : 'top', - handler : function(){ - - //if (EXI.proposalManager.getFutureSessions().length > 0){ - location.hash = '/shipping/main'; - //} - //else{ - // BUI.showError("Sorry, there are not sessions scheduled for this proposal"); - //} - } - }] - } - - - ] - } - - ] - } - ]}); - }; - - -ShippingWelcomeMainView.prototype.load = function() { - -}; diff --git a/js/saxs/widget/a_queuegrid.js b/js/saxs/widget/a_queuegrid.js index d1a7a17bd..deb3b53a7 100644 --- a/js/saxs/widget/a_queuegrid.js +++ b/js/saxs/widget/a_queuegrid.js @@ -75,7 +75,6 @@ QueueGrid.prototype.getImage = function(subtractionId, category) { QueueGrid.prototype.attachCallBackAfterRender = function(nodeWithScroll) { var _this = this; - var lazy = { bind: 'event', /** !!IMPORTANT this is the parent node which contains the scroll **/ @@ -89,6 +88,7 @@ QueueGrid.prototype.attachCallBackAfterRender = function(nodeWithScroll) { }; var timer1 = setTimeout(function() { $('.queue-img').lazy(lazy);}, 500); + var timer2 = setTimeout(function() { $('.smalllazy').lazy(lazy);}, 500); }; diff --git a/js/saxs/widget/abinitioform.js b/js/saxs/widget/abinitioform.js index 255c735e4..42626da77 100644 --- a/js/saxs/widget/abinitioform.js +++ b/js/saxs/widget/abinitioform.js @@ -24,93 +24,12 @@ function AbinitioForm(args) { width : 700, height : 600 }); - - this.abinitioGrid.onSelected.attach(function(sender, models) { - var modelsIdList = []; - for ( var i in models) { - modelsIdList.push(models[i].modelId); - } - - _this.curvePlotter.loadUrl(EXI.getDataAdapter().saxs.frame.getFramesURL([],[],[],[],[],modelsIdList)); - _this._renderPDB(modelsIdList); - }); - - /** Dygraph Widget that plots fir files**/ - this.curvePlotter = new CurvePlotter({ - }); - /** PDB viewer **/ - this.viewer = new PDBViewer({ - width : 500, - height : 300 - }); - } -AbinitioForm.prototype._renderPDB = function(modelsIdList) { - /** Trying to plot the PDB file **/ - try { - var viz = []; - for (var i = 0; i < modelsIdList.length; i++) { - viz.push({ - modelId : modelsIdList[i], - color : new THREE.Color(0xFF6600), - opacity : 0.8 - }); - } - this.viewer.refresh(viz); - } catch (e) { - console.log(e); - } -}; - - AbinitioForm.prototype.getPanel = function() { - var _this = this; - this.panel = Ext.create('Ext.panel.Panel', { - width : this.width, - cls : 'border-grid', - layout : 'hbox', - height : this.height, - margin : 5, - border : 1, - defaultType : 'textfield', - items : [ - { - xtype : 'container', - layout : 'vbox', - items : [ -// { -// xtype : 'label', -// forId : 'myFieldId', -// text : 'INLINE HELP: To be updated', -// margin : '15 0 20 10', -// cls : "inline-help" -// }, - this.abinitioGrid.getPanel() - ] - }, - { - xtype : 'container', - layout : 'vbox', - items : [ - { - xtype : 'container', - layout : 'fit', - height : 300, - margin : '10 0 0 0', - width : 500, - items : [ - this.curvePlotter.getPanel() - ] - }, - this.viewer.getPanel() - ] - } - ] - }); - return this.panel; + return this.abinitioGrid.getPanel(); }; diff --git a/js/saxs/widget/abinitiogrid.js b/js/saxs/widget/abinitiogrid.js index bf8367033..2a8d1956e 100644 --- a/js/saxs/widget/abinitiogrid.js +++ b/js/saxs/widget/abinitiogrid.js @@ -20,7 +20,7 @@ function AbinitioGrid(args) { AbinitioGrid.prototype.refresh = function(subtractions){ - this.store.loadData(this._prepareData(subtractions)); + $('#' + this.id).html(this.doTemplate(this._prepareData(subtractions))); }; AbinitioGrid.prototype._prepareData = function(subtractions){ @@ -50,181 +50,28 @@ AbinitioGrid.prototype._prepareData = function(subtractions){ } } } + console.log(models) return models; }; -AbinitioGrid.prototype.getPanel = function(){ - var _this = this; - - - var modelFields = [ "modelId", "type", "chiSqrt", "dmax", "firFile", "logFile", "fitFile", "pdbFile", "rfactor", "rg", "volume" ]; - Ext.define('AbinitioModel', { - extend : 'Ext.data.Model', - fields : modelFields - +AbinitioGrid.prototype.doTemplate = function(data){ + var html = ""; + dust.render("abinitiogrid.template", data, function(err, out) { + html = html + out; }); + return html; +}; - /** - * Store in Memory - */ - this.store = Ext.create('Ext.data.Store', { - model : 'AbinitioModel', - autoload : true, - groupField : 'type' - }); - +AbinitioGrid.prototype.getPanel = function(){ - var groupingFeature = Ext.create('Ext.grid.feature.Grouping',{ - groupHeaderTpl: '{name} ({rows.length} model{[values.rows.length > 1 ? "s" : ""]})', - startCollapsed: false, - collapsible : true - }); - var selModel = Ext.create('Ext.selection.RowModel', { - allowDeselect : true, -// mode : 'multi', - listeners : { - selectionchange : function(sm, selections) { - if (selections.length > 0){ - _this.onSelected.notify([selections[0].data]); - } - - } - - } }); - - this.grid = Ext.create('Ext.grid.Panel', { - collapsible : false, - resizable : true, - selModel : selModel, - features: [groupingFeature], - autoscroll : true, - multiSelect : true, - store : this.store, - cls : 'border-grid', - height : this.height, - width : this.width, - margin : 10, - columns : [ { - text : "Type", - dataindex : "type", - hidden : true, - renderer : function(a, b, record) { - return record.data.type; - }, - flex : 1 - }, - { - text : "ModelId", - dataindex : "modelId", - hidden : true, - renderer : function(a, b, record) { - return record.data.modelId; - - }, - flex : 1 - }, - - { - text : "chiSqrt", - dataindex : "chiSqrt", - renderer : function(a, b, record) { - if (record.data.dmax != null) { - return BUI.formatValuesUnits(record.data.chiSqrt, "", 12, this.decimals); - } - - }, - flex : 1 - }, - { - text : "Dmax", - dataindex : "dmax", - renderer : function(a, b, record) { - if (record.data.dmax != null) { - return BUI.formatValuesUnits(record.data.dmax, "nm", 12, this.decimals); - } - - }, - flex : 1 - }, { - text : "rFactor", - dataindex : "rfactor", - hidden : true, - renderer : function(a, b, record) { - if (record.data.rfactor != null) { - return record.data.rfactor; - } - }, - flex : 1 - }, { - text : "Rg", - dataindex : "rg", - renderer : function(a, b, record) { - if (record.data.rg != null) { - return BUI.formatValuesUnits(record.data.rg, "nm", 12, this.decimals); - } - - }, - flex : 1 - }, - { - text : "Volume", - dataindex : "volume", - renderer : function(a, b, record) { - if (record.data.volume != null){ - return BUI.formatValuesUnits(record.data.volume, '') + " nm3"; - } - }, - flex : 1 - }, - { - text : "PDB", - dataindex : "pdbFile", - renderer : function(a, b, record) { - if (record.data.pdbFile != null){ - return record.data.pdbFile.split("/")[record.data.pdbFile.split("/").length - 1]; - } - }, - flex : 1 - }, { - text : "Fir", - dataindex : "firFile", - renderer : function(a, b, record) { - if (record.data.firFile != null){ - return record.data.firFile.split("/")[record.data.firFile.split("/").length - 1]; - } - }, - flex : 1 - }, { - text : "LOG", - dataindex : "logFile", - hidden : true, - renderer : function(a, b, record) { - if (record.data.logFile != null){ - return record.data.logFile.split("/")[record.data.logFile.split("/").length - 1]; - } - }, - flex : 1 - } - ], - viewConfig : { - enableTextSelection : true, - preserveScrollOnRefresh : true, - stripeRows : true, - listeners : { -// 'celldblclick' : function(grid, td, cellIndex, record, tr, rowIndex, e, eOpts) { -// }, -// 'cellclick' : function(grid, td, cellIndex, record, tr, rowIndex, e, eOpts) { -// var models = []; -// debugger -// for (var i = 0; i < grid.getSelectionModel().selected.items.length; i++) { -// models.push(grid.getSelectionModel().selected.items[i].data); -// } -// -// } - } - } - }); - return this.grid; + var html = this.doTemplate({}); -}; + return [{ + html : '
' + html + '
', + autoScroll : true, + border : 1, + padding : 0, + height : this.height + }]; +}; \ No newline at end of file diff --git a/js/saxs/widget/addressform.js b/js/saxs/widget/addressform.js deleted file mode 100644 index 0d6f47954..000000000 --- a/js/saxs/widget/addressform.js +++ /dev/null @@ -1,262 +0,0 @@ -/** - * Edit the information of a buffer - * - * #onRemoveAdditive - */ -function AddressForm(args) { - this.id = BUI.id(); - this.height = 500; - this.width = 500; - - this.isSaveButtonHidden = false; - this.isHidden = false; - - if (args != null) { - if (args.height != null) { - this.height = args.height; - } - if (args.width != null) { - this.width = args.width; - } - if (args.isSaveButtonHidden != null) { - this.isSaveButtonHidden = args.isSaveButtonHidden; - } - if (args.isHidden != null) { - this.isHidden = args.isHidden; - } - - } -} - -AddressForm.prototype.getAddress = function() { - if (this.address == null) { - this.address = {}; - } - this.address["billingReference"] = Ext.getCmp(this.id + "billingReference").getValue(); - this.address["cardName"] = Ext.getCmp(this.id + "cardName").getValue(); - this.address["courierAccount"] = Ext.getCmp(this.id + "courierAccount").getValue(); - this.address["defaultCourrierCompany"] = Ext.getCmp(this.id + "courrierCompany").getValue(); - this.address["dewarAvgCustomsValue"] = Ext.getCmp(this.id + "dewarAvgCustomsValue").getValue(); - this.address["dewarAvgTransportValue"] = Ext.getCmp(this.id + "dewarAvgTransportValue").getValue(); - - if (this.address.personVO == null) { - this.address.personVO = {}; - } - else{ - - } - - this.address.personVO["emailAddress"] = Ext.getCmp(this.id + "emailAddress").getValue(); - this.address.personVO["familyName"] = Ext.getCmp(this.id + "familyName").getValue(); - this.address.personVO["givenName"] = Ext.getCmp(this.id + "name").getValue(); - this.address.personVO["faxNumber"] = Ext.getCmp(this.id + "faxNumber").getValue(); - this.address.personVO["phoneNumber"] = Ext.getCmp(this.id + "phoneNumber").getValue(); - return this.address; -}; - -AddressForm.prototype._loadPerson = function(givenName, familyName, emailAddress, faxNumber, phoneNumber) { - Ext.getCmp(this.id + "emailAddress").setValue(emailAddress); - Ext.getCmp(this.id + "familyName").setValue(familyName); - Ext.getCmp(this.id + "name").setValue(givenName); - Ext.getCmp(this.id + "faxNumber").setValue(faxNumber); - Ext.getCmp(this.id + "phoneNumber").setValue(phoneNumber); -}; - -AddressForm.prototype.load = function(address) { - this.address = address; - - if (address != null) { - Ext.getCmp(this.id + "cardName").setValue(address.cardName); - Ext.getCmp(this.id + "courrierCompany").setValue(address.defaultCourrierCompany); - Ext.getCmp(this.id + "dewarAvgCustomsValue").setValue(address.dewarAvgCustomsValue); - Ext.getCmp(this.id + "dewarAvgTransportValue").setValue(address.dewarAvgTransportValue); - Ext.getCmp(this.id + "courierAccount").setValue(address.courierAccount); - Ext.getCmp(this.id + "billingReference").setValue(address.billingReference); - - if (address.personVO != null) { - this._loadPerson(address.personVO.givenName, address.personVO.familyName, address.personVO.emailAddress, - address.personVO.faxNumber, address.personVO.phoneNumber); - } - } -}; - -AddressForm.prototype.getPersonPanel = function() { - this.personPanel = Ext.create('Ext.panel.Panel', { - layout : 'vbox', - margin : '10', - items : [ { - padding : 10, - xtype : 'container', - layout : 'hbox', - border : false, - items : [ { - xtype : 'requiredtextfield', - id : this.id + 'name', - fieldLabel : 'Name', - labelWidth : 75, - margin : "0 0 0 10", - disabled : true, - width : 200 - }, - { - xtype : 'requiredtextfield', - id : this.id + 'familyName', - fieldLabel : 'Surname', - labelWidth : 75, - disabled : true, - margin : "0 0 0 10", - width : 200 - }, - { - xtype : 'requiredtextfield', - id : this.id + 'emailAddress', - fieldLabel : 'Email', - labelWidth : 75, - margin : "0 0 0 10", - width : 300 - }, - { - id : this.id + 'phoneNumber', - fieldLabel : 'Phone', - xtype : 'textfield', - labelWidth : 75, - margin : "0 0 0 10", - width : 220 - }, - { - id : this.id + 'faxNumber', - fieldLabel : 'Fax', - xtype : 'textfield', - labelWidth : 75, - margin : "0 0 0 10", - width : 220 - } ] }, - - { - padding : 10, - xtype : 'container', - layout : 'hbox', - border : false, - items : [ { - xtype : 'requiredtextfield', - id : this.id + 'cardName', - fieldLabel : 'Card Name', - name : 'CardName', - labelWidth : 150, - margin : "0 0 0 10", - width : 300 - }, - { - xtype : 'requiredtextfield', - id : this.id + 'courierAccount', - fieldLabel : 'Courier Account', - margin : "0 0 0 30", - labelWidth : 150, - width : 300 - }, - { - xtype : 'requiredtextfield', - id : this.id + 'courrierCompany', - fieldLabel : 'Courier Company', - margin : "0 0 0 30", - labelWidth : 150, - width : 300 - } ] }, - - { - padding : 10, - xtype : 'container', - layout : 'hbox', - border : false, - items : [ { - id : this.id + 'dewarAvgCustomsValue', - fieldLabel : 'Average Custom Value', - xtype : 'numberfield', - margin : "0 0 0 10", - minValue : 0, - maxValue : 15, - labelWidth : 150, - width : 300 - }, - { - id : this.id + 'dewarAvgTransportValue', - fieldLabel : 'Average Transport Value', - xtype : 'numberfield', - margin : "0 0 0 30", - minValue : 0, - maxValue : 15, - labelWidth : 150, - width : 300 - }, - { - id : this.id + 'billingReference', - xtype : 'textfield', - fieldLabel : 'Billing Reference', - margin : "0 0 0 30", - labelWidth : 150, - width : 300 - } ] } - - ] }); - return this.personPanel; -}; - -AddressForm.prototype.getPackagePanel = function() { - this.packagePanel = Ext.create('Ext.panel.Panel', { - layout : 'hbox', - items : [ { - padding : 10, - xtype : 'container', - layout : 'vbox', - border : false, - items : [ { - xtype : 'container', - layout : 'hbox', - items : [ - ] - }, { - xtype : 'container', - layout : 'hbox', - margin : "10 0 0 0", - items : [ - - ] } ] } ] }); - return this.packagePanel; -}; - -AddressForm.prototype.getPanel = function() { - this.panel = Ext.create('Ext.panel.Panel', { - hidden : this.isHidden, - layout : 'vbox', - title : 'Shipping Address Card', - cls : "border-grid", - buttons : this.getToolBar(), - icon : '../images/icon/ic_email_black_24dp.png', - items : [ - this.getPersonPanel() - ] }); - return this.panel; -}; - -AddressForm.prototype.save = function() { - var _this = this; - - _this.panel.setLoading(); - var onSuccess = function(sender) { - _this.panel.setLoading(false); - EXI.getDataAdapter().proposal.proposal.update(); - }; - EXI.getDataAdapter({onSuccess : onSuccess }).proposal.labcontacts.saveLabContact(_this.getAddress()); -}; - -AddressForm.prototype.getToolBar = function() { - var _this = this; - return [ { - text : 'Save', - hidden : _this.isSaveButtonHidden, - width : 100, - handler : function() { - _this.save(); - - } } ]; -}; diff --git a/js/saxs/widget/frameselectorgrid.js b/js/saxs/widget/frameselectorgrid.js deleted file mode 100644 index d83dc9623..000000000 --- a/js/saxs/widget/frameselectorgrid.js +++ /dev/null @@ -1,244 +0,0 @@ -function FrameSelectorGrid(args) { - - this.onSelectionChange = new Event(this); -} - -/** - * Fill the tree with information about the subtraction: samples, buffers, - * averages and subtrated curve * - */ -FrameSelectorGrid.prototype.loadData = function(measurements, dataCollections) { - var _this = this; - - /** - * Given a data collection return the run numbers, sample and buffer - * acronym * - */ - function getSubtractionTitleByDataCollection(dataCollection) { - - return "DataCollection"; - /** Sorts datacollection by data collection order - dataCollection.measurementtodatacollection3VOs.sort(function(a, b) { - return a.dataCollectionOrder - b.dataCollectionOrder; - }); - for (var i = 0; i < dataCollection.measurementtodatacollection3VOs.length; i++) { - function getMeasurementTitle(measurementId) { - for (var i = 0; i < _this.measurements.length; i++) { - if (_this.measurements[i].measurementId == measurementId) { - if (_this.measurements[i].macromoleculeId != null) { - return _this.measurements[i].macromoleculeAcronym + ": " + _this.measurements[i].concentration + "mg/ml"; - } - return ""; - }; - }; - }; - title = title + " " + getMeasurementTitle(dataCollection.measurementtodatacollection3VOs[i].measurementId); - } - return title;**/ - } - - /** Gets the sample and buffer frames * */ - function getChildren(dataCollection) { - var children = []; - function getTreeFromFrameList(OneDimensionalFiles) { - var sampleFrames = []; - if (OneDimensionalFiles.frametolist3VOs) { - for (var j = 0; j < OneDimensionalFiles.frametolist3VOs.length; j++) { - sampleFrames.push({ - text : OneDimensionalFiles.frametolist3VOs[j].frame3VO.filePath, - type : "Frame", - frameId : OneDimensionalFiles.frametolist3VOs[j].frame3VO.frameId, - leaf : true }); - } - } - return sampleFrames; - } - - if (dataCollection != null) { - if (dataCollection.substraction3VOs != null) { - dataCollection.substraction3VOs.sort(function(a, b) { - return a.subtractionId - b.subtractionId - }); - if (dataCollection.substraction3VOs.length > 0) { - var lastSubtraction = dataCollection.substraction3VOs[dataCollection.substraction3VOs.length - 1]; - children.push({ - text : lastSubtraction.substractedFilePath, - subtractionId : lastSubtraction.subtractionId, - type : "Subtraction", - leaf : true, } - - ); - children.push({ - text : lastSubtraction.sampleAverageFilePath, - subtractionId : lastSubtraction.subtractionId, - type : "SampleAverage", - leaf : true, } - - ); - children.push({ - text : lastSubtraction.bufferAverageFilePath, - subtractionId : lastSubtraction.subtractionId, - type : "BufferAverage", - leaf : true, } - - ); - - if (lastSubtraction.sampleOneDimensionalFiles != null) { - children.push({ - text : "Sample", - leaf : false, - type : 'Sample', - children : getTreeFromFrameList(lastSubtraction.sampleOneDimensionalFiles, 'Sample') } - - ); - } - if (lastSubtraction.bufferOneDimensionalFiles != null) { - children.push({ - text : "Buffer", - leaf : false, - type : 'Buffer', - children : getTreeFromFrameList(lastSubtraction.bufferOneDimensionalFiles, 'Buffer') } - - ); - } - - } - } - } - return children; - } - - var parsed = []; - for (var i = 0; i < dataCollections.length; i++) { - parsed.push({ - text : getSubtractionTitleByDataCollection(dataCollections[i]), - leaf : false, - children : getChildren(dataCollections[i]) }); - } - - _this.treePanel.setRootNode({ - expanded : true, - children : parsed } - ); -}; - -FrameSelectorGrid.prototype.load = function(data) { - var _this = this; - this.measurements = data; - this.subtractionIds = []; - - var dataCollectionIdList = []; - if (this.measurements != null) { - for (var i = 0; i < this.measurements.length; i++) { - if (this.measurements[i].dataCollectionId != null) { - dataCollectionIdList.push(this.measurements[i].dataCollectionId); - this.subtractionIds.push(this.measurements[i].subtractionId); - } - } - } - this.subtractionIds = $.unique(this.subtractionIds); - - var onSuccess = (function(sender, data) { - if (data != null) { - _this.loadData(_this.measurements, data); - } - - }); - EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByDataCollectionId(dataCollectionIdList); - -}; - -FrameSelectorGrid.prototype.getPanel = function() { - var _this = this; - this.store = Ext.create('Ext.data.TreeStore', { - proxy: { - type: 'memory' - }, - columns : [ { - xtype : 'treecolumn', //this is so we know which column will show the tree - text : 'Text', - dataIndex : 'text' } ] }); - - var selModel = Ext.create('Ext.selection.RowModel', { - allowDeselect : true, - mode : 'multi', - listeners : { - selectionchange : function(sm, selections) { - var frameIds = []; - var sampleAverages = []; - var bufferAverages = []; - var subtractions = []; - if (selections != null) { - for (var i = 0; i < selections.length; i++) { - if (selections[i].data.type) { - if (selections[i].data.type == "Frame") { - frameIds.push(selections[i].data.frameId); - } - if (selections[i].data.type == "SampleAverage") { - sampleAverages.push(selections[i].data.subtractionId); - } - if (selections[i].data.type == "BufferAverage") { - bufferAverages.push(selections[i].data.subtractionId); - } - if (selections[i].data.type == "Subtraction") { - subtractions.push(selections[i].data.subtractionId); - } - } - } - - /** Event is only triggered if node is a leaf **/ - _this.onSelectionChange.notify({ - frame : frameIds, - average : [], - sampleaverage : sampleAverages, - bufferaverage : bufferAverages, - subtracted : subtractions }); - } - - } - - } }); - - this.treePanel = Ext.create('Ext.tree.Panel', { - title : 'Data Collections', - selModel : selModel, - store : this.store, - rootVisible : false, - buttons : [ { - text : "Download", - xtype : 'button', - handler : function(sender) { -// var params = _this.getParams(); - window.open(EXI.getDataAdapter().saxs.subtraction.getZip(_this.subtractionIds.toString())); - } - }], - columns : [ { - xtype : 'treecolumn', - dataIndex : 'text', - flex : 1, - renderer : function(tree, opts, record) { - if (record.data.leaf) { - if (record.data.text.lastIndexOf("/") != -1) { - return record.data.text.substr(record.data.text.lastIndexOf("/") + 1); - } - } - return record.data.text; - } } ] -// , -// dockedItems : [ { -// dock : 'bottom', -// xtype : 'toolbar', -// height : 50, -// items : [ { -// glyph : 61, -// xtype : 'button' }, '-', { -// glyph : 88, -// xtype : 'button' }, { -// glyph : 70, -// xtype : 'button' }, '-', { -// text : 'Sent to idealized curve maker', -// glyph : 1, -// xtype : 'button' } ] } ] - }); - return this.treePanel; -}; diff --git a/js/saxs/widget/framesgrid.js b/js/saxs/widget/framesgrid.js new file mode 100644 index 000000000..c132dd452 --- /dev/null +++ b/js/saxs/widget/framesgrid.js @@ -0,0 +1,121 @@ +function FramesGrid (args) { + this.id = BUI.id(); + this.selectedFrames = []; + + this.onSelectionChange = new Event(this); +} + +FramesGrid.prototype.getPanel = function () { + return { + html : '
', + autoScroll : true + } +}; + +FramesGrid.prototype.load = function (frames) { + if (frames) { + this.frames = frames; + this.frames.id = this.id; + + var html = ""; + dust.render("frames.grid.template",frames,function (err,out){ + html += out; + }); + + $("#" + this.id).html(html); + + this.setClickListeners(); + } else { + $("#" + this.id).html("

No frames found

"); + } +}; + +FramesGrid.prototype.setClickListeners = function () { + var _this = this; + $('#' + this.id + '-frames-table').unbind('click').on('click', '.frame-cell-element', function(event) { + var domId = event.target.id; + if (event.shiftKey && _this.selectedFrames.length > 0){ + var last = _this.selectedFrames[_this.selectedFrames.length-1].domId; + if (last != domId) { + var lastIndex = _this.frames.indexOf(_this.getFrameByDomId(last)); + var currentIndex = _this.frames.indexOf(_this.getFrameByDomId(domId)); + var begin = Math.min(lastIndex, currentIndex); + var end = Math.max(lastIndex, currentIndex); + _this.deselectAll(); + for (var i = begin ; i <= end ; i++) { + _this.select(_this.frames[i].domId); + } + } + } else { + if (event.ctrlKey) { + if (_this.selectedFrames.indexOf(_this.getFrameByDomId(domId)) >= 0) { + _this.deselect(domId); + } else { + _this.select(domId); + } + } else { + if (_this.selectedFrames.length == 1 && _this.selectedFrames[0].domId == domId) { + _this.deselect(domId); + } else { + _this.deselectAll(); + _this.select(domId); + } + } + } + _this.onSelectionChange.notify(_this.parseSelected()); + }); +} + +FramesGrid.prototype.select = function (domId) { + this.selectedFrames.push(this.getFrameByDomId(domId)); + $("#" + domId).addClass('x-grid-item-selected'); +} + +FramesGrid.prototype.deselect = function (domId) { + var _this = this; + _.remove(this.selectedFrames,function(o) {return o.domId == domId}); + $("#" + domId).removeClass('x-grid-item-selected'); +} + +FramesGrid.prototype.deselectAll = function () { + this.selectedFrames = []; + $(".frame-cell-element").removeClass("x-grid-item-selected"); +} + +// FramesGrid.prototype.getFileName = function (filePath) { +// var withExtension = filePath.substring(filePath.lastIndexOf('/')+1); +// return withExtension.substring(0,withExtension.indexOf(".")); +// } + +FramesGrid.prototype.getFrameByDomId = function (domId) { + var _this = this; + return _.filter(this.frames,function (o) {return o.domId == domId})[0]; +}; + +FramesGrid.prototype.parseSelected = function () { + var parsed = { + average : [], + bufferaverage : [], + frame : [], + sampleaverage : [], + subtracted : [] + }; + for (var i = 0 ; i < this.selectedFrames.length ; i++) { + var frame = this.selectedFrames[i]; + switch (frame.type) { + case 'Frame': + parsed.frame.push(frame.frameId); + break; + case 'Subtraction': + parsed.subtracted.push(frame.frameId); + break; + case 'BufferAverage': + parsed.bufferaverage.push(frame.frameId); + break; + case 'SampleAverage': + parsed.sampleaverage.push(frame.frameId); + break; + } + } + return parsed; +} \ No newline at end of file diff --git a/js/saxs/widget/hplcgraph.js b/js/saxs/widget/hplcgraph.js index 389159814..db9d8d0ea 100644 --- a/js/saxs/widget/hplcgraph.js +++ b/js/saxs/widget/hplcgraph.js @@ -20,10 +20,7 @@ function HPLCGraph(args) { if (args != null) { if (args.interactionModel != null) { this.interactionModel = args.interactionModel; - } - if (args.width != null) { - this.width = args.width; - } + } if (args.height != null) { this.height = args.height; } @@ -168,8 +165,7 @@ HPLCGraph.prototype.getPoint = function(data, i) { return [ data.fstd(y - error), data.fdata(y), data.fstd(y + error) ]; } return [ data.fdata(y) - error, data.fdata(y), data.fdata(y) + error ]; - } - return point; + } }; HPLCGraph.prototype.reloadData = function(hplcData) { @@ -268,8 +264,9 @@ HPLCGraph.prototype._renderDygraph = function(parsed, colors, labels) { }; -HPLCGraph.prototype.loadData = function(data) { +HPLCGraph.prototype.loadData = function(data,experimentId) { var _this = this; + this.experimentId = experimentId; this.reloadData(data); this.panel.addDocked({ cls : 'hplcMenu', @@ -319,6 +316,28 @@ HPLCGraph.prototype.loadData = function(data) { isZoomedIgnoreProgrammaticZoom : true, dateWindow : [ start, end ] }); } }, + { + xtype : 'button', + text : 'Download Range', + icon : '../images/icon/ic_get_app_black_24dp.png', + handler : function() { + var start = parseFloat(Ext.getCmp("main_field_start").getValue()); + var end = parseFloat(Ext.getCmp("main_field_end").getValue()); + + if (start < 0) { + start = 0; + } + if (end < 0) { + end = 0; + } + if (start > end) { + var aux = end; + end = start; + start = aux; + } + + location.href = EXI.getDataAdapter().saxs.hplc.getDownloadHDF5FramesURL(_this.experimentId,start, end) + } }, "->", { xtype : 'button', @@ -333,13 +352,11 @@ HPLCGraph.prototype.loadData = function(data) { HPLCGraph.prototype.getPanel = function() { var _this = this; this.panel = Ext.create('Ext.panel.Panel', { - padding : this.plotPanelPadding, - // width : this.width + 4 * this.plotInnerPanelPadding, - // height : this.height + 4 * this.plotInnerPanelPadding - 100, + margin : this.plotPanelPadding, + flex : 1, items : [ { html : "", - id : this.id, - flex : 1, + id : this.id, height : this.height } ] }); this.panel.on("afterrender", function(panel) { @@ -351,9 +368,7 @@ HPLCGraph.prototype.getPanel = function() { return this.panel; }; -HPLCGraph.prototype.input = function() { - return DATADOC.getHPLCData(); -}; + HPLCGraph.prototype.getDataByFrameNumber = function(frameNumber) { var data = {}; @@ -364,23 +379,6 @@ HPLCGraph.prototype.getDataByFrameNumber = function(frameNumber) { return data; }; -HPLCGraph.prototype.test = function(targetId) { - var mainPlotPanel = new HPLCGraph({ - title : 'I0', - width : 800, - height : 400, - plots : { - "I0" : true, - "Rg" : true, - "Mass" : true }, - xlabel : "HPLC Frames", - scaled : this.scaled, - interactionModel : { - 'dblclick' : function(event, g, context) {} } }); - mainPlotPanel.getPanel().render(targetId); - mainPlotPanel.loadData(mainPlotPanel.input()); - -}; function MergesHPLCGraph(args) { HPLCGraph.prototype.constructor.call(this, args); @@ -481,7 +479,7 @@ MergesHPLCGraph.prototype.getMenu = function() { actions.push({ text : "Save", scope : this, - icon : 'images/icon/ic_get_app_black_24dp.png', + icon : '../images/icon/ic_get_app_black_24dp.png', handler : function(item, pressed) { var largeImage = document.createElement("img"); largeImage.style.display = 'block'; @@ -493,23 +491,3 @@ MergesHPLCGraph.prototype.getMenu = function() { return actions; }; - -MergesHPLCGraph.prototype.input = function() { - return DATADOC.getScatteringHPLCFrameData(); -}; - -MergesHPLCGraph.prototype.test = function(targetId) { - var mainPlotPanel = new MergesHPLCGraph({ - title : 'Scattering', - width : this.plotWidth, - height : 500, - showRangeSelector : false, - xParam : 0, - xlabel : "scattering_I", - plots : { - "scattering_I" : true, - "subtracted_I" : true, - "buffer_I" : true } }); - mainPlotPanel.getPanel().render(targetId); - mainPlotPanel.loadData(mainPlotPanel.input()); -}; diff --git a/js/saxs/widget/measurementgrid.js b/js/saxs/widget/measurementgrid.js index 4b670fad3..8db527b6b 100644 --- a/js/saxs/widget/measurementgrid.js +++ b/js/saxs/widget/measurementgrid.js @@ -18,6 +18,8 @@ */ function MeasurementGrid(args) { this.id = BUI.id(); + + this.onRemoved = new Event(this); } @@ -43,64 +45,64 @@ MeasurementGrid.prototype.getPanel = function(){ } }; -MeasurementGrid.prototype._prepareData = function(measurements, experiments) { - var data = []; +// MeasurementGrid.prototype._prepareData = function(measurements, experiments) { +// var data = []; - for (var i = 0; i < measurements.length; i++) { - var measurement = measurements[i]; - var specimen = experiments.getSampleById(measurement.specimenId); - var buffer = EXI.proposalManager.getBufferById(specimen.bufferId); - measurement.buffer_acronym = buffer.acronym; - measurement.bufferId = buffer.bufferId; - measurement.volume = specimen.volume; - if (specimen.macromolecule3VO != null) { - measurement.acronym = specimen.macromolecule3VO.acronym; - measurement.macromoleculeId = specimen.macromolecule3VO.macromoleculeId; - } - measurement.concentration = specimen.concentration; - if (measurement.run3VO != null) { - measurement.energy = measurement.run3VO.energy; - measurement.expExposureTemperature = measurement.run3VO.exposureTemperature; - measurement.storageTemperature = measurement.run3VO.storageTemperature; - measurement.timePerFrame = measurement.run3VO.timePerFrame; - measurement.radiationAbsolute = measurement.run3VO.radiationAbsolute; - measurement.radiationRelative = measurement.run3VO.radiationRelative; - measurement.status = "DONE"; +// for (var i = 0; i < measurements.length; i++) { +// var measurement = measurements[i]; +// var specimen = experiments.getSampleById(measurement.specimenId); +// var buffer = EXI.proposalManager.getBufferById(specimen.bufferId); +// measurement.buffer_acronym = buffer.acronym; +// measurement.bufferId = buffer.bufferId; +// measurement.volume = specimen.volume; +// if (specimen.macromolecule3VO != null) { +// measurement.acronym = specimen.macromolecule3VO.acronym; +// measurement.macromoleculeId = specimen.macromolecule3VO.macromoleculeId; +// } +// measurement.concentration = specimen.concentration; +// if (measurement.run3VO != null) { +// measurement.energy = measurement.run3VO.energy; +// measurement.expExposureTemperature = measurement.run3VO.exposureTemperature; +// measurement.storageTemperature = measurement.run3VO.storageTemperature; +// measurement.timePerFrame = measurement.run3VO.timePerFrame; +// measurement.radiationAbsolute = measurement.run3VO.radiationAbsolute; +// measurement.radiationRelative = measurement.run3VO.radiationRelative; +// measurement.status = "DONE"; - try { +// try { - if (measurement.run3VO.timeStart != null) { - if (measurement.run3VO.timeStart != "") { - measurement.miliseconds = moment(measurement.run3VO.timeStart).format("X"); - } - } - } catch (E) { - console.log(E); - } - } +// if (measurement.run3VO.timeStart != null) { +// if (measurement.run3VO.timeStart != "") { +// measurement.miliseconds = moment(measurement.run3VO.timeStart).format("X"); +// } +// } +// } catch (E) { +// console.log(E); +// } +// } - if (experiments.getDataCollectionByMeasurementId(measurement.measurementId).length > 0) { - var measurementtodatacollection3VOs = experiments.getDataCollectionByMeasurementId(measurement.measurementId)[0].measurementtodatacollection3VOs; - for (var k = 0; k < measurementtodatacollection3VOs.length; k++) { - if (measurementtodatacollection3VOs[k].dataCollectionOrder == 1) { - var specimenBuffer = experiments.getSampleById(experiments.getMeasurementById(measurementtodatacollection3VOs[k].measurementId).specimenId); - if (specimenBuffer.sampleplateposition3VO != null) { - measurement.bufferSampleplateposition3VO = specimenBuffer.sampleplateposition3VO; - measurement.bufferSampleplate = (experiments.getSamplePlateById(specimenBuffer.sampleplateposition3VO.samplePlateId)); - } - } - } - } +// if (experiments.getDataCollectionByMeasurementId(measurement.measurementId).length > 0) { +// var measurementtodatacollection3VOs = experiments.getDataCollectionByMeasurementId(measurement.measurementId)[0].measurementtodatacollection3VOs; +// for (var k = 0; k < measurementtodatacollection3VOs.length; k++) { +// if (measurementtodatacollection3VOs[k].dataCollectionOrder == 1) { +// var specimenBuffer = experiments.getSampleById(experiments.getMeasurementById(measurementtodatacollection3VOs[k].measurementId).specimenId); +// if (specimenBuffer.sampleplateposition3VO != null) { +// measurement.bufferSampleplateposition3VO = specimenBuffer.sampleplateposition3VO; +// measurement.bufferSampleplate = (experiments.getSamplePlateById(specimenBuffer.sampleplateposition3VO.samplePlateId)); +// } +// } +// } +// } - if (this.collapsed) { - /** If collapsed only the samples * */ - if (specimen.macromolecule3VO != null) { - data.push(measurement); - } - } else { - data.push(measurement); - } +// if (this.collapsed) { +// /** If collapsed only the samples * */ +// if (specimen.macromolecule3VO != null) { +// data.push(measurement); +// } +// } else { +// data.push(measurement); +// } - } - return data; -}; \ No newline at end of file +// } +// return data; +// }; \ No newline at end of file diff --git a/js/saxs/widget/overviewqueuegrid.js b/js/saxs/widget/overviewqueuegrid.js index e8a6235b3..ecfabf29c 100644 --- a/js/saxs/widget/overviewqueuegrid.js +++ b/js/saxs/widget/overviewqueuegrid.js @@ -49,29 +49,33 @@ OverviewQueueGrid.prototype.render = function(data) { o.urlSpecific = EXI.getDataAdapter().saxs.frame.downloadFramesByAverageIdList(o.Merge_mergeId); } }); - + for (var dataCollectionId in grouped){ var last = _.maxBy(grouped[dataCollectionId], 'MeasurementToDataCollection_dataCollectionOrder'); - if (last.Subtraction_subtractionId){ - last.rowSpan = grouped[dataCollectionId].length; - last.scattering = this.getImage(last.Subtraction_subtractionId,"scattering"); - last.kratky = this.getImage(last.Subtraction_subtractionId,"kratky"); - last.density = this.getImage(last.Subtraction_subtractionId,"density"); - last.guinier = this.getImage(last.Subtraction_subtractionId,"guinier"); - if (last.Run_creationDate) { - last.dataReduction = true; + if(last){ + if (last.Subtraction_subtractionId){ + last.rowSpan = grouped[dataCollectionId].length; + last.scattering = this.getImage(last.Subtraction_subtractionId,"scattering"); + last.kratky = this.getImage(last.Subtraction_subtractionId,"kratky"); + last.density = this.getImage(last.Subtraction_subtractionId,"density"); + last.guinier = this.getImage(last.Subtraction_subtractionId,"guinier"); + if (last.Run_runId) { + last.dataReduction = true; + } } - } _.minBy(grouped[dataCollectionId], 'MeasurementToDataCollection_dataCollectionOrder').rowClass = "blue-bottom-border-row"; + } } - - - dust.render("overview.queue.grid.test.template", data, function(err, out) { + + dust.render("overview.queue.grid.template", data, function(err, out) { html = html + out; }); $('#' + this.id).html(html); - this.attachCallBackAfterRender(document.getElementById("xx")); + + var nodeWithScroll = document.getElementById(document.getElementById(this.id).parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.id); + + this.attachCallBackAfterRender(nodeWithScroll); }; diff --git a/js/saxs/widget/sampleplategroupwidget.js b/js/saxs/widget/sampleplategroupwidget.js index 051f1b91d..02151703c 100644 --- a/js/saxs/widget/sampleplategroupwidget.js +++ b/js/saxs/widget/sampleplategroupwidget.js @@ -42,10 +42,29 @@ function SamplePlateGroupWidget(args){ /** Events * */ this.onClick = new Event(this); this.onExperimentChanged = new Event(this); + + this.plateGroup = [{ + type: 'Deep Well', + rowCount : 8, + columnCount : 12, + id : 'deep-well' + }, + { + type: ' 4 x ( 8 + 3 ) Block', + rowCount : 4, + columnCount : 11, + id : 'block' + }, + { + type: '96 Well plate', + rowCount : 8, + columnCount : 12, + id : 'well-plate' + }]; } -SamplePlateGroupWidget.prototype.drawPlate = function(experiment, plate, targetId){ +SamplePlateGroupWidget.prototype.drawPlate = function(dataCollections, plate, targetId){ var _this = this; var samplePlateWidget = new SamplePlateWidget( @@ -55,7 +74,7 @@ SamplePlateGroupWidget.prototype.drawPlate = function(experiment, plate, targetI nodeSize : this.nodeSize, fontSize : 8, strokeWidth : 1.5, - enableClick : false + enableClick : true }); if (this.isVerticalLayout()){ @@ -63,15 +82,15 @@ SamplePlateGroupWidget.prototype.drawPlate = function(experiment, plate, targetI samplePlateWidget.height = this.heightPlates - 10; } - samplePlateWidget.draw(experiment, plate, targetId ); + samplePlateWidget.draw(dataCollections, plate, targetId ); samplePlateWidget.onNodeSelected.attach(function(sender, args){ _this.onClick.notify( { samplePlate : args.samplePlate, row : args.node.row, - column : args.node.column - + column : args.node.column, + specimenId : args.node.specimenId } ); }); @@ -90,19 +109,15 @@ SamplePlateGroupWidget.prototype.drawPlate = function(experiment, plate, targetI this.samplePlateWidgets.push(samplePlateWidget); }; -SamplePlateGroupWidget.prototype.drawPlates = function(experiment){ - if (experiment){ - var plateGroups = experiment.getPlateGroups(); - for ( var i = 0; i < plateGroups.length; i++) { - var id = plateGroups[i].plateGroupId; - var plates = experiment.getPlatesByPlateGroupId(id); - for ( var j = 0; j < plates.length; j++) { - var targetId = ('id', this.id + "_" + plates[j].samplePlateId); - if (document.getElementById(targetId) != null){ - this.drawPlate(experiment, plates[j], targetId); - } +SamplePlateGroupWidget.prototype.drawPlates = function(dataCollections){ + if (dataCollections){ + for (var i = 0 ; i < this.plateGroup.length ; i++){ + var plate = this.plateGroup[i]; + var targetId = ('id', this.id + "_" + plate.id); + if (document.getElementById(targetId) != null){ + this.drawPlate(dataCollections, plate, targetId); } - } + } } }; @@ -113,11 +128,11 @@ SamplePlateGroupWidget.prototype._sortPlates = function(a, b) { */ /** This returns maxSlotPositionRow and maxSlotPositionColumn to set visually the sample changer layout **/ -SamplePlateGroupWidget.prototype.getDimensions = function(plates) { +SamplePlateGroupWidget.prototype.getDimensions = function(sample) { var maxSlotPositionRow = 0; var maxSlotPositionColumn = 0; - if (plates != null){ + if (sample != null){ for (var i = 0; i < plates.length; i++) { /** Row **/ var slotPositionRow = plates[i].slotPositionRow; @@ -166,12 +181,8 @@ SamplePlateGroupWidget.prototype.getPlateBySlotPosition = function(plates, row, }; /** Returns the html that will be used to display the plates **/ -SamplePlateGroupWidget.prototype.getPlatesContainer = function(experiment){ +SamplePlateGroupWidget.prototype.getPlatesContainer = function(dataCollections){ var plateGroups = []; - - if (experiment!= null){ - plateGroups = experiment.getPlateGroups(); - } var div = document.createElement("div"); var table = document.createElement("table"); @@ -179,30 +190,25 @@ SamplePlateGroupWidget.prototype.getPlatesContainer = function(experiment){ table.setAttribute('width', this.width - 30 + 'px'); table.setAttribute('height', this.heightPlates + 'px'); - for ( var i = 0; i < plateGroups.length; i++) { - var id = plateGroups[i].plateGroupId; - var plates = experiment.getPlatesByPlateGroupId(id); - var dimensions = this.getDimensions(plates); - - for ( var j = 1; j <= dimensions.maxSlotPositionRow; j++) { - for ( var k = 1; k <= dimensions.maxSlotPositionColumn; k++) { + if (dataCollections!= null){ + for (var i = 0 ; i < this.plateGroup.length ; i++) { var tr = document.createElement("tr"); - var plate = this.getPlateBySlotPosition(plates,j,k); - var td = document.createElement("td"); - td.setAttribute('id', this.id + "_" + plate.samplePlateId); - td.setAttribute('style', "background-color:#E6E6E6;border-width:1px;border-style:solid;"); - /** plate Type title * */ - var divTitle = document.createElement("div"); - divTitle.setAttribute("class", "menu-title"); - var text = document.createTextNode(plate.platetype3VO.name); - divTitle.appendChild(text); - - td.appendChild(divTitle); - tr.appendChild(td); - table.appendChild(tr); - } + // var plate = this.getPlateBySlotPosition(plates,j,k); + var td = document.createElement("td"); + // td.setAttribute('id', this.id + "_" + plate.samplePlateId); + td.setAttribute('id', this.id + "_" + this.plateGroup[i].id); + td.setAttribute('style', "background-color:#E6E6E6;border-width:1px;border-style:solid;"); + /** plate Type title * */ + var divTitle = document.createElement("div"); + divTitle.setAttribute("class", "menu-title"); + var text = document.createTextNode(this.plateGroup[i].type); + divTitle.appendChild(text); + + td.appendChild(divTitle); + tr.appendChild(td); + table.appendChild(tr); } - } + } div.appendChild(table); return div.innerHTML; }; @@ -218,11 +224,9 @@ SamplePlateGroupWidget.prototype.selectSpecimens = function(specimens){ }; SamplePlateGroupWidget.prototype.selectSpecimen = function(specimen){ - if (specimen.sampleplateposition3VO != null){ -// var samplePlateId = specimen.sampleplateposition3VO.samplePlateId; + if (specimen.SamplePlatePosition_samplePlateId != null){ for ( var i = 0; i < this.samplePlateWidgets.length; i++) { -// var samplePlateId = this.samplePlateWidgets[i].samplePlate.samplePlateId; - if ( this.samplePlateWidgets[i].samplePlate.samplePlateId == specimen.sampleplateposition3VO.samplePlateId){ + if ( this.samplePlateWidgets[i].samplePlate.type == specimen.SamplePlate_name){ this.samplePlateWidgets[i].selectSpecimen(specimen); return; } @@ -237,14 +241,13 @@ SamplePlateGroupWidget.prototype._refreshBbar = function(){ } }; -SamplePlateGroupWidget.prototype.refresh = function(experiment){ - this.experiment = experiment; +SamplePlateGroupWidget.prototype.refresh = function(dataCollections){ + this.dataCollections = dataCollections; this.samplePlateWidgets = []; - if (document.getElementById(this.id + "_container") != null){ document.getElementById(this.id + "_container").innerHTML = ""; - document.getElementById(this.id + "_container").innerHTML = this.getPlatesContainer(experiment); - this.drawPlates(experiment); + document.getElementById(this.id + "_container").innerHTML = this.getPlatesContainer(dataCollections); + this.drawPlates(dataCollections); } /** We refrsh also the bbar but it could not exist yet* */ diff --git a/js/saxs/widget/sampleplatewidget.js b/js/saxs/widget/sampleplatewidget.js index d9815eebe..1bea70d94 100644 --- a/js/saxs/widget/sampleplatewidget.js +++ b/js/saxs/widget/sampleplatewidget.js @@ -89,35 +89,37 @@ SamplePlateWidget.prototype.clear = function(experiment, samplePlate, targetId) } }; -SamplePlateWidget.prototype.load = function (experiment) { - for (var i = 0 ; i < experiment.getSamples().length ; i++) { - var specimen = experiment.getSamples()[i]; - if (specimen.sampleplateposition3VO.samplePlateId == this.samplePlate.samplePlateId) { - var nodeId = this.id + "-node-"+ specimen.sampleplateposition3VO.rowNumber + "-" +specimen.sampleplateposition3VO.columnNumber; - var color = experiment.getSpecimenColorByBufferId(specimen.specimenId); - if (specimen.macromolecule3VO != null) { - color = experiment.macromoleculeColors[specimen.macromolecule3VO.macromoleculeId] - } +SamplePlateWidget.prototype.load = function (dataCollections) { + for (var i = 0 ; i < dataCollections.length ; i++) { + var specimen = dataCollections[i]; + if (specimen.SamplePlate_name == this.samplePlate.type) { + var nodeId = this.id + "-node-"+ specimen.SamplePlatePosition_rowNumber + "-" +specimen.SamplePlatePosition_columnNumber; + // var color = experiment.getSpecimenColorByBufferId(specimen.Specimen_specimenId); + // if (specimen.Macromolecule_macromoleculeId != null) { + // color = experiment.macromoleculeColors[specimen.macromolecule3VO.macromoleculeId] + // } + var color = "blue"; + this.getNodeById(nodeId).specimenId = specimen.Specimen_specimenId; $("#" + nodeId).attr("fill",color); - if (specimen.measurements && specimen.measurements.length > 0) { - if (specimen.measurements[0].run3VO.runId != null) { - $("#" + this.id + "-square-"+ specimen.sampleplateposition3VO.rowNumber + "-" +specimen.sampleplateposition3VO.columnNumber).attr("visibility","visible"); + if (specimen.Measurement_measurementId) { + if (specimen.Run_runId != null) { + $("#" + this.id + "-square-"+ specimen.SamplePlatePosition_rowNumber + "-" +specimen.SamplePlatePosition_columnNumber).attr("visibility","visible"); } } } } }; -SamplePlateWidget.prototype.draw = function(experiment, samplePlate, targetId, windowContainerId) { +SamplePlateWidget.prototype.draw = function(dataCollections, samplePlate, targetId, windowContainerId) { this.onVertexUp = new Event(this); this.samplePlate = samplePlate; - this.experiment = experiment; + this.dataCollections = dataCollections; this.targetId = targetId; $("#" + this.targetId).append( "
" ); - var rows = this.samplePlate.platetype3VO.rowCount; - var columns = this.samplePlate.platetype3VO.columnCount; + var rows = this.samplePlate.rowCount; + var columns = this.samplePlate.columnCount; var formatter = { // type : "LineEdgeNetworkFormatter", @@ -156,7 +158,7 @@ SamplePlateWidget.prototype.draw = function(experiment, samplePlate, targetId, w for ( var i = 1; i <= rows; i++) { for ( var j = 1; j <= columns; j++) { var factor = 0.8; - if (this.samplePlate.platetype3VO.name == " 4 x ( 8 + 3 ) Block") { + if (this.samplePlate.type == " 4 x ( 8 + 3 ) Block") { if (j >= 9) { factor = 1.0; } else { @@ -214,11 +216,11 @@ SamplePlateWidget.prototype.draw = function(experiment, samplePlate, targetId, w this.attachClickListeners(); } - this.load(this.experiment); + this.load(this.dataCollections); }; -SamplePlateWidget.prototype.attachClickListeners = function (row, column) { +SamplePlateWidget.prototype.attachClickListeners = function () { var _this = this; for (var i = 0 ; i < this.nodes.length ; i++) { var node = this.nodes[i]; @@ -244,110 +246,15 @@ SamplePlateWidget.prototype.getNodeById = function (id) { SamplePlateWidget.prototype.clearSelection = function() { for (var i = 0 ; i < this.nodes.length ; i++) { var node = this.nodes[i]; - $("#" + node.squareId).removeClass("plate-square-selected"); + $("#" + node.nodeId).removeClass("plate-square-selected"); } }; SamplePlateWidget.prototype.selectSpecimen = function(specimen) { - var squareId = this.id + "-square-"+ specimen.rowNumber + "-" +specimen.columnNumber; - $("#" + squareId).addClass("plate-square-selected"); + var nodeId = this.id + "-node-"+ specimen.SamplePlatePosition_rowNumber + "-" +specimen.SamplePlatePosition_columnNumber; + $("#" + nodeId).addClass("plate-square-selected"); }; -// SamplePlateWidget.prototype.draw = function(experiment, samplePlate, targetId, windowContainerId) { -// var _this = this; -// debugger -// /** This is the id of the window where the sampleplateform is just to position correctly the tooltips **/ -// this.windowContainerId = windowContainerId; -// if (Ext.isIE6 || Ext.isIE7 || Ext.isIE8) { -// document.getElementById(targetId).innerHTML = BUI.getWarningHTML(this.notSupportedMessage); -// return; -// } - -// this.onVertexUp = new Event(this); -// this.samplePlate = samplePlate; -// this.experiment = experiment; - -// this.targetId = targetId; - -// var rows = this.samplePlate.platetype3VO.rowCount; -// var columns = this.samplePlate.platetype3VO.columnCount; - -// this.network = new NetworkWidget({ -// targetId : targetId -// }); -// var dataset = new GraphDataset(); -// var formatter = new NetworkDataSetFormatter({ -// defaultFormat : { -// type : "LineEdgeNetworkFormatter", -// 'fill-opacity' : 1, -// fill : this.wellColor, -// 'stroke-width' : this.strokeWidth, -// 'stroke-opacity' : 1, - -// stroke : "#000000", -// size : this.nodeSize, -// title : { -// fontSize : this.fontSize, -// fill : "#000000" -// } -// } -// }, null, { -// labeled : false, -// height : this.height, -// width : this.width, - -// right : this.width, -// backgroundColor : this.backgroundColor, -// balanceNodes : false, -// nodesMaxSize : 12, -// nodesMinSize : 2 -// }); - -// formatter.dataBind(dataset); -// var layout = new LayoutDataset(); -// layout.dataBind(dataset); -// this.network.draw(dataset, formatter, layout); - -// for ( var i = 1; i <= rows; i++) { -// for ( var j = 1; j <= columns; j++) { -// this.network.getDataset().addNode("", { -// row : i, -// column : j -// }); - -// if (this.samplePlate.platetype3VO.name == " 4 x ( 8 + 3 ) Block") { -// if (j < 9) { -// this.network.getFormatter().vertices[this.network.getDataset().getVerticesCount() - 1].getDefault().setSize(this.nodeSize * 0.8); -// } else { -// this.network.getFormatter().vertices[this.network.getDataset().getVerticesCount() - 1].getDefault().setSize(this.nodeSize * 1.4); -// } -// } - -// } -// } - -// /** EVENT WHEN USER CLICK ON A WELL **/ -// this.network.graphCanvas.onVertexUp.attach(function(sender, nodeId) { -// _this.onVertexUp.notify({ -// samplePlate : _this.samplePlate, -// row : _this.network.getDataset().getVertexById(nodeId).args.row, -// column : _this.network.getDataset().getVertexById(nodeId).args.column - -// }); -// }); - -// this.network.graphCanvas.onVertexOver.attach(function(sender, nodeId) { -// }); - -// this.relayout(this.network, rows, columns); -// this.fillSimulator(this.experiment.getSamples()); - -// if (this.showBorderLabels) { -// this.drawBorders(); -// } - -// }; - SamplePlateWidget.prototype.drawBorders = function() { var xArray = {}; var yArray = {}; @@ -391,40 +298,10 @@ SamplePlateWidget.prototype.addOkIcon = function(x, y, id, specimen) { var id = id + "_marked"; if (this.markedSpecimenId[id] == null) { SVG.drawRectangle(x - 10, y - 10, 22, 22, svg, [ [ "id", id ], [ "fill", "gray" ],["stroke-opacity", "0.5"], [ "fill-opacity", "0.2" ], [ 'stroke', 'black' ] ]); -// $('#' + id).qtip({ -// content : { -// text : _this._getToolTipContent(specimen) -// }, -// position : { -// adjust : { -// x : 0, -// y : 20 -// } -// }, -// style : { -// width : true, -// classes : 'ui-tooltip-shadow' -// } -// }); this.markedSpecimenId[id] = true; } }; -// SamplePlateWidget.prototype.selectSpecimen = function(specimen) { -// var vertex = this.getVertexByPosition(specimen.sampleplateposition3VO.rowNumber, specimen.sampleplateposition3VO.columnNumber); -// var x = this.network.getLayout().vertices[vertex.id].x * this.width; -// var y = this.network.getLayout().vertices[vertex.id].y * this.height; -// var svg = this.network.graphCanvas._svg; -// this.selectedSVGNodes.push(SVG.drawRectangle(x - 9, y - 9, 20, 20, svg, [["fill", "red"], ["fill-opacity", "0"], ['stroke', 'blue' ], [ 'stroke-width', '2' ] ])); -// }; - -// SamplePlateWidget.prototype.clearSelection = function() { -// var svg = this.network.graphCanvas._svg; -// for ( var i = 0; i < this.selectedSVGNodes.length; i++) { -// svg.removeChild(this.selectedSVGNodes[i]); -// } -// this.selectedSVGNodes = []; -// }; SamplePlateWidget.prototype.getVertexByPosition = function(row, column) { var vertices = this.network.getDataset().getVertices(); @@ -436,20 +313,6 @@ SamplePlateWidget.prototype.getVertexByPosition = function(row, column) { return null; }; -//SamplePlateWidget.prototype.getOpacity = function(specimen) { -// var concentrations = this.experiment.getConcentrationsBysample(specimen); -// var normalized = Normalizer.normalizeArray(concentrations); -// for ( var i = 0; i < concentrations.length; i++) { -// if (concentrations[i] == specimen.concentration) { -// if (normalized[i] == 0) -// return 0.2; -// return 0.2 + normalized[i] * 0.6; -// } -// } -// return 1; -// -//}; - SamplePlateWidget.prototype.showLabel = function(row, column, specimen) { if (specimen != null) { var vertex = this.getVertexByPosition(row, column); @@ -566,32 +429,6 @@ SamplePlateWidget.prototype.fillWell = function(row, column, specimen) { if (this.showTooltip) { var id = this.network.getGraphCanvas().getSVGNodeId(vertex.id); -// if (_this.windowContainerId != null) { -// $('#' + id).qtip({ -// content : { -// text : _this._getToolTipContent(specimen) -// }, -// position : { -// adjust : { -// x : 0, -// y : 20 -// } -// } -// }); -// } else { -// $('#' + id).qtip({ -// content : { -// text : _this._getToolTipContent(specimen) -// }, -// position : { -// adjust : { -// x : 0, -// y : 20 -// } -// } -// }); -// -// } } } }; diff --git a/js/saxs/widget/specimengrid.js b/js/saxs/widget/specimengrid.js index a44d03f7d..eae1dd612 100644 --- a/js/saxs/widget/specimengrid.js +++ b/js/saxs/widget/specimengrid.js @@ -60,45 +60,42 @@ function SpecimenGrid(args) { this.onSpecimenChanged = new Event(); } -SpecimenGrid.prototype._prepareData = function(experiment) { +SpecimenGrid.prototype._prepareData = function(dataCollections) { var data = []; - var samples = experiment.getSamples(); - for ( var i = 0; i < samples.length; i++) { - var sample = samples[i]; - if (sample.macromolecule3VO != null) { - sample.macromolecule = sample.macromolecule3VO.acronym; + for ( var i = 0; i < dataCollections.length; i++) { + var sample = dataCollections[i]; + if (sample.Macromolecule_macromoleculeId != null) { + sample.macromolecule = sample.Macromolecule_acronym; sample.exposureTemperature = []; - sample.macromoleculeId = sample.macromolecule3VO.macromoleculeId; + sample.macromoleculeId = sample.Macromolecule_macromoleculeId; } - if (sample.sampleplateposition3VO != null) { - if (sample.sampleplateposition3VO.samplePlateId != null) { - sample.samplePlateId = sample.sampleplateposition3VO.samplePlateId; - sample.rowNumber = sample.sampleplateposition3VO.rowNumber; - sample.columnNumber = sample.sampleplateposition3VO.columnNumber; - if (experiment.getSamplePlateById(sample.sampleplateposition3VO.samplePlateId).plategroup3VO != null) { - sample.plateGroupName = experiment.getSamplePlateById(sample.sampleplateposition3VO.samplePlateId).plategroup3VO.name; - sample.samplePlateName = experiment.getSamplePlateById(sample.sampleplateposition3VO.samplePlateId).name + " [" + sample.plateGroupName + "]"; - sample.slotPositionColumn = experiment.getSamplePlateById(sample.sampleplateposition3VO.samplePlateId).slotPositionColumn; - } + if (sample.SamplePlatePosition_samplePlatePositionId != null) { + if (sample.SamplePlatePosition_samplePlateId != null) { + sample.samplePlateId = sample.SamplePlatePosition_samplePlateId; + sample.rowNumber = sample.SamplePlatePosition_rowNumber; + sample.columnNumber = sample.SamplePlatePosition_columnNumber; + // sample.plateGroupName = experiment.getSamplePlateById(sample.sampleplateposition3VO.samplePlateId).plategroup3VO.name; + sample.samplePlateName = sample.SamplePlate_name; + sample.slotPositionColumn = sample.SamplePlate_slotPositionColumn; } } else { sample.samplePlateName = "Unallocated Specimens"; } /** For grouping, because sencha has not option for multiple grouping I add a field to your store with a convert function that concatenates these two fields and then group by that field.**/ - sample.groupIndex = sample.bufferId + sample.macromoleculeId; - var macromolecule = EXI.proposalManager.getMacromoleculeById(sample.macromoleculeId); + sample.groupIndex = sample.Buffer_bufferId + sample.Macromolecule_macromoleculeId; + var macromolecule = EXI.proposalManager.getMacromoleculeById(sample.Macromolecule_macromoleculeId); sample.acronym = "Buffers"; if (macromolecule != null) { - sample.acronym = EXI.proposalManager.getMacromoleculeById(sample.macromoleculeId).acronym; + sample.acronym = EXI.proposalManager.getMacromoleculeById(sample.Macromolecule_macromoleculeId).acronym; } - sample.buffer = experiment.getBufferById(sample.bufferId); + sample.buffer = EXI.proposalManager.getBufferById(sample.Buffer_bufferId); - sample.volumeToLoad = experiment.getVolumeToLoadBySampleId(sample.sampleId); + sample.volumeToLoad = sample.Measurement_volumeToLoad; data.push(sample); } return data; @@ -112,7 +109,7 @@ SpecimenGrid.prototype.selectById = function(specimenId) { this.grid.getSelectionModel().deselectAll(); for ( var i = 0; i < this.grid.getStore().data.items.length; i++) { var item = this.grid.getStore().data.items[i].data; - if (item.specimenId == specimenId) { + if (item.Specimen_specimenId == specimenId) { this.grid.getSelectionModel().select(i); } } @@ -290,26 +287,37 @@ SpecimenGrid.prototype.getPanelByExperiment = function(experiment) { return this.getPanel(data); }; -SpecimenGrid.prototype.refresh = function(experiment) { - this.experiment = experiment; - var data = this._prepareData(experiment); - this.store.loadData(data); +SpecimenGrid.prototype.refresh = function(dataCollections) { + // debugger + this.dataCollections = dataCollections; + _.map(dataCollections, function(o){ + if(o.Macromolecule_macromoleculeId){ + o.acronym = EXI.proposalManager.getMacromoleculeById(o.Macromolecule_macromoleculeId).acronym; + } else { + o.acronym = "Buffers"; + } + o.groupIndex = o.Buffer_bufferId + o.Macromolecule_macromoleculeId; + }); + // var data = this._prepareData(dataCollections); + + this.store.loadData(dataCollections); }; SpecimenGrid.prototype.getPanel = function() { + var _this = this; this.store = Ext.create('Ext.data.Store', { fields : [ - 'buffer', 'bufferId', 'code', 'macromolecule', 'acronym', 'macromoleculeId', 'concentration', 'volume', 'samplePlateId', - 'slotPositionColumn', 'rowNumber', 'columnNumber', 'groupIndex' ], + 'Buffer_acronym', 'Buffer_bufferId', 'Measurement_code', 'Macromolecule_acronym', 'acronym', 'Macromolecule_macromoleculeId', 'Specimen_concentration', 'Specimen_volume', 'SamplePlatePosition_samplePlateId', + 'SamplePlate_slotPositionColumn', 'SamplePlatePosition_rowNumber', 'SamplePlatePosition_columnNumber', 'groupIndex' ], data : [], groupField : 'acronym' }); this.store.sort([ { - property : 'concentration', + property : 'Specimen_concentration', direction : 'ASC' }, { - property : 'buffer', + property : 'Buffer_acronym', direction : 'ASC' } ]); @@ -318,12 +326,10 @@ SpecimenGrid.prototype.getPanel = function() { // mode : this.selectionMode, listeners : { select : function(sm, record, index, eOpts ) { -// debugger -// var selected = []; -// for ( var i = 0; i < selections.length; i++) { -// selected.push(selections[i].data); -// } _this.onSelected.notify([record.data]); + }, + deselect : function(sm, record, index, eOpts ) { + _this.onSelected.notify([]); } } }); @@ -355,43 +361,37 @@ SpecimenGrid.prototype.getPanel = function() { columns : [ { text : '', - dataIndex : 'macromolecule', + dataIndex : 'Macromolecule_acronym', width : 20, renderer : function(val, y, sample) { - var macromoleculeId = null; - if (sample.data.macromolecule3VO != null) { - macromoleculeId = sample.data.macromolecule3VO.macromoleculeId; - } - else{ - macromoleculeId = sample.data.macromoleculeId; - } - + var macromoleculeId = sample.data.Macromolecule_macromoleculeId; if (macromoleculeId == null) return; - return BUI.getRectangleColorDIV(_this.experiment.macromoleculeColors[macromoleculeId], 10, 10); + // return BUI.getRectangleColorDIV(_this.experiment.macromoleculeColors[macromoleculeId], 10, 10); + return BUI.getRectangleColorDIV("red", 10, 10); } }, { text : 'Macromolecule', - dataIndex : 'macromolecule', + dataIndex : 'Macromolecule_acronym', width : 100 }, { text : '', - dataIndex : 'buffer', + dataIndex : 'Buffer_acronym', width : 20, renderer : function(val, y, sample) { var color = "black"; - if (sample.data.bufferId != null) { - if (_this.experiment.getDataCollectionsBySpecimenId(sample.data.specimenId)[0] != null){ - color = _this.experiment.getSpecimenColorByBufferId(_this.experiment.getMeasurementById(_this.experiment.getDataCollectionsBySpecimenId(sample.data.specimenId)[0].measurementtodatacollection3VOs[0].measurementId).specimenId); - } + if (sample.data.Buffer_bufferId != null) { + // if (_this.experiment.getDataCollectionsBySpecimenId(sample.data.Specimen_specimenId)[0] != null){ + // color = _this.experiment.getSpecimenColorByBufferId(_this.experiment.getMeasurementById(_this.experiment.getDataCollectionsBySpecimenId(sample.data.Specimen_specimenId)[0].measurementtodatacollection3VOs[0].measurementId).specimenId); + // } return BUI.getRectangleColorDIV(color, 10, 10); } } } , { text : 'Buffer', - dataIndex : 'bufferId', + dataIndex : 'Buffer_bufferId', width : 140, editor : BIOSAXS_COMBOMANAGER.getComboBuffers(EXI.proposalManager.getBuffers(), { noLabel : true, @@ -405,7 +405,7 @@ SpecimenGrid.prototype.getPanel = function() { }, { text : 'Conc.', - dataIndex : 'concentration', + dataIndex : 'Specimen_concentration', width : 100, editor : { allowBlank : false @@ -429,35 +429,36 @@ SpecimenGrid.prototype.getPanel = function() { }, { text : 'Vol. Well', - dataIndex : 'volume', + dataIndex : 'Specimen_volume', width : 70, editor : { allowBlank : true }, renderer : function(val, y, sample) { - return BUI.formatValuesUnits(sample.data.volume, 'µl', { + return BUI.formatValuesUnits(sample.data.Specimen_volume, 'µl', { fontSize : 12, decimals : 2, unitsFontSize : this.unitsFontSize }); } }, + // { + // text : 'Position', + // hidden : true, + // flex : 1, + // renderer : function(val, y, sample) { + // return BUI.getSamplePositionHTML(sample.data, _this.experiment); + // } + // }, { - text : 'Position', - hidden : true, - flex : 1, - renderer : function(val, y, sample) { - return BUI.getSamplePositionHTML(sample.data, _this.experiment); - } - }, { text : 'samplePlateId', - dataIndex : 'samplePlateId', + dataIndex : 'SamplePlatePosition_samplePlateId', hidden : true }, { text : 'Plate', hidden : this.isPositionColumnHidden, - dataIndex : 'slotPositionColumn', + dataIndex : 'SamplePlate_slotPositionColumn', editor : _this._getSlotColumBombo(), flex : 1, renderer : function(val, meta, sample) { @@ -470,7 +471,7 @@ SpecimenGrid.prototype.getPanel = function() { }, { text : 'Row', hidden : this.isPositionColumnHidden, - dataIndex : 'rowNumber', + dataIndex : 'SamplePlatePosition_rowNumber', editor : this._getRowCombo(), flex : 1, renderer : function(val, meta, sample) { @@ -483,7 +484,7 @@ SpecimenGrid.prototype.getPanel = function() { }, { text : 'Well', hidden : this.isPositionColumnHidden, - dataIndex : 'columnNumber', + dataIndex : 'SamplePlatePosition_columnNumber', editor : this._getColumnCombo(), flex : 1, renderer : function(val, meta, sample) { @@ -522,8 +523,9 @@ SpecimenGrid.prototype.getPanel = function() { preserveScrollOnRefresh : true, stripeRows : true, getRowClass : function(record) { - var specimens = _this.experiment.getSampleByPosition(record.data.samplePlateId, record.data.rowNumber, - record.data.columnNumber); + var specimens = _.filter(_this.dataCollections,{"SamplePlatePosition_rowNumber":record.data.SamplePlatePosition_rowNumber, + "SamplePlatePosition_columnNumber":record.data.SamplePlatePosition_columnNumber, + "SamplePlatePosition_samplePlateId":record.data.SamplePlatePosition_samplePlateId}); if (specimens.length > 1) { return 'red-row'; diff --git a/js/saxs/widget/specimenwidget.js b/js/saxs/widget/specimenwidget.js index b39a96c07..4ab5f127c 100644 --- a/js/saxs/widget/specimenwidget.js +++ b/js/saxs/widget/specimenwidget.js @@ -63,80 +63,77 @@ function SpecimenWidget(args){ this.samplePlateGroupWidget.onClick.attach(function(sender, args) { /** Clicking on a plate * */ - var row = args.row; - var column = args.column; - var samplePlateId = args.samplePlate.samplePlateId; - - /** is specimen selected on the grid? * */ - if (_this.specimenSelected != null) { - /** Is position target empty * */ - if (_this.experiment.getSampleByPosition(args.samplePlate.samplePlateId, args.row, args.column).length == 0) { - var specimen = _this.experiment.getSampleById(_this.specimenSelected.specimenId); - if (specimen.sampleplateposition3VO == null) { - specimen.sampleplateposition3VO = {}; - } - - specimen.sampleplateposition3VO = { - columnNumber : column, - rowNumber : row, - samplePlateId : samplePlateId - }; - - _this.samplePlateGroupWidget.panel.setLoading("ISPyB: Saving specimen"); - /** If success * */ - var onSuccess = (function(sender, experiment) { - _this.samplePlateGroupWidget.panel.setLoading(false); - _this.samplePlateGroupWidget.refresh(_this.experiment); - _this.specimenGrid.refresh(_this.experiment); - //_this.refresh(_this.experiment); - _this.specimenSelected = null; - _this.specimenGrid.deselectAll(); - }); - -// adapter.onError.attach(function(sender, error) { -// _this.samplePlateGroupWidget.panel.setLoading(false); -// showError(error); -// }); - - EXI.getDataAdapter({onSuccess : onSuccess}).saxs.specimen.saveSpecimen(specimen); - - } else { - /** - * Can we merge? We can merge when specimen are the - * same. So, same buffer, macromolecule, concentration * - */ - var target = _this.experiment.getSampleByPosition(args.samplePlate.samplePlateId, args.row, args.column)[0]; - var specimen = _this.experiment.getSampleById(_this.specimenSelected.specimenId); - if (target == specimen) { - _this.samplePlateGroupWidget.refresh(_this.experiment); - _this.specimenSelected = null; - _this.specimenGrid.deselectAll(); - } else { - if ((specimen.bufferId == target.bufferId) && (specimen.concentration == target.concentration)) { - if (((specimen.macromolecule3VO != null) && (target.macromolecule3VO != null) && (specimen.macromolecule3VO.macromoleculeId == target.macromolecule3VO.macromoleculeId)) || - ((specimen.macromolecule3VO == null) && (target.macromolecule3VO == null))) { - var onSuccess = (function(sender, data) { - _this.load(new Experiment(data)); - _this.samplePlateGroupWidget.panel.setLoading(false); - - _this.onExperimentChanged.notify(experiment); - }); - _this.samplePlateGroupWidget.panel.setLoading("ISPyB: Merging specimens"); - EXI.getDataAdapter({onSuccess : onSuccess}).saxs.specimen.mergeSpecimens(specimen.specimenId, target.specimenId); - _this.specimenSelected = null; - _this.specimenGrid.deselectAll(); - } - } else { - $.notify("Well is not empty. Select another well!", "error"); - } - } - } + // var row = args.row; + // var column = args.column; + // var samplePlate = args.samplePlate; + var specimenId = args.specimenId; + if (_this.specimenSelected && _this.specimenSelected.Specimen_specimenId == specimenId) { + _this.samplePlateGroupWidget.selectSpecimens([]); + _this.specimenGrid.deselectAll(); + _this.specimenSelected = null; } else { - var specimen = _this.experiment.getSampleByPosition(args.samplePlate.samplePlateId, args.row, args.column)[0]; - if (specimen != null) { - _this.specimenGrid.selectById(specimen.specimenId); - } + _this.specimenSelected = {Specimen_specimenId : specimenId}; + _this.specimenGrid.selectById(specimenId); } + +// /** is specimen selected on the grid? * */ +// if (_this.specimenSelected != null) { +// /** Is position target empty * */ +// if (specimenId) { +// _this.samplePlateGroupWidget.panel.setLoading("ISPyB: Saving specimen"); +// /** If success * */ +// var onSuccess = (function(sender, experiment) { +// _this.samplePlateGroupWidget.panel.setLoading(false); +// _this.samplePlateGroupWidget.refresh(_this.experiment); +// _this.specimenGrid.refresh(_this.experiment); +// //_this.refresh(_this.experiment); +// _this.specimenSelected = null; +// _this.specimenGrid.deselectAll(); +// }); + +// // adapter.onError.attach(function(sender, error) { +// // _this.samplePlateGroupWidget.panel.setLoading(false); +// // showError(error); +// // }); + +// EXI.getDataAdapter({onSuccess : onSuccess}).saxs.specimen.saveSpecimen(specimen); + +// } else { +// /** +// * Can we merge? We can merge when specimen are the +// * same. So, same buffer, macromolecule, concentration * +// */ +// var target = _this.experiment.getSampleByPosition(args.samplePlate.samplePlateId, args.row, args.column)[0]; +// var specimen = _this.experiment.getSampleById(_this.specimenSelected.specimenId); +// if (target == specimen) { +// _this.samplePlateGroupWidget.refresh(_this.experiment); +// _this.specimenSelected = null; +// _this.specimenGrid.deselectAll(); +// } else { +// if ((specimen.bufferId == target.bufferId) && (specimen.concentration == target.concentration)) { +// if (((specimen.macromolecule3VO != null) && (target.macromolecule3VO != null) && (specimen.macromolecule3VO.macromoleculeId == target.macromolecule3VO.macromoleculeId)) || +// ((specimen.macromolecule3VO == null) && (target.macromolecule3VO == null))) { +// var onSuccess = (function(sender, data) { +// _this.load(new Experiment(data)); +// _this.samplePlateGroupWidget.panel.setLoading(false); + +// _this.onExperimentChanged.notify(experiment); +// }); +// _this.samplePlateGroupWidget.panel.setLoading("ISPyB: Merging specimens"); +// EXI.getDataAdapter({onSuccess : onSuccess}).saxs.specimen.mergeSpecimens(specimen.specimenId, target.specimenId); +// _this.specimenSelected = null; +// _this.specimenGrid.deselectAll(); +// } +// } else { +// $.notify("Well is not empty. Select another well!", "error"); +// } +// } +// } +// } else { +// if (specimenId != null) { +// _this.specimenGrid.selectById(specimenId); +// } +// } }); /** Events **/ this.onExperimentChanged = new Event(this); @@ -145,8 +142,8 @@ function SpecimenWidget(args){ /** * Return vbox or hbox depending on the slot positions of the plates */ -SpecimenWidget.prototype.getContainerLayoutConfiguration = function(experiment){ - var dimensions = this.samplePlateGroupWidget.getDimensions(experiment.getSamplePlates()); +SpecimenWidget.prototype.getContainerLayoutConfiguration = function(dataCollections){ + // var dimensions = this.samplePlateGroupWidget.getDimensions(experiment.getSamplePlates()); // if (dimensions.maxSlotPositionRow < dimensions.maxSlotPositionColumn){ // return { // layout : "vbox", @@ -167,13 +164,13 @@ SpecimenWidget.prototype.getContainerLayoutConfiguration = function(experiment){ }; -SpecimenWidget.prototype.load = function(experiment){ - this.experiment = experiment; +SpecimenWidget.prototype.load = function(dataCollections){ + this.dataCollections = _.uniqBy(dataCollections,"Specimen_specimenId"); /** Removing all components **/ this.panel.removeAll(); - - var layoutConfiguration = this.getContainerLayoutConfiguration(experiment); + + var layoutConfiguration = this.getContainerLayoutConfiguration(dataCollections); /** Setting new width and height for layout vbox and hbox **/ this.specimenGrid.width = layoutConfiguration.specimenGridWidth; @@ -207,8 +204,8 @@ SpecimenWidget.prototype.load = function(experiment){ this.panel.insert(container); /** Load data **/ - this.specimenGrid.refresh(experiment); - this.samplePlateGroupWidget.refresh(experiment); + this.specimenGrid.refresh(this.dataCollections); + this.samplePlateGroupWidget.refresh(this.dataCollections); }; diff --git a/js/test/view/electrondensityviewer.js b/js/test/view/electrondensityviewer.js new file mode 100644 index 000000000..cd6b729e9 --- /dev/null +++ b/js/test/view/electrondensityviewer.js @@ -0,0 +1,63 @@ +function ElectronDensityViewer (args) { + this.id = BUI.id(); +} + + + +ElectronDensityViewer.prototype.getPanel = function(){ + var _this = this; + + this.panel = Ext.create('Ext.panel.Panel', { + buttons : this.getToolBar(), + items : [ + { + html : '
', + height : 800, + } + ] + }); + + this.panel.on('boxready', function() { + _this.load(); + }); + + return this.panel; +}; + + +ElectronDensityViewer.prototype.load = function(){ + var _this = this; + + var html = ""; + dust.render("electron.density.viewer.template", _this.sample, function(err, out) { + html = html + out; + }); + debugger + $(document.body).html(html); + // $('#' + _this.id).hide().html(html).fadeIn('fast'); + + init_gui(); + this.XV = new XtalViewer("Viewer", null, true, true); + draw_selection_console(this.XV); + this.XV.animate(); + if (!getQuery(this.XV)) { + this.XV.load_pdb("data/1mru.pdb", "1mru"); + this.XV.load_dsn6_map("data/1mru.omap", "2mFo-Dfc", 0); + this.XV.animate(); + } + this.XV.enable_leap_motion(); +}; + +ElectronDensityViewer.prototype.getToolBar = function() { + var _this = this; + return [ + { + xtype : 'button', + text: 'Debugger', + handler: function() { + _this.XV; + debugger; + } + } + ]; +}; \ No newline at end of file diff --git a/js/tracking/controller/trackingexicontroller.js b/js/tracking/controller/trackingexicontroller.js new file mode 100644 index 000000000..345e501e0 --- /dev/null +++ b/js/tracking/controller/trackingexicontroller.js @@ -0,0 +1,24 @@ +function TrackingExiController() { + this.init(); +} + +TrackingExiController.prototype.loadNavigationPanel = ExiController.prototype.loadNavigationPanel; + +TrackingExiController.prototype.init = function() { + var _this = this; + + function setPageBackground() { + _this.setPageBackground(); + } + function notFound() { + _this.notFound(); + } + + /** Loading a single session on the navigation panel * */ + Path.map("#/test").to(function() { + alert("test"); + }).enter(this.setPageBackground); + + Path.rescue(notFound); + +}; diff --git a/js/tracking/existracking.js b/js/tracking/existracking.js new file mode 100644 index 000000000..35ffff701 --- /dev/null +++ b/js/tracking/existracking.js @@ -0,0 +1,44 @@ +function ExiTracking() { + Exi.call(this, { + menu: new TrackingMainMenu(), + anonymousMenu: new MainMenu(), + controllers : [new TrackingExiController(), new ProposalExiController(), new SessionController(), new LabContactExiController()] + }); +} + +ExiTracking.prototype.loadSelected = Exi.prototype.loadSelected; +ExiTracking.prototype.addMainPanel = Exi.prototype.addMainPanel; +ExiTracking.prototype.getSelectedDataCollections = Exi.prototype.getSelectedDataCollections; +ExiTracking.prototype.addNavigationPanel = Exi.prototype.addNavigationPanel; +ExiTracking.prototype.clearNavigationPanel = Exi.prototype.clearNavigationPanel; +ExiTracking.prototype.clearMainPanel = Exi.prototype.clearMainPanel; +ExiTracking.prototype.setLoadingNavigationPanel = Exi.prototype.setLoadingNavigationPanel; +ExiTracking.prototype.setError = Exi.prototype.setError; +ExiTracking.prototype.setLoading = Exi.prototype.setLoading; +ExiTracking.prototype.setLoadingMainPanel = Exi.prototype.setLoadingMainPanel; +ExiTracking.prototype.show = Exi.prototype.show; +ExiTracking.prototype.setAnonymousMenu = Exi.prototype.setAnonymousMenu; +ExiTracking.prototype.setUserMenu = Exi.prototype.setUserMenu; +ExiTracking.prototype.appendDataAdapterParameters = Exi.prototype.appendDataAdapterParameters; +ExiTracking.prototype.hideNavigationPanel = Exi.prototype.hideNavigationPanel; +ExiTracking.prototype.showNavigationPanel = Exi.prototype.showNavigationPanel; + +ExiTracking.prototype.getHeader = function(){ + var html = ""; + var data = { + version : ExtISPyB.version, + release_date : ExtISPyB.release_date + + + }; + + dust.render("trackingheader.template", data, function(err, out){ + html = out; + }); + return html; +}; + +ExiTracking.prototype.getDataAdapter = function(args){ + return new MxDataAdapterFactory(this.appendDataAdapterParameters(args)); +}; + diff --git a/js/tracking/menu/trackingmainmenu.js b/js/tracking/menu/trackingmainmenu.js new file mode 100644 index 000000000..09e1383d5 --- /dev/null +++ b/js/tracking/menu/trackingmainmenu.js @@ -0,0 +1,93 @@ +function TrackingMainMenu() { + this.id = BUI.id(); + MainMenu.call(this, {isHidden : false, cssClass : 'mainMenu'}); +} + +TrackingMainMenu.prototype.populateCredentialsMenu = MainMenu.prototype.populateCredentialsMenu; +TrackingMainMenu.prototype.init = MainMenu.prototype.init; +TrackingMainMenu.prototype.getPanel = MainMenu.prototype.getPanel; +TrackingMainMenu.prototype._convertToHTMLWhiteSpan = MainMenu.prototype._convertToHTMLWhiteSpan; +TrackingMainMenu.prototype.getAddCredentialMenu = MainMenu.prototype.getAddCredentialMenu; +TrackingMainMenu.prototype.getLoginButton = MainMenu.prototype.getLoginButton; +TrackingMainMenu.prototype.setText = MainMenu.prototype.setText; +TrackingMainMenu.prototype.getHelpMenu = MainMenu.prototype.getHelpMenu; + + +/** + * If there is a credential then home tab will redirect to the welcome page (either manager or user) + */ +TrackingMainMenu.prototype.getHomeItem = function() { + return { + text : this._convertToHTMLWhiteSpan("Sessions"), + cls : 'ExiSAXSMenuToolBar', + icon : '../images/icon/rsz_ic_home_black_24dp.png', + handler : function(){ + if (EXI.credentialManager.getCredentials() != null){ + if (EXI.credentialManager.getCredentials().length > 0){ + var username = EXI.credentialManager.getCredentials()[0].username; + var credential = EXI.credentialManager.getCredentialByUserName(EXI.credentialManager.getCredentials()[0].username); + if (credential.isManager()){ + location.hash = "/welcome/manager/" + username + "/main"; + } + else{ + location.hash = "/welcome/user/" + username + "/main"; + } + } + else{ + BUI.showError("You should sign up"); + } + } + else{ + BUI.showError("You should sign up"); + } + } + }; +}; + + +TrackingMainMenu.prototype.getShipmentItem = function() { + return { + text : this._convertToHTMLWhiteSpan("Shipments"), + cls : 'ExiSAXSMenuToolBar', + icon : '../images/icon/ic_email_black_24dp.png', + handler : function(){ + location.hash = "/proposal/shipping/nav" + } + }; +}; + +TrackingMainMenu.prototype.getAddressesItem = function() { + return { + text : this._convertToHTMLWhiteSpan("Lab-contacts"), + cls : 'ExiSAXSMenuToolBar', + icon : '../images/icon/contacts.png', + handler : function(){ + location.hash = "/proposal/addresses/nav"; + } + }; +}; + +TrackingMainMenu.prototype.getMenuItems = function() { + return [ + this.getHomeItem(), + this.getShipmentItem(), + this.getAddressesItem(), + '->', + { + xtype : 'textfield', + name : 'field1', + emptyText : 'search shipment', + hidden : this.isHidden, + listeners : { + specialkey : function(field, e) { + alert("To be implemented"); + /*if (e.getKey() == e.ENTER) { + location.hash = "/datacollection/macromoleculeAcronym/" + field.getValue() + "/main"; + }*/ + } + } + } + ]; +}; + + diff --git a/min/bower_components.min.js b/min/bower_components.min.js index 76a86c09c..dd960ab9b 100644 --- a/min/bower_components.min.js +++ b/min/bower_components.min.js @@ -20935,7 +20935,22 @@ CrystalDataAdapter.prototype.getUrl = DataAdapter.prototype.getUrl, CrystalDataA }, CrystalDataAdapter.prototype.getCrystalById = function(a) { this.get("/{token}/proposal/{proposal}/mx/crystal/{0}/get".format([ a.toString() ])); }, CrystalDataAdapter.prototype.getGeometryclassBySpacegroup = function(a) { - this.get("/{token}/mx/geometryclass/{0}/get".format([ a ])); + this.get("/{token}/proposal/{proposal}/mx/crystal/geometryclass/{0}/list".format([ a ])); +}, CrystalDataAdapter.prototype.save = function(a, b, c, d, e, f, g, h, i, j, k) { + var l = "/{token}/proposal/{proposal}/mx/crystal/proteinid/{0}/save".format([ a ]); + this.post(l, { + proteinId: a, + crystalId: b, + name: c, + spaceGroup: d, + cellA: e, + cellB: f, + cellC: g, + cellAlpha: h, + cellBeta: i, + cellGamma: j, + comments: k + }); }, DataCollectionDataAdapter.prototype.get = DataAdapter.prototype.get, DataCollectionDataAdapter.prototype.post = DataAdapter.prototype.post, DataCollectionDataAdapter.prototype.getUrl = DataAdapter.prototype.getUrl, DataCollectionDataAdapter.prototype.getBySessionsId = function(a) { this.get("/{token}/proposal/{proposal}/mx/datacollection/session/{0}/list".format([ a.toString() ])); @@ -21232,7 +21247,9 @@ DataCollectionSaxsDataAdapter.prototype.getUrl = DataAdapter.prototype.getUrl, D for (var b = this.getSamplePlates(), c = 0; c < b.length; c++) if (b[c].slotPositionColumn == a) return b[c]; }, Experiment.prototype.getSpecimenByPosition = function(a, b, c) { return this.getSampleByPosition(); -}, Experiment.prototype.getSpecimensBySamplePlateId = function(a) { +}; + +Experiment.prototype.getSpecimensBySamplePlateId = function(a) { for (var b = this.getSamples(), c = [], d = 0; d < b.length; d++) null != b[d].sampleplateposition3VO && b[d].sampleplateposition3VO.samplePlateId == a && c.push(b[d]); return c; }; @@ -21240,9 +21257,7 @@ DataCollectionSaxsDataAdapter.prototype.getUrl = DataAdapter.prototype.getUrl, D Experiment.prototype.getSampleByPosition = function(a, b, c) { for (var d = this.getSamples(), e = [], f = 0; f < d.length; f++) null != d[f].sampleplateposition3VO && d[f].sampleplateposition3VO.samplePlateId == a && d[f].sampleplateposition3VO.rowNumber == b && d[f].sampleplateposition3VO.columnNumber == c && e.push(d[f]); return e; -}; - -Experiment.prototype.getPlateGroups = function() { +}, Experiment.prototype.getPlateGroups = function() { for (var a = this.getSamplePlates(), b = [], c = {}, d = 0; d < a.length; d++) if (null != a[d].plategroup3VO) { var e = a[d].plategroup3VO.plateGroupId; null == c[e] && (b.push(a[d].plategroup3VO), c[e] = !0); @@ -21406,6 +21421,10 @@ HPLCSaxsDataAdapter.prototype.getUrl = DataAdapter.prototype.getUrl, HPLCSaxsDat this.get("/{token}/proposal/{proposal}/saxs/experiment/{0}/hplc/overview".format([ a ])); }, HPLCSaxsDataAdapter.prototype.getHPLCFramesScatteringURL = function(a, b) { return this.getUrl("/{token}/proposal/{proposal}/saxs/experiment/{0}/hplc/frame/{1}/get?operation=log".format([ a, b.toString() ])); +}, HPLCSaxsDataAdapter.prototype.getDownloadHDF5URL = function(a) { + return this.getUrl("/{token}/proposal/{proposal}/saxs/experiment/{0}/hplc/download".format([ a ])); +}, HPLCSaxsDataAdapter.prototype.getDownloadHDF5FramesURL = function(a, b, c) { + return this.getUrl("/{token}/proposal/{proposal}/saxs/experiment/{0}/hplc/frame/{1}/{2}/zip".format([ a, b, c ])); }, MacromoleculeSaxsDataAdapter.prototype.get = DataAdapter.prototype.get, MacromoleculeSaxsDataAdapter.prototype.post = DataAdapter.prototype.post, MacromoleculeSaxsDataAdapter.prototype.getUrl = DataAdapter.prototype.getUrl, MacromoleculeSaxsDataAdapter.prototype.saveMacromolecule = function(a) { var b = "/{token}/proposal/{proposal}/saxs/macromolecule/save"; @@ -22361,3 +22380,619 @@ var d;b.isMesh&&(b.matrixAutoUpdate&&b.updateMatrix(),d=b.matrix,b=b.geometry);a loadTextureCube:function(a,b,c,d){console.warn("THREE.ImageUtils.loadTextureCube has been deprecated. Use THREE.CubeTextureLoader() instead.");var e=new Rd;e.setCrossOrigin(this.crossOrigin);a=e.load(a,c,void 0,d);b&&(a.mapping=b);return a},loadCompressedTexture:function(){console.error("THREE.ImageUtils.loadCompressedTexture has been removed. Use THREE.DDSLoader instead.")},loadCompressedTextureCube:function(){console.error("THREE.ImageUtils.loadCompressedTextureCube has been removed. Use THREE.DDSLoader instead.")}}; l.Projector=function(){console.error("THREE.Projector has been moved to /examples/js/renderers/Projector.js.");this.projectVector=function(a,b){console.warn("THREE.Projector: .projectVector() is now vector.project().");a.project(b)};this.unprojectVector=function(a,b){console.warn("THREE.Projector: .unprojectVector() is now vector.unproject().");a.unproject(b)};this.pickingRay=function(){console.error("THREE.Projector: .pickingRay() is now raycaster.setFromCamera().")}};l.CanvasRenderer=function(){console.error("THREE.CanvasRenderer has been moved to /examples/js/renderers/CanvasRenderer.js"); this.domElement=document.createElementNS("http://www.w3.org/1999/xhtml","canvas");this.clear=function(){};this.render=function(){};this.setClearColor=function(){};this.setSize=function(){}};Object.defineProperty(l,"__esModule",{value:!0})}); + +/* Notify.js - http://notifyjs.com/ Copyright (c) 2015 MIT */ +(function (factory) { + // UMD start + // https://github.com/umdjs/umd/blob/master/jqueryPluginCommonjs.js + if (typeof define === 'function' && define.amd) { + // AMD. Register as an anonymous module. + define(['jquery'], factory); + } else if (typeof module === 'object' && module.exports) { + // Node/CommonJS + module.exports = function( root, jQuery ) { + if ( jQuery === undefined ) { + // require('jQuery') returns a factory that requires window to + // build a jQuery instance, we normalize how we use modules + // that require this pattern but the window provided is a noop + // if it's defined (how jquery works) + if ( typeof window !== 'undefined' ) { + jQuery = require('jquery'); + } + else { + jQuery = require('jquery')(root); + } + } + factory(jQuery); + return jQuery; + }; + } else { + // Browser globals + factory(jQuery); + } +}(function ($) { + //IE8 indexOf polyfill + var indexOf = [].indexOf || function(item) { + for (var i = 0, l = this.length; i < l; i++) { + if (i in this && this[i] === item) { + return i; + } + } + return -1; + }; + + var pluginName = "notify"; + var pluginClassName = pluginName + "js"; + var blankFieldName = pluginName + "!blank"; + + var positions = { + t: "top", + m: "middle", + b: "bottom", + l: "left", + c: "center", + r: "right" + }; + var hAligns = ["l", "c", "r"]; + var vAligns = ["t", "m", "b"]; + var mainPositions = ["t", "b", "l", "r"]; + var opposites = { + t: "b", + m: null, + b: "t", + l: "r", + c: null, + r: "l" + }; + + var parsePosition = function(str) { + var pos; + pos = []; + $.each(str.split(/\W+/), function(i, word) { + var w; + w = word.toLowerCase().charAt(0); + if (positions[w]) { + return pos.push(w); + } + }); + return pos; + }; + + var styles = {}; + + var coreStyle = { + name: "core", + html: "
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\n
\n
", + css: "." + pluginClassName + "-corner {\n position: fixed;\n margin: 5px;\n z-index: 1050;\n}\n\n." + pluginClassName + "-corner ." + pluginClassName + "-wrapper,\n." + pluginClassName + "-corner ." + pluginClassName + "-container {\n position: relative;\n display: block;\n height: inherit;\n width: inherit;\n margin: 3px;\n}\n\n." + pluginClassName + "-wrapper {\n z-index: 1;\n position: absolute;\n display: inline-block;\n height: 0;\n width: 0;\n}\n\n." + pluginClassName + "-container {\n display: none;\n z-index: 1;\n position: absolute;\n}\n\n." + pluginClassName + "-hidable {\n cursor: pointer;\n}\n\n[data-notify-text],[data-notify-html] {\n position: relative;\n}\n\n." + pluginClassName + "-arrow {\n position: absolute;\n z-index: 2;\n width: 0;\n height: 0;\n}" + }; + + var stylePrefixes = { + "border-radius": ["-webkit-", "-moz-"] + }; + + var getStyle = function(name) { + return styles[name]; + }; + + var addStyle = function(name, def) { + if (!name) { + throw "Missing Style name"; + } + if (!def) { + throw "Missing Style definition"; + } + if (!def.html) { + throw "Missing Style HTML"; + } + //remove existing style + var existing = styles[name]; + if (existing && existing.cssElem) { + if (window.console) { + console.warn(pluginName + ": overwriting style '" + name + "'"); + } + styles[name].cssElem.remove(); + } + def.name = name; + styles[name] = def; + var cssText = ""; + if (def.classes) { + $.each(def.classes, function(className, props) { + cssText += "." + pluginClassName + "-" + def.name + "-" + className + " {\n"; + $.each(props, function(name, val) { + if (stylePrefixes[name]) { + $.each(stylePrefixes[name], function(i, prefix) { + return cssText += " " + prefix + name + ": " + val + ";\n"; + }); + } + return cssText += " " + name + ": " + val + ";\n"; + }); + return cssText += "}\n"; + }); + } + if (def.css) { + cssText += "/* styles for " + def.name + " */\n" + def.css; + } + if (cssText) { + def.cssElem = insertCSS(cssText); + def.cssElem.attr("id", "notify-" + def.name); + } + var fields = {}; + var elem = $(def.html); + findFields("html", elem, fields); + findFields("text", elem, fields); + def.fields = fields; + }; + + var insertCSS = function(cssText) { + var e, elem, error; + elem = createElem("style"); + elem.attr("type", 'text/css'); + $("head").append(elem); + try { + elem.html(cssText); + } catch (_) { + elem[0].styleSheet.cssText = cssText; + } + return elem; + }; + + var findFields = function(type, elem, fields) { + var attr; + if (type !== "html") { + type = "text"; + } + attr = "data-notify-" + type; + return find(elem, "[" + attr + "]").each(function() { + var name; + name = $(this).attr(attr); + if (!name) { + name = blankFieldName; + } + fields[name] = type; + }); + }; + + var find = function(elem, selector) { + if (elem.is(selector)) { + return elem; + } else { + return elem.find(selector); + } + }; + + var pluginOptions = { + clickToHide: true, + autoHide: true, + autoHideDelay: 5000, + arrowShow: true, + arrowSize: 5, + breakNewLines: true, + elementPosition: "bottom", + globalPosition: "top right", + style: "bootstrap", + className: "error", + showAnimation: "slideDown", + showDuration: 400, + hideAnimation: "slideUp", + hideDuration: 200, + gap: 5 + }; + + var inherit = function(a, b) { + var F; + F = function() {}; + F.prototype = a; + return $.extend(true, new F(), b); + }; + + var defaults = function(opts) { + return $.extend(pluginOptions, opts); + }; + + var createElem = function(tag) { + return $("<" + tag + ">"); + }; + + var globalAnchors = {}; + + var getAnchorElement = function(element) { + var radios; + if (element.is('[type=radio]')) { + radios = element.parents('form:first').find('[type=radio]').filter(function(i, e) { + return $(e).attr("name") === element.attr("name"); + }); + element = radios.first(); + } + return element; + }; + + var incr = function(obj, pos, val) { + var opp, temp; + if (typeof val === "string") { + val = parseInt(val, 10); + } else if (typeof val !== "number") { + return; + } + if (isNaN(val)) { + return; + } + opp = positions[opposites[pos.charAt(0)]]; + temp = pos; + if (obj[opp] !== undefined) { + pos = positions[opp.charAt(0)]; + val = -val; + } + if (obj[pos] === undefined) { + obj[pos] = val; + } else { + obj[pos] += val; + } + return null; + }; + + var realign = function(alignment, inner, outer) { + if (alignment === "l" || alignment === "t") { + return 0; + } else if (alignment === "c" || alignment === "m") { + return outer / 2 - inner / 2; + } else if (alignment === "r" || alignment === "b") { + return outer - inner; + } + throw "Invalid alignment"; + }; + + var encode = function(text) { + encode.e = encode.e || createElem("div"); + return encode.e.text(text).html(); + }; + + function Notification(elem, data, options) { + if (typeof options === "string") { + options = { + className: options + }; + } + this.options = inherit(pluginOptions, $.isPlainObject(options) ? options : {}); + this.loadHTML(); + this.wrapper = $(coreStyle.html); + if (this.options.clickToHide) { + this.wrapper.addClass(pluginClassName + "-hidable"); + } + this.wrapper.data(pluginClassName, this); + this.arrow = this.wrapper.find("." + pluginClassName + "-arrow"); + this.container = this.wrapper.find("." + pluginClassName + "-container"); + this.container.append(this.userContainer); + if (elem && elem.length) { + this.elementType = elem.attr("type"); + this.originalElement = elem; + this.elem = getAnchorElement(elem); + this.elem.data(pluginClassName, this); + this.elem.before(this.wrapper); + } + this.container.hide(); + this.run(data); + } + + Notification.prototype.loadHTML = function() { + var style; + style = this.getStyle(); + this.userContainer = $(style.html); + this.userFields = style.fields; + }; + + Notification.prototype.show = function(show, userCallback) { + var args, callback, elems, fn, hidden; + callback = (function(_this) { + return function() { + if (!show && !_this.elem) { + _this.destroy(); + } + if (userCallback) { + return userCallback(); + } + }; + })(this); + hidden = this.container.parent().parents(':hidden').length > 0; + elems = this.container.add(this.arrow); + args = []; + if (hidden && show) { + fn = "show"; + } else if (hidden && !show) { + fn = "hide"; + } else if (!hidden && show) { + fn = this.options.showAnimation; + args.push(this.options.showDuration); + } else if (!hidden && !show) { + fn = this.options.hideAnimation; + args.push(this.options.hideDuration); + } else { + return callback(); + } + args.push(callback); + return elems[fn].apply(elems, args); + }; + + Notification.prototype.setGlobalPosition = function() { + var p = this.getPosition(); + var pMain = p[0]; + var pAlign = p[1]; + var main = positions[pMain]; + var align = positions[pAlign]; + var key = pMain + "|" + pAlign; + var anchor = globalAnchors[key]; + if (!anchor) { + anchor = globalAnchors[key] = createElem("div"); + var css = {}; + css[main] = 0; + if (align === "middle") { + css.top = '45%'; + } else if (align === "center") { + css.left = '45%'; + } else { + css[align] = 0; + } + anchor.css(css).addClass(pluginClassName + "-corner"); + $("body").append(anchor); + } + return anchor.prepend(this.wrapper); + }; + + Notification.prototype.setElementPosition = function() { + var arrowColor, arrowCss, arrowSize, color, contH, contW, css, elemH, elemIH, elemIW, elemPos, elemW, gap, j, k, len, len1, mainFull, margin, opp, oppFull, pAlign, pArrow, pMain, pos, posFull, position, ref, wrapPos; + position = this.getPosition(); + pMain = position[0]; + pAlign = position[1]; + pArrow = position[2]; + elemPos = this.elem.position(); + elemH = this.elem.outerHeight(); + elemW = this.elem.outerWidth(); + elemIH = this.elem.innerHeight(); + elemIW = this.elem.innerWidth(); + wrapPos = this.wrapper.position(); + contH = this.container.height(); + contW = this.container.width(); + mainFull = positions[pMain]; + opp = opposites[pMain]; + oppFull = positions[opp]; + css = {}; + css[oppFull] = pMain === "b" ? elemH : pMain === "r" ? elemW : 0; + incr(css, "top", elemPos.top - wrapPos.top); + incr(css, "left", elemPos.left - wrapPos.left); + ref = ["top", "left"]; + for (j = 0, len = ref.length; j < len; j++) { + pos = ref[j]; + margin = parseInt(this.elem.css("margin-" + pos), 10); + if (margin) { + incr(css, pos, margin); + } + } + gap = Math.max(0, this.options.gap - (this.options.arrowShow ? arrowSize : 0)); + incr(css, oppFull, gap); + if (!this.options.arrowShow) { + this.arrow.hide(); + } else { + arrowSize = this.options.arrowSize; + arrowCss = $.extend({}, css); + arrowColor = this.userContainer.css("border-color") || this.userContainer.css("border-top-color") || this.userContainer.css("background-color") || "white"; + for (k = 0, len1 = mainPositions.length; k < len1; k++) { + pos = mainPositions[k]; + posFull = positions[pos]; + if (pos === opp) { + continue; + } + color = posFull === mainFull ? arrowColor : "transparent"; + arrowCss["border-" + posFull] = arrowSize + "px solid " + color; + } + incr(css, positions[opp], arrowSize); + if (indexOf.call(mainPositions, pAlign) >= 0) { + incr(arrowCss, positions[pAlign], arrowSize * 2); + } + } + if (indexOf.call(vAligns, pMain) >= 0) { + incr(css, "left", realign(pAlign, contW, elemW)); + if (arrowCss) { + incr(arrowCss, "left", realign(pAlign, arrowSize, elemIW)); + } + } else if (indexOf.call(hAligns, pMain) >= 0) { + incr(css, "top", realign(pAlign, contH, elemH)); + if (arrowCss) { + incr(arrowCss, "top", realign(pAlign, arrowSize, elemIH)); + } + } + if (this.container.is(":visible")) { + css.display = "block"; + } + this.container.removeAttr("style").css(css); + if (arrowCss) { + return this.arrow.removeAttr("style").css(arrowCss); + } + }; + + Notification.prototype.getPosition = function() { + var pos, ref, ref1, ref2, ref3, ref4, ref5, text; + text = this.options.position || (this.elem ? this.options.elementPosition : this.options.globalPosition); + pos = parsePosition(text); + if (pos.length === 0) { + pos[0] = "b"; + } + if (ref = pos[0], indexOf.call(mainPositions, ref) < 0) { + throw "Must be one of [" + mainPositions + "]"; + } + if (pos.length === 1 || ((ref1 = pos[0], indexOf.call(vAligns, ref1) >= 0) && (ref2 = pos[1], indexOf.call(hAligns, ref2) < 0)) || ((ref3 = pos[0], indexOf.call(hAligns, ref3) >= 0) && (ref4 = pos[1], indexOf.call(vAligns, ref4) < 0))) { + pos[1] = (ref5 = pos[0], indexOf.call(hAligns, ref5) >= 0) ? "m" : "l"; + } + if (pos.length === 2) { + pos[2] = pos[1]; + } + return pos; + }; + + Notification.prototype.getStyle = function(name) { + var style; + if (!name) { + name = this.options.style; + } + if (!name) { + name = "default"; + } + style = styles[name]; + if (!style) { + throw "Missing style: " + name; + } + return style; + }; + + Notification.prototype.updateClasses = function() { + var classes, style; + classes = ["base"]; + if ($.isArray(this.options.className)) { + classes = classes.concat(this.options.className); + } else if (this.options.className) { + classes.push(this.options.className); + } + style = this.getStyle(); + classes = $.map(classes, function(n) { + return pluginClassName + "-" + style.name + "-" + n; + }).join(" "); + return this.userContainer.attr("class", classes); + }; + + Notification.prototype.run = function(data, options) { + var d, datas, name, type, value; + if ($.isPlainObject(options)) { + $.extend(this.options, options); + } else if ($.type(options) === "string") { + this.options.className = options; + } + if (this.container && !data) { + this.show(false); + return; + } else if (!this.container && !data) { + return; + } + datas = {}; + if ($.isPlainObject(data)) { + datas = data; + } else { + datas[blankFieldName] = data; + } + for (name in datas) { + d = datas[name]; + type = this.userFields[name]; + if (!type) { + continue; + } + if (type === "text") { + d = encode(d); + if (this.options.breakNewLines) { + d = d.replace(/\n/g, '
'); + } + } + value = name === blankFieldName ? '' : '=' + name; + find(this.userContainer, "[data-notify-" + type + value + "]").html(d); + } + this.updateClasses(); + if (this.elem) { + this.setElementPosition(); + } else { + this.setGlobalPosition(); + } + this.show(true); + if (this.options.autoHide) { + clearTimeout(this.autohideTimer); + this.autohideTimer = setTimeout(this.show.bind(this, false), this.options.autoHideDelay); + } + }; + + Notification.prototype.destroy = function() { + this.wrapper.data(pluginClassName, null); + this.wrapper.remove(); + }; + + $[pluginName] = function(elem, data, options) { + if ((elem && elem.nodeName) || elem.jquery) { + $(elem)[pluginName](data, options); + } else { + options = data; + data = elem; + new Notification(null, data, options); + } + return elem; + }; + + $.fn[pluginName] = function(data, options) { + $(this).each(function() { + var prev = getAnchorElement($(this)).data(pluginClassName); + if (prev) { + prev.destroy(); + } + var curr = new Notification($(this), data, options); + }); + return this; + }; + + $.extend($[pluginName], { + defaults: defaults, + addStyle: addStyle, + pluginOptions: pluginOptions, + getStyle: getStyle, + insertCSS: insertCSS + }); + + //always include the default bootstrap style + addStyle("bootstrap", { + html: "
\n\n
", + classes: { + base: { + "font-weight": "bold", + "padding": "8px 15px 8px 14px", + "text-shadow": "0 1px 0 rgba(255, 255, 255, 0.5)", + "background-color": "#fcf8e3", + "border": "1px solid #fbeed5", + "border-radius": "4px", + "white-space": "nowrap", + "padding-left": "25px", + "background-repeat": "no-repeat", + "background-position": "3px 7px" + }, + error: { + "color": "#B94A48", + "background-color": "#F2DEDE", + "border-color": "#EED3D7", + "background-image": "url(data:image/png;base64,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)" + }, + success: { + "color": "#468847", + "background-color": "#DFF0D8", + "border-color": "#D6E9C6", + "background-image": "url(data:image/png;base64,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)" + }, + info: { + "color": "#3A87AD", + "background-color": "#D9EDF7", + "border-color": "#BCE8F1", + "background-image": "url(data:image/png;base64,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)" + }, + warn: { + "color": "#C09853", + "background-color": "#FCF8E3", + "border-color": "#FBEED5", + "background-image": "url(data:image/png;base64,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)" + } + } + }); + + $(function() { + insertCSS(coreStyle.css).attr("id", "core-notify"); + $(document).on("click", "." + pluginClassName + "-hidable", function(e) { + $(this).trigger("notify-hide"); + }); + $(document).on("notify-hide", "." + pluginClassName + "-wrapper", function(e) { + var elem = $(this).data(pluginClassName); + if(elem) { + elem.show(false); + } + }); + }); + +})); diff --git a/min/exi.js b/min/exi.js index 8416f1cb3..13529dc3c 100644 --- a/min/exi.js +++ b/min/exi.js @@ -1,10 +1,22 @@ dust.helpers.decimal = function(chunk, context, bodies, params) { - if (params.key){ + if (params.key){ var value = context.current()[params.key]; + if (params.key.split(".").length > 1) { + var keys = params.key.split("."); + value = context.current()[keys[0]][keys[1]]; + } if (value){ if (params.decimals != null){ try{ - chunk.write(Number(value).toFixed(params.decimals)); + if (params.intIfPossible){ + if (parseInt(Number(value)) == Number(value)) { + chunk.write(parseInt(Number(value))); + } else { + chunk.write(Number(value).toFixed(params.decimals)); + } + } else { + chunk.write(Number(value).toFixed(params.decimals)); + } } catch(e){ @@ -17,15 +29,28 @@ dust.helpers.decimal = function(chunk, context, bodies, params) { chunk.write(context.current()[params.key]); } } - } else{ chunk.write('WARN: NO KEY SET'); } - return chunk; - + return chunk; }; +dust.helpers.dataCollectionComment = function (chunk, context, bodies, params) { + if (params.key) { + var value = context.current()[params.key]; + if (value){ + if (value.trim() != "") { + chunk.write('Comment: ' + value); + } + } + } + else{ + chunk.write('WARN: NO KEY SET'); + } + return chunk; +} + dust.helpers.sizeOf = function(chunk, context, bodies, params) { var value = this.size(chunk, context, bodies, params); return (bodies && bodies.block) ? chunk.render(bodies.block, context.push({ isSelect: true, isResolved: false, selectKey: value })) : value; @@ -59,8 +84,8 @@ dust.helpers.exponential = function(chunk, context, bodies, params) { }; -dust.helpers.mmVolTest = function(chunk, context, bodies, params) { - var value = context.current()["Subtraction_volumePorod"]; +dust.helpers.mmVolTest = function(chunk, context, bodies, params) { + var value = context.current()["Subtraction_volume"]; if (value){ try{ chunk.write(Number(value / 2).toFixed(1) + " - " + Number(value / 1.5).toFixed(1)); @@ -104,6 +129,21 @@ dust.helpers.framesColor = function(chunk, context, bodies, params) { return chunk; }; + +dust.helpers.fileName = function (chunk, context, bodies, params) { + var filePath = context.current()["filePath"]; + if (filePath) { + try{ + var withExtension = filePath.substring(filePath.lastIndexOf('/')+1); + chunk.write(withExtension.substring(0,withExtension.indexOf("."))); + } + catch(e){ + /** There was an error, we leave same value */ + chunk.write(context.current()[params.key]); + } + } + return chunk; +} // //function ExiController(){ // this.init(); @@ -871,7 +911,7 @@ ProposalManager.prototype.get = function(forceUpdate) { localStorage.setItem("proposals", JSON.stringify(proposals)); _this.onActiveProposalChanged.notify(); }; - EXI.getDataAdapter({async : true, onSuccess : onSuccess}).proposal.proposal.getProposalsInfo(); + EXI.getDataAdapter({async : false, onSuccess : onSuccess}).proposal.proposal.getProposalsInfo(); } return JSON.parse(localStorage.getItem("proposals")); @@ -1395,14 +1435,14 @@ LabContactExiController.prototype.init = function() { adapter.proposal.labcontacts.getLabContacts(); /** Loading welcome page **/ - EXI.addMainPanel(new AddressWelcomeMainView()); + // EXI.addMainPanel(new AddressWelcomeMainView()); }).enter(this.setPageBackground); - Path.map("#/proposal/address/:lacontactId/main").to(function() { + Path.map("#/proposal/address/:labcontactId/main").to(function() { var mainView = new AddressMainView(); EXI.addMainPanel(mainView); - mainView.load(this.params['lacontactId']); + mainView.load(this.params['labcontactId']); }).enter(this.setPageBackground); }; @@ -1748,26 +1788,39 @@ ShippingExiController.prototype.init = function() { Path.map("#/proposal/shipping/nav").to(function() { loadShipmentNavigationList(); - EXI.addMainPanel(new ShippingWelcomeMainView()); + // EXI.addMainPanel(new ShippingWelcomeMainView()); }); Path.map("#/shipping/:shippingId/main").to(function() { - var mainView = new ShippingMainViewTest(); + var mainView = new ShippingMainView(); EXI.addMainPanel(mainView); mainView.load(this.params['shippingId']); }).enter(this.setPageBackground); - Path.map("#/shipping/main").to(function() { - var mainView = new ShippingMainViewTest(); + Path.map("#/shipping/main").to(function() { + + var mainView = new ShippingMainView(); EXI.addMainPanel(mainView); mainView.load(); }).enter(this.setPageBackground); - - Path.map("#/shipping/edv").to(function() { - var mainView = new ElectronDensityViewer(); + Path.map("#/shipping/:shippingId/:shippingStatus/containerId/:containerId/edit").to(function() { + var mainView = new PuckFormView(); + EXI.addMainPanel(mainView); + mainView.load(this.params['containerId'],this.params['shippingId'],this.params['shippingStatus']); + }).enter(this.setPageBackground); + + Path.map("#/shipping/:shippingId/containerId/:containerId/sampleId/:sampleId/editCrystalForm").to(function() { + var mainView = new CrystalFormView(); EXI.addMainPanel(mainView); + mainView.load(this.params['containerId'],this.params['sampleId'],this.params['shippingId']); }).enter(this.setPageBackground); + + // Path.map("#/shipping/edv").to(function() { + // var mainView = new ElectronDensityViewer(); + // EXI.addMainPanel(mainView); + // }).enter(this.setPageBackground); + }; /** @@ -1945,17 +1998,17 @@ MainMenu.prototype.getHomeItem = function() { MainMenu.prototype.getShipmentItem = function() { var _this = this; - function onItemCheck(item, checked) { - if (item.text == "Shipments") { - location.hash = "/proposal/shipping/nav"; - } - if (item.text == "Manage shipping addresses") { - location.hash = "/proposal/addresses/nav"; - } - if (item.text == "Shipment List") { - location.hash = "/proposal/shipping/nav"; - } - } + // function onItemCheck(item, checked) { + // if (item.text == "Shipments") { + // location.hash = "/proposal/shipping/nav"; + // } + // if (item.text == "Manage shipping addresses") { + // location.hash = "/proposal/addresses/nav"; + // } + // if (item.text == "Shipment List") { + // location.hash = "/proposal/shipping/nav"; + // } + // } function getBiosaxsMenu() { var _this = this; @@ -1975,14 +2028,115 @@ MainMenu.prototype.getShipmentItem = function() { } ] }); } + + function getLabContactsMenu() { + var _this = this; + function onItemCheck(item, checked) { + if (item.text == "Add new") { + var addressEditForm = new AddressEditForm(); + addressEditForm.onSaved.attach(function (sender, address) { + window.close(); + location.hash = "#/proposal/address/" + address.labContactId + "/main"; + }); + + var window = Ext.create('Ext.window.Window', { + title : 'Shipping Address Card', + height: 550, + width: 750, + modal : true, + layout : 'fit', + items : [ addressEditForm.getPanel() ], + buttons : [ { + text : 'Save', + handler : function() { + addressEditForm.save(); + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }).show(); + + addressEditForm.load(); + } else if (item.text == "List") { + location.hash = "/proposal/addresses/nav"; + } + } + + return Ext.create('Ext.menu.Menu', { + items : [ + { + text : 'Add new', + icon : '../images/icon/add.png', + handler : onItemCheck + }, { + text : 'List', + icon : '../images/icon/ic_list_black_24dp.png', + handler : onItemCheck + } + ] }); + } + function getShipmentsMenu() { + var _this = this; + function onItemCheck(item, checked) { + if (item.text == "Add new") { + var shippingEditForm = new ShipmentEditForm(); + + shippingEditForm.onSaved.attach(function (sender, shipment) { + window.close(); + location.hash = "#/shipping/"+ shipment.shippingId +"/main" + }); + + var window = Ext.create('Ext.window.Window', { + title : 'Shipment', + height : 450, + width : 600, + modal : true, + layout : 'fit', + items : [ shippingEditForm.getPanel() ], + buttons : [ { + text : 'Save', + handler : function() { + shippingEditForm.saveShipment(); + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }).show(); + + shippingEditForm.load(); + } else if (item.text == "List") { + location.hash = "/proposal/shipping/nav"; + } + + } + + return Ext.create('Ext.menu.Menu', { + items : [ + { + text : 'Add new', + icon : '../images/icon/add.png', + handler : onItemCheck + }, { + text : 'List', + icon : '../images/icon/ic_list_black_24dp.png', + handler : onItemCheck + } + ] }); + } return { text : this._convertToHTMLWhiteSpan("Shipment"), cls : 'ExiSAXSMenuToolBar', // hidden : this.isHidden, - disabled : true, + disabled : false, menu : Ext.create('Ext.menu.Menu', { items : [ { @@ -1993,12 +2147,12 @@ MainMenu.prototype.getShipmentItem = function() { { text : 'Manage shipping addresses', icon : '../images/icon/contacts.png', - handler : onItemCheck + menu : getLabContactsMenu() }, { text : 'Shipments', icon : '../images/icon/shipping.png', - handler : onItemCheck + menu : getShipmentsMenu() } ] }) }; @@ -2143,11 +2297,11 @@ MainMenu.prototype.getLoginButton = function() { }; MainMenu.prototype.getPanel = function() { - var _this = this; + this.credentialsMenu = new Ext.menu.Menu({ - id : _this.id + "menu", - items : [_this.getAddCredentialMenu()] + id : this.id + "menu", + items : [this.getAddCredentialMenu()] }); var items = this.getMenuItems(); @@ -2856,7 +3010,7 @@ CredentialManager.prototype.getBeamlines = function(){ * @param technique [MX, SAXS] * @return */ -CredentialManager.prototype.getBeamlinesByTechnique = function(technique){ +CredentialManager.prototype.getBeamlinesByTechnique = function(technique){ var connections = this.getConnections(); var beamlines = []; for (var i = 0; i < connections.length; i++) { @@ -2975,7 +3129,7 @@ function AddressMainView() { MainView.call(this); - this.addressForm = new AddressForm(); + this.addressForm = new AddressForm({width : Ext.getBody().getWidth()*0.9}); this.onSelect = new Event(this); @@ -2987,7 +3141,7 @@ AddressMainView.prototype.getPanel = MainView.prototype.getPanel; AddressMainView.prototype.getContainer = function() { return Ext.create('Ext.container.Container', { layout: { - type: 'hbox' + type: 'fit' }, margin : 15, border: 1, @@ -3056,17 +3210,18 @@ ManagerWelcomeMainView.prototype.getPanel = MainView.prototype.getPanel; */ ManagerWelcomeMainView.prototype.activeProposal = function(proposal) { - EXI.mainStatusBar.showBusy("Loading proposal " +proposal); + //EXI.mainStatusBar.showBusy("Loading proposal " +proposal); EXI.credentialManager.setActiveProposal(this.username, proposal); EXI.proposalManager.clear(); /** I don't need this to be synchronous **/ - EXI.proposalManager.onActiveProposalChanged = new Event(); + /*EXI.proposalManager.onActiveProposalChanged = new Event(); EXI.proposalManager.onActiveProposalChanged.attach(function(){ EXI.mainStatusBar.showReady(); - console.log(EXI.proposalManager.get()); + }); - EXI.proposalManager.get(); + + EXI.proposalManager.get();*/ }; @@ -3853,146 +4008,12 @@ SessionMainView.prototype.loadByDate = function(start) { -/** - * @showTitle - * - * #onSaved - * #onAddPlates - * #onRemovePlates - **/ -function CaseForm(args) { - this.id = BUI.id(); - this.width = 600; - this.showTitle = true; - if (args != null) { - if (args.showTitle != null) { - this.showTitle = args.showTitle; - } - } - - this.onSaved = new Event(this); -} - -CaseForm.prototype.fillStores = function() { - var _this = this; - this.panel.setLoading("Loading Labcontacts from database"); - - var proposal = BUI.getProposal(); - proposal.onDataRetrieved.attach(function(sender, data) { - _this.labContactForSendingStore.loadData(data, false); - _this.labContactForReturnStore.loadData(data, false); - _this.panel.setLoading(false); - }); - proposal.getLabContactsByProposalId(); - -}; - -CaseForm.prototype.refresh = function(dewar) { - this.setDewar(dewar); -}; - -CaseForm.prototype.getDewar = function() { - this.dewar.code = Ext.getCmp(this.id + "dewar_code").getValue(); - this.dewar.comments = Ext.getCmp(this.id + "dewar_comments").getValue(); - this.dewar.transportValue = Ext.getCmp(this.id + "dewar_transportValue").getValue(); -// this.dewar.storageLocation = Ext.getCmp("dewar_storageLocation").getValue(); - this.dewar.storageLocation = this.storageLocationComboBox.getValue(); - //this.dewar.firstExperimentId = this.sessionsCombo.getValue(); - return this.dewar; -}; - -CaseForm.prototype.setDewar = function(dewar) { - this.dewar = dewar; - - if (this.dewar == null){ - this.dewar={}; - this.dewar["code"] = ""; - this.dewar["transportValue"] = ""; - this.dewar["storageLocation"] = ""; - this.dewar["comments"] = ""; - } - - Ext.getCmp(this.id + "dewar_code").setValue(this.dewar.code); - Ext.getCmp(this.id + "dewar_comments").setValue(this.dewar.comments); - Ext.getCmp(this.id + "dewar_transportValue").setValue(this.dewar.transportValue); -// Ext.getCmp("dewar_storageLocation").setValue(this.dewar.storageLocation); - this.storageLocationComboBox.setValue(this.dewar.storageLocation); - /*if (this.dewar.sessionVO != null) { - this.sessionsCombo.setValue(this.dewar.sessionVO.sessionId); - }*/ -}; - -/* -CaseForm.prototype.getSessionCombo = function() { - this.sessionsCombo = BIOSAXS_COMBOMANAGER.getComboSessions(EXI.proposalManager.getFutureSessions(), { - labelWidth : 200, - margin : '5 0 00 0', - width : 500 - }); - return this.sessionsCombo; -};*/ - -CaseForm.prototype.getStorageLocationCombo = function() { - this.storageLocationComboBox = BIOSAXS_COMBOMANAGER.getComboStorageTemperature(); - return this.storageLocationComboBox; -}; - -CaseForm.prototype.getPanel = function(dewar) { - this.panel = Ext.create('Ext.form.Panel', { - width : this.width - 10, -// cls : 'border-grid', -// margin : 10, - padding : 10, - height : 320, - items : [ { - xtype : 'container', - margin : "2 2 2 2", - collapsible : false, - defaultType : 'textfield', - layout : 'anchor', - items : [ { - xtype : 'container', - layout : 'vbox', - items : [ { - xtype : 'requiredtextfield', - fieldLabel : 'Name', - allowBlank : false, - name : 'code', - id : this.id + 'dewar_code', - labelWidth : 200, - width : 500 - } - ] - }, - this.getStorageLocationCombo(), - { - xtype : 'numberfield', - width : 500, - labelWidth : 200, - margin : '10 0 0 0', - fieldLabel : 'Transport Value', - id : this.id + 'dewar_transportValue' - }, - { - xtype : 'textareafield', - name : 'comments', - fieldLabel : 'Comments', - labelWidth : 200, - width : 500, - margin : '10 0 0 0', - height : 100, - id : this.id + 'dewar_comments' - } ] - } ] - }); - this.refresh(dewar); - return this.panel; -}; - -function ContainerSpreadSheet(args){ +function SpreadSheet(args){ this.id = BUI.id(); this.height = 380; this.width = 500; + this.containerType = "OTHER"; + if (args != null) { if (args.height != null) { this.height = args.height; @@ -4000,12 +4021,14 @@ function ContainerSpreadSheet(args){ if (args.width != null) { this.width = args.width; } + if (args.containerType != null) { + this.containerType = args.containerType; + } } - - this.onModified = new Event(this); + } -ContainerSpreadSheet.prototype.getPanel = function(){ +SpreadSheet.prototype.getPanel = function(){ var _this = this; this.panel = Ext.create('Ext.panel.Panel', { layout : 'vbox', @@ -4023,57 +4046,11 @@ ContainerSpreadSheet.prototype.getPanel = function(){ return this.panel; }; +SpreadSheet.prototype.setLoading = function (bool) { + this.panel.setLoading(bool); +} -ContainerSpreadSheet.prototype.getSamplesData = function(puck) { - var samples = puck.sampleVOs; - var data = []; - /** Sorting samples by location * */ - samples.sort(function(a,b){return Number(a.location) - Number(b.location);}); - function getSampleByLocation(samples, location){ - for (var i = 0; i < samples.length; i++) { - if (samples[i].location == Number(location)){ - return samples[i]; - } - } - } - - function getValue(value){ - if (!value){return "";} - return value; - } - - for (var i = 0; i < puck.capacity; i++) { - var sample = getSampleByLocation(samples, i + 1); - if (sample!= null){ - var crystal = sample.crystalVO; - var protein = crystal.proteinVO; - var diffraction = sample.diffractionPlanVO; - if (diffraction == null){ - diffraction = {}; - } - data.push( - [(i+1), protein.acronym, sample.name, crystal.spaceGroup, diffraction.experimentKind, sample.code, getValue(diffraction["observedResolution"]), diffraction.requiredResolution, diffraction.preferredBeamDiameter, - diffraction.numberOfPositions, diffraction.radiationSensitivity, diffraction.requiredMultiplicity, diffraction.requiredCompleteness, - crystal.cellA, crystal.cellB, crystal.cellC, crystal.cellAlpha, crystal.cellBeta, crystal.cellGamma, sample.smiles, sample.comments - ] - ); - } - else{ - data.push([(i+1)]); - } - } - return data; -}; - - -ContainerSpreadSheet.prototype.getSpaceGroups = function() { - return ["P1","P2","P21","C2","P222","P2221","P21212","P212121","C222","C2221","F222","I222","I212121","P4","P41","P42","P43","P422","P4212","P4122","P41212","P4222","P42212","P4322","P43212", - "I4","I41","I422","I4122","P3","P31","P32","P31","P321","P3112","P3121","P3212","P3221","P6","P61","P65","P62","P64","P63","P622","P6122","P6522","P6222","P6422","P6322","R3","R32","P23","P213", - "P432", "P4232","P4332","P4132","F23","F432","F4132","I23", "I213","I432","I4132", "UNKNOWN"]; -}; - - -ContainerSpreadSheet.prototype.getAcronyms = function() { +SpreadSheet.prototype.getAcronyms = function() { var proteins = EXI.proposalManager.getProteins(); var acronyms = []; for (var i = 0; i < proteins.length; i++) { @@ -4082,49 +4059,11 @@ ContainerSpreadSheet.prototype.getAcronyms = function() { return acronyms; }; +SpreadSheet.prototype.setContainerType = function(containerType) { + this.containerType = containerType; +}; -ContainerSpreadSheet.prototype.getHeader = function() { - return [ - { text : '#', id: 'position', column : {width : 20}}, - { text :'Protein
Acronym', id :'Protein Acronym', column : { - width : 60, - type: 'dropdown', - source: this.getAcronyms() - } - }, - { text :'Sample
Name', id :'Sample Name', column : {width : 120}}, - { text :'Space
Group', id : 'Space Group',column : { - width : 90, - type: 'dropdown', - source: this.getSpaceGroups() - } - }, - { text :'Exp.
Type', id : 'Experiment Type', column : { - width : 80, - type: 'dropdown', - source: [ "Default", "MXPressE", "MXPressO", "MXPressI", "MXPressE_SAD", "MXScore", "MXPressM" ] - } - }, - { text :'Pin
BarCode', id : 'Pin BarCode', column : {width : 45}}, - { text :'Pre-observed
resolution', id : 'Pre-observed resolution', column : {width : 45}}, - { text :'Needed
resolution', id :'Needed resolution', column : {width : 45}}, - { text :'Pref.
Diameter', id :'Pref. Diameter',column : {width : 45}}, - { text :'Number Of
positions', id :'Number Of positions', column : {width : 45}}, - { text :'Radiation
Sensitivity', id :'Radiation Sensitivity', column : {width : 60}}, - { text :'Required
multiplicity', id :'Required multiplicity', column : {width : 60}}, - { text :'Required
Completeness', id :'Required Completeness', column : {width : 60}}, - { text :'A', id :'Unit cell A', column : {width : 40}}, - { text :'B', id :'Unit cell B', column : {width : 40}}, - { text :'C', id : 'Unit cell C', column : {width : 40}}, - { text :'α', id :'Unit cell Alpha', column : {width : 40}}, - { text :'β', id :'Unit cell Beta', column : {width : 40}}, - { text :'γ', id :'Unit cell Gamma', column : {width : 40}}, - { text :'Smiles', id :'Required Completeness', column : {width : 45}}, - { text :'Comments', id :'Comments', column : {width : 45}} - ]; -}; - -ContainerSpreadSheet.prototype.getHeaderWidth = function() { +SpreadSheet.prototype.getHeaderWidth = function() { var header = this.getHeader(); var text = []; for (var i =0; i < header.length; i++){ @@ -4133,8 +4072,8 @@ ContainerSpreadSheet.prototype.getHeaderWidth = function() { return text; }; -ContainerSpreadSheet.prototype.getHeaderId = function() { - var header = this.getHeader(); +SpreadSheet.prototype.getHeaderId = function(containerType) { + var header = this.getHeader(containerType); var text = []; for (var i =0; i < header.length; i++){ text.push(header[i].id); @@ -4142,120 +4081,1324 @@ ContainerSpreadSheet.prototype.getHeaderId = function() { return text; }; -ContainerSpreadSheet.prototype.getHeaderText = function() { - var header = this.getHeader(); - var text = []; - for (var i =0; i < header.length; i++){ - text.push(header[i].text); +SpreadSheet.prototype.getHeaderText = function() { + var header = this.getHeader(); + var text = []; + for (var i =0; i < header.length; i++){ + text.push(header[i].text); + } + return text; +}; + + +SpreadSheet.prototype.getColumns = function() { + var columns = []; + for (var i = 0; i < this.getHeader().length; i++) { + columns.push(this.getHeader()[i].column); + } + return columns; +}; + +/** +* Returns an array of objects for each row in the grid where at least the protein acronym column is filled +* +* @method parseTableData +*/ +SpreadSheet.prototype.parseTableData = function() { + var parsed = []; + var data = this.spreadSheet.getData(); + // var columnIds = this.getHeaderId(); + if (data != null && data.length > 0){ + var columnIds = this.getHeaderId(); + for (var j = 0; j < data.length; j++) { + if (data[j].length > 1){ + var row = {}; + row["location"] = j + 1; + for (var k = 0 ; k < columnIds.length ; k++) { + var key = columnIds[k]; + var value = data[j][this.getColumnIndex(key)]; + row[key] = value; + } + if (row["Protein Acronym"]){ + if (row["Protein Acronym"].length > 0){ + parsed.push(row); + } + } + } + } + } + /** Curated contains the whole-data rows * */ + var curated = []; + for (var i = 0; i < parsed.length; i++) { + if (parsed[i]["Protein Acronym"] != null){ + curated.push(parsed[i]); + } + } + return curated; +}; + +SpreadSheet.prototype.load = function(data){ + var _this = this; + this.data = data; + var container = document.getElementById(this.id + '_samples'); + + this.spreadSheet = new Handsontable(container, { + data: data, + height : this.height, + width : this.width, + manualColumnResize: true, + colWidths: this.getHeaderWidth(), + colHeaders: this.getHeaderText(), + stretchH: 'last', + columns: this.getColumns(), + }); +}; + +SpreadSheet.prototype.getData = function () { + return this.spreadSheet.getData(); +} + +SpreadSheet.prototype.loadData = function (data) { + return this.spreadSheet.loadData(data); +} + +SpreadSheet.prototype.setDataAtCell = function (rowIndex, columnIndex, value) { + this.spreadSheet.setDataAtCell(rowIndex, columnIndex, value); +} + +/** +* Returns the columnIndex given the columnId +* +* @method getColumnIndex +* @param {Integer} colId The column Id of the column it's column index we want to know +* @param {String} containerType Optional value to use if we want the header for an specific containerType +*/ +SpreadSheet.prototype.getColumnIndex = function (colId) { + return _.findIndex(this.getHeader(),{id :colId}); +} + +/** +* Changes the number of rows in the grid +* +* @method updateNumberOfRows +* @param {Integer} n The new number of rows +*/ +SpreadSheet.prototype.updateNumberOfRows = function (n) { + if (this.spreadSheet) { + var data = this.spreadSheet.getData(); + //Sets the appropiate number of rows according to the capacity + if (data.length < n){ + for (var i = data.length + 1; i<= n; i++){ + data.push([i]); + } + } + else{ + data = data.slice(0, n); + } + this.spreadSheet.loadData(data); + } +} + +/** +* Sets an empty value for all the cells in a given row +* +* @method emptyRow +* @param {Integer} row The row index to be emptied +*/ +SpreadSheet.prototype.emptyRow = function (row) { + var columnIds = this.getHeaderId(); + for (var i = 1 ; i < columnIds.length ; i++) { + this.setDataAtCell(row,i,""); + } +} +function AddContainerForm(args) { + this.id = BUI.id(); + var _this = this; + + this.width = 600; + this.height = 200; + this.showTitle = true; + this.container = {}; + if (args != null) { + if (args.showTitle != null) { + this.showTitle = args.showTitle; + } + if (args.width != null) { + this.width = args.width; + } + if (args.height != null) { + this.height = args.height; + } + } + + this.containerTypeComboBox = new ContainerTypeComboBox({extraOptions : [{"type":"STOCK SOLUTION"},{"type":"OTHER", "capacity":1}]}); + this.stockSolutionsGrid = new StockSolutionsGrid({width : this.width*0.95}); + + this.containerTypeComboBox.onSelected.attach(function (sender,selection){ + _this.container = {}; + if (selection.type == "STOCK SOLUTION") { + _this.addStockSolutionsList(); + Ext.getCmp(_this.id + "-save-button").disable(); + } else { + if (_this.stockSolutionsGrid.panel){ + _this.panel.remove(_this.stockSolutionsGrid.panel); + } + Ext.getCmp(_this.id + "-save-button").enable(); + } + }); + + this.stockSolutionsGrid.onSelected.attach(function (sender, stockSolution) { + _this.container = stockSolution; + _this.container.containerType = "STOCK SOLUTION"; + Ext.getCmp(_this.id + "-save-button").enable(); + }); + + this.onSave = new Event(this); + this.onCancel = new Event(this); +} + +AddContainerForm.prototype.getPanel = function(dewar) { + this.panel = Ext.create('Ext.form.Panel', { + width : this.width - 10, + height : this.height, +// cls : 'border-grid', +// margin : 10, + padding : 10, + buttons : this.getButtons(), + items : [ { + xtype : 'container', + margin : "2 2 2 2", + collapsible : false, + defaultType : 'textfield', + layout : 'anchor', + items : [ { + xtype : 'container', + margin : '5 0 5 5', + layout : 'vbox', + items : [ { + xtype : 'textfield', + fieldLabel : 'Name', + name : 'code', + id : this.id + 'container_code', + labelWidth : 200, + width : 500 + } + ] + }, + this.containerTypeComboBox.getPanel() + ] + } ] + }); + return this.panel; +}; + +AddContainerForm.prototype.getButtons = function () { + var _this = this; + return [ { + text : 'Save', + id : this.id + "-save-button", + handler : function() { + _this.onSave.notify(_this.getContainer()); + } + }, { + text : 'Cancel', + handler : function() { + _this.onCancel.notify(); + } + } ] +} + +AddContainerForm.prototype.getContainer = function () { + this.container.code = Ext.getCmp(this.id + "container_code").getValue(); + this.container.containerType = this.containerTypeComboBox.getSelectedType(); + this.container.capacity = this.containerTypeComboBox.getSelectedCapacity(); + return this.container; +} + +AddContainerForm.prototype.addStockSolutionsList = function () { + var stockSolutions = _.filter(EXI.proposalManager.getStockSolutions(),{"boxId" : null}); + this.panel.insert(this.stockSolutionsGrid.getPanel()); + this.stockSolutionsGrid.load(stockSolutions); +} +/** + * @showTitle + * + * #onSaved + * #onAddPlates + * #onRemovePlates + **/ +function CaseForm(args) { + this.id = BUI.id(); + this.width = 600; + this.showTitle = true; + if (args != null) { + if (args.showTitle != null) { + this.showTitle = args.showTitle; + } + } + + this.onSaved = new Event(this); +} + +CaseForm.prototype.fillStores = function() { + var _this = this; + this.panel.setLoading("Loading Labcontacts from database"); + + var proposal = BUI.getProposal(); + proposal.onDataRetrieved.attach(function(sender, data) { + _this.labContactForSendingStore.loadData(data, false); + _this.labContactForReturnStore.loadData(data, false); + _this.panel.setLoading(false); + }); + proposal.getLabContactsByProposalId(); + +}; + +CaseForm.prototype.refresh = function(dewar) { + this.setDewar(dewar); +}; + +CaseForm.prototype.getDewar = function() { + this.dewar.code = Ext.getCmp(this.id + "dewar_code").getValue(); + this.dewar.comments = Ext.getCmp(this.id + "dewar_comments").getValue(); + this.dewar.transportValue = Ext.getCmp(this.id + "dewar_transportValue").getValue(); +// this.dewar.storageLocation = Ext.getCmp("dewar_storageLocation").getValue(); + this.dewar.storageLocation = this.storageLocationComboBox.getValue(); + //this.dewar.firstExperimentId = this.sessionsCombo.getValue(); + return this.dewar; +}; + +CaseForm.prototype.setDewar = function(dewar) { + this.dewar = dewar; + + if (this.dewar == null){ + this.dewar={}; + this.dewar["code"] = ""; + this.dewar["transportValue"] = ""; + this.dewar["storageLocation"] = ""; + this.dewar["comments"] = ""; + } + + Ext.getCmp(this.id + "dewar_code").setValue(this.dewar.code); + Ext.getCmp(this.id + "dewar_comments").setValue(this.dewar.comments); + Ext.getCmp(this.id + "dewar_transportValue").setValue(this.dewar.transportValue); +// Ext.getCmp("dewar_storageLocation").setValue(this.dewar.storageLocation); + this.storageLocationComboBox.setValue(this.dewar.storageLocation); + /*if (this.dewar.sessionVO != null) { + this.sessionsCombo.setValue(this.dewar.sessionVO.sessionId); + }*/ +}; + +/* +CaseForm.prototype.getSessionCombo = function() { + this.sessionsCombo = BIOSAXS_COMBOMANAGER.getComboSessions(EXI.proposalManager.getFutureSessions(), { + labelWidth : 200, + margin : '5 0 00 0', + width : 500 + }); + return this.sessionsCombo; +};*/ + +CaseForm.prototype.getStorageLocationCombo = function() { + this.storageLocationComboBox = BIOSAXS_COMBOMANAGER.getComboStorageTemperature(); + return this.storageLocationComboBox; +}; + +CaseForm.prototype.getPanel = function(dewar) { + this.panel = Ext.create('Ext.form.Panel', { + width : this.width - 10, +// cls : 'border-grid', +// margin : 10, + padding : 10, + height : 320, + items : [ { + xtype : 'container', + margin : "2 2 2 2", + collapsible : false, + defaultType : 'textfield', + layout : 'anchor', + items : [ { + xtype : 'container', + layout : 'vbox', + items : [ { + xtype : 'requiredtextfield', + fieldLabel : 'Name', + allowBlank : false, + name : 'code', + id : this.id + 'dewar_code', + labelWidth : 200, + width : 500 + } + ] + }, + this.getStorageLocationCombo(), + { + xtype : 'numberfield', + width : 500, + labelWidth : 200, + margin : '10 0 0 0', + fieldLabel : 'Transport Value', + id : this.id + 'dewar_transportValue' + }, + { + xtype : 'textareafield', + name : 'comments', + fieldLabel : 'Comments', + labelWidth : 200, + width : 500, + margin : '10 0 0 0', + height : 100, + id : this.id + 'dewar_comments' + } ] + } ] + }); + this.refresh(dewar); + return this.panel; +}; + +function ContainerSpreadSheet(args){ + this.id = BUI.id(); + SpreadSheet.call(this, args); + + this.renderCrystalFormColumn = false; + + if (args != null) { + if (args.renderCrystalFormColumn != null) { + this.renderCrystalFormColumn = args.renderCrystalFormColumn; + } + } + + this.crystalInfoToIdMap = {}; + + this.crystalFormIndex = -1; + // this.unitCellIndex = -1; + this.spaceGroupIndex = -1; + + this.onModified = new Event(this); + +} + +ContainerSpreadSheet.prototype.getPanel = SpreadSheet.prototype.getPanel; +ContainerSpreadSheet.prototype.setLoading = SpreadSheet.prototype.setLoading; +ContainerSpreadSheet.prototype.getAcronyms = SpreadSheet.prototype.getAcronyms; +ContainerSpreadSheet.prototype.getHeaderWidth = SpreadSheet.prototype.getHeaderWidth; +ContainerSpreadSheet.prototype.getHeaderId = SpreadSheet.prototype.getHeaderId; +ContainerSpreadSheet.prototype.getHeaderText = SpreadSheet.prototype.getHeaderText; +ContainerSpreadSheet.prototype.getColumns = SpreadSheet.prototype.getColumns; +ContainerSpreadSheet.prototype.parseTableData = SpreadSheet.prototype.parseTableData; +ContainerSpreadSheet.prototype.getData = SpreadSheet.prototype.getData; +ContainerSpreadSheet.prototype.loadData = SpreadSheet.prototype.loadData; +ContainerSpreadSheet.prototype.setDataAtCell = SpreadSheet.prototype.setDataAtCell; +ContainerSpreadSheet.prototype.getColumnIndex = SpreadSheet.prototype.getColumnIndex; +ContainerSpreadSheet.prototype.disableAll = SpreadSheet.prototype.disableAll; +ContainerSpreadSheet.prototype.setContainerType = SpreadSheet.prototype.setContainerType; +ContainerSpreadSheet.prototype.updateNumberOfRows = SpreadSheet.prototype.updateNumberOfRows; +ContainerSpreadSheet.prototype.emptyRow = SpreadSheet.prototype.emptyRow; + +ContainerSpreadSheet.prototype.load = function(puck){ + var _this = this; + this.puck = puck; + var container = document.getElementById(this.id + '_samples'); + this.crystalFormIndex = this.getColumnIndex('Crystal Form'); + // this.unitCellIndex = this.getColumnIndex('Unit cell'); + this.spaceGroupIndex = this.getColumnIndex("Space Group"); + var data = this.getSamplesData(puck); + + function firstRowRenderer(instance, td, row, col, prop, value, cellProperties) { + Handsontable.renderers.TextRenderer.apply(this, arguments); + td.style.fontWeight = 'bold'; + td.style.color = 'green'; + td.style.fontSize = '9px'; + td.style.background = '#CEC'; + } + + function ValueRenderer(instance, td, row, col, prop, value, cellProperties) { + Handsontable.renderers.TextRenderer.apply(this, arguments); + if (!instance.getDataAtRow(row)[1]){ + td.style.background = '#EEE'; + return; + } + + if ((col == 2)){ + if (!value || value == '') { + td.className = 'custom-row-text-required'; + } + } + if (/*(col == _this.unitCellIndex) || */col == _this.spaceGroupIndex) { + td.style.background = '#EEE'; + } + } + + + // maps function to lookup string + Handsontable.renderers.registerRenderer('ValueRenderer', ValueRenderer); + this.spreadSheet = new Handsontable(container, { + afterCreateRow: function (index, numberOfRows) { + data.splice(index, numberOfRows); + }, + beforeChange: function (changes, source) { + lastChange = changes; + }, + afterChange: function (changes, source) { + $(".htInvalid").removeClass("htInvalid"); + $(".edit-crystal-button").click(function(sender){ + var row = sender.target.id.split("-")[2]; + var crystal = _this.parseCrystalFormColumn(_this.getData()[row][_this.crystalFormIndex],row); + _this.showEditForm(crystal,row); + }); + if (source == "edit") { + if (changes) { + for (var i = 0 ; i < changes.length ; i++) { + var change = changes[i]; + if (change[2] != change[3]) { + _this.manageChange(change, source); + } + } + } + } else if (source == "autofill") { + if (changes){ + /**Get the direction of the autofill and manage the change following that direction*/ + var direction = Math.sign(changes[0][0] - _this.spreadSheet.getSelected()[0]); + if (direction == 1){ + for (var i = 0 ; i < changes.length ; i++) { + var change = changes[i]; + if (change[2] != change[3]) { + _this.manageChange(change, source, direction); + } + } + } else { + for (var i = changes.length - 1 ; i >= 0 ; i--) { + var change = changes[i]; + if (change[2] != change[3]) { + _this.manageChange(change, source, direction); + } + } + } + } + } + }, + data: data, + height : this.height, + width : this.width, + manualColumnResize: true, + colWidths: this.getHeaderWidth(), + colHeaders: this.getHeaderText(), + stretchH: 'last', + columns: this.getColumns(), + }); +}; + +/** +* Returns an array of arrays for each sample in the given container up to the container's capacity ordered according to the grid +* +* @method getSamplesData +* @param {Object} puck The container which's samples are parsed +*/ +ContainerSpreadSheet.prototype.getSamplesData = function(puck) { + var data = []; + var samples = puck.sampleVOs; + /** Sorting samples by location * */ + samples.sort(function(a,b){return Number(a.location) - Number(b.location);}); + function getSampleByLocation(samples, location){ + for (var i = 0; i < samples.length; i++) { + if (samples[i].location == Number(location)){ + return samples[i]; + } + } + } + + function getValue(value){ + if (!value){return "";} + return value; + } + + for (var i = 0; i < puck.capacity; i++) { + var sample = getSampleByLocation(samples, i + 1); + if (sample!= null){ + var crystal = sample.crystalVO; + var protein = crystal.proteinVO; + var diffraction = sample.diffractionPlanVO; + if (diffraction == null){ + diffraction = {}; + } + data.push( + [ + // crystal.crystalId, + (i+1), + protein.acronym, sample.name, this.getCrystalInfo(crystal), diffraction.experimentKind, sample.code, getValue(diffraction["observedResolution"]), diffraction.requiredResolution, diffraction.preferredBeamDiameter, + diffraction.numberOfPositions, diffraction.radiationSensitivity, diffraction.requiredMultiplicity, diffraction.requiredCompleteness, + // this.getUnitCellInfo(crystal), + crystal.spaceGroup, sample.smiles, sample.comments + ] + ); + } + else{ + data.push([(i+1)]); + } + } + return data; +}; + +ContainerSpreadSheet.prototype.getHeader = function() { + var _this = this; + var header = []; + var disabledRenderer = function(instance, td, row, col, prop, value, cellProperties){ + if (value != undefined){ + td.innerHTML = value; + } + td.style.background = '#DDD'; + } + var editCrystalFormRenderer = function(instance, td, row, col, prop, value, cellProperties){ + if (value != undefined){ + td.innerHTML = value; + } + } + header = [ + // { text :'', id :'crystalId', column : {width : 100}}, + { text : '#', id: 'position', column : {width : 20}}, + { text :'Protein
Acronym', id :'Protein Acronym', column : { + width : 80, + type: 'dropdown', + source: this.getAcronyms() + } + }, + { text :'Sample
Name', id :'Sample Name', column : {width : 120}}, + { text :'Crystal
Form', id : 'Crystal Form',column : { + width : 250, + type: 'dropdown', + source: function(query, process) { + var colIndex = _this.getColumnIndex("Protein Acronym"); + var protein = EXI.proposalManager.getProteinByAcronym(this.instance.getDataAtCell(this.row,colIndex)); + if (protein.length > 0){ + process(_this.getCrystalInfoByProtein(protein[0])); + } else { + process([]); + } + } + } + }, + { text :'Exp.
Type', id : 'Experiment Type', column : { + width : 80, + type: 'dropdown', + source: [ "Default", "MXPressE", "MXPressO", "MXPressI", "MXPressE_SAD", "MXScore", "MXPressM" ] + } + }, + { text :'Pin
BarCode', id : 'Pin BarCode', column : {width : 60}}, + { text :'Pre-observed
resolution', id : 'Pre-observed resolution', column : {width : 80}}, + { text :'Needed
resolution', id :'Needed resolution', column : {width : 60}}, + { text :'Pref.
Diameter', id :'Pref. Diameter',column : {width : 60}}, + { text :'Number of
positions', id :'Number Of positions', column : {width : 80}}, + { text :'Radiation
Sensitivity', id :'Radiation Sensitivity', column : {width : 80}}, + { text :'Required
multiplicity', id :'Required multiplicity', column : {width : 60}}, + { text :'Required
Completeness', id :'Required Completeness', column : {width : 80}}, + // { text :'Unit Cell', id :'Unit cell', column : {width : 150, renderer: disabledRenderer, editor : false, readOnly: true}}, + { text :'Space
Group', id :'Space Group', column : {width : 55, renderer: disabledRenderer, editor : false, readOnly: true}}, + { text :'Smiles', id :'Smiles', column : {width : 140}}, + { text :'Comments', id :'Comments', column : {width : 200}} + ]; + + if (this.renderCrystalFormColumn) { + header.push({ text :'Edit Crystal Form', id :'editCrystalForm', column : {width : 200, renderer: editCrystalFormRenderer, editor : false, readOnly: true}}); + } + + return header; +}; + + +/** +* Returns a puck object with the corresponding samples from the grid +* +* @method getPuck +*/ +ContainerSpreadSheet.prototype.getPuck = function() { + var myPuck = JSON.parse(JSON.stringify(this.puck)); + var rows = this.parseTableData(); + + //myPuck.sampleVOs = []; + var aux = []; + + function filterByLocation(samples){ + return _.filter(samples, function(b){return b.location == rows[i].location;} ); + } + for (var i = 0; i < rows.length; i++) { + var sample = {}; + var sampleByLocation = filterByLocation(myPuck.sampleVOs); + if (sampleByLocation.length > 0){ + /** new sample */ + sample = sampleByLocation[0]; + } + + sample["name"] = rows[i]["Sample Name"]; + sample["Dewar_barCode"] = rows[i]["Pin BarCode"]; + sample["smiles"] = rows[i]["Smiles"]; + sample["location"]= rows[i]["location"]; + sample["comments"] = rows[i]["Comments"]; + var proteins = []; + if (sample["crystalVO"] == null){ + sample["crystalVO"] = {}; + proteins = EXI.proposalManager.getProteinByAcronym(rows[i]["Protein Acronym"]); + if (proteins != null){ + sample["crystalVO"]["proteinVO"] = proteins[0]; + } + } + else{ + proteins = EXI.proposalManager.getProteinByAcronym(rows[i]["Protein Acronym"]); + if (proteins != null){ + sample["crystalVO"]["proteinVO"] = proteins[0]; + } + } + var crystal = this.parseCrystalFormColumn(rows[i]["Crystal Form"],i); + sample["crystalVO"]["spaceGroup"] = (crystal.spaceGroup) ? crystal.spaceGroup : ""; + sample["crystalVO"]["cellA"] = crystal.cellA; + sample["crystalVO"]["cellB"] = crystal.cellB; + sample["crystalVO"]["cellC"] = crystal.cellC; + sample["crystalVO"]["cellAlpha"] = crystal.cellAlpha; + sample["crystalVO"]["cellBeta"] = crystal.cellBeta; + sample["crystalVO"]["cellGamma"] = crystal.cellGamma; + + sample["diffractionPlanVO"] = {}; + sample["diffractionPlanVO"]["radiationSensitivity"]= Number(rows[i]["Radiation Sensitivity"]); + sample["diffractionPlanVO"]["requiredCompleteness"]= Number(rows[i]["Required Completeness"]); + sample["diffractionPlanVO"]["requiredMultiplicity"]= Number(rows[i]["Required multiplicity"]); + sample["diffractionPlanVO"]["requiredResolution"]= Number(rows[i]["Needed resolution"]); + sample["diffractionPlanVO"]["observedResolution"]= Number(rows[i]["Pre-observed resolution"]); + sample["diffractionPlanVO"]["preferredBeamDiameter"]= Number(rows[i]["Pref. Diameter"]); + sample["diffractionPlanVO"]["numberOfPositions"]= Number(rows[i]["Number Of positions"]); + sample["diffractionPlanVO"]["experimentKind"]= rows[i]["Experiment Type"]; + aux.push(sample); + + } + myPuck.sampleVOs = aux; + + return myPuck; +}; + +ContainerSpreadSheet.prototype.setRenderCrystalFormColumn = function(bool) { + this.renderCrystalFormColumn = bool; +}; + +/** +* Returns an object containing the crystal information given the value at the crystal form column +* +* @method parseCrystalFormColumn +* @param {String} dataAtCrystalFormColumn The string containing the information with the space group and the cell values +* @param {Integer} row The corresponding row +*/ +ContainerSpreadSheet.prototype.parseCrystalFormColumn = function (dataAtCrystalFormColumn,row) { + var parsed = { + spaceGroup : null, + cellA : null, + cellB : null, + cellC : null, + cellAlpha : null, + cellBeta : null, + cellGamma : null + }; + if (dataAtCrystalFormColumn != "" && dataAtCrystalFormColumn != null){ + var proteins = EXI.proposalManager.getProteinByAcronym(this.spreadSheet.getDataAtCell(row,this.getColumnIndex("Protein Acronym"))); + if (proteins && proteins.length > 0) { + parsed.proteinVO = proteins[0]; + } + if (dataAtCrystalFormColumn == "NEW") { + parsed.spaceGroup = "NEW"; + parsed.crystalId = ""; + } else { + if (this.crystalInfoToIdMap[dataAtCrystalFormColumn]){ + parsed.crystalId = this.crystalInfoToIdMap[dataAtCrystalFormColumn]; + } else { + this.getCrystalInfoByProtein(proteins[0]); + parsed.crystalId = this.crystalInfoToIdMap[dataAtCrystalFormColumn]; + } + var splitted = dataAtCrystalFormColumn.split("-"); + parsed.spaceGroup = splitted[0].trim(); + if (splitted.length > 1){ + var cells = (splitted[1] + "-" + splitted[2]).trim().replace(/[{()}]/g, '').replace(/\s+/g,"");; + parsed.cellA = (cells.split("-")[0].split(",")[0] == "null")? null : cells.split("-")[0].split(",")[0]; + parsed.cellB = (cells.split("-")[0].split(",")[1] == "null")? null : cells.split("-")[0].split(",")[1]; + parsed.cellC = (cells.split("-")[0].split(",")[1] == "null")? null : cells.split("-")[0].split(",")[2]; + parsed.cellAlpha = (cells.split("-")[1].split(",")[0] == "null")? null : cells.split("-")[1].split(",")[0]; + parsed.cellBeta = (cells.split("-")[1].split(",")[1] == "null")? null : cells.split("-")[1].split(",")[1]; + parsed.cellGamma = (cells.split("-")[1].split(",")[2] == "null")? null : cells.split("-")[1].split(",")[2]; + } else { + parsed.cellA = 0; + parsed.cellB = 0; + parsed.cellC = 0; + parsed.cellAlpha = 0; + parsed.cellBeta = 0; + parsed.cellGamma = 0; + } + } + } + return parsed; +}; + +/** +* Returns an string of the form [spaceGroup - (cellA : cellB : cellC | cellAlpha : cellBeta : cellGamma)] +* +* @method getCrystalInfo +* @param {Object} crystal The crystal used to extract the values +*/ +ContainerSpreadSheet.prototype.getCrystalInfo = function (crystal) { + try { + if (crystal.cellA == null) { + return crystal.spaceGroup + " - undefined"; + } else if (crystal.cellA == 0 && crystal.cellB == 0 && crystal.cellC == 0 && crystal.cellAlpha == 0 && crystal.cellBeta == 0 && crystal.cellGamma == 0 ){ + return crystal.spaceGroup + } + return crystal.spaceGroup + " - (" + crystal.cellA + " , " + crystal.cellB + " , " + crystal.cellC + " - " + crystal.cellAlpha + " , " + crystal.cellBeta + " , " + crystal.cellGamma + ")"; + } catch (e) { + return ""; + } +}; + +ContainerSpreadSheet.prototype.getUnitCellInfo = function (crystal) { + var html = ""; + dust.render("shipping.edit.form.unit.cell.template", crystal, function(err,out){ + html = out; + }); + return html; +}; + +ContainerSpreadSheet.prototype.showEditForm = function (crystal, row) { + var _this = this; + + /** Check if other samples share this crystal form */ + + var editCrystalForm = new EditCrystalFormView(); + + editCrystalForm.onSaved.attach(function (sender, crystal) { + var rows = _this.parseTableData(); + _this.updateCrystalGroup(row,crystal); + for (var i = 0; i < rows.length; i++) { + if (rows[i].location-1 != row){ + if (_this.crystalInfoToIdMap[rows[i]["Crystal Form"]] == crystal.crystalId){ + _this.updateCrystalGroup(rows[i].location-1,crystal); + } + } + } + window.close(); + }); + + var window = Ext.create('Ext.window.Window', { + title : 'Crystal Form', + height : 460, + width : 600, + modal : true, + closable : false, + layout : 'fit', + items : [ editCrystalForm.getPanel() ], + buttons : [ { + text : 'Save', + handler : function() { + editCrystalForm.save(); + } + }, { + text : 'Cancel', + handler : function() { + if (crystal.spaceGroup == "NEW"){ + _this.resetCrystalGroup(row); + } + window.close(); + } + } ] + }).show(); + + editCrystalForm.load(crystal); +}; + +ContainerSpreadSheet.prototype.addEditCrystalFormButton = function (row, column) { + if (!column) { + column = this.getColumnIndex("editCrystalForm"); + } + var button = " Edit Crystal Form"; + this.setDataAtCell(row,column,button); +}; + +ContainerSpreadSheet.prototype.updateCrystalGroup = function (row, crystal) { + if (crystal) { + this.setDataAtCell(row,this.crystalFormIndex,this.getCrystalInfo(crystal)); + // this.setDataAtCell(row,this.unitCellIndex,this.getUnitCellInfo(crystal)); + this.setDataAtCell(row,this.spaceGroupIndex,crystal.spaceGroup); + // this.setDataAtCell(row,0,crystal.crystalId); //crystal Id column + this.addEditCrystalFormButton(row); + } else { + this.resetCrystalGroup(row); + } +}; + +ContainerSpreadSheet.prototype.resetCrystalGroup = function (row) { + this.setDataAtCell(row,this.crystalFormIndex,""); + // this.setDataAtCell(row,this.unitCellIndex,""); + this.setDataAtCell(row,this.spaceGroupIndex,""); + // this.setDataAtCell(row,0,""); + this.setDataAtCell(row,this.getColumnIndex("editCrystalForm"),""); +}; + +ContainerSpreadSheet.prototype.disableAll = function () { + this.spreadSheet.updateSettings({ + readOnly: true + }); +}; + +/** +* Method executed when a change is made on the spreadSheet. It manages the process when the crystal form or the protein acronym are changed +* +* @method manageChange +* @param {Array} change The change made to the spreadSheet as an array of the form [row, column, prevValue, newValue] +* @param {String} source The kind of change. Can be "edit" or "autofill" +* @param {Integer} direction In case of the source being autofill, this parameter indicates the direction of it +*/ +ContainerSpreadSheet.prototype.manageChange = function (change, source, direction){ + switch (change[1]) { //Column Index + case this.crystalFormIndex : { + var parsed = this.parseCrystalFormColumn(change[3],change[0]); // parseCrystalFormColumn(dataAtCrystalFormColumn,row) + if (parsed.spaceGroup != undefined){ + if (parsed.spaceGroup == "NEW"){ + this.showEditForm(parsed, change[0]); + } else { + if (this.isCrystalFormAvailable(parsed,this.getData()[change[0]][this.getColumnIndex("Protein Acronym")])){ + this.updateCrystalGroup(change[0],parsed); + } else { + this.resetCrystalGroup(change[0]); + } + } + } else { + this.resetCrystalGroup(change[0]); + } + break; + } + case this.getColumnIndex("Protein Acronym") : { + if (change[3] == ""){ + this.emptyRow(change[0]); + } else { + /**Manage the sample name column */ + if (change[0] > 0){ + var colIdx = this.getColumnIndex("Sample Name"); + var currentName = this.spreadSheet.getDataAtCell(change[0],colIdx); + if (currentName == undefined || currentName == "") { + var nameSampleAbove = this.spreadSheet.getDataAtCell(change[0] - 1, colIdx); + if (nameSampleAbove != null && nameSampleAbove != "") { + var autoincremented = this.autoIncrement(nameSampleAbove, 1); + if (autoincremented != "") { + this.setDataAtCell(change[0],colIdx,autoincremented); + } + } + } + } + /**Manage the crystal form column */ + var parsed = this.parseCrystalFormColumn(this.getData()[change[0]][this.crystalFormIndex],change[0]); // parseCrystalFormColumn(dataAtCrystalFormColumn,row) + if (!this.isCrystalFormAvailable(parsed,change[3])){ + this.resetCrystalGroup(change[0]); + var proteins = EXI.proposalManager.getProteinByAcronym(change[3]); + if (proteins) { + var crystalsByProteinId = _.filter(EXI.proposalManager.getCrystals(),function(o) {return o.proteinVO.proteinId == proteins[0].proteinId;}); + if (crystalsByProteinId && crystalsByProteinId.length > 0){ + var crystal = _.maxBy(crystalsByProteinId,"crystalId"); + this.updateCrystalGroup(change[0],crystal); + } + } + } + } + break; + } + case this.getColumnIndex("Sample Name") : { + if (source == "autofill" && change[3] != ""){ + var autoincremented = this.autoIncrement(this.spreadSheet.getDataAtCell(change[0] - direction, change[1]), direction); + if (autoincremented != "") { + this.setDataAtCell(change[0],change[1],autoincremented); + } + } + break; + } + } + if (change[1] != this.getColumnIndex("editCrystalForm")){ + this.onModified.notify(change); + } + $(".htInvalid").removeClass("htInvalid"); +}; + +/** +* Returns an autoincremented string +* +* @method autoIncrement +* @param {String} value The string to be incremented +* @param {Integer} direction The direction on which the string is going to be incremented +*/ +ContainerSpreadSheet.prototype.autoIncrement = function (value, direction) { + var autoincremented = ""; + var regex = /(\d+)/g; + var numbers = value.match(regex); + if (numbers) { + var lastNumber = numbers[numbers.length - 1]; + /**Check if there are any other characters after the last number */ + if (value.lastIndexOf(lastNumber) == value.length - lastNumber.length) { + autoincremented = value.substring(0,value.length - lastNumber.length) + (parseInt(lastNumber) + direction); + } + } + return autoincremented; +} + +/** +* Returns true if the parseCrystalForm is available for the given proteinAcronym +* +* @method isCrystalFormAvailable +* @param {Object} parsedCrystalForm A parsed crystal form object +* @param {String} proteinAcronym The proteinAcronym +*/ +ContainerSpreadSheet.prototype.isCrystalFormAvailable = function (parsedCrystalForm, proteinAcronym) { + var crystalsBySpaceGroupAndAcronym = _.filter(_.filter(EXI.proposalManager.getCrystals(),{"spaceGroup":parsedCrystalForm.spaceGroup}),function(o){return o.proteinVO.acronym == proteinAcronym}) + if (crystalsBySpaceGroupAndAcronym.length > 0) { + for (var i = 0 ; i < crystalsBySpaceGroupAndAcronym.length ; i++) { + var crystal = crystalsBySpaceGroupAndAcronym[i]; + if (crystal.cellA == parsedCrystalForm.cellA && crystal.cellB == parsedCrystalForm.cellB && crystal.cellC == parsedCrystalForm.cellC && crystal.cellAlpha == parsedCrystalForm.cellAlpha && crystal.cellBeta == parsedCrystalForm.cellBeta && crystal.cellGamma == parsedCrystalForm.cellGamma) { + return true; + } + } + } + return false; +}; + +/** +* Loads the crystal info to ud map and returns an array of cystal info given a protein +* +* @method getCrystalInfoByProtein +* @param {Object} protein The protein the crystals must be linked to +* @return {Array} Returns an array of strings with the crystal info to be loaded on the Crystal Form column +*/ +ContainerSpreadSheet.prototype.getCrystalInfoByProtein = function (protein) { + var src = []; + var crystalsByProteinId = _.filter(EXI.proposalManager.getCrystals(),function(o) {return o.proteinVO.proteinId == protein.proteinId;}); + if (crystalsByProteinId) { + for (var i = 0 ; i < crystalsByProteinId.length ; i++){ + var crystalInfo = this.getCrystalInfo(crystalsByProteinId[i]); + this.crystalInfoToIdMap[crystalInfo] = crystalsByProteinId[i].crystalId; + src.push(crystalInfo); + } + } + return _.union(src,["NEW"]); +}; +function CrystalFormView (args) { + this.id = BUI.id(); + this.padding = 20; + this.containerId = 0; + + if (args != null) { + if (args.padding != null) { + this.padding = args.padding; + } + if (args.containerId != null) { + this.containerId = args.containerId; + } + } + + this.uploaderWidget = new UploaderWidget(); +} + + + +CrystalFormView.prototype.getPanel = function(){ + var _this = this; + + this.panel = Ext.create('Ext.panel.Panel', { + buttons : this.getToolBar(), + items : [ + { + html : '
', + }, + this.uploaderWidget.getForm(), + { + xtype : 'button', + margin: '0 0 0 2', + text: 'Test', + handler: function() { + window.open('#/shipping/edv','_newtab'); + // var edv = new ElectronDensityViewer(); + // var window = Ext.create('Ext.window.Window', { + // title: 'Elecyton Density Viewer', + // height: Ext.getBody().getHeight() - 100, + // width: Ext.getBody().getWidth() - 100, + // modal : true, + // resizable : true, + // layout: 'fit', + // items: edv.getPanel() + // }).show(); + } + } + ] + }); + + return this.panel; +}; + +CrystalFormView.prototype.getToolBar = function() { + var _this = this; + return [ + { + text: 'Return to shipment', + width : 200, + height : 30, + handler : function () { + location.href = "#/shipping/" + _this.shippingId + "/main"; + } + } + ]; +}; + +CrystalFormView.prototype.load = function(containerId, sampleId, shippingId){ + var _this = this; + this.containerId = containerId; + this.sampleId = sampleId; + this.shippingId = shippingId; + this.panel.setTitle("Shipment"); + + var onSuccess = function (sender, puck) { + if (puck){ + var filtered = _.filter(puck.sampleVOs,function (o) {return o.blSampleId == _this.sampleId}); + if (filtered.length > 0) { + _this.sample = filtered[0]; + + var html = ""; + dust.render("crystal.form.template", _this.sample, function(err, out) { + html = html + out; + }); + + $('#' + _this.id).hide().html(html).fadeIn('fast'); + $('#' + _this.id).css("padding",_this.padding); + _this.panel.doLayout(); + } + } + } + + EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.getContainerById(this.containerId,this.containerId,this.containerId); +}; +function EditCrystalFormView (args) { + this.id = BUI.id(); + + this.width = 600; + this.height = 500; + this.showTitle = true; + if (args != null) { + if (args.showTitle != null) { + this.showTitle = args.showTitle; + } + if (args.width != null) { + this.width = args.width; + } + if (args.height != null) { + this.height = args.height; + } } - return text; + + this.onSaved = new Event(this); }; +EditCrystalFormView.prototype.getPanel = function() { -ContainerSpreadSheet.prototype.getColumns = function() { - var columns = []; - for (var i = 0; i < this.getHeader().length; i++) { - columns.push(this.getHeader()[i].column); + this.panel = Ext.create("Ext.panel.Panel",{ + items : [{ + html : '
', + autoScroll : false, + padding : this.padding, + width : this.width, + }] + }); + + return this.panel; +}; + +EditCrystalFormView.prototype.load = function(crystal) { + var _this = this; + this.crystal = crystal; + if (crystal.crystalId != null){ + if (crystal.crystalId != "") { + var onSuccess = function (sender, crystalById) { + _this.crystal = crystalById; + _this.render(); + } + EXI.getDataAdapter({onSuccess:onSuccess}).mx.crystal.getCrystalById(crystal.crystalId); + } else { + this.render(); + } + } else { + $('#' + this.id).hide().html("

There was an error loading the crystal

").fadeIn('fast'); + this.panel.doLayout(); } - return columns; +} + +EditCrystalFormView.prototype.render = function () { + var _this = this; + this.crystal.spaceGroups = ExtISPyB.spaceGroups; + this.crystal.id = this.id; + var html = ""; + + dust.render("crystal.edit.form.template", this.crystal, function(err, out){ + html = out; + }); + + $('#' + this.id).hide().html(html).fadeIn('fast'); + this.panel.doLayout(); + + $('#' + this.id + "-space-group").on('change', function() { + _this.setCellValuesBySpaceGroup(this.value); + }); + + this.setCellValuesBySpaceGroup($('#' + this.id + "-space-group").val()); + }; +EditCrystalFormView.prototype.save = function () { + var _this = this; + var crystal = { + spaceGroup : $("#" + this.id + "-space-group").val(), + cellA : $("#" + this.id + "-cellA").val(), + cellB : $("#" + this.id + "-cellB").val(), + cellC : $("#" + this.id + "-cellC").val(), + cellAlpha : $("#" + this.id + "-cellAlpha").val(), + cellBeta : $("#" + this.id + "-cellBeta").val(), + cellGamma : $("#" + this.id + "-cellGamma").val(), + name : $("#" + this.id + "-name").val(), + comments : $("#" + this.id + "-comments").val() + }; -ContainerSpreadSheet.prototype.getPuck = function() { - var myPuck = JSON.parse(JSON.stringify(this.puck)); - var rows = this.parseTableData(); - - //myPuck.sampleVOs = []; - var aux = []; - - function filterByLocation(samples){ - return _.filter(samples, function(b){return b.location == rows[i].location;} ); - } - for (var i = 0; i < rows.length; i++) { - - var sample = {}; - var sampleByLocation = filterByLocation(myPuck.sampleVOs); - if (sampleByLocation.length > 0){ - /** new sample */ - sample = sampleByLocation[0]; - } - - sample["name"] = rows[i]["Sample Name"]; - sample["smiles"] = rows[i]["Smiles"]; - sample["location"]= rows[i]["location"]; - sample["comments"] = rows[i]["Comments"]; - var proteins = []; - if (sample["crystalVO"] == null){ - sample["crystalVO"] = {}; - proteins = EXI.proposalManager.getProteinByAcronym(rows[i]["Protein Acronym"]); - if (proteins != null){ - sample["crystalVO"]["proteinVO"] = proteins[0]; - } + if (crystal.cellA != "" && crystal.cellB != "" && crystal.cellC != "") { + this.panel.setLoading(); + var onSaved = function (sender, newCrystal) { + EXI.proposalManager.get(true); + _this.onSaved.notify(newCrystal); + _this.panel.setLoading(false); } - else{ - proteins = EXI.proposalManager.getProteinByAcronym(rows[i]["Protein Acronym"]); - if (proteins != null){ - sample["crystalVO"]["proteinVO"] = proteins[0]; - } - } - sample["crystalVO"]["spaceGroup"] = rows[i]["Space Group"]; - sample["crystalVO"]["cellA"] = Number(rows[i]["Unit cell A"]); - sample["crystalVO"]["cellB"] = Number(rows[i]["Unit cell B"]); - sample["crystalVO"]["cellC"] = Number(rows[i]["Unit cell C"]); - sample["crystalVO"]["cellAlpha"] = Number(rows[i]["Unit cell Alpha"]); - sample["crystalVO"]["cellBeta"] = Number(rows[i]["Unit cell Beta"]); - sample["crystalVO"]["cellGamma"] = Number(rows[i]["Unit cell Gamma"]); - - sample["diffractionPlanVO"] = {}; - sample["diffractionPlanVO"]["radiationSensitivity"]= Number(rows[i]["Radiation Sensitivity"]); - sample["diffractionPlanVO"]["requiredCompleteness"]= Number(rows[i]["Required Completeness"]); - sample["diffractionPlanVO"]["requiredMultiplicity"]= Number(rows[i]["Required multiplicity"]); - sample["diffractionPlanVO"]["requiredResolution"]= Number(rows[i]["Needed resolution"]); - sample["diffractionPlanVO"]["observedResolution"]= Number(rows[i]["Pre-observed resolution"]); - sample["diffractionPlanVO"]["preferredBeamDiameter"]= Number(rows[i]["Pref. Diameter"]); - sample["diffractionPlanVO"]["numberOfPositions"]= Number(rows[i]["Number Of positions"]); - sample["diffractionPlanVO"]["experimentKind"]= rows[i]["Experiment Type"]; - aux.push(sample); + EXI.getDataAdapter({onSuccess : onSaved}).mx.crystal.save(this.crystal.proteinVO.proteinId, this.crystal.crystalId, + crystal.name, crystal.spaceGroup, crystal.cellA, crystal.cellB, crystal.cellC, + crystal.cellAlpha, crystal.cellBeta, crystal.cellGamma, crystal.comments); + } else { + $("#" + this.id + "-cellsABC").notify("The values A, B and C must be filled",{className:"error"}); } - myPuck.sampleVOs = aux; - - return myPuck; }; - -ContainerSpreadSheet.prototype.parseTableData = function() { - var parsed = []; - var data = this.spreadSheet.getData(); - for (var j = 0; j < data.length; j++) { - var row = {}; - row["location"] = j + 1; - for (var k = 0; k < data[j].length; k++) { - var key = this.getHeaderId()[k]; - var value = data[j][k]; - row[key] = value; - } - if (row["Protein Acronym"]){ - if (row["Protein Acronym"].length > 0){ - parsed.push(row); - } +EditCrystalFormView.prototype.setCellValuesBySpaceGroup = function (spaceGroup) { + var _this = this; + var onSuccess = function (sender, geometryClass) { + var alpha = ""; + var beta = ""; + var gamma = ""; + if (geometryClass && geometryClass.length > 0 && geometryClass[0].geometryClassnameVO){ + switch (geometryClass[0].geometryClassnameVO.geometryClassname){ + case "Primitive triclinic": + break; + case "Primitive monoclinic": + alpha = 90; + gamma = 90; + break; + case "Centred monoclinic": + alpha = 90; + gamma = 90; + break; + case "Primitive orthohombic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "C-centred orthohombic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "I-centred orthohombic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "F-centred orthohombic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "Primitive tetragonal": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "I-centred tetragonal": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "Primitive trigonal": + alpha = 90; + beta = 90; + gamma = 120; + break; + case "Primitive hexagonal": + alpha = 90; + beta = 90; + gamma = 120; + break; + case "Rhombohedral": + alpha = 90; + beta = 90; + gamma = 120; + break; + case "Primitive cubic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "I-centred cubic": + alpha = 90; + beta = 90; + gamma = 90; + break; + case "F-centred cubic": + alpha = 90; + beta = 90; + gamma = 90; + break; } - } - - /** Curated contains the whole-data rows * */ - var curated = []; - for (var i = 0; i < parsed.length; i++) { - if (parsed[i]["Protein Acronym"] != null){ - curated.push(parsed[i]); + _this.manageCellValueUpdate("#" + _this.id + "-cellAlpha", alpha); + _this.manageCellValueUpdate("#" + _this.id + "-cellBeta", beta); + _this.manageCellValueUpdate("#" + _this.id + "-cellGamma", gamma); } } - - return curated; -}; + EXI.getDataAdapter({onSuccess : onSuccess}).mx.crystal.getGeometryclassBySpacegroup(spaceGroup); +} -ContainerSpreadSheet.prototype.load = function(puck){ - this.puck = puck; - var container = document.getElementById(this.id + '_samples'); +EditCrystalFormView.prototype.manageCellValueUpdate = function (id, value) { + if (value != "") { + $(id).prop('disabled', true); + $(id).val(value); + } else { + $(id).prop('disabled', false); + } +} +function GenericContainerSpreadSheet(args){ + this.id = BUI.id(); + SpreadSheet.call(this, args); +} + +GenericContainerSpreadSheet.prototype.getPanel = SpreadSheet.prototype.getPanel; +GenericContainerSpreadSheet.prototype.setLoading = SpreadSheet.prototype.setLoading; +GenericContainerSpreadSheet.prototype.getAcronyms = SpreadSheet.prototype.getAcronyms; +GenericContainerSpreadSheet.prototype.getHeaderWidth = SpreadSheet.prototype.getHeaderWidth; +GenericContainerSpreadSheet.prototype.getHeaderId = SpreadSheet.prototype.getHeaderId; +GenericContainerSpreadSheet.prototype.getHeaderText = SpreadSheet.prototype.getHeaderText; +GenericContainerSpreadSheet.prototype.getColumns = SpreadSheet.prototype.getColumns; +GenericContainerSpreadSheet.prototype.parseTableData = SpreadSheet.prototype.parseTableData; +GenericContainerSpreadSheet.prototype.getData = SpreadSheet.prototype.getData; +GenericContainerSpreadSheet.prototype.loadData = SpreadSheet.prototype.loadData; +GenericContainerSpreadSheet.prototype.setDataAtCell = SpreadSheet.prototype.setDataAtCell; +GenericContainerSpreadSheet.prototype.getColumnIndex = SpreadSheet.prototype.getColumnIndex; +GenericContainerSpreadSheet.prototype.disableAll = SpreadSheet.prototype.disableAll; +GenericContainerSpreadSheet.prototype.setContainerType = SpreadSheet.prototype.setContainerType; +GenericContainerSpreadSheet.prototype.updateNumberOfRows = SpreadSheet.prototype.updateNumberOfRows; +GenericContainerSpreadSheet.prototype.emptyRow = SpreadSheet.prototype.emptyRow; + + +GenericContainerSpreadSheet.prototype.load = function(container){ + var _this = this; + this.container = container; + var domElement = document.getElementById(this.id + '_samples'); + var data = this.getSamplesData(container); function firstRowRenderer(instance, td, row, col, prop, value, cellProperties) { Handsontable.renderers.TextRenderer.apply(this, arguments); @@ -4277,35 +5420,267 @@ ContainerSpreadSheet.prototype.load = function(puck){ td.className = 'custom-row-text-required'; } } + if ((col == _this.unitCellIndex) || col == _this.spaceGroupIndex) { + td.style.background = '#EEE'; + } } - // maps function to lookup string - Handsontable.renderers.registerRenderer('ValueRenderer', ValueRenderer); - var _this = this; - this.spreadSheet = new Handsontable(container, { - beforeChange: function (changes, source) { - lastChange = changes; - - }, - data: this.getSamplesData(puck), - - height : this.height, - width : this.width, - manualColumnResize: true, - colWidths: this.getHeaderWidth(), - colHeaders: this.getHeaderText(), - stretchH: 'last', - columns: this.getColumns() - }); - /*this.spreadSheet.updateSettings({ - afterChange: function (changes, source) { - _this.onModified.notify(_this.getPuck()); + // maps function to lookup string + Handsontable.renderers.registerRenderer('ValueRenderer', ValueRenderer); + this.spreadSheet = new Handsontable(domElement, { + afterCreateRow: function (index, numberOfRows) { + data.splice(index, numberOfRows); + }, + beforeChange: function (changes, source) { + lastChange = changes; + }, + data: data, - } - });*/ + height : this.height, + width : this.width, + manualColumnResize: true, + colWidths: this.getHeaderWidth(), + colHeaders: this.getHeaderText(), + stretchH: 'last', + columns: this.getColumns(), + }); +}; + +/** +* Returns an array of arrays for each sample in the given container up to the container's capacity ordered according to the grid +* +* @method getSamplesData +* @param {Object} container The container which's samples are parsed +*/ +GenericContainerSpreadSheet.prototype.getSamplesData = function(container) { + var data = []; + for (var i = 0; i < container.capacity; i++) { + if (container.samples){ + if (i < container.samples.length){ + var sample = container.samples[i]; + data.push( + [(i+1),sample.Protein_acronym, sample.BLSample_name, sample.BLSample_comments] + ); + } else { + data.push([(i+1)]); + } + } else { + data.push([(i+1)]); + } + } + + return data; +} + +GenericContainerSpreadSheet.prototype.getHeader = function() { + var header = []; + header = [{ text : '#', id: 'position', column : {width : 20}}, + { text :'Samplesheet
Acronym', id :'Protein Acronym', column : { + width : 100, + type: 'dropdown', + source: this.getAcronyms() + } + }, + { text :'Sample
Name', id :'Sample Name', column : {width : 120}}, + { text :'Comments', id :'Comments', column : {width : 200}} + ]; + + return header; +} + +/** +* Returns a puck object with the corresponding samples from the grid +* +* @method getPuck +*/ +GenericContainerSpreadSheet.prototype.getPuck = function() { + var rows = this.parseTableData(); + var myPuck = {}; + myPuck.sampleVOs = []; + + function filterByLocation(samples){ + return _.filter(samples, function(b){return b.BLSample_location == rows[i].location;} ); + } + + for (var i = 0; i < rows.length; i++) { + var sample = {}; + var sampleByLocation = filterByLocation(this.container.samples); + if (sampleByLocation.length > 0){ + /** new sample */ + sample = sampleByLocation[0]; + } + + sample["Protein_acronym"] = rows[i]["Protein Acronym"]; + sample["BLSample_name"] = rows[i]["Sample Name"]; + sample["location"]= rows[i]["location"]; + sample["BLSample_comments"] = rows[i]["Comments"]; + sample["crystalVO"] = { + proteinVO : EXI.proposalManager.getProteinByAcronym(rows[i]["Protein Acronym"])[0] + }; + sample["diffractionPlanVO"] = {}; + + myPuck.sampleVOs.push(sample); + } + return myPuck; +} +function OtherContainerForm(args) { + this.id = BUI.id(); + var _this = this; + + this.width = 1500; + this.height = 600; + this.container = {}; + if (args != null) { + if (args.width != null) { + this.width = args.width; + } + if (args.height != null) { + this.height = args.height; + } + } + + this.containerSpreadSheet = new GenericContainerSpreadSheet({width : this.width - 50, height : this.height - 300}); + + this.onSave = new Event(this); + this.onCancel = new Event(this); +} + +OtherContainerForm.prototype.load = function (container) { + if (container) { + // var _this = this; + this.container = container; + if (!this.container.samples) { + this.container.samples = []; + } + if (!this.container.capacity) { + this.container.capacity = container.samples.length; + } + + Ext.getCmp(this.id + "container_name").setValue(container.code); + Ext.getCmp(this.id + "capacity").setValue(this.container.capacity); + this.containerSpreadSheet.load(this.container); + this.panel.doLayout(); + // this.panel.setLoading(true); + // var onSuccess = function (sender, samples) { + // if (samples) { + // _this.container.capacity = samples.length; + // _this.container.samples = samples; + // _this.containerSpreadSheet.load(_this.container); + // _this.panel.doLayout(); + // _this.panel.setLoading(false); + // } + // } + // EXI.getDataAdapter({onSuccess : onSuccess}).mx.sample.getSamplesByContainerId(container.containerId); + } +} + +OtherContainerForm.prototype.getPanel = function() { + var _this = this; + + this.panel = Ext.create('Ext.form.Panel', { + // width : this.width - 10, + // height : this.height, +// cls : 'border-grid', +// margin : 10, + autoScroll : true, + buttons : this.getButtons(), + items : [ + { + xtype : 'container', + margin : '5 0 2 5', + layout : 'hbox', + items : [ + + + { + xtype : 'container', + margin : '12 0 2 0', + layout : 'hbox', + items : [ + { + xtype: 'requiredtextfield', + id : this.id + 'container_name', + fieldLabel : 'Name', + name : 'name', + width : 250, + margin : '5 5 5 5', + labelWidth : 100 + }, + { + xtype: 'numberfield', + id : this.id + 'capacity', + fieldLabel : 'Capacity', + width : 250, + disabled : false, + margin : '5 5 5 10', + labelWidth : 100, + minValue: 0, + listeners: { + 'change': function(el, newValue, oldValue){ + _this.panel.setLoading(true); + _this.containerSpreadSheet.updateNumberOfRows(newValue); + _this.panel.setLoading(false); + } + } + } + ] + } + ] + }, + this.containerSpreadSheet.getPanel() + ] + }); + return this.panel; +}; + +OtherContainerForm.prototype.getButtons = function () { + var _this = this; + return [ { + text : 'Save', + id : this.id + "-save-button", + handler : function() { + _this.save(); + } + }, { + text : 'Cancel', + handler : function() { + _this.onCancel.notify(); + } + } ] +} + +OtherContainerForm.prototype.getContainer = function () { + this.container.code = Ext.getCmp(this.id + "container_code").getValue(); + this.container.containerType = "OTHER"; + this.container.capacity = this.container.samples.length; + return this.container; +} + +OtherContainerForm.prototype.save = function() { + var _this = this; + this.panel.setLoading("Saving Puck"); + + var puck = this.containerSpreadSheet.getPuck(); + + /** Updating general parameters **/ + puck.code = Ext.getCmp(_this.id + 'container_name').getValue(); + puck.capacity = Ext.getCmp(_this.id + 'capacity').getValue(); + puck.containerType = "OTHER"; + puck.containerId = this.container.containerId; + var onError = function(sender, error){ + _this.panel.setLoading(false); + EXI.setError(error.responseText); + }; + + var onSuccess = function(sender){ + _this.panel.setLoading(false); + _this.onSave.notify(puck); + }; + + EXI.getDataAdapter({onSuccess : onSuccess, onError : onError}).proposal.shipping.saveContainer(this.container.containerId, this.container.containerId, this.container.containerId, puck); }; /** @@ -4315,8 +5690,10 @@ ContainerSpreadSheet.prototype.load = function(puck){ * @constructor */ function ParcelGrid(args) { + this.id = BUI.id(); this.height = 100; this.width = 100; + this.padding = 0; this.btnEditVisible = true; this.btnRemoveVisible = true; @@ -4327,6 +5704,9 @@ function ParcelGrid(args) { if (args.width != null) { this.width = args.width; } + if (args.padding != null) { + this.padding = args.padding; + } if (args.btnEditVisible != null) { this.btnEditVisible = args.btnEditVisible; } @@ -4335,6 +5715,9 @@ function ParcelGrid(args) { } } + this.shipment = ""; + this.dewars = {}; + /** Events **/ this.onSuccess = new Event(this); this.onAdd = new Event(this); @@ -4344,14 +5727,15 @@ function ParcelGrid(args) { ParcelGrid.prototype._getTopButtons = function() { var _this = this; var actions = []; - return [(Ext.create('Ext.Action', { + return (Ext.create('Ext.Action', { + id : this.id + "-add-button", icon : '../images/icon/add.png', - text : 'Add New Parcel', - disabled : false, + text : 'Add', + disabled : true, handler : function(widget, event) { _this.edit(); } - }))]; + })); }; ParcelGrid.prototype.load = function(shipment) { @@ -4359,7 +5743,6 @@ ParcelGrid.prototype.load = function(shipment) { this.shipment = shipment; this.dewars = shipment.dewarVOs; - this.parcelForms = []; this.panel.removeAll(); @@ -4377,16 +5760,20 @@ ParcelGrid.prototype.load = function(shipment) { }; EXI.getDataAdapter({onSuccess : onSuccess}).proposal.dewar.saveDewar(_this.shipment.shippingId, dewar); } - + + Ext.getCmp(this.id + "-label").setText("Content (" + this.dewars.length + " Parcels)"); + Ext.getCmp(this.id + "-add-button").enable(); for ( var i in this.dewars) { - var parcelForm = new ParcelPanel({ - height : 275, - width : this.width - 40 + var parcelPanel = new ParcelPanel({ + height : 90, + width : this.width - 60, + shippingId : this.shipment.shippingId, + shippingStatus : this.shipment.shippingStatus, + index : Number(i)+1 }); - this.panel.insert(parcelForm.getPanel()); - parcelForm.load(this.dewars[i]); - parcelForm.onSavedClick.attach(onSaved); - this.parcelForms.push(parcelForm); + this.panel.insert(parcelPanel.getPanel()); + parcelPanel.load(this.dewars[i],this.shipment); + parcelPanel.onSavedClick.attach(onSaved); } }; @@ -4444,13 +5831,21 @@ ParcelGrid.prototype.getPanel = function() { width : this.width, autoScroll:true, autoHeight :true, - maxHeight: this.height + maxHeight: this.height, + padding : this.padding }); this.panel.addDocked({ height : 45, xtype : 'toolbar', - items : _this._getTopButtons(), + items : [ + { + xtype : 'label', + text : 'Content (0 Parcels)', + id : this.id + "-label" + }, + _this._getTopButtons() + ], cls : 'exi-top-bar' }); @@ -4463,10 +5858,11 @@ ParcelGrid.prototype.getPanel = function() { * @class PuckForm * @constructor **/ -function PuckForm(args) { +function PuckFormView(args) { this.id = BUI.id(); this.height = 500; this.width = 500; + this.unsavedChanges = false; if (args != null) { if (args.height != null) { @@ -4480,145 +5876,90 @@ function PuckForm(args) { var _this = this; - //this.puckLayout = new PuckPanel({width : 150, tbar : false}); - this.containerSpreadSheet = new ContainerSpreadSheet({width : 1300}); - - /*this.containerSpreadSheet.onModified.attach(function(sender, puck){ - - });*/ + this.containerSpreadSheet = new ContainerSpreadSheet({width : Ext.getBody().getWidth() - 100, height : 600}); + this.containerSpreadSheet.onModified.attach(function (sender, change) { + _this.unsavedChanges = true; + }); + + this.capacityCombo = new ContainerTypeComboBox({label : "Type:", labelWidth : 100, width : 250, initDisabled : true}); + this.capacityCombo.onSelected.attach(function (sender, data) { + var capacity = data.capacity; + _this.unsavedChanges = true; + _this.containerTypeChanged(capacity); + }); this.onRemoved = new Event(this); this.onSaved = new Event(this); } /** Loads a puck into the form **/ -PuckForm.prototype.load = function(puck, shippingId) { +PuckFormView.prototype.load = function(containerId, shippingId, shippingStatus) { var _this = this; - this.puck = puck; - - if (puck != null){ - Ext.getCmp(this.id + "puck_name").setValue(this.puck.code); - this.capacityCombo.setValue(this.puck.capacity); - Ext.getCmp(this.id + "puck_beamline").setValue(this.puck.beamlineLocation); - Ext.getCmp(this.id + "puck_sampleChangerLocation").setValue(this.puck.sampleChangerLocation); - Ext.getCmp(this.id + "puck_status").setValue(this.puck.containerStatus); - } - this.containerSpreadSheet.load(puck); -}; + this.shippingId = shippingId; + this.shippingStatus = shippingStatus; + this.containerId = containerId; + // this.containerSpreadSheet.setLoading(true); + this.panel.setTitle("Shipment"); -/* -PuckForm.prototype.loadPlateLayout = function(puck) { - try{ - this.puckLayout.load(puck); - this.puckLayout.render(puck); - } - catch(e){ - console.log(e); - } -};*/ + var onSuccess = function(sender, puck){ + _this.puck = puck; + if (puck != null){ + Ext.getCmp(_this.id + "puck_name").setValue(_this.puck.code); + if (_this.puck.capacity){ + _this.capacityCombo.setValue(_this.puck.capacity); + } else { + $.notify("ERROR: The capacity of the container is not defined.", "error"); + } + Ext.getCmp(_this.id + "puck_beamline").setValue(_this.puck.beamlineLocation); + Ext.getCmp(_this.id + "puck_sampleChangerLocation").setValue(_this.puck.sampleChangerLocation); + Ext.getCmp(_this.id + "puck_status").setValue(_this.puck.containerStatus); + } -PuckForm.prototype.getToolBar = function() { - var _this = this; - return [ - - { - text: 'Remove', - width : 100, - height : 30, - cls : 'btn-red', - handler : function(){ - function showResult(result){ - if (result == "yes"){ - _this.removePuck(); - } - } - Ext.MessageBox.show({ - title:'Remove', - msg: 'Removing a puck from this parcel will remove also its content.
Are you sure you want to continue?', - buttons: Ext.MessageBox.YESNO, - fn: showResult, - animateTarget: 'mb4', - icon: Ext.MessageBox.QUESTION - }); - } - }, - "->", - { - text: 'Save', - width : 100, - height : 30, - handler : function(){ - _this.save(); - } - } - ]; -}; + _this.fillSamplesGrid(puck); -PuckForm.prototype.removePuck = function() { - var _this = this; - this.panel.setLoading(); - var onSuccess = function(sender, data){ - _this.panel.setLoading(false); - _this.onRemoved.notify(containerId); - }; - var containerId = this.puck.containerId; - EXI.getDataAdapter({onSuccess: onSuccess}).proposal.shipping.removeContainerById(containerId,containerId,containerId ); - -}; + }; -PuckForm.prototype.save = function() { - var _this = this; - this.panel.setLoading("Saving Puck"); + EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.getContainerById(this.containerId,this.containerId,this.containerId); - var puck = this.containerSpreadSheet.getPuck(); - /** Updating general parameters **/ - puck.code = Ext.getCmp(_this.id + 'puck_name').getValue(); - puck.capacity = _this.capacityCombo.getValue(); - - var onError = function(sender, error){ - _this.panel.setLoading(false); - EXI.setError(error.responseText); - }; - - var onSuccess = function(sender, puck){ - _this.panel.setLoading(false); - _this.load(puck); - _this.onSaved.notify(puck); - }; - EXI.getDataAdapter({onSuccess : onSuccess, onError : onError}).proposal.shipping.saveContainer(this.puck.containerId, this.puck.containerId, this.puck.containerId, puck); }; - -/** - * When container type has changed from SPINE|| UNIPUCK || PLATE - * - * We make the spreadsheet longer and the platelayout is rendered again - */ -PuckForm.prototype.containerTypeChanged = function(capacity) { - this.puck.capacity = capacity; - var data = this.containerSpreadSheet.spreadSheet.getData(); - if (data.length < capacity){ - for (var i = data.length; i<= capacity; i++){ - data.push([i]); +PuckFormView.prototype.fillSamplesGrid = function (puck) { + var _this = this; + this.containerSpreadSheet.setLoading(true); + var onSuccess = function (sender, samples) { + if (samples) { + if (samples.length > 0) { + _this.containerSpreadSheet.setRenderCrystalFormColumn(true); + } else { + _this.containerSpreadSheet.setRenderCrystalFormColumn(false); + } + _this.containerSpreadSheet.setContainerType(puck.containerType); + _this.containerSpreadSheet.load(puck); + if (_this.shippingStatus != "processing"){ + var withoutCollection = _.filter(samples,{DataCollectionGroup_dataCollectionGroupId : null}); + if (withoutCollection.length == samples.length) { + Ext.getCmp(_this.id + "_save_button").enable(); + Ext.getCmp(_this.id + "_remove_button").enable(); + _this.capacityCombo.enable(); + } + } else { + _this.containerSpreadSheet.disableAll(); + } + _this.containerSpreadSheet.setLoading(false); + if (_this.containerSpreadSheet.renderCrystalFormColumn) { + _this.setValuesForEditCrystalColumn(); + } } } - else{ - data = data.slice(0, capacity); - } - this.containerSpreadSheet.spreadSheet.loadData(data); -}; + EXI.getDataAdapter({onSuccess : onSuccess}).mx.sample.getSamplesByContainerId(puck.containerId); +} -PuckForm.prototype.getPanel = function() { +PuckFormView.prototype.getPanel = function() { var _this =this; - var capacityCombo = BIOSAXS_COMBOMANAGER.getComboPuckType({margin : '10 0 10 5', labelWidth : 100, width : 250}); - capacityCombo.on('select', function(capacityCombo, record){ - var capacity = record[0].data.value; - _this.containerTypeChanged(capacity); - }); - - this.capacityCombo = capacityCombo; + this.panel = Ext.create('Ext.panel.Panel', { + autoScroll : true, buttons : this.getToolBar(), items : [ { @@ -4631,7 +5972,7 @@ PuckForm.prototype.getPanel = function() { { xtype : 'container', margin : '12 0 2 0', - layout : 'vbox', + layout : 'hbox', items : [ { xtype: 'requiredtextfield', @@ -4639,27 +5980,27 @@ PuckForm.prototype.getPanel = function() { fieldLabel : 'Name', name : 'name', width : 250, - margin : '0 0 0 5', - labelWidth : 100 + margin : '5 5 5 5', + labelWidth : 100, }, - this.capacityCombo, + this.capacityCombo.getPanel(), { xtype: 'textfield', id : this.id + 'puck_beamline', fieldLabel : 'Beamline', width : 250, disabled : true, - margin : '0 0 0 5', + margin : '5 5 5 10', labelWidth : 100 }, { xtype: 'textfield', id : this.id + 'puck_sampleChangerLocation', fieldLabel : '#Sample Changer', - width : 250, + width : 300, disabled : true, - margin : '0 0 0 5', - labelWidth : 100 + margin : '5 5 5 5', + labelWidth : 150 }, { xtype: 'textfield', @@ -4667,7 +6008,7 @@ PuckForm.prototype.getPanel = function() { fieldLabel : 'Status', width : 250, disabled : true, - margin : '0 0 0 5', + margin : '5 5 5 5', labelWidth : 100 } ] @@ -4683,118 +6024,300 @@ PuckForm.prototype.getPanel = function() { return this.panel; }; +PuckFormView.prototype.getToolBar = function() { + var _this = this; + return [ + { + text: 'Remove', + id: this.id + "_remove_button", + width : 100, + height : 30, + disabled : true, + cls : 'btn-red', + handler : function(){ + function showResult(result){ + if (result == "yes"){ + _this.removePuck(); + } + } + Ext.MessageBox.show({ + title:'Remove', + msg: 'Removing a puck from this parcel will remove also its content.
Are you sure you want to continue?', + buttons: Ext.MessageBox.YESNO, + fn: showResult, + animateTarget: 'mb4', + icon: Ext.MessageBox.QUESTION + }); + } + }, + "->", + { + text: 'Save', + id: this.id + "_save_button", + width : 100, + height : 30, + disabled : true, + handler : function(){ + _this.save(); + } + }, + { + text: 'Return to shipment', + width : 200, + height : 30, + handler : function () { + _this.returnToShipment(); + } + } + ]; +}; + +PuckFormView.prototype.removePuck = function() { + var _this = this; + this.panel.setLoading(); + var onSuccess = function(sender, data){ + _this.panel.setLoading(false); + location.href = "#/shipping/" + _this.shippingId + "/main"; + // _this.onRemoved.notify(containerId); + }; + EXI.getDataAdapter({onSuccess: onSuccess}).proposal.shipping.removeContainerById(this.containerId,this.containerId,this.containerId ); + +}; + +PuckFormView.prototype.returnToShipment = function(){ + /**Check if the container's name has been changed */ + if (this.puck.code != Ext.getCmp(this.id + 'puck_name').getValue()) { + this.unsavedChanges = true; + } + if (this.unsavedChanges) { + this.showReturnWarning(); + } else { + location.href = "#/shipping/" + this.shippingId + "/main"; + } +} /** - * Same form as MX part +* Saves the container +* +* @method save +* @param {Boolean} returnToShipment True if you want to return to shipment after the save +*/ +PuckFormView.prototype.save = function(returnToShipment) { + var _this = this; + + var puck = this.containerSpreadSheet.getPuck(); + /** Check if all samples have name */ + if (puck.sampleVOs && puck.sampleVOs.length > 0) { + var sampleNames = _.map(puck.sampleVOs,"name"); + if(sampleNames.indexOf(null) >= 0 || sampleNames.indexOf("") >= 0) { + $.notify("There are samples without a Sample Name", "error"); + return; + } + } + /** Updating general parameters **/ + puck.code = Ext.getCmp(_this.id + 'puck_name').getValue(); + puck.capacity = _this.capacityCombo.getSelectedCapacity(); + puck.containerType = _this.capacityCombo.getSelectedType(); + + var onError = function(sender, error){ + _this.panel.setLoading(false); + EXI.setError(error.responseText); + }; + + var onSuccess = function(sender, puck){ + _this.unsavedChanges = false; + _this.panel.setLoading(false); + if (returnToShipment){ + location.href = "#/shipping/" + _this.shippingId + "/main"; + } else { + _this.load(_this.containerId, _this.shippingId); + } + }; + this.panel.setLoading("Saving Puck"); + EXI.getDataAdapter({onSuccess : onSuccess, onError : onError}).proposal.shipping.saveContainer(this.containerId, this.containerId, this.containerId, puck); +}; + +/** + * When container type has changed from SPINE|| UNIPUCK || PLATE * - * @creationMode if true a create button appears instead of save - * @showTitle true or false + * We make the spreadsheet longer and the platelayout is rendered again */ -function ShipmentForm(args) { - this.id = BUI.id(); - this.width = 600; +PuckFormView.prototype.containerTypeChanged = function(capacity) { + var currentType = this.capacityCombo.getTypeByCapacity(this.puck.capacity); + var newType = this.capacityCombo.getTypeByCapacity(capacity); + this.puck.capacity = capacity; + this.containerSpreadSheet.setContainerType(newType); + this.containerSpreadSheet.updateNumberOfRows(capacity); +}; + +/** + * When container type has changed from SPINE|| UNIPUCK || PLATE + * Updates the values for the edit crystal column + */ +PuckFormView.prototype.setValuesForEditCrystalColumn = function(capacity) { + var rows = this.containerSpreadSheet.parseTableData(); + var columnIndex = this.containerSpreadSheet.getColumnIndex("editCrystalForm"); + for (var i = 0; i < rows.length; i++) { + this.containerSpreadSheet.addEditCrystalFormButton(rows[i].location-1,columnIndex); + } + this.panel.doLayout(); +}; + +PuckFormView.prototype.showReturnWarning = function() { + var _this = this; + var window = Ext.create('Ext.window.Window', { + title: 'Container', + width: 250, + layout: 'fit', + modal : true, + items: [ + { + html : '
Do you want to save the changes to the container ' + _this.puck.code + '?
', + } + ], + buttons : [ { + text : 'Yes', + handler : function() { + window.close(); + _this.save(true); + } + },{ + text : 'No', + handler : function() { + window.close(); + location.href = "#/shipping/" + _this.shippingId + "/main"; + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }); + window.show(); +} +function ShipmentEditForm(args) { + this.id = BUI.id(); + this.width = 600; + this.height = 200; + this.showTitle = true; if (args != null) { - if (args.creationMode != null) { - this.creationMode = args.creationMode; + if (args.showTitle != null) { + this.showTitle = args.showTitle; } - if (args.width != null) { + if (args.width != null) { this.width = args.width; } + if (args.height != null) { + this.height = args.height; + } } - + this.onSaved = new Event(this); } -ShipmentForm.prototype.fillStores = function() { - this.panel.setLoading("Loading Labcontacts from database"); - var labContacts = EXI.proposalManager.getLabcontacts(); - - this.labContactForSendingStore.loadData(labContacts, false); - - labContacts.sort(function(a, b){ - if(a.cardName < b.cardName) {return -1;} - if(a.cardName > b.cardName) {return 1;} - return 0; - }); - - $.extend(labContacts, [{ cardName : 'Same as for shipping to beamline', labContactId : -1}, { cardName : 'No return requested', labContactId : 0}]); - this.labContactForReturnStore.loadData(labContacts, false); +ShipmentEditForm.prototype.load = function(shipment) { - this.labContactsReturnCombo.setValue(-1); - - this.panel.setLoading(false); - if (this.shipment != null) { - this.setShipment(this.shipment); - } -}; + this.shipment = shipment; -ShipmentForm.prototype.draw = function(targetId) { - this.getPanel().render(targetId); -}; + var fromData = EXI.proposalManager.getLabcontacts(); + var toData = $.extend(EXI.proposalManager.getLabcontacts(), [{ cardName : 'Same as for shipping to beamline', labContactId : -1}, { cardName : 'No return requested', labContactId : 0}]); -ShipmentForm.prototype.load = function(shipment) { - this.shipment = shipment; - var _this = this; - Ext.getCmp(_this.id + "shippingName").setValue(shipment.shippingName); - Ext.getCmp(_this.id + "comments").setValue(shipment.comments); - if (shipment.sendingLabContactVO != null) { - this.labContactsSendingCombo.setValue(shipment.sendingLabContactVO.labContactId); + var html = ""; + var beamlineName = ""; + var startDate = ""; + if (shipment){ + if (shipment.sessions.length > 0){ + beamlineName = shipment.sessions[0].beamlineName; + startDate = (new Date(shipment.sessions[0].startDate)).toLocaleDateString(); + } } - - if (shipment.returnLabContactVO == null) { - this.labContactsReturnCombo.setValue(0); - } - else{ - if (shipment.returnLabContactVO.labContactId == shipment.sendingLabContactVO.labContactId){ - this.labContactsReturnCombo.setValue(-1); - } - else{ - this.labContactsReturnCombo.setValue(shipment.returnLabContactVO.labContactId); + var sessionSort = function(o1,o2) { + var d1 = new Date(o1.BLSession_startDate); + var d2 = new Date(o2.BLSession_startDate); + if (d1 === d2) { + return 0; + } else { + return (d1 < d2) ? 1 : -1; } } - - if (shipment.sessions != null){ - if (shipment.sessions.length > 0){ - var session = shipment.sessions[0]; - this.sessionComboBox.setValue(session.sessionId); + var sessions = EXI.proposalManager.getSessions(); + sessions.sort(sessionSort); + var sessionsSelectData = []; + var currentDay = new Date((new Date()).toDateString()); + for (var i = 0 ; i < sessions.length ; i++){ + var session = sessions[i]; + var sessionStartDate = (new Date(session.BLSession_startDate)); + if (currentDay <= (new Date(sessionStartDate.toDateString())) ){ + var dd = sessionStartDate.getDate(); + var mm = sessionStartDate.getMonth()+1; //January is 0! + var yyyy = sessionStartDate.getFullYear(); + if(dd<10){ + dd='0'+dd; + } + if(mm<10){ + mm='0'+mm; + } + var formattedDate = dd+'/'+mm+'/'+yyyy; + sessionsSelectData.push({sessionId : session.sessionId, date : sessionStartDate.toLocaleDateString(), formattedDate : formattedDate, beamLineName : session.beamLineName}); } } + + + dust.render("shipping.edit.form.template", {id : this.id, sessions : sessionsSelectData, to : toData, from : fromData, beamlineName : beamlineName, startDate : startDate, shipment : shipment}, function(err, out){ + html = out; + }); + + $('#' + this.id).hide().html(html).fadeIn('fast'); + this.panel.doLayout(); +}; + +ShipmentEditForm.prototype.getPanel = function() { + + this.panel = Ext.create("Ext.panel.Panel",{ + items : [{ + html : '
', + autoScroll : false, + padding : this.padding, + width : this.width + }] + }); + return this.panel; }; -ShipmentForm.prototype._saveShipment = function() { +ShipmentEditForm.prototype.saveShipment = function() { var _this = this; + + var sendingAddressId = $("#" + this.id + "-to").val(); + var returnAddressId = $("#" + this.id + "-from").val(); + var shippingId = null; - - if (this.shipment != null) { + if (this.shipment) { shippingId = this.shipment.shippingId; } - var sendingAddressId = this.labContactsSendingCombo.getValue(); - var returnAddressId = this.labContactsReturnCombo.getValue(); - if (sendingAddressId == null) { BUI.showError("User contact information for shipping to beamline is mandatory"); return; } - /** No return requested **/ - if (this.labContactsReturnCombo.getValue() == 0){ + if (returnAddressId == "No return requested"){ returnAddressId = 0; } /** Same sender **/ - if (this.labContactsReturnCombo.getValue() == -1){ + if (returnAddressId == "Same as for shipping to beamline"){ returnAddressId = -1; } - + var sendingAddress = (EXI.proposalManager.getLabcontactById(sendingAddressId)); var json = { shippingId : shippingId, - name : Ext.getCmp(_this.id + "shippingName").getValue(), + name : $("#" + this.id + "-name").val(), status : "Not set", sendingLabContactId : sendingAddressId, returnLabContactId : returnAddressId, @@ -4803,17 +6326,15 @@ ShipmentForm.prototype._saveShipment = function() { billingReference : sendingAddress.billingReference, dewarAvgCustomsValue : sendingAddress.dewarAvgCustomsValue, dewarAvgTransportValue :sendingAddress.dewarAvgTransportValue, - comments : Ext.getCmp(_this.id + "comments").getValue(), - sessionId : this.sessionComboBox.getValue() + comments : $("#" + this.id + "-comments").val(), + sessionId : $("#" + this.id + "-date").val() }; var onSuccess = function(sender, shipment) { - location.hash = "#/shipping/" + shipment.shippingId + "/main"; _this.panel.setLoading(false); _this.onSaved.notify(shipment); }; - /** Cheking params **/ if (json.name == "") { BUI.showError("Name field is mandatory"); @@ -4825,134 +6346,121 @@ ShipmentForm.prototype._saveShipment = function() { return; } - this.panel.setLoading(); EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.saveShipment(json); +} +/** + * Same form as MX part + * + * @creationMode if true a create button appears instead of save + * @showTitle true or false + */ +function ShipmentForm(args) { + this.id = BUI.id(); + this.width = 600; + this.padding = 10; + + if (args != null) { + if (args.creationMode != null) { + this.creationMode = args.creationMode; + } + if (args.width != null) { + this.width = args.width; + } + } - -}; + this.onSaved = new Event(this); +} -ShipmentForm.prototype.getPanel = function() { +ShipmentForm.prototype.load = function(shipment) { + this.shipment = shipment; var _this = this; - var required = '*'; - var buttons = []; + + var toData = EXI.proposalManager.getLabcontacts(); + var fromData = $.extend(EXI.proposalManager.getLabcontacts(), [{ cardName : 'Same as for shipping to beamline', labContactId : -1}, { cardName : 'No return requested', labContactId : 0}]); - if (_this.creationMode) { - buttons.push({ - text : 'Create', - scope : this, - handler : function() { - _this._saveShipment(); - } - }); - } else { - buttons.push({ - text : 'Save', - scope : this, - handler : function() { - _this._saveShipment(); - } + var html = ""; + var beamlineName = ""; + var startDate = ""; + if (shipment){ + if (shipment.sessions.length > 0){ + beamlineName = shipment.sessions[0].beamlineName; + startDate = moment(shipment.sessions[0].startDate).format("DD/MM/YYYY"); + } + } + + dust.render("shipping.form.template", {id : this.id, to : toData, from : fromData, beamlineName : beamlineName, startDate : startDate, shipment : shipment}, function(err, out){ + html = out; + }); + + $('#' + _this.id).hide().html(html).fadeIn('fast'); + if (shipment == null || shipment.shippingStatus != "processing"){ + $("#" + _this.id + "-edit-button").prop('disabled',false); + $("#" + _this.id + "-edit-button").unbind('click').click(function(sender){ + _this.edit(); }); - } - this.labContactForSendingStore = Ext.create('Ext.data.Store', { - fields : [ 'cardName', 'labContactId' ], - sorters : 'cardName' - }); + this.panel.doLayout(); - this.labContactForReturnStore = Ext.create('Ext.data.Store', { - fields : [ 'cardName', 'labContactId' ] - - }); +}; - this.labContactsSendingCombo = Ext.create('Ext.form.ComboBox', { - id : _this.id + "shipmentform_sendingLabContactId", - fieldLabel : 'Shipping Card to ESRF', - afterLabelTextTpl : required, - store : this.labContactForSendingStore, - queryMode : 'local', - labelWidth : 200, - width : 600, - margin : '10 0 0 10', - displayField : 'cardName', - valueField : 'labContactId' - }); +ShipmentForm.prototype.getPanel = function() { - this.labContactsReturnCombo = Ext.create('Ext.form.ComboBox', { - id : _this.id + "returnLabContactId", - fieldLabel : 'Shipping Card to HOME', - afterLabelTextTpl : required, - store : this.labContactForReturnStore, - queryMode : 'local', - margin : '10 0 0 10', - labelWidth : 200, - width : 600, - displayField : 'cardName', - valueField : 'labContactId' + this.panel = Ext.create("Ext.panel.Panel",{ + items : [{ + cls : 'border-grid', + html : '
', + autoScroll : false, + margin : 10, + padding : this.padding, + width : this.width + }] }); - - this.sessionComboBox = BIOSAXS_COMBOMANAGER.getComboSessions(EXI.proposalManager.getSessions(), {margin: '10 0 0 10', width: 400, labelWidth: 200}); - - if (this.panel == null) { - this.panel = Ext.create('Ext.form.Panel', { - layout: 'hbox', - width : this.width, - margin : 10, - bodyPadding : 5, - cls : 'border-grid', - buttons : buttons, - items : [ - { - xtype : 'container', - layout: 'vbox', - items: [ - { - xtype : 'requiredtextfield', - fieldLabel : 'Name', - allowBlank : false, - labelWidth : 200, - width : 400, - margin : "10 20 0 10", - name : 'shippingName', - id : _this.id + 'shippingName', - value : '', - }, - this.sessionComboBox - ] - }, - { - xtype : 'textareafield', - name : 'comments', - id : _this.id + 'comments', - fieldLabel : 'Comments', - value : '', - labelWidth : 200, - margin : "10 20 0 10", - width : 500, - }, - { - xtype : 'container', - layout: 'vbox', - items: [ - this.labContactsSendingCombo, - this.labContactsReturnCombo - ] - } - ] - }); - } - this.fillStores(); return this.panel; }; +ShipmentForm.prototype.edit = function(dewar) { + var _this = this; + var shippingEditForm = new ShipmentEditForm(); + + shippingEditForm.onSaved.attach(function (sender, shipment) { + if (_this.shipment) { + _this.load(shipment); + } else { + _this.onSaved.notify(shipment); + } + window.close(); + }); + + var window = Ext.create('Ext.window.Window', { + title : 'Shipment', + height : 450, + width : 600, + modal : true, + layout : 'fit', + items : [ shippingEditForm.getPanel() ], + buttons : [ { + text : 'Save', + handler : function() { + shippingEditForm.saveShipment(); + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }).show(); + shippingEditForm.load(this.shipment); +}; /** * This main class deals with the creation and edition of shipments * -* @class ShippingMainView +* @class ShippingMainViewTest * @constructor */ function ShippingMainView() { @@ -4965,7 +6473,8 @@ function ShippingMainView() { */ this.shipmentForm = new ShipmentForm({width : Ext.getBody().getWidth() - 200}); this.shipmentForm.onSaved.attach(function(sender, shipment){ - location.hash = "#/proposal/shipping/nav?nomain"; + // location.hash = "#/proposal/shipping/nav?nomain"; + location.hash = "#/shipping/" + shipment.shippingId + "/main"; }); /** @@ -4983,6 +6492,7 @@ ShippingMainView.prototype.getPanel = function() { type: 'vbox', align: 'center' }, + autoScroll : true, cls : 'border-grid', items : [ this.shipmentForm.getPanel(), @@ -4998,9 +6508,6 @@ ShippingMainView.prototype.load = function(shippingId) { var _this = this; this.shippingId = shippingId; - if (shippingId == null){ - Ext.getCmp(this.id + "grid").disable(true); - } this.panel.setTitle("Shipment"); if (shippingId != null){ this.panel.setLoading(); @@ -5010,99 +6517,260 @@ ShippingMainView.prototype.load = function(shippingId) { _this.panel.setLoading(false); }; EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.getShipment(shippingId); - } + } + else{ + + _this.shipmentForm.load(); + _this.panel.setLoading(false); + } }; - -/** -* This main class deals with the creation and edition of shipments -* -* @class ShippingMainViewTest -* @constructor -*/ -function ShippingMainViewTest() { +function WelcomeMainView() { + this.icon = '../images/icon/rsz_ic_home_black_24dp.png'; MainView.call(this); - var _this = this; + this.title = "Welcome"; + this.closable = true; +} - /** - * - * @property shipmentForm - */ - this.shipmentForm = new ShipmentForm({width : Ext.getBody().getWidth() - 200}); - this.shipmentForm.onSaved.attach(function(sender, shipment){ - location.hash = "#/proposal/shipping/nav?nomain"; - }); +WelcomeMainView.prototype.getPanel = MainView.prototype.getPanel; - /** - * - * @property parcelGrid - */ - this.parcelGrid = new ParcelGrid({height : 580, width : Ext.getBody().getWidth() - 200}); + +WelcomeMainView.prototype.getContainer = function() { + return { + layout: { + type: 'fit' + }, + items : [ + { + html : "", + margin : '50 0 0 50' + } + ] + }; +}; + + +WelcomeMainView.prototype.load = function() { +}; + +function AddressEditForm (args) { + this.id = BUI.id(); + this.height = 450; + this.width = 740; + this.padding = 10 + + + if (args != null) { + if (args.height != null) { + this.height = args.height; + } + if (args.width != null) { + this.width = args.width; + } + } + + this.onSaved = new Event(this); } -ShippingMainViewTest.prototype.getPanel = function() { - - this.panel = Ext.create('Ext.panel.Panel', { - layout: { - type: 'vbox', - align: 'center' - }, - cls : 'border-grid', - items : [ - this.shipmentForm.getPanel(), - this.parcelGrid.getPanel() - ] +AddressEditForm.prototype.load = function(address) { + this.address = {}; + if (address) { + this.address = address; + } + this.address.id = this.id; + + var html = ""; + dust.render("address.edit.form.template", this.address, function(err, out){ + html = out; + }); + $('#' + this.id).hide().html(html).fadeIn('fast'); + this.panel.doLayout(); +}; + +AddressEditForm.prototype.getPanel = function() { + + this.panel = Ext.create("Ext.panel.Panel",{ + items : [{ + // cls : 'border-grid', + html : '
', + autoScroll : false, + margin : 10, + padding : this.padding, + width : this.width + }] }); - return this.panel; + return this.panel; }; +AddressEditForm.prototype.save = function() { + var _this = this; + var address = this.getAddress(); + var onSuccess = function (sender,addressSaved) { + _this.onSaved.notify(address); + } + + EXI.getDataAdapter({onSuccess : onSuccess}).proposal.labcontacts.saveLabContact(address); +}; -ShippingMainViewTest.prototype.load = function(shippingId) { - var _this = this; - this.shippingId = shippingId; - - if (shippingId == null){ - Ext.getCmp(this.id + "grid").disable(true); +AddressEditForm.prototype.getAddress = function () { + var address = {}; + address = this.address; + if (!address.labContactId){ + address.labContactId = null; + } + if (!address.personVO) { + address.personVO = {}; + address.personVO.personId = null; + } + address.personVO.emailAddress = $("#" + this.id + "-emailAddress").val(); + address.personVO.familyName = $("#" + this.id + "-familyName").val(); + address.personVO.givenName = $("#" + this.id + "-givenName").val(); + address.personVO.phoneNumber = $("#" + this.id + "-phoneNumber").val(); + address.personVO.faxNumber = $("#" + this.id + "-faxNumber").val(); + address.cardName = $("#" + this.id + "-cardName").val(); + address.courierAccount = $("#" + this.id + "-courierAccount").val(); + address.defaultCourrierCompany = $("#" + this.id + "-defaultCourrierCompany").val(); + address.dewarAvgCustomsValue = $("#" + this.id + "-dewarAvgCustomsValue").val(); + address.dewarAvgTransportValue = $("#" + this.id + "-dewarAvgTransportValue").val(); + address.billingReference = $("#" + this.id + "-billingReference").val(); + address.labName = $("#" + this.id + "-labName").val(); + address.labAddress = $("#" + this.id + "-labAddress").val(); + + return address; +} +/** + * Edit the information of a buffer + * + * #onRemoveAdditive + */ +function AddressForm(args) { + this.id = BUI.id(); + this.height = 500; + this.width = 500; + + + if (args != null) { + if (args.height != null) { + this.height = args.height; + } + if (args.width != null) { + this.width = args.width; + } } - this.panel.setTitle("Shipment"); - if (shippingId != null){ - this.panel.setLoading(); - var onSuccess = function(sender, shipment){ - _this.shipmentForm.load(shipment); - _this.parcelGrid.load(shipment); - _this.panel.setLoading(false); - }; - EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.getShipment(shippingId); +} + +AddressForm.prototype.getAddress = function() { + if (this.address == null) { + this.address = {}; + } + this.address["billingReference"] = Ext.getCmp(this.id + "billingReference").getValue(); + this.address["cardName"] = Ext.getCmp(this.id + "cardName").getValue(); + this.address["courierAccount"] = Ext.getCmp(this.id + "courierAccount").getValue(); + this.address["defaultCourrierCompany"] = Ext.getCmp(this.id + "courrierCompany").getValue(); + this.address["dewarAvgCustomsValue"] = Ext.getCmp(this.id + "dewarAvgCustomsValue").getValue(); + this.address["dewarAvgTransportValue"] = Ext.getCmp(this.id + "dewarAvgTransportValue").getValue(); + + if (this.address.personVO == null) { + this.address.personVO = {}; + } + else{ + } + + this.address.personVO["emailAddress"] = Ext.getCmp(this.id + "emailAddress").getValue(); + this.address.personVO["familyName"] = Ext.getCmp(this.id + "familyName").getValue(); + this.address.personVO["givenName"] = Ext.getCmp(this.id + "name").getValue(); + this.address.personVO["faxNumber"] = Ext.getCmp(this.id + "faxNumber").getValue(); + this.address.personVO["phoneNumber"] = Ext.getCmp(this.id + "phoneNumber").getValue(); + return this.address; }; -function WelcomeMainView() { - this.icon = '../images/icon/rsz_ic_home_black_24dp.png'; - MainView.call(this); - this.title = "Welcome"; - this.closable = true; -} -WelcomeMainView.prototype.getPanel = MainView.prototype.getPanel; +AddressForm.prototype.load = function(address) { + this.address = address; + + var html = ""; + dust.render("address.form.template", address, function(err, out){ + html = out; + }); + $('#' + this.id).hide().html(html).fadeIn('fast'); + this.panel.doLayout(); +}; + +AddressForm.prototype.getPanel = function() { + var _this = this; + + this.panel = Ext.create("Ext.panel.Panel",{ + cls : "border-grid", + title : 'Shipping Address Card', + buttons : this.getToolBar(), + icon : '../images/icon/ic_email_black_24dp.png', + items : [{ + // cls : 'border-grid', + html : '
', + autoScroll : false, + margin : 10, + padding : this.padding, + width : this.width + }] + }); + + return this.panel; +}; + +// AddressForm.prototype.save = function() { +// var _this = this; + +// _this.panel.setLoading(); +// var onSuccess = function(sender) { +// _this.panel.setLoading(false); +// EXI.getDataAdapter().proposal.proposal.update(); +// }; +// EXI.getDataAdapter({onSuccess : onSuccess }).proposal.labcontacts.saveLabContact(_this.getAddress()); +// }; +AddressForm.prototype.getToolBar = function() { + var _this = this; + return [ { + text : 'Edit', + hidden : _this.isSaveButtonHidden, + width : 100, + handler : function() { + _this.edit(); -WelcomeMainView.prototype.getContainer = function() { - return { - layout: { - type: 'fit' - }, - items : [ - { - html : "", - margin : '50 0 0 50' - } - ] - }; + } } ]; }; - -WelcomeMainView.prototype.load = function() { +AddressForm.prototype.edit = function(dewar) { + var _this = this; + var addressEditForm = new AddressEditForm(); + addressEditForm.onSaved.attach(function (sender, address) { + window.close(); + _this.load(address); + }); + + var window = Ext.create('Ext.window.Window', { + title : 'Shipping Address Card', + height: 550, + width: 750, + modal : true, + layout : 'fit', + items : [ addressEditForm.getPanel() ], + buttons : [ { + text : 'Save', + handler : function() { + addressEditForm.save(); + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }).show(); + + addressEditForm.load(this.address); }; function AuthenticationForm(){ @@ -5208,75 +6876,552 @@ AuthenticationForm.prototype.getIconForm = function(){ }; -AuthenticationForm.prototype.getPanel = function(){ - var _this = this; - +AuthenticationForm.prototype.getPanel = function(){ + var _this = this; + + + if (ExtISPyB.sites){ + if (ExtISPyB.sites.length == 1){ + /** Only a single site so we can show the icon */ + this.singleSite = true; + this.siteURL = ExtISPyB.sites[0].url; + this.site = ExtISPyB.sites[0]; + this.icon = ExtISPyB.sites[0].icon; + } + } + + return Ext.create('Ext.form.Panel', { + bodyPadding: 5, + width: 370, + layout: 'vbox', + defaults: { + anchor: '90%' + }, + // The fields + defaultType: 'textfield', + items: [ + { + xtype: 'container', + layout: 'hbox', + items: [ + this.getIconForm(), + this.getAuthenticationForm()] + } + ], + buttons: [ { + text: 'Login', + formBind: true, + disabled: true, + handler: function() { + var form = this.up('form').getForm(); + var exiUrl; + var properties = null; + + if (!_this.singleSite){ + _this.siteURL = form.getFieldValues().site; + } + + for (var i =0; i< ExtISPyB.sites.length; i++){ + if (ExtISPyB.sites[i].url == _this.siteURL){ + properties = ExtISPyB.sites[i]; + } + } + + + _this.onAuthenticate.notify({ + user : form.getFieldValues().user, + password : form.getFieldValues().password, + site : _this.siteURL, + exiUrl : properties.exiUrl, + properties : properties + }); + + } + }] + }); +}; + + + + + +/** +* Renders a panel that contains a puck widget and two buttons +* +* @class ContainerParcelPanel +* @constructor +*/ +function ContainerParcelPanel(args) { + this.id = BUI.id(); + this.height = 220; + this.containerId = 0; + this.shippingId = 0; + this.shippingStatus = ""; + this.withoutCollection = true; + this.type = "Puck"; + this.data = {puckType : "Unipuck", + mainRadius : this.height*0.75*0.9/2, + xMargin : this.width/2 - this.height*0.9/2, + yMargin : 2.5, + code : "", + enableMouseOver : true, + enableClick : true, + enableMainClick : true, + enableMainMouseOver : true, + containerId : 0 + }; + this.width = 2*this.data.mainRadius + 20; + this.container = new ContainerWidget(this.data); + + if (args != null) { + if (args.height != null) { + this.height = args.height; + this.data.mainRadius = this.height*0.75*0.9/2; + this.width = 2*this.data.mainRadius + 20; + this.data.xMargin = this.width/2 - this.data.mainRadius; + } + if (args.width != null) { + this.width = args.width; + this.data.xMargin = this.width/2 - this.data.mainRadius; + } + if (args.containerId != null) { + this.containerId = args.containerId; + this.data.containerId = this.containerId; + } + if (args.shippingId != null) { + this.shippingId = args.shippingId; + } + if (args.shippingStatus != null) { + this.shippingStatus = args.shippingStatus; + } + if (args.code != null) { + this.data.code = args.code; + } + if (args.type != null) { + if ((["Puck","StockSolution","OTHER","PLATE"]).indexOf(args.type) >= 0){ + this.type = args.type; + } else { + this.type = "Puck"; + } + } + if (args.capacity != null) { + if (args.capacity != 16) { + this.data.puckType = "Spinepuck"; + } + } + } + + this.onContainerRemoved = new Event(this); + +}; + +/** +* Returns the panel containing the container and the buttons +* +* @class load +* @return The panel containing the container and the buttons +*/ +ContainerParcelPanel.prototype.getPanel = function () { + var _this = this; + this.container = new ContainerWidget(this.data); + if (this.type == "Puck"){ + this.container = new PuckWidgetContainer(this.data); + } else if (this.type == "StockSolution") { + this.data.stockSolutionId = this.containerId; + this.container= new StockSolutionContainer(this.data); + } + + this.container.onClick.attach(function (sender, id) { + var code = _this.data.code; + if (code == "") { + code = "-"; + } + + var window = Ext.create('Ext.window.Window', { + title: 'Container', + width: 250, + layout: 'fit', + modal : true, + items: [ + { + html : '
Code: ' + code + '
Select one of the options below:
', + } + ], + buttons : [ { + text : 'Edit', + handler : function() { + if (_this.type == "StockSolution") { + location.href = "#/stocksolution/" + _this.containerId + "/main"; + } else if (_this.type == "OTHER") { + _this.openEditOtherContainerForm(); + } else { + location.href = "#/shipping/" + _this.shippingId + "/" + _this.shippingStatus + "/containerId/" + _this.containerId + "/edit"; + } + window.close(); + } + },{ + text : 'Remove', + disabled : _this.shippingStatus == "processing", + handler : function() { + _this.removeButtonClicked(); + window.close(); + } + }, { + text : 'Cancel', + handler : function() { + window.close(); + } + } ] + }); + window.show(); + }); + + this.container.onMouseOver.attach(function(sender, container){ + container.focus(true); + }); + + this.container.onMouseOut.attach(function(sender, container){ + container.focus(false); + }); + + var containerPanelHeight = 2*this.data.mainRadius + 5; + + this.containerPanel = Ext.create('Ext.panel.Panel', { + // cls : 'border-grid', + width : this.width, + height : containerPanelHeight, + items : [this.container.getPanel()] + }); + + this.panel = Ext.create('Ext.panel.Panel', { + // cls : 'border-grid', + layout: { + type: 'vbox', + align: 'center', + pack: 'center' + }, + width : this.width, + height : this.height, + items : [ + this.containerPanel + ] + }); + + if (this.height >= 45) { + this.panel.insert({ + html : "
" + this.data.code + "
", + height : this.height*0.25, + width : this.width + }); + } + + return this.panel; +}; + +/** +* Loads the container with the given samples +* +* @class load +* @return +*/ +ContainerParcelPanel.prototype.load = function (samples) { + this.containerPanel.removeAll(); + this.containerPanel.add(this.container.getPanel()); + if (samples.length > 0){ + this.container.loadSamples(samples); + if (!this.container.containerId) { + this.container.containerId = this.containerId; + } + // this.shippingId = samples[0].Shipping_shippingId; + } + var withoutCollection = _.filter(samples,{DataCollectionGroup_dataCollectionGroupId : null}); + if (withoutCollection.length < samples.length) { + this.withoutCollection = false; + } +}; + +/** +* Removes the puck from the database +* +* @class removePuck +* @return +*/ +ContainerParcelPanel.prototype.removePuck = function() { + this.panel.setLoading(); + if (this.type == "StockSolution") { + this.onContainerRemoved.notify(this.containerId); + } else { + var _this = this; + var onSuccess = function(sender, data){ + _this.panel.setLoading(false); + _this.onContainerRemoved.notify(_this.containerId); + }; + var containerId = this.containerId; + EXI.getDataAdapter({onSuccess: onSuccess}).proposal.shipping.removeContainerById(containerId,containerId,containerId ); + } +}; + +ContainerParcelPanel.prototype.removeButtonClicked = function () { + var _this = this; + function showResult(result){ + if (result == "yes"){ + _this.removePuck(); + } + } + Ext.MessageBox.show({ + title:'Remove', + msg: 'Removing a container from this parcel will remove also its content.
Are you sure you want to continue?', + buttons: Ext.MessageBox.YESNO, + fn: showResult, + animateTarget: 'mb4', + icon: Ext.MessageBox.QUESTION + }); +}; + +ContainerParcelPanel.prototype.openEditOtherContainerForm = function () { + var _this = this; + /** Opens a window with the cas form **/ + var otherContainerForm = new OtherContainerForm(); + otherContainerForm.onSave.attach(function(sender,container){ + $("#" + _this.id + "-name").html(container.code); + _this.container.samples = container.sampleVOs; + _this.container.capacity = container.capacity; + window.close(); + }) + + otherContainerForm.onCancel.attach(function(sender){ + window.close(); + }) + + var window = Ext.create('Ext.window.Window', { + title: 'Container', + height: 600, + width: 1500, + modal : true, + layout: 'fit', + items: [ + otherContainerForm.getPanel() + ], + listeners : { + afterrender : function(component, eOpts) { + otherContainerForm.load(_this.container); + } + }, + }); + window.show(); +} +function ContainerTypeComboBox(args) { + this.id = BUI.id(); + + this.label = "Choose Container Type:"; + this.labelWidth = 200; + this.width = 500; + this.initDisabled = false; + + this.data = [ + {"type":"UNIPUCK", "capacity":16}, + {"type":"SPINE", "capacity":10}, + {"type":"PLATE", "capacity":96} + ] + + if (args) { + if (args.label) { + this.label = args.label; + } + if (args.labelWidth) { + this.labelWidth = args.labelWidth; + } + if (args.width) { + this.width = args.width; + } + if (args.extraOptions != null) { + this.data = _.union(this.data, args.extraOptions); + } + if (args.initDisabled != null){ + this.initDisabled = args.initDisabled; + } + } + this.onSelected = new Event(this); +} + +ContainerTypeComboBox.prototype.getPanel = function () { + var _this = this; + + var types = Ext.create('Ext.data.Store', { + fields: ['type','capacity'], + data : this.data + }); + + this.panel = Ext.create('Ext.form.ComboBox', { + layout:'fit', + margin : '5 0 5 5', + fieldLabel: this.label, + store: types, + labelStyle: 'padding:5px', + labelWidth : this.labelWidth, + displayField: 'type', + value:'UNIPUCK', + width: this.width, + disabled : this.initDisabled + }); + + this.panel.on('select', function(capacityCombo, record){ + _this.onSelected.notify(record[0].data); + }); + + return this.panel; +}; + +ContainerTypeComboBox.prototype.getValue = function () { + return this.panel.getValue(); +}; + - if (ExtISPyB.sites){ - if (ExtISPyB.sites.length == 1){ - /** Only a single site so we can show the icon */ - this.singleSite = true; - this.siteURL = ExtISPyB.sites[0].url; - this.site = ExtISPyB.sites[0]; - this.icon = ExtISPyB.sites[0].icon; - } +ContainerTypeComboBox.prototype.getSelectedType = function () { + var type = this.panel.getValue(); + if (type == "UNIPUCK" || type == "SPINE") { + type = "Puck"; } - - return Ext.create('Ext.form.Panel', { - bodyPadding: 5, - width: 370, - layout: 'vbox', - defaults: { - anchor: '90%' - }, - // The fields - defaultType: 'textfield', - items: [ - { - xtype: 'container', - layout: 'hbox', - items: [ - this.getIconForm(), - this.getAuthenticationForm()] - } - ], - buttons: [ { - text: 'Login', - formBind: true, - disabled: true, - handler: function() { - var form = this.up('form').getForm(); - var exiUrl; - var properties = null; - - if (!_this.singleSite){ - _this.siteURL = form.getFieldValues().site; - } - - for (var i =0; i< ExtISPyB.sites.length; i++){ - if (ExtISPyB.sites[i].url == _this.siteURL){ - properties = ExtISPyB.sites[i]; - } - } - - - _this.onAuthenticate.notify({ - user : form.getFieldValues().user, - password : form.getFieldValues().password, - site : _this.siteURL, - exiUrl : properties.exiUrl, - properties : properties - }); + return type; +}; - } - }] - }); +ContainerTypeComboBox.prototype.getSelectedCapacity = function () { + return _.filter(this.data,{"type" : this.getValue()})[0]["capacity"]; }; +ContainerTypeComboBox.prototype.getTypeByCapacity = function (capacity) { + return _.filter(this.data,{"capacity" : capacity})[0]["type"]; +}; + +ContainerTypeComboBox.prototype.setValue = function (capacity) { + var type = this.getTypeByCapacity(capacity); + this.panel.setValue(type); +}; + +ContainerTypeComboBox.prototype.enable = function () { + this.panel.enable(); +} +function ContainerWidget(args) { + this.id = BUI.id(); + + this.templateData = { + id : this.id, + xmargin : 0, + ymargin : 0, + mainRadius : 50, + width : 100, + height : 100, + r : 20, + enableMainClick : false, + enableMainMouseOver : false, + }; + this.containerId = 0; + this.samples = null; + this.code = ""; + + if (args){ + if (args.code){ + this.code = args.code; + } + if (args.containerId){ + this.containerId = args.containerId; + } + if (args.xMargin){ + this.templateData.xMargin = args.xMargin; + } + if (args.yMargin){ + this.templateData.yMargin = args.yMargin; + } + if (args.enableMainClick != null){ + this.templateData.enableMainClick = args.enableMainClick; + } + if (args.enableMainMouseOver != null){ + this.templateData.enableMainMouseOver = args.enableMainMouseOver; + } + if (args.mainRadius){ + this.templateData.mainRadius = args.mainRadius; + this.templateData.width = 2*args.mainRadius; + this.templateData.height = 2*args.mainRadius; + this.templateData.r = args.mainRadius/5; + } + } + + this.onClick = new Event(this); + this.onMouseOver = new Event(this); + this.onMouseOut = new Event(this); +}; + +ContainerWidget.prototype.getPanel = function () { + + var _this = this; + + this.panel = Ext.create('Ext.panel.Panel', { + id: this.id + "-container", + x: this.templateData.xMargin, + y: this.templateData.yMargin, + width : this.templateData.width + 1, + height : this.templateData.height + 1, + // cls:'border-grid', + frame: false, + border: false, + bodyStyle: 'background:transparent;', + + items : [ + { + html : this.getSVG(), + width : this.templateData.width + 1, + height : this.templateData.height + 1 + } + ], + + }); + this.panel.on('boxready', function() { + if(_this.templateData.enableMainClick) { + $("#" + _this.id).unbind('click').click(function(sender){ + _this.onClick.notify(sender.target.id); + }); + } + if(_this.templateData.enableMainMouseOver) { + $("#" + _this.id).unbind('mouseover').mouseover(function(sender){ + _this.onMouseOver.notify(_this); + }); + + $("#" + _this.id).unbind('mouseout').mouseout(function(sender){ + _this.onMouseOut.notify(_this); + }); + } + }); + + return this.panel; + +}; +ContainerWidget.prototype.loadSamples = function (samples) { + this.samples = samples; + if (samples){ + if (samples.length > 0){ + this.containerId = samples[0].Container_containerId; + } + } +}; +ContainerWidget.prototype.getSVG = function (samples) { + var html = ""; + dust.render("container.widget.template", this.templateData, function(err, out){ + html = out; + }); + + return html; +}; +ContainerWidget.prototype.focus = function (bool) { + if (bool){ + $("#" + this.id).addClass("puck-selected"); + } else { + $("#" + this.id).removeClass("puck-selected"); + } +}; function CurvePlotter(args) { this.id = BUI.id(); @@ -5616,10 +7761,20 @@ AutoProcIntegrationCurvePlotter.prototype.getPanel = function() { * @constructor */ function ParcelPanel(args) { + var _this = this; + + this.test="A"; this.id = BUI.id(); this.height = 500; this.width = 500; - this.pucksPanelHeight = 200; + this.index = 0; + this.containersPanelHeight = 400; + this.containersPanelWidth = this.width*9/12 - 30; + this.containersParcelWidth = 2*this.containersPanelHeight*0.9/2 + 20; + // this.containersParcelWidth = 2*this.containersPanelHeight*0.2 + 20; + this.shippingId = 0; + this.shippingStatus = ""; + this.containersPanel = null; this.isSaveButtonHidden = false; this.isHidden = false; @@ -5627,134 +7782,244 @@ function ParcelPanel(args) { if (args != null) { if (args.height != null) { this.height = args.height; + this.containersPanelHeight = this.height*0.9; + this.containersParcelWidth = 2*this.containersPanelHeight*0.9/2 + 20; } if (args.width != null) { this.width = args.width; + this.containersPanelWidth = this.width*9/12 - 30; + } + if (args.index != null) { + this.index = args.index; + } + if (args.shippingId != null) { + this.shippingId = args.shippingId; + } + if (args.shippingStatus != null) { + this.shippingStatus = args.shippingStatus; } } this.onSavedClick = new Event(this); + } -/** -* It inserts a panel into the this.panel with the template parcelformsummary -* -* @method addHeaderPanel -*/ -ParcelPanel.prototype.addHeaderPanel = function() { - var html = "No information"; - dust.render("parcel.header.shipping.template", this.dewar, function(err, out){ +ParcelPanel.prototype.load = function(dewar, shipment) { + var _this = this; + this.dewar = dewar; + this.dewar.index = this.index; + this.shipment = shipment; + + /** Loading the template **/ + var html = ""; + dust.render("parcel.panel.template", {id : this.id, dewar : this.dewar, height : this.height, width : this.width}, function(err, out){ html = out; - }); - - this.panel.add(0, - { - // cls : 'border-grid', - xtype : 'container', - // width : this.width - 50, - border : 1, - padding : 1, - items : { - xtype : 'container', - layout : 'hbox', - items : _.concat(this._getTopButtons(), - {html : html, margin : 12}) - } - } - ); + }); + + /** Setting click listeners **/ + $('#' + this.id).hide().html(html).fadeIn("fast"); + this.panel.doLayout(); + + if (this.shippingStatus != "processing"){ + $("#" + this.id + "-add-button").removeClass("disabled"); + $("#" + this.id + "-add-button").click(function () { + _this.showAddContainerForm(); + }); + + $("#" + this.id + "-edit-button").removeClass("disabled"); + $("#" + this.id + "-edit-button").click(function () { + _this.showCaseForm(); + }); + } + + $("#" + this.id + "-print-button").click(function () { + var dewarId = _this.dewar.dewarId; + var url = EXI.getDataAdapter().proposal.shipping.getDewarLabelURL(dewarId, dewarId); + location.href = url; + return; + }); + + this.containersPanel = Ext.create('Ext.panel.Panel', { + id : this.id + "-containers-panel", + // layout : 'hbox', + cls : "border-grid-light", + margin : this.height*0.0 + ' 0 ' + this.height*0.05 + ' 0', + width : this.containersPanelWidth, + height : this.containersPanelHeight, + autoScroll : false, + items : [], + renderTo : this.id + "-container-panel-div", + }); + + /** Set parameters **/ + this.renderShipmentParameters(dewar); + + /** Rendering pucks **/ + this.renderPucks(dewar); }; -ParcelPanel.prototype.render = function() { - var _this = this; +ParcelPanel.prototype.renderShipmentParameters = function (dewar) { + var html = ""; + dust.render("parcel.panel.parameter.table.template", {id : this.id, dewar : dewar, height : this.height}, function(err, out){ + html = out; + }); - var dewar = this.dewar; - this.panel.removeAll(); - this.addHeaderPanel(); - + $('#' + this.id + "-parameters-div").hide().html(html).fadeIn("fast"); + if (dewar.comments != "" && dewar.comments != null) { + $('#' + this.id + "-comments").hide().html("Comments: " + dewar.comments).fadeIn("fast"); + $('#' + this.id + "-index-td").attr('rowspan',2); + $('#' + this.id + "-buttons-td").attr('rowspan',2); + this.panel.setHeight(this.height + 25); + } else { + this.panel.setHeight(this.height); + $('#' + this.id + "-index-td").attr('rowspan',1); + $('#' + this.id + "-buttons-td").attr('rowspan',1); + } + this.panel.doLayout(); +}; + +ParcelPanel.prototype.renderPucks = function (dewar) { + var _this = this; + + this.containersPanel.setLoading(false); if (dewar != null){ if (dewar.containerVOs != null){ - var pucksPanel = Ext.create('Ext.panel.Panel', { - layout : 'hbox', - cls : "border-grid", - margin: '0 0 0 6px', - width : this.width - 15, - height : this.pucksPanelHeight + 20, - autoScroll : true, - items : [] - }); + this.containersPanel.removeAll(); + var stockSolutions = EXI.proposalManager.getStockSolutionsByDewarId(dewar.dewarId); - this.panel.add(pucksPanel); + if (dewar.containerVOs.length) + var maxNumberForRow = Math.floor(this.containersPanel.width/this.containersParcelWidth); + if (maxNumberForRow == null){ + maxNumberForRow = Math.floor(this.containersPanel.width/this.containersParcelWidth); + } + var rows = Math.ceil((this.dewar.containerVOs.length + stockSolutions.length)/maxNumberForRow); + var containerRows = []; + for (var i = 0 ; i < rows ; i++) { + var containerRow = Ext.create('Ext.panel.Panel', { + layout : 'hbox', + // cls : "border-grid", + // margin : this.height*0.05 + ' 0 0 0', + width : this.containersPanelWidth, + height : this.containersPanelHeight/rows, + autoScroll : false, + items : [] + }); + containerRows.push(containerRow); + this.containersPanel.insert(containerRow); + } + + /** Sorting container by id **/ dewar.containerVOs.sort(function(a, b){return a.containerId - b.containerId;}); - var puckPanelsMap = {}; - var containerIds = []; - + var containerPanelsMap = {}; + var containerIds = []; + for (var i = 0; i< dewar.containerVOs.length; i++){ var container = dewar.containerVOs[i]; - var puckPanel = new PuckParcelPanel({height : this.pucksPanelHeight , containerId : container.containerId, capacity : container.capacity, code : container.code}); - puckPanel.onPuckRemoved.attach(function (sender, containerId) { - _.remove(_this.dewar.containerVOs, {containerId: containerId}); - _this.load(_this.dewar); - }); - puckPanel.onPuckSaved.attach(function (sender, puck) { - _.remove(_this.dewar.containerVOs, {containerId: puck.containerId}); - _this.dewar.containerVOs.push(puck); - _this.load(_this.dewar); - }); - puckPanelsMap[container.containerId] = puckPanel; - containerIds.push(container.containerId); - pucksPanel.insert(puckPanel.getPanel()); + var containerParcelPanel = new ContainerParcelPanel({type : container.containerType, height : this.containersPanelHeight/rows, width : this.containersParcelWidth,containerId : container.containerId, shippingId : this.shippingId, shippingStatus : this.shippingStatus, capacity : container.capacity, code : container.code}); + containerParcelPanel.onContainerRemoved.attach(function (sender, containerId) { + _.remove(_this.dewar.containerVOs, {containerId: containerId}); + _this.renderPucks(_this.dewar); + }); + containerPanelsMap[container.containerId] = containerParcelPanel; + containerIds.push(container.containerId); + + containerRows[Math.floor(i/maxNumberForRow)].insert(containerParcelPanel.getPanel()); + } + + for (var i = 0; i< stockSolutions.length; i++){ + $('#hoveringTooltipDiv-' + stockSolutions[i].stockSolutionId).remove(); + var containerParcelPanel = new ContainerParcelPanel({type : "StockSolution", height : this.containersPanelHeight/rows, width : this.containersParcelWidth,containerId : stockSolutions[i].stockSolutionId, shippingId : this.shippingId, shippingStatus : this.shippingStatus, code : stockSolutions[i].name}); + containerPanelsMap[stockSolutions[i].boxId] = containerParcelPanel; + containerIds.push(stockSolutions[i].boxId); + containerParcelPanel.onContainerRemoved.attach(function (sender, stockSolutionId) { + var stockSolution = EXI.proposalManager.getStockSolutionById(stockSolutionId); + stockSolution.boxId = null; + + var onSuccess = function(sender, container){ + EXI.proposalManager.get(true); + _this.renderPucks(_this.dewar); + }; + + EXI.getDataAdapter({onSuccess : onSuccess}).saxs.stockSolution.saveStockSolution(stockSolution); + }); + + containerRows[Math.floor((i + dewar.containerVOs.length)/maxNumberForRow)].insert(containerParcelPanel.getPanel()); } - - if (!_.isEmpty(puckPanelsMap)) { - - var onSuccess = function (sender, samples) { - if (samples) { - var samplesMap = {}; - for (var i = 0 ; i < samples.length ; i++) { - var sample = samples[i]; - if (samplesMap[sample.Container_containerId]){ - samplesMap[sample.Container_containerId].push(sample); - } else { - samplesMap[sample.Container_containerId] = [sample]; - } - } - _.each(samplesMap, function(samples, containerId) { - puckPanelsMap[containerId].load(samples); - }); - } - } - EXI.getDataAdapter({onSuccess : onSuccess}).mx.sample.getSamplesByContainerId(containerIds); - } - } - } -}; + if (!_.isEmpty(containerPanelsMap)) { + + var onSuccess = function (sender, samples) { + if (samples) { + var samplesMap = {}; + for (var i = 0 ; i < samples.length ; i++) { + var sample = samples[i]; + if (samplesMap[sample.Container_containerId]){ + samplesMap[sample.Container_containerId].push(sample); + } else { + samplesMap[sample.Container_containerId] = [sample]; + } + } + _.each(samplesMap, function(samples, containerId) { + containerPanelsMap[containerId].load(samples); + }); + } + } -ParcelPanel.prototype.load = function(dewar) { - this.dewar = dewar; - try { - /** Rendering pucks **/ - this.render(); - } - catch(e){ - console.log(e); + EXI.getDataAdapter({onSuccess : onSuccess}).mx.sample.getSamplesByContainerId(containerIds); + } + } } -}; +} /** -* It inserts a new puck into the dewar and reloads the widget +* It inserts a new container into the dewar and reloads the widget * -* @method addPuckToDewar +* @method addContainerToDewar */ -ParcelPanel.prototype.addPuckToDewar = function() { +ParcelPanel.prototype.addContainerToDewar = function(containerVO) { var _this = this; - var onSuccess = function(sender, puck){ - _this.dewar.containerVOs.push(puck); - _this.load(_this.dewar); - }; - EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.addPuck(this.dewar.dewarId, this.dewar.dewarId); + this.containersPanel.setLoading(); + if (containerVO.containerType == "STOCK SOLUTION"){ + var stockSolution = EXI.proposalManager.getStockSolutionById(containerVO.data.stockSolutionId); + stockSolution.boxId = this.dewar.dewarId; + if (containerVO.code != "") { + stockSolution.name = containerVO.code; + } + var onSuccess = function(sender, container){ + EXI.proposalManager.get(true); + _this.renderPucks(_this.dewar); + }; + + EXI.getDataAdapter({onSuccess : onSuccess}).saxs.stockSolution.saveStockSolution(stockSolution); + } else { + var onSuccess = function(sender, container){ + container.code = containerVO.code; + container.containerStatus = _this.dewar.dewarStatus; + container.sampleChangerLocation = _this.dewar.storageLocation; + if (_this.shipment) { + if (_this.shipment.sessions && _this.shipment.sessions.length > 0) { + container.beamlineLocation = _this.shipment.sessions[0].beamlineName; + } + } + container.sampleVOs = []; + _this.dewar.containerVOs.push(container); + + var onSaveSuccess = function (sender) { + _this.renderPucks(_this.dewar); + } + var onError = function(sender,error) { + EXI.setError(error.responseText); + _this.renderPucks(_this.dewar); + }; + + EXI.getDataAdapter({onSuccess : onSaveSuccess, onError : onError}).proposal.shipping.saveContainer(_this.shippingId, _this.dewar.dewarId, container.containerId, container); + }; + + EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.addContainer(this.shippingId, this.dewar.dewarId, containerVO.containerType, containerVO.capacity); + + } }; /** @@ -5775,19 +8040,19 @@ ParcelPanel.prototype.showCaseForm = function() { items: [ caseForm.getPanel(_this.dewar) ], - listeners : { - afterrender : function(component, eOpts) { - if (_this.puck != null){ - _this.render(_this.puck); - } - } - }, + // listeners : { + // afterrender : function(component, eOpts) { + // if (_this.puck != null){ + // _this.load(_this.puck); + // } + // } + // }, buttons : [ { text : 'Save', handler : function() { _this.onSavedClick.notify(caseForm.getDewar()); - _this.render(); window.close(); + _this.renderShipmentParameters(_this.dewar); } }, { text : 'Cancel', @@ -5799,78 +8064,55 @@ ParcelPanel.prototype.showCaseForm = function() { window.show(); }; -ParcelPanel.prototype._getTopButtons = function() { +/** +* It displays a window with an adding container form +* +* @method showAddContainerForm +*/ +ParcelPanel.prototype.showAddContainerForm = function() { var _this = this; - var actions = []; - - - // actions.push(this.code); - // actions.push(this.status); - // actions.push(this.storageCondition); - - actions.push(Ext.create('Ext.Button', { - icon : '../images/icon/edit.png', - text : 'Edit', - cls : 'x-btn x-unselectable x-box-item x-toolbar-item x-btn-default-toolbar-small x-icon-text-left x-btn-icon-text-left x-btn-default-toolbar-small-icon-text-left', - margin : 5, - disabled : false, - handler : function(widget, event) { - _this.showCaseForm(); - } - })); - - actions.push(Ext.create('Ext.Button', { - icon : '../images/print.png', - text : 'Print Labels', - cls : 'x-btn x-unselectable x-box-item x-toolbar-item x-btn-default-toolbar-small x-icon-text-left x-btn-icon-text-left x-btn-default-toolbar-small-icon-text-left', - margin : 5, - disabled : false, - handler : function(widget, event) { - var dewarId = _this.dewar.dewarId; - var url = EXI.getDataAdapter().proposal.shipping.getDewarLabelURL(dewarId, dewarId); - location.href = url; - return; - } - })); - - actions.push(Ext.create('Ext.Button', { - icon : '../images/icon/add.png', - text : 'Add puck', - cls : 'x-btn x-unselectable x-box-item x-toolbar-item x-btn-default-toolbar-small x-icon-text-left x-btn-icon-text-left x-btn-default-toolbar-small-icon-text-left', - margin : 5, - disabled : false, - handler : function(widget, event) { - _this.addPuckToDewar(); - } - })); - - return actions; + /** Opens a window with the cas form **/ + var addContainerForm = new AddContainerForm(); + + addContainerForm.onSave.attach(function(sender,container){ + _this.addContainerToDewar(container); + window.close(); + }) + + addContainerForm.onCancel.attach(function(sender){ + window.close(); + }) + + var window = Ext.create('Ext.window.Window', { + title: 'Container', + height: 450, + width: 600, + modal : true, + layout: 'fit', + items: [ + addContainerForm.getPanel(_this.dewar) + ], + }); + window.show(); }; - ParcelPanel.prototype.getPanel = function() { - var _this = this; - - this.panel = Ext.create('Ext.panel.Panel', { + this.panel = Ext.create("Ext.panel.Panel",{ cls : "border-grid", margin : 10, height : this.height, width : this.width, - autoScroll : true, - items : [], + autoScroll : false, + items : [{ + html : '
', + autoScroll : false, + padding : this.padding, + width : this.width + }] }); - // this.panel.addDocked({ - // id : _this.id + 'tbar', - // height : 45, - // xtype : 'toolbar', - // items : _this._getTopButtons(), - // cls : 'exi-top-bar' - // }); - return this.panel; }; - function ProposalGrid(args) { this.height = 500; this.tbar = false; @@ -6014,214 +8256,6 @@ ProposalGrid.prototype.getPanel = function() { -/** -* Renders a panel that contains a puck widget and two buttons -* -* @class PuckParcelPanel -* @constructor -*/ -function PuckParcelPanel(args) { - this.height = 220; - this.containerId = 0; - this.code = ""; - this.data = {puckType : "Unipuck", - mainRadius : this.height*0.3, - xMargin : this.width/2 - this.height*0.3, - yMargin : 2.5, - enableMouseOver : true - }; - this.width = 2*this.data.mainRadius + 20; - - if (args != null) { - if (args.height != null) { - this.height = args.height; - this.data.mainRadius = this.height*0.3; - this.width = 2*this.data.mainRadius + 20; - this.data.xMargin = this.width/2 - this.data.mainRadius; - } - if (args.width != null) { - this.width = args.width; - } - if (args.containerId != null) { - this.containerId = args.containerId; - } - if (args.code != null) { - this.code = args.code; - } - if (args.capacity != null) { - if (args.capacity != 16) { - this.data.puckType = "Spinepuck"; - } - } - } - - this.onPuckRemoved = new Event(this); - this.onPuckSaved = new Event(this); - -}; - -/** -* Returns the panel containing the puck and the buttons -* -* @class load -* @return The panel containing the puck and the buttons -*/ -PuckParcelPanel.prototype.getPanel = function () { - - this.puck = new PuckWidgetContainer(this.data); - - this.puckPanel = Ext.create('Ext.panel.Panel', { - width : this.width, - height : 2*this.data.mainRadius + 5, - items : [this.puck.getPanel()] - }); - - this.panel = Ext.create('Ext.panel.Panel', { - // cls : 'border-grid', - width : this.width, - height : this.height, - items : [{ - html : this.getCodeHeader(), - margin : 5, - x : this.data.xMargin - }, - this.puckPanel, - this.getButtons()] - }); - - return this.panel; -}; - -/** -* Loads the puck with the given samples -* -* @class load -* @return -*/ -PuckParcelPanel.prototype.load = function (samples) { - this.puck = new PuckWidgetContainer(this.data); - this.puckPanel.removeAll(); - this.puckPanel.add(this.puck.getPanel()); - - this.puck.loadSamples(samples); - this.containerId = this.puck.puckWidget.containerId; -}; - -/** -* Returns a panel with the buttons -* -* @class getCodeHeader -* @return The html of the code header -*/ -PuckParcelPanel.prototype.getCodeHeader = function () { - var templateData = {info : [{ - text : 'Code:', - value : this.code - }] - } - var html = ""; - dust.render("info.grid.template", templateData, function(err, out){ - html = out; - }); - return html; -}; - - -/** -* Returns a panel with the buttons -* -* @class getButtons -* @return A panel with the buttons -*/ -PuckParcelPanel.prototype.getButtons = function () { - var _this = this; - - this.buttons = Ext.create('Ext.panel.Panel', { - layout: { - type: 'hbox', - align: 'middle', - pack: 'center' - }, - width : this.width, - items : [ - { - xtype: 'button', - margin : 5, - icon : '../images/icon/edit.png', - handler : function(widget, e) { - var puckForm = new PuckForm({ - width : Ext.getBody().getWidth() - 150 - }); - - puckForm.onRemoved.attach(function(sender, containerId){ - _this.onPuckRemoved.notify(containerId); - window.close(); - }); - puckForm.onSaved.attach(function(sender, puck){ - _this.onPuckSaved.notify(puck); - window.close(); - }); - var window = Ext.create('Ext.window.Window', { - title: 'Edit Puck', - height: 700, - width: Ext.getBody().getWidth() - 100, - modal : true, - resizable : true, - layout: 'fit', - items: puckForm.getPanel() - }).show(); - - if (_this.containerId != null){ - var onSuccess = function(sender, puck){ - puckForm.load(puck); - }; - EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.getContainerById(_this.containerId,_this.containerId,_this.containerId); - } - } - },{ - xtype: 'button', - margin : 5, - cls:'btn-remove', - icon : '../images/icon/ic_highlight_remove_black_24dp.png', - handler: function(){ - function showResult(result){ - if (result == "yes"){ - _this.removePuck(); - } - } - Ext.MessageBox.show({ - title:'Remove', - msg: 'Removing a puck from this parcel will remove also its content.
Are you sure you want to continue?', - buttons: Ext.MessageBox.YESNO, - fn: showResult, - animateTarget: 'mb4', - icon: Ext.MessageBox.QUESTION - }); - } - } - ] - }); - - return this.buttons; -}; - -/** -* Removes the puck from the database -* -* @class removePuck -* @return -*/ -PuckParcelPanel.prototype.removePuck = function() { - var _this = this; - this.panel.setLoading(); - var onSuccess = function(sender, data){ - _this.panel.setLoading(false); - _this.onPuckRemoved.notify(_this.containerId); - }; - var containerId = this.containerId; - EXI.getDataAdapter({onSuccess: onSuccess}).proposal.shipping.removeContainerById(containerId,containerId,containerId ); - -}; function SessionGrid(args) { this.height = 500; this.tbar = false; @@ -6292,11 +8326,13 @@ function SessionGrid(args) { SessionGrid.prototype.load = function(sessions) { - this.sessions = sessions; - this.store.loadData(sessions, false); + /** Filtering session by the beamlines of the configuration file */ + this.sessions = _.filter(sessions, function(o){ return _.includes(EXI.credentialManager.getBeamlineNames(), o.beamLineName); }); + this.store.loadData(this.sessions, false); }; SessionGrid.prototype.filterByBeamline = function(beamlines) { + console.log(beamlines); if (beamlines){ if (beamlines.length > 0){ var filtered = []; @@ -6319,9 +8355,13 @@ SessionGrid.prototype.getToolbar = function(sessions) { if (selected){ _this.beamlineFilter.push(a.boxLabel); } - else{ - _this.beamlineFilter =_.remove(_this.beamlineFilter,a.boxLabel ); + else{ + + _this.beamlineFilter =_.remove(_this.beamlineFilter, function(n) { + return n != a.boxLabel; + }); } + _this.filterByBeamline(_this.beamlineFilter); }; @@ -6551,11 +8591,279 @@ SessionGrid.prototype.getPanel = function() { -function UploaderWidget(url){ +function StockSolutionContainer(args) { + this.id = BUI.id(); + + this.templateData = { + id : this.id, + xmargin : 0, + ymargin : 0, + mainRadius : 50, + width : 100, + height : 100, + imgH : 42, + imgW : 42, + margin : 15, + stockId : 0, + // rInner : 10, + enableMainClick : false, + code : "", + enableClick : false, + enableMainMouseOver : false + }; + + this.stockSolutionId = 0; + this.samples = null; + this.code = ""; + + if (args){ + if (args.code){ + this.code = args.code; + } + if (args.xMargin){ + this.templateData.xMargin = args.xMargin; + } + if (args.yMargin){ + this.templateData.yMargin = args.yMargin; + } + if (args.enableMainClick != null){ + this.templateData.enableMainClick = args.enableMainClick; + } + if (args.enableMainClick != null){ + this.templateData.enableMainClick = args.enableMainClick; + } + if (args.mainRadius){ + this.templateData.mainRadius = args.mainRadius; + this.templateData.width = 2*args.mainRadius; + this.templateData.height = 2*args.mainRadius; + this.templateData.imgH = this.templateData.height*0.7; + this.templateData.imgW = this.templateData.width*0.7; + this.templateData.margin = (this.templateData.width - this.templateData.imgW)*0.5; + } + if (args.code) { + this.templateData.code = args.code; + } + if (args.enableClick != null) { + this.templateData.enableClick = args.enableClick; + } + if (args.stockSolutionId) { + this.stockSolutionId = args.stockSolutionId; + var stockSolution = EXI.proposalManager.getStockSolutionById(this.stockSolutionId); + this.templateData.macromoleculeAcronym = EXI.proposalManager.getMacromoleculeById(stockSolution.macromoleculeId).acronym; + this.templateData.buffer = EXI.proposalManager.getBufferById(stockSolution.bufferId).acronym; + this.templateData.stockId = this.stockSolutionId; + } + } + + this.onClick = new Event(this); + this.onMouseOver = new Event(this); + this.onMouseOut = new Event(this); +}; + +StockSolutionContainer.prototype.getPanel = function () { + + var _this = this; + + this.panel = Ext.create('Ext.panel.Panel', { + id: this.id + "-container", + x: this.templateData.xMargin, + y: this.templateData.yMargin, + width : this.templateData.width + 1, + height : this.templateData.height + 1, + cls:'border-grid', + frame: false, + border: false, + bodyStyle: 'background:transparent;', + + items : [ + { + html : this.getHTML(), + width : this.templateData.width + 1, + height : this.templateData.height + 1 + } + ], + + }); + + this.panel.on('boxready', function() { + if(_this.templateData.enableMainClick) { + $("#" + _this.id).unbind('click').click(function(sender){ + _this.onClick.notify(sender.target.id); + }); + } + _this.setOnMouseOverEvent(); + }); + + return this.panel; + +}; + +StockSolutionContainer.prototype.loadSamples = function (samples) { + this.samples = samples; + if (samples){ + if (samples.length > 0){ + this.containerId = samples[0].Container_containerId; + } + } +}; + +StockSolutionContainer.prototype.getHTML = function (samples) { + var html = ""; + if (this.templateData.height < 40) { + this.templateData.fillPanel = false; + } else { + this.templateData.fillPanel = true; + } + dust.render("stock.solution.container.template", this.templateData, function(err, out){ + html = out; + }); + + return html; +}; + +StockSolutionContainer.prototype.setOnMouseOverEvent = function () { + var _this = this; + + $("#" + this.id).unbind('mouseover').mouseover(function(sender){ + _this.onMouseOver.notify(_this); + if (_this.templateData.height < 40){ + var id = sender.currentTarget.id; + $("#" + id).addClass("stock-solution-focus"); + + // TOOLTIP + var tooltipHtml = ""; + dust.render("stock.solution.tooltip.template", _this.templateData, function(err, out) { + tooltipHtml = out; + }); + $('body').append(tooltipHtml); + $('#hoveringTooltipDiv-' + _this.stockSolutionId).css({ + "top" : $(this).offset().top, + "left" : $(this).offset().left + _this.templateData.width + }); + } + }); + + $("#" + this.id).unbind('mouseout').mouseout(function(sender){ + _this.onMouseOut.notify(_this); + if (_this.templateData.height < 40){ + var stockId = sender.currentTarget.id; + $("#" + stockId).removeClass("stock-solution-focus"); + + // TOOLTIP + $('#hoveringTooltipDiv-' + _this.stockSolutionId).remove(); + } + }); + +} + +StockSolutionContainer.prototype.focus = function (bool) { + if (bool){ + $("#" + this.id + "-container").addClass("stock-solution-selected"); + } else { + $("#" + this.id + "-container").removeClass("stock-solution-selected"); + } +}; +/** + * Grid rendering the stock solutions + * + */ +function StockSolutionsGrid(args) { + this.id = BUI.id(); + this.width = 600; + this.padding = 0; + + if (args != null) { + if (args.width != null) { + this.width = args.width; + } + if (args.width != null) { + this.padding = args.padding; + } + } + + this.onSelected = new Event(this); +} + +StockSolutionsGrid.prototype.getPanel = function () { + var _this = this; + this.store = Ext.create('Ext.data.Store', { + storeId:'stockSolutionsGridStore', + fields: ["acronym","buffer","concentration","volume"], + data: [] + }); + + this.panel = Ext.create('Ext.grid.Panel', { + width: this.width, + border: 1, + store: this.store, + disableSelection: false, + flex:0.5, + columns: [ + { + header: 'Acronym', + dataIndex: 'acronym', + type: 'text', + flex: 1, + readOnly: true + }, + { + header: 'Buffer', + dataIndex: 'buffer', + type: 'text', + flex: 1, + readOnly: true + }, + { + header: 'Concentration (mg/ml)', + dataIndex: 'concentration', + type: 'text', + flex: 1, + readOnly: true + }, + { + header: 'Volume (μl)', + dataIndex: 'volume', + type: 'text', + flex: 1, + readOnly: true + } + ], + listeners : { + itemclick: function(grid, record, item, index, e) { + _this.onSelected.notify(record); + } + } + }); + + return this.panel; +} + +StockSolutionsGrid.prototype.load = function (stockSolutions) { + this.stockSolutions = stockSolutions; + var data = []; + for (var i=0 ; i < stockSolutions.length ; i++) { + data.push({ + acronym : EXI.proposalManager.getMacromoleculeById(stockSolutions[i].macromoleculeId).acronym, + buffer : EXI.proposalManager.getBufferById(stockSolutions[i].bufferId).acronym, + concentration : stockSolutions[i].concentration, + volume : stockSolutions[i].volume, + stockSolutionId : stockSolutions[i].stockSolutionId + }); + } + this.store.loadData(data); +} + + +function UploaderWidget(args){ this.id = BUI.id(); - this.url = url; - if (url == null){ + this.url = null; + if (args) { + if (args.url) { + this.url = args.url; + } + } + if (this.url == null){ Ext.Msg.alert('Error', 'Please, set an url'); } @@ -6571,40 +8879,44 @@ UploaderWidget.prototype.getFileName = function(){ UploaderWidget.prototype.getForm = function(){ var _this = this; return Ext.create('Ext.form.Panel', { - width: 400, + layout: { + type: 'hbox', + align: 'stretch' + }, bodyPadding: 20, border : 0, frame: true, - items: [{ - xtype: 'filefield', - name: 'file', - id : this.id, - fieldLabel: 'File', - labelWidth: 50, - msgTarget: 'side', - allowBlank: false, - anchor: '100%', - buttonText: 'Browse...' - }, - { - xtype : 'hiddenfield', - id : _this.id + 'fileName', - name : 'fileName', - value : '' } - ], - - buttons: [{ + items: [ + { + xtype: 'filefield', + name: 'file', + width: 400, + id : this.id, + fieldLabel: 'File', + labelWidth: 30, + msgTarget: 'side', + allowBlank: false, + buttonText: 'Browse...' + }, + // { + // xtype : 'hiddenfield', + // id : _this.id + 'fileName', + // name : 'fileName', + // value : '' + // }, + { + xtype : 'button', + margin: '0 0 0 2', text: 'Upload', handler: function() { var form = this.up('form').getForm(); if(form.isValid()){ - Ext.getCmp(_this.id + "fileName").setValue(_this.getFileName()); + // Ext.getCmp(_this.id + "fileName").setValue(_this.getFileName()); form.submit({ url: _this.url, waitMsg: 'Uploading your file...', success: function(fp, o) { // Ext.Msg.alert('Success', 'Your file has been uploaded.'); - _this.window.close(); _this.onUploaded.notify(); }, @@ -6615,7 +8927,8 @@ UploaderWidget.prototype.getForm = function(){ } }); } } - }] + } + ], }); @@ -6634,6 +8947,4 @@ UploaderWidget.prototype.show = function(){ items: this.getForm() }); this.window.show(); - - }; \ No newline at end of file diff --git a/min/exi.min.css b/min/exi.min.css index 4003ad458..a9bfeb3c9 100644 --- a/min/exi.min.css +++ b/min/exi.min.css @@ -2,7 +2,7 @@ * Bootstrap v3.3.7 (http://getbootstrap.com) * Copyright 2011-2016 Twitter, Inc. * Licensed under MIT (https://github.com/twbs/bootstrap/blob/master/LICENSE) - *//*! normalize.css v3.0.3 | MIT License | github.com/necolas/normalize.css */.label,sub,sup{vertical-align:baseline}hr,img{border:0}body,figure{margin:0}.btn-group>.btn-group,.btn-toolbar .btn,.btn-toolbar .btn-group,.btn-toolbar .input-group,.col-xs-1,.col-xs-10,.col-xs-11,.col-xs-12,.col-xs-2,.col-xs-3,.col-xs-4,.col-xs-5,.col-xs-6,.col-xs-7,.col-xs-8,.col-xs-9,.dropdown-menu{float:left}.btn,div.vis-network div.vis-close{-webkit-user-select:none;-moz-user-select:none}html{font-family:sans-serif;-webkit-text-size-adjust:100%;-ms-text-size-adjust:100%}article,aside,details,figcaption,figure,footer,header,hgroup,main,menu,nav,section,summary{display:block}audio,canvas,progress,video{display:inline-block;vertical-align:baseline}audio:not([controls]){display:none;height:0}[hidden],template{display:none}a{background-color:transparent}a:active,a:hover{outline:0}b,optgroup,strong{font-weight:700}dfn{font-style:italic}h1{margin:.67em 0}mark{color:#000;background:#ff0}sub,sup{position:relative;font-size:75%;line-height:0}sup{top:-.5em}sub{bottom:-.25em}img{vertical-align:middle}svg:not(:root){overflow:hidden}hr{height:0;-webkit-box-sizing:content-box;-moz-box-sizing:content-box;box-sizing:content-box}*,:after,:before,input[type=checkbox],input[type=radio]{-webkit-box-sizing:border-box;-moz-box-sizing:border-box}pre,textarea{overflow:auto}code,kbd,pre,samp{font-size:1em}button,input,optgroup,select,textarea{margin:0;font:inherit;color:inherit}.glyphicon,address{font-style:normal}button{overflow:visible}button,select{text-transform:none}button,html input[type=button],input[type=reset],input[type=submit]{-webkit-appearance:button;cursor:pointer}button[disabled],html input[disabled]{cursor:default}button::-moz-focus-inner,input::-moz-focus-inner{padding:0;border:0}input[type=checkbox],input[type=radio]{box-sizing:border-box;padding:0}input[type=number]::-webkit-inner-spin-button,input[type=number]::-webkit-outer-spin-button{height:auto}input[type=search]::-webkit-search-cancel-button,input[type=search]::-webkit-search-decoration{-webkit-appearance:none}table{border-spacing:0;border-collapse:collapse}td,th{padding:0}/*! 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.year-neighbor{color:#aaa}.calendar .year-neighbor2,.calendar table.month tr td.disabled,.calendar table.month tr td.disabled:hover{color:#ddd}.calendar .months-container{width:100%;display:none}.calendar .month-container{min-width:180px;text-align:center;height:200px;padding:0}.calendar table.month th.month-title{font-size:16px;padding-bottom:5px}.calendar table.month th.day-header{font-size:14px}.calendar table.month tr td,.calendar table.month tr th{padding:0}.calendar table.month td.week-number{cursor:default;font-weight:700;border-right:1px solid #eee;padding:5px}.calendar .round-left{-webkit-border-radius:8px 0 0 8px;-moz-border-radius:8px 0 0 8px;border-radius:8px 0 0 8px}.calendar .round-right{webkit-border-radius:0 8px 8px 0;-moz-border-radius:0 8px 8px 0;border-radius:0 8px 8px 0}.calendar table.month tr td .day-content{-webkit-border-radius:4px;-moz-border-radius:4px;border-radius:4px;padding:5px 6px}.table-striped .calendar table.month tr td,.table-striped .calendar table.month tr th{background-color:transparent}.calendar table.month td.day .day-content:hover{background:rgba(0,0,0,.2);cursor:pointer}.calendar table.month td.day.disabled .day-content:hover,.calendar table.month tr td.new,.calendar table.month tr td.new:hover,.calendar table.month tr td.old,.calendar table.month tr td.old:hover{background:0 0;cursor:default}.calendar table.month tr td.range .day-content{background:rgba(0,0,0,.2);-webkit-border-radius:0;-moz-border-radius:0;border-radius:0}.calendar table.month tr td.range.range-start .day-content{border-top-left-radius:4px;border-bottom-left-radius:4px}.calendar table.month tr td.range.range-end .day-content{border-top-right-radius:4px;border-bottom-right-radius:4px}.calendar-context-menu,.calendar-context-menu .submenu{border:1px solid #ddd;background-color:#fff;box-shadow:2px 2px 5px rgba(0,0,0,.2);-webkit-box-shadow:2px 2px 5px rgba(0,0,0,.2);position:absolute;display:none}.calendar-context-menu .item{padding:5px 10px;cursor:pointer;display:table;width:100%}.calendar-context-menu .item:hover{background:#eee}.calendar-context-menu .item .content{display:table-cell}.calendar-context-menu .item span{display:table-cell;padding-left:10px;text-align:right}.calendar-context-menu .item span:last-child{display:none}.calendar-context-menu .submenu{left:100%;margin-top:-6px}.calendar-context-menu .item:hover>.submenu{display:block} \ No newline at end of file diff --git a/min/exi.min.js b/min/exi.min.js index 0e36a264b..2d9e817cb 100644 --- a/min/exi.min.js +++ b/min/exi.min.js @@ -1,13 +1,15 @@ -function Exi(a){var b=this;if(this.headerCssClass="titlePanel",this.mainMenu=new MainMenu,this.anonymousMenu=null,this.userMenu=null,this.keepTabs=!1,this.controllers=[new ExiController,new ProposalExiController,new ShippingExiController],null!=a&&(null!=a.menu&&(this.mainMenu=a.menu,this.userMenu=a.menu),null!=a.anonymousMenu&&(this.anonymousMenu=a.anonymousMenu),null!=a.headerCssClass&&(this.headerCssClass=a.headerCssClass),null!=a.controllers))for(var c=0;c=.3&&(g="orange"),e/f>=.7&&(g="undefined"),.3>e/f&&(g="red"));try{a.write(g)}catch(h){a.write(b.current()[d.key])}return a},Exi.prototype.appendDataAdapterParameters=function(a){if(a||(a={}),EXI.credentialManager.getCredentials()[0]&&!EXI.credentialManager.getCredentials()[0].isValid())return void(location.hash="/welcome");var b=EXI.credentialManager.getConnections();return b.length>0&&(a.url=b[0].url,a.token=b[0].token,a.proposal=b[0].proposal),a},Exi.prototype.getDataAdapter=function(a){var b=new DataAdapterFactory(this.appendDataAdapterParameters(a));return b},Exi.prototype.setAnonymousMenu=function(){this.mainMenu=this.anonymousMenu,Ext.getCmp("mainMenu").removeAll(),Ext.getCmp("mainMenu").add(EXI.mainMenu.getPanel())},Exi.prototype.setUserMenu=function(){this.mainMenu=this.userMenu,Ext.getCmp("mainMenu").removeAll(),Ext.getCmp("mainMenu").add(EXI.mainMenu.getPanel())},Exi.prototype.loadSelected=function(a){},Exi.prototype.addMainPanel=function(a){this.keepTabs||Ext.getCmp("main_panel").removeAll(),Ext.getCmp("main_panel").add(a.getPanel()),Ext.getCmp("main_panel").setActiveTab(Ext.getCmp("main_panel").items.length-1)},Exi.prototype.getSelectedDataCollections=function(){for(var a=[],b=0;bExtended ISPyB'},Exi.prototype.show=function(){var a=this;Ext.application({name:"ExiSAXS",launch:function(){Ext.create("Ext.container.Viewport",{layout:"border",items:[{region:"north",xtype:"component",padding:10,height:75,html:a.getHeader(),cls:a.headerCssClass},{region:"north",cls:"toolbarPanel",id:"mainMenu",xtype:"panel",width:400,items:a.mainMenu.getPanel()},{xtype:"panel",id:"navigation",region:"west",width:250,split:!1,title:"Browse by",cls:"navigation",collapsible:!0,collapsed:!0},{region:"center",id:"main_panel",xtype:"tabpanel",cls:"navigation",plain:!0,items:[]},{region:"south",xtype:"panel",cls:"statusBar",bbar:a.mainStatusBar.getBar()}],listeners:{afterrender:function(b,c){a.mainMenu.populateCredentialsMenu(),a.onAfterRender.notify(),0==a.credentialManager.getCredentials()?a.setAnonymousMenu():(a.setUserMenu(),a.mainMenu.populateCredentialsMenu())}}})}})},MainStatusBar.prototype.getBar=function(){return this.statusBar=Ext.create("Ext.ux.StatusBar",{id:"main-status-bar",text:"Ready",iconCls:"accept",busyIconCls:"busy",busyText:this.busyText,cls:"statusBar",statusAlign:"right"}),this.statusBar},MainStatusBar.prototype.showBusy=function(a){null==a&&(a="Connecting to servers..."),this.statusBar.busyText=a,this.statusBar.showBusy()},MainStatusBar.prototype.showError=function(a){this.statusBar.clearStatus(),this.statusBar.setStatus({text:a,iconCls:"error"})},MainStatusBar.prototype.showReady=function(){this.statusBar.clearStatus(),this.statusBar.setStatus({text:"Ready",iconCls:"accept"})},ProposalManager.prototype.get=function(a){var b=this;if(null==localStorage.getItem("proposals")||a){var c=function(a,c){localStorage.setItem("proposals",JSON.stringify(c)),b.onActiveProposalChanged.notify()};EXI.getDataAdapter({async:!0,onSuccess:c}).proposal.proposal.getProposalsInfo()}return JSON.parse(localStorage.getItem("proposals"))},ProposalManager.prototype.clear=function(){localStorage.removeItem("proposals")},ProposalManager.prototype.getSessions=function(){if(null==localStorage.getItem("sessions")){var a=function(a,b){localStorage.setItem("sessions",JSON.stringify(b))};EXI.getDataAdapter({async:!1,onSuccess:a}).proposal.session.getSessions(); -}return JSON.parse(localStorage.getItem("sessions"))},ProposalManager.prototype.getFutureSessions=function(){for(var a=this.getSessions(),b=moment(),c=[],d=0;d=0&&($("#row-"+b+"-"+this.id).addClass("active-step").siblings().removeClass("active-step"),this.rowSelected.notify($("#row-"+b+"-"+this.id)[0].innerText))},BootstrapGrid.prototype.deselectAll=function(){$("#bootstrap-table-"+this.id).find(".clickable-row").removeClass("active-step")},BootstrapGrid.prototype.getHTML=function(){var a="";return dust.render(this.template,this.data,function(b,c){a=c}),"
"+a+"
"},BootstrapGrid.prototype.load=function(a){this.data=a,this.data.id=this.id,$("#bootstrap-grid"+this.id).length&&(this.panel.setTitle(a.header),$("#bootstrap-grid"+this.id).html(this.getHTML()),this.setClickListeners())},MainMenu.prototype.getMenuItems=function(){return[]},MainMenu.prototype.getHomeItem=function(){return{text:this._convertToHTMLWhiteSpan("Home"),cls:"ExiSAXSMenuToolBar",icon:"../images/icon/rsz_ic_home_black_24dp.png",handler:function(){if(null!=EXI.credentialManager.getCredentials())if(EXI.credentialManager.getCredentials().length>0){var a=EXI.credentialManager.getCredentials()[0].username,b=EXI.credentialManager.getCredentialByUserName(EXI.credentialManager.getCredentials()[0].username);b.isManager()?location.hash="/welcome/manager/"+a+"/main":location.hash="/welcome/user/"+a+"/main"}else BUI.showError("You should sign up");else BUI.showError("You should sign up")}}},MainMenu.prototype.getShipmentItem=function(){function a(a,b){"Shipments"==a.text&&(location.hash="/proposal/shipping/nav"),"Manage shipping addresses"==a.text&&(location.hash="/proposal/addresses/nav"),"Shipment List"==a.text&&(location.hash="/proposal/shipping/nav")}function b(){function a(a,b){"Stock Solutions"==a.text&&(location.hash="/saxs/stocksolution/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"Stock Solutions",icon:"../images/icon/testtube.png",handler:a}]})}return{text:this._convertToHTMLWhiteSpan("Shipment"),cls:"ExiSAXSMenuToolBar",disabled:!0,menu:Ext.create("Ext.menu.Menu",{items:[{text:"BioSAXS",icon:"../images/icon/macromolecule.png",menu:b()},{text:"Manage shipping addresses",icon:"../images/icon/contacts.png",handler:a},{text:"Shipments",icon:"../images/icon/shipping.png",handler:a}]})}},MainMenu.prototype.getHelpMenu=function(){function a(a,b){"ISPyB Web services API Map"==a.text&&window.open("/exi/documentation/ispyb-api-ws/print.html"),"Job list"==a.text&&(location.hash="/tool/list")}return Ext.create("Ext.menu.Menu",{items:[{text:"Developer",checked:!1,group:"theme",menu:{items:[{text:"ISPyB Web services API Map",handler:a},{text:"How to retrieve data from ISPyB?",handler:a},{text:"EXI Router",handler:a},{text:"EXI List Views Objects",handler:a},{text:"EXI Main View Objects",handler:a}]}},"-",{text:"About",checked:!1,group:"theme",handler:a}]})},MainMenu.prototype.getAddCredentialMenu=function(){return null!=EXI.credentialManager.getCredentials()&&EXI.credentialManager.getCredentials().length>0?{icon:"../images/icon/rsz_1ic_input_black_24dp.png",height:30,text:"Add",handler:function(){window.location.href="#/login"}}:void 0},MainMenu.prototype.populateCredentialsMenu=function(){this.credentialsMenu.removeAll();var a="";if(null!=EXI.credentialManager.getCredentials())for(var b=0;b0)for(var c=0;c0?(Ext.getCmp(this.loginButtonId).setText("Log out "+a+" "),Ext.getCmp(this.loginButtonId).setIcon("../images/rsz_logout.png")):(Ext.getCmp(this.loginButtonId).setText("Sign In"),Ext.getCmp(this.loginButtonId).setIcon("../images/rsz_login.png"))},MainMenu.prototype._convertToHTMLWhiteSpan=function(a){return''+a+""},MainMenu.prototype.isLoggedIn=function(){return EXI.credentialManager.getCredentials().length>0},MainMenu.prototype.getLoginButton=function(){var a="../images/rsz_login.png",b=this._convertToHTMLWhiteSpan("Sign In");return EXI.credentialManager.getCredentials().length>0&&(a="../images/rsz_logout.png",b=this._convertToHTMLWhiteSpan("log out")),{xtype:"splitbutton",id:this.loginButtonId,text:b,cls:"button_log_out",icon:a,menu:this.credentialsMenu,handler:function(){0==EXI.credentialManager.getCredentials().length?location.hash="/login":location.hash="/logout"}}},MainMenu.prototype.getPanel=function(){var a=this;this.credentialsMenu=new Ext.menu.Menu({id:a.id+"menu",items:[a.getAddCredentialMenu()]});var b=this.getMenuItems();return b.push("->"),b.push(this.getLoginButton()),this.tb=Ext.create("Ext.toolbar.Toolbar",{cls:this.cssClass,items:b}),this.tb},ListView.prototype.getSorters=function(){return{}},ListView.prototype.getFilter=function(a){return null},ListView.prototype.load=function(a){this.data=a,null!=this.formatData?this.store.loadData(this.formatData(a)):this.store.loadData(a)},ListView.prototype.getColumns=function(){var a=this;return[{text:this.title,flex:1,dataIndex:"shippingId",renderer:function(b,c,d){return a.getRow(d)}}]},ListView.prototype.getFields=function(){return[]},ListView.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{fields:this.getFields(),data:[],sorters:this.sorters,proxy:{type:"memory",reader:{type:"json"}}}),this.panel=Ext.create("Ext.grid.Panel",{store:this.store,layout:"fit",columns:this.getColumns(),width:this.width,height:this.height,multiSelect:!0,dockedItems:[{xtype:"toolbar",dock:"bottom",cls:"x-toolbar",height:42,items:[{xtype:"textfield",name:"searchField",hideLabel:!0,width:200,hidden:null==a.getFilter(),emptyText:"Search...",listeners:{change:function(b,c){var d=b.getValue();""!=d?a.store.filter(a.getFilter(d)):(a.store.clearFilter(!0),a.load(a.data))}}}]}],viewConfig:{emptyText:"No items to display",enableTextSelection:!0,preserveScrollOnRefresh:!0,stripeRows:!0}}),this.panel.on("selectionchange",function(b,c){var d=[];for(var e in c)d.push(c[e].data);a.onSelect.notify(d)}),this.panel},AddressListView.prototype.getPanel=ListView.prototype.getPanel,AddressListView.prototype.load=ListView.prototype.load,AddressListView.prototype.getFields=ListView.prototype.getFields,AddressListView.prototype.getColumns=ListView.prototype.getColumns,AddressListView.prototype.getFilter=function(a){return[{property:"cardName",value:a,anyMatch:!0}]},AddressListView.prototype.getRow=function(a){var b="";return dust.render("address.listview",a.data,function(a,c){b=c}),b},RunListView.prototype.getPanel=ListView.prototype.getPanel,RunListView.prototype.load=ListView.prototype.load,RunListView.prototype.getFilter=function(a){return[{property:"name",value:a,anyMatch:!0}]},RunListView.prototype.formatStatus=function(a){return"FINISHED"==a?""+a+"":""+a+""},RunListView.prototype.formatJobs=function(a){for(var b="",c=0;c";return b+"
"+a[c].name+"
"},RunListView.prototype.getRow=function(a){var b="";return b=b+"",b=b+"",b=b+"",b=b+"",b+"
Name:"+a.data.name+"
Status:"+this.formatStatus(a.data.status)+"
Jobs:"+this.formatJobs(a.data.jobs)+"
Date:"+a.data.creationDate+"
"},RunListView.prototype.getColumns=function(){var a=this;return[{text:"Jobs",flex:1,dataIndex:"sessionId",renderer:function(b,c,d){return a.getRow(d)}}]},RunListView.prototype.getFields=function(){return["name","status","creationDate","jobs"]},SessionListView.prototype.getPanel=ListView.prototype.getPanel,SessionListView.prototype.load=ListView.prototype.load,SessionListView.prototype.getFilter=function(a){return[{property:"beamlineName",value:a,anyMatch:!0}]},SessionListView.prototype.formatData=function(a){for(var b=0;ba/b)return""+a+"/"+b+"";if(.7>a/b)return""+a+"/"+b+""}return a+"/"+b}function b(a){"yes"==a&&exiSAXS.localExtorage.selectedSubtractionsManager.remove(record.data)}return this.selection=Ext.create("Ext.data.Store",{fields:["subtractionId","scattering","macromoleculeAcronym","concentration","framesMerge","framesCount","exposureTemperature"]}),this.selectionGrid=Ext.create("Ext.grid.Panel",{store:this.selection,title:"Selection",emptyText:"No selection",tbar:this.selectionMenu.getPanel(),columns:[{text:"",dataIndex:"scattering",renderer:function(a,b,c){return"'}},{text:"",dataIndex:"macromoleculeAcronym",flex:.8,renderer:function(b,c,d){return d.data.macromoleculeAcronym+"
"+BUI.formatValuesUnits(d.data.concentration,"mg/ml",7,2)+"
"+d.data.exposureTemperature+" C
"+a(d.data.framesMerge,d.data.framesCount)}},{text:"",id:"remove",dataIndex:"scattering",width:50,renderer:function(a){return'
'}}],width:200,listeners:{cellclick:function(a,c,d,e,f,g,h,i){2==d&&Ext.Msg.show({title:"Discard subtraction?",msg:"Your are discarding a selected subtraction. You may re-add it afterwards. Would you like to discard it?",buttons:Ext.Msg.YESNO,icon:Ext.Msg.QUESTION,fn:b,height:150})}}}),this.selectionGrid},WorkSpaceListView.prototype.getProjectPanel=function(){return this.projectStore=Ext.create("Ext.data.Store",{fields:["name"]}),this.projectGrid=Ext.create("Ext.grid.Panel",{store:this.projectStore,title:"Projects",emptyText:"No projects",columns:[{text:"Name",dataIndex:"name",flex:1,renderer:function(a,b,c){var d=""+c.data.name+"
"+c.data.description+"";return null!=c.data.subtractions&&(d=d+"
"+c.data.subtractions.length+" datasets selected"),d}}],height:200}),this.projectGrid},WorkSpaceListView.prototype.getRunPanel=function(){var a=this;return this.runStore=Ext.create("Ext.data.Store",{fields:["name"]}),this.runGrid=Ext.create("Ext.grid.Panel",{store:this.runStore,title:"Run",emptyText:"No Runs",minHeight:600,dockedItems:[{xtype:"toolbar",dock:"bottom",ui:"footer",items:[{xtype:"component",flex:1},{xtype:"button",text:"Refresh",handler:function(b,c,d){a.loadRuns()}}]}],columns:[{text:"Name",dataIndex:"name",flex:1,renderer:function(a,b,c){var d=c.data.jobs,e="";if(e=e+"",e=e+"",e=e+"",null!=d)for(var f=0;f";return e+"
"+c.data.name+"
"+c.data.status+"
"+c.data.creationDate+"
"+d[f].name+""+d[f].status+"
"}}],height:200}),this.runGrid.on("select",function(b,c,d,e){location.hash="/project/"+a.projectId+"/run/"+c.data.internalId+"/main"}),this.runGrid},WorkSpaceListView.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{layout:"fit",autoScroll:!0,defaults:{bodyStyle:"padding:15px"},items:[a.getSelectionPanel(),a.getProjectPanel(),a.getRunPanel()]}),this.panel},Credential.prototype.isManager=function(){return this._checkRole("manager")},Credential.prototype.isLocalContact=function(){return this._checkRole("localcontact")},Credential.prototype._checkRole=function(a){return-1!=JSON.stringify(this.roles).toLowerCase().indexOf(a)},Credential.prototype.isValid=function(){return this.timeToExpire()>0},Credential.prototype.timeToExpire=function(){return moment.duration(moment(this.tokenExpires).diff(moment())).asHours()},CredentialManager.prototype.addCredential=function(a,b,c,d,e,f){var g=moment().add(3,"hour"),h=new Credential(a,b,c,d,e,[],g,f);null==localStorage.getItem("credentials")&&localStorage.setItem("credentials","[]");var i=this.getCredentials();i.push(h),localStorage.setItem("credentials",JSON.stringify(i)),this.onLogin.notify(h)},CredentialManager.prototype.credentialToObject=function(a){return new Credential(a.username,a.roles,a.token,a.url,a.exiUrl,a.activeProposals,a.tokenExpires,a.properties)},CredentialManager.prototype.getCredentials=function(){var a=[];null!=JSON.parse(localStorage.getItem("credentials"))&&(a=JSON.parse(localStorage.getItem("credentials")));for(var b=0;b0)for(var d=0;d0?b[0]:void 0},CredentialManager.prototype.logout=function(a,b,c,d){localStorage.removeItem("credentials"),this.onLogout.notify()},CredentialManager.prototype.setActiveProposal=function(a,b){for(var c=this.getCredentials(),d=0;d",{icon:"../images/icon/person.png",border:0},{xtype:"textfield",name:"field1",width:300,emptyText:"search by local contact",listeners:{specialkey:function(b,c){c.getKey()==c.ENTER&&a.displaySessionsByBeamlineOperator(b.getValue())}}}]})},ManagerWelcomeMainView.prototype.searchProposalByTerm=function(a){var b=[];if(null!=this.proposals)for(var c=0;cDownload"}}]})},RunMainView.prototype.getGeneralContainerList=function(a){var b="
    ";return b=b+"
  • Name: "+a.name+"
  • ",b=b+"
  • Status: "+a.status+"
  • ",b=b+"
  • "+a.creationDate+"
  • "},RunMainView.prototype.getGeneralContainer=function(a){return{xtype:"panel",title:"General",margin:10,border:1,style:{borderColor:"gray",borderStyle:"solid",borderWidth:"1px"},items:[{html:this.getGeneralContainerList(a),margin:"10 0 0 50"}]}},RunMainView.prototype.getMainPanel=function(){},RunMainView.prototype.getTabs=function(){return Ext.createWidget("tabpanel",{plain:!0,margin:"20 0 0 0",items:[this.getMainPanel(),{tabConfig:{title:"Output Files"},items:[{xtype:"container",layout:"fit",height:700,padding:20,cls:"border-grid",items:[this.getOutputPanel()]}]}]})},RunMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"anchor"},defaults:{anchor:"100%",hideEmptyLabel:!1},margin:5,bodyStyle:{"background-color":"#E6E6E6"},items:[this.getTabs()]})},RunMainView.prototype.loadMain=function(a){},RunMainView.prototype.load=function(a){if(null!=a){this.panel.setTitle(a.name);for(var b=[],c=0;c "+c+""};-1==c[0].data.name.indexOf(".mtz")?EXI.getDataAdapter({onSuccess:d}).exi.offline.getFileContent(c[0].data.targetId):d(this,"No text available")}}});return Ext.create("Ext.grid.Panel",{title:"Files",store:this.filesStore,selModel:b,cls:"border-grid",height:400,columns:[{text:"Name",dataIndex:"name",flex:1}]})},DimpleRunMainView.prototype.getMainPanel=function(){var a=Ext.create("Ext.data.Store",{fields:["key","value"]});return this.generalGrid=Ext.create("Ext.grid.Panel",{title:"General",store:a,layout:"fit",columns:[{text:"Name",dataIndex:"name"},{text:"Seniority",dataIndex:"seniority"}],flex:1}),{tabConfig:{title:"Dimple"},items:[{xtype:"container",height:700,cls:"border-grid",items:[{xtype:"container",layout:"hbox",items:[{xtype:"container",layout:"fit",flex:.4,margin:5,items:[this.getFilesGrid(),{html:"
    "},{html:'
    '}]},{xtype:"container",layout:"fit",flex:.6,margin:5,height:400,cls:"border-grid",items:[{html:'
    '}]}]},{xtype:"container",margin:5,height:210,layout:"fit",flex:1,items:[{html:'
    '}]}]}]}},DimpleRunMainView.prototype.loadBlobs=function(a){var b=[],c=0;for(c=0;c0)for(var b=0;b
    ',height:600,border:0,width:600},this.subpanel],listeners:{afterrender:function(){_this.showCalendar([])}}}),this.panel},SessionMainView.prototype.showCalendar=function(a){function b(a){c.loadByDate(moment(new Date(a.startDate)).format("YYYYMMDD"))}var c=this;$("#"+c.id).empty(),$("#"+this.id).calendar({enableContextMenu:!0,enableRangeSelection:!0,selectRange:function(a){b({startDate:a.startDate,endDate:a.endDate})},mouseOnDay:function(a){if(a.events.length>0){var b="";for(var c in a.events)b+="
    "+a.events[c].name+"
    "+a.events[c].location+"
    ";$(a.element).popover({trigger:"manual",container:"body",html:!0,content:b}),$(a.element).popover("show")}},mouseOutDay:function(a){a.events.length>0&&$(a.element).popover("hide")},dayContextMenu:function(a){$(a.element).popover("hide")},dataSource:a})},SessionMainView.prototype.getBadge=function(a,b){return b&&0!=b?""+a+' '+b+"
    ":""},SessionMainView.prototype.getLocation=function(a){var b=this.getBadge("Collect",a.dataCollectionGroupCount);return b+=this.getBadge("Images",a.imagesCount),b+=this.getBadge("XRF",a.xrfSpectrumCount),b+=this.getBadge("Energy",a.energyScanCount),b+this.getBadge("Sample",a.sampleCount)},SessionMainView.prototype.load=function(a){for(var b=[],c=0;c0){var e=EXI.proposalManager.getProposals()[0];e.sessionCount=a.length,dust.render("welcomemainviewproposalheader",e,function(a,b){$("#"+d.id+"_header").html(b),d.panel.insert(0,{html:b,border:0,margin:"10 0 0 10",width:600})})}},SessionMainView.prototype.loadByDate=function(a){function b(a,b){c.sessionGrid.load(b),c.panel.setLoading(!1)}var c=this;this.panel.setLoading(!0);var d=EXI.credentialManager.getCredentials()[0].activeProposals[0],e=moment(a,"YYYYMMDD").format("YYYYMMDD");EXI.getDataAdapter({onSuccess:b}).proposal.session.getSessionsByProposalAndDate(a,e,d)},CaseForm.prototype.fillStores=function(){var a=this;this.panel.setLoading("Loading Labcontacts from database");var b=BUI.getProposal();b.onDataRetrieved.attach(function(b,c){a.labContactForSendingStore.loadData(c,!1),a.labContactForReturnStore.loadData(c,!1),a.panel.setLoading(!1)}),b.getLabContactsByProposalId()},CaseForm.prototype.refresh=function(a){this.setDewar(a)},CaseForm.prototype.getDewar=function(){return this.dewar.code=Ext.getCmp(this.id+"dewar_code").getValue(),this.dewar.comments=Ext.getCmp(this.id+"dewar_comments").getValue(),this.dewar.transportValue=Ext.getCmp(this.id+"dewar_transportValue").getValue(),this.dewar.storageLocation=this.storageLocationComboBox.getValue(),this.dewar},CaseForm.prototype.setDewar=function(a){this.dewar=a,null==this.dewar&&(this.dewar={},this.dewar.code="",this.dewar.transportValue="",this.dewar.storageLocation="",this.dewar.comments=""),Ext.getCmp(this.id+"dewar_code").setValue(this.dewar.code),Ext.getCmp(this.id+"dewar_comments").setValue(this.dewar.comments),Ext.getCmp(this.id+"dewar_transportValue").setValue(this.dewar.transportValue),this.storageLocationComboBox.setValue(this.dewar.storageLocation)},CaseForm.prototype.getStorageLocationCombo=function(){return this.storageLocationComboBox=BIOSAXS_COMBOMANAGER.getComboStorageTemperature(),this.storageLocationComboBox},CaseForm.prototype.getPanel=function(a){return this.panel=Ext.create("Ext.form.Panel",{width:this.width-10,padding:10,height:320,items:[{xtype:"container",margin:"2 2 2 2",collapsible:!1,defaultType:"textfield",layout:"anchor",items:[{xtype:"container",layout:"vbox",items:[{xtype:"requiredtextfield",fieldLabel:"Name",allowBlank:!1,name:"code",id:this.id+"dewar_code",labelWidth:200,width:500}]},this.getStorageLocationCombo(),{xtype:"numberfield",width:500,labelWidth:200,margin:"10 0 0 0",fieldLabel:"Transport Value",id:this.id+"dewar_transportValue"},{xtype:"textareafield",name:"comments",fieldLabel:"Comments",labelWidth:200,width:500,margin:"10 0 0 0",height:100,id:this.id+"dewar_comments"}]}]}),this.refresh(a),this.panel},ContainerSpreadSheet.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{layout:"vbox",height:this.height+50,items:[{html:'
    ',margin:"20 0 20 10",height:this.height,width:this.width,autoScroll:!0,resizable:!0}]}),this.panel},ContainerSpreadSheet.prototype.getSamplesData=function(a){function b(a,b){for(var c=0;cAcronym",id:"Protein Acronym",column:{width:60,type:"dropdown",source:this.getAcronyms()}},{text:"Sample
    Name",id:"Sample Name",column:{width:120}},{text:"Space
    Group",id:"Space Group",column:{width:90,type:"dropdown",source:this.getSpaceGroups()}},{text:"Exp.
    Type",id:"Experiment Type",column:{width:80,type:"dropdown",source:["Default","MXPressE","MXPressO","MXPressI","MXPressE_SAD","MXScore","MXPressM"]}},{text:"Pin
    BarCode",id:"Pin BarCode",column:{width:45}},{text:"Pre-observed
    resolution",id:"Pre-observed resolution",column:{width:45}},{text:"Needed
    resolution",id:"Needed resolution",column:{width:45}},{text:"Pref.
    Diameter",id:"Pref. Diameter",column:{width:45}},{text:"Number Of
    positions",id:"Number Of positions",column:{width:45}},{text:"Radiation
    Sensitivity",id:"Radiation Sensitivity",column:{width:60}},{text:"Required
    multiplicity",id:"Required multiplicity",column:{width:60}},{text:"Required
    Completeness",id:"Required Completeness",column:{width:60}},{text:"A",id:"Unit cell A",column:{width:40}},{text:"B",id:"Unit cell B",column:{width:40}},{text:"C",id:"Unit cell C",column:{width:40}},{text:"α",id:"Unit cell Alpha",column:{width:40}},{text:"β",id:"Unit cell Beta",column:{width:40}},{text:"γ",id:"Unit cell Gamma",column:{width:40}},{text:"Smiles",id:"Required Completeness",column:{width:45}},{text:"Comments",id:"Comments",column:{width:45}}]},ContainerSpreadSheet.prototype.getHeaderWidth=function(){for(var a=this.getHeader(),b=[],c=0;c0&&(f=g[0]),f.name=c[e]["Sample Name"],f.smiles=c[e].Smiles,f.location=c[e].location,f.comments=c[e].Comments;var h=[];null==f.crystalVO?(f.crystalVO={},h=EXI.proposalManager.getProteinByAcronym(c[e]["Protein Acronym"]),null!=h&&(f.crystalVO.proteinVO=h[0])):(h=EXI.proposalManager.getProteinByAcronym(c[e]["Protein Acronym"]),null!=h&&(f.crystalVO.proteinVO=h[0])),f.crystalVO.spaceGroup=c[e]["Space Group"],f.crystalVO.cellA=Number(c[e]["Unit cell A"]),f.crystalVO.cellB=Number(c[e]["Unit cell B"]),f.crystalVO.cellC=Number(c[e]["Unit cell C"]),f.crystalVO.cellAlpha=Number(c[e]["Unit cell Alpha"]),f.crystalVO.cellBeta=Number(c[e]["Unit cell Beta"]),f.crystalVO.cellGamma=Number(c[e]["Unit cell Gamma"]),f.diffractionPlanVO={},f.diffractionPlanVO.radiationSensitivity=Number(c[e]["Radiation Sensitivity"]),f.diffractionPlanVO.requiredCompleteness=Number(c[e]["Required Completeness"]),f.diffractionPlanVO.requiredMultiplicity=Number(c[e]["Required multiplicity"]),f.diffractionPlanVO.requiredResolution=Number(c[e]["Needed resolution"]),f.diffractionPlanVO.observedResolution=Number(c[e]["Pre-observed resolution"]),f.diffractionPlanVO.preferredBeamDiameter=Number(c[e]["Pref. Diameter"]),f.diffractionPlanVO.numberOfPositions=Number(c[e]["Number Of positions"]),f.diffractionPlanVO.experimentKind=c[e]["Experiment Type"],d.push(f)}return b.sampleVOs=d,b},ContainerSpreadSheet.prototype.parseTableData=function(){for(var a=[],b=this.spreadSheet.getData(),c=0;c0&&a.push(d)}for(var h=[],i=0;iAre you sure you want to continue?",buttons:Ext.MessageBox.YESNO,fn:b,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})}},"->",{text:"Save",width:100,height:30,handler:function(){a.save()}}]},PuckForm.prototype.removePuck=function(){var a=this;this.panel.setLoading();var b=function(b,d){a.panel.setLoading(!1),a.onRemoved.notify(c)},c=this.puck.containerId;EXI.getDataAdapter({onSuccess:b}).proposal.shipping.removeContainerById(c,c,c)},PuckForm.prototype.save=function(){var a=this;this.panel.setLoading("Saving Puck");var b=this.containerSpreadSheet.getPuck();b.code=Ext.getCmp(a.id+"puck_name").getValue(),b.capacity=a.capacityCombo.getValue();var c=function(b,c){a.panel.setLoading(!1),EXI.setError(c.responseText)},d=function(b,c){a.panel.setLoading(!1),a.load(c),a.onSaved.notify(c)};EXI.getDataAdapter({onSuccess:d,onError:c}).proposal.shipping.saveContainer(this.puck.containerId,this.puck.containerId,this.puck.containerId,b)},PuckForm.prototype.containerTypeChanged=function(a){this.puck.capacity=a;var b=this.containerSpreadSheet.spreadSheet.getData();if(b.length=c;c++)b.push([c]);else b=b.slice(0,a);this.containerSpreadSheet.spreadSheet.loadData(b)},PuckForm.prototype.getPanel=function(){var a=this,b=BIOSAXS_COMBOMANAGER.getComboPuckType({margin:"10 0 10 5",labelWidth:100,width:250});return b.on("select",function(b,c){var d=c[0].data.value;a.containerTypeChanged(d)}),this.capacityCombo=b,this.panel=Ext.create("Ext.panel.Panel",{buttons:this.getToolBar(),items:[{xtype:"container",margin:"5 0 2 5",layout:"hbox",items:[{xtype:"container",margin:"12 0 2 0",layout:"vbox",items:[{xtype:"requiredtextfield",id:this.id+"puck_name",fieldLabel:"Name",name:"name",width:250,margin:"0 0 0 5",labelWidth:100},this.capacityCombo,{xtype:"textfield",id:this.id+"puck_beamline",fieldLabel:"Beamline",width:250,disabled:!0,margin:"0 0 0 5",labelWidth:100},{xtype:"textfield",id:this.id+"puck_sampleChangerLocation",fieldLabel:"#Sample Changer",width:250,disabled:!0,margin:"0 0 0 5",labelWidth:100},{xtype:"textfield",id:this.id+"puck_status",fieldLabel:"Status",width:250,disabled:!0,margin:"0 0 0 5",labelWidth:100}]}]},this.containerSpreadSheet.getPanel()]}),this.panel},ShipmentForm.prototype.fillStores=function(){this.panel.setLoading("Loading Labcontacts from database");var a=EXI.proposalManager.getLabcontacts();this.labContactForSendingStore.loadData(a,!1),a.sort(function(a,b){return a.cardNameb.cardName?1:0}),$.extend(a,[{cardName:"Same as for shipping to beamline",labContactId:-1},{cardName:"No return requested",labContactId:0}]),this.labContactForReturnStore.loadData(a,!1),this.labContactsReturnCombo.setValue(-1),this.panel.setLoading(!1),null!=this.shipment&&this.setShipment(this.shipment)},ShipmentForm.prototype.draw=function(a){this.getPanel().render(a)},ShipmentForm.prototype.load=function(a){this.shipment=a;var b=this;if(Ext.getCmp(b.id+"shippingName").setValue(a.shippingName),Ext.getCmp(b.id+"comments").setValue(a.comments),null!=a.sendingLabContactVO&&this.labContactsSendingCombo.setValue(a.sendingLabContactVO.labContactId),null==a.returnLabContactVO?this.labContactsReturnCombo.setValue(0):a.returnLabContactVO.labContactId==a.sendingLabContactVO.labContactId?this.labContactsReturnCombo.setValue(-1):this.labContactsReturnCombo.setValue(a.returnLabContactVO.labContactId),null!=a.sessions&&a.sessions.length>0){var c=a.sessions[0];this.sessionComboBox.setValue(c.sessionId)}},ShipmentForm.prototype._saveShipment=function(){var a=this,b=null;null!=this.shipment&&(b=this.shipment.shippingId);var c=this.labContactsSendingCombo.getValue(),d=this.labContactsReturnCombo.getValue();if(null==c)return void BUI.showError("User contact information for shipping to beamline is mandatory");0==this.labContactsReturnCombo.getValue()&&(d=0),-1==this.labContactsReturnCombo.getValue()&&(d=-1);var e=EXI.proposalManager.getLabcontactById(c),f={shippingId:b,name:Ext.getCmp(a.id+"shippingName").getValue(),status:"Not set",sendingLabContactId:c,returnLabContactId:d,returnCourier:d,courierAccount:e.courierAccount,billingReference:e.billingReference,dewarAvgCustomsValue:e.dewarAvgCustomsValue,dewarAvgTransportValue:e.dewarAvgTransportValue,comments:Ext.getCmp(a.id+"comments").getValue(),sessionId:this.sessionComboBox.getValue()},g=function(b,c){location.hash="#/shipping/"+c.shippingId+"/main",a.panel.setLoading(!1),a.onSaved.notify(c)};return""==f.name?void BUI.showError("Name field is mandatory"):null==f.sendingLabContactId?void BUI.showError("Lab contact for sending field is mandatory"):(this.panel.setLoading(),void EXI.getDataAdapter({onSuccess:g}).proposal.shipping.saveShipment(f))},ShipmentForm.prototype.getPanel=function(){var a=this,b='*',c=[];return a.creationMode?c.push({text:"Create",scope:this,handler:function(){a._saveShipment()}}):c.push({text:"Save",scope:this,handler:function(){a._saveShipment()}}),this.labContactForSendingStore=Ext.create("Ext.data.Store",{fields:["cardName","labContactId"],sorters:"cardName"}),this.labContactForReturnStore=Ext.create("Ext.data.Store",{fields:["cardName","labContactId"]}),this.labContactsSendingCombo=Ext.create("Ext.form.ComboBox",{id:a.id+"shipmentform_sendingLabContactId",fieldLabel:"Shipping Card to ESRF",afterLabelTextTpl:b,store:this.labContactForSendingStore,queryMode:"local",labelWidth:200,width:600,margin:"10 0 0 10",displayField:"cardName",valueField:"labContactId"}),this.labContactsReturnCombo=Ext.create("Ext.form.ComboBox",{id:a.id+"returnLabContactId",fieldLabel:"Shipping Card to HOME",afterLabelTextTpl:b,store:this.labContactForReturnStore,queryMode:"local",margin:"10 0 0 10",labelWidth:200,width:600,displayField:"cardName",valueField:"labContactId"}),this.sessionComboBox=BIOSAXS_COMBOMANAGER.getComboSessions(EXI.proposalManager.getSessions(),{margin:"10 0 0 10",width:400,labelWidth:200}),null==this.panel&&(this.panel=Ext.create("Ext.form.Panel",{layout:"hbox",width:this.width,margin:10,bodyPadding:5,cls:"border-grid",buttons:c,items:[{xtype:"container",layout:"vbox",items:[{xtype:"requiredtextfield",fieldLabel:"Name",allowBlank:!1,labelWidth:200,width:400,margin:"10 20 0 10",name:"shippingName",id:a.id+"shippingName",value:""},this.sessionComboBox]},{xtype:"textareafield",name:"comments",id:a.id+"comments",fieldLabel:"Comments",value:"",labelWidth:200,margin:"10 20 0 10",width:500},{xtype:"container",layout:"vbox",items:[this.labContactsSendingCombo,this.labContactsReturnCombo]}]})),this.fillStores(),this.panel},ShippingMainView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"vbox",align:"center"},cls:"border-grid",items:[this.shipmentForm.getPanel(),this.parcelGrid.getPanel()]}),this.panel},ShippingMainView.prototype.load=function(a){var b=this;if(this.shippingId=a,null==a&&Ext.getCmp(this.id+"grid").disable(!0),this.panel.setTitle("Shipment"),null!=a){this.panel.setLoading();var c=function(a,c){b.shipmentForm.load(c),b.parcelGrid.load(c),b.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).proposal.shipping.getShipment(a)}},ShippingMainViewTest.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"vbox",align:"center"},cls:"border-grid",items:[this.shipmentForm.getPanel(),this.parcelGrid.getPanel()]}),this.panel},ShippingMainViewTest.prototype.load=function(a){var b=this;if(this.shippingId=a,null==a&&Ext.getCmp(this.id+"grid").disable(!0),this.panel.setTitle("Shipment"),null!=a){this.panel.setLoading();var c=function(a,c){b.shipmentForm.load(c),b.parcelGrid.load(c),b.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).proposal.shipping.getShipment(a)}},WelcomeMainView.prototype.getPanel=MainView.prototype.getPanel,WelcomeMainView.prototype.getContainer=function(){return{layout:{type:"fit"},items:[{html:"",margin:"50 0 0 50"}]}},WelcomeMainView.prototype.load=function(){},AuthenticationForm.prototype.show=function(){this.window=Ext.create("Ext.window.Window",{title:"Login",height:250,closable:!1,width:450,modal:!0,layout:"fit",items:[this.getPanel()]}),this.window.show()},AuthenticationForm.prototype.getAuthenticationForm=function(){if(ExtISPyB.sites&&ExtISPyB.sites.length>1){var a=Ext.create("Ext.data.Store",{fields:["name","url","exiUrl"],data:ExtISPyB.sites});return{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"User",name:"user",margin:"10 0 0 10",allowBlank:!1},{xtype:"textfield",fieldLabel:"Password",margin:"10 0 0 10",name:"password",allowBlank:!1,inputType:"password"},{xtype:"combo",fieldLabel:"Choose site",name:"site",store:a,allowBlank:!1,valueField:"url",displayField:"name",margin:"10 0 0 10"}]}}return{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"User",name:"user",margin:"30 0 0 10",allowBlank:!1},{xtype:"textfield",fieldLabel:"Password",margin:"10 0 0 10",name:"password",allowBlank:!1,inputType:"password"}]}},AuthenticationForm.prototype.getIconForm=function(){return this.singleSite?{xtype:"image",src:this.site.icon,width:75,height:75,margin:"30 0 0 10"}:void 0},AuthenticationForm.prototype.getPanel=function(){var a=this;return ExtISPyB.sites&&1==ExtISPyB.sites.length&&(this.singleSite=!0, -this.siteURL=ExtISPyB.sites[0].url,this.site=ExtISPyB.sites[0],this.icon=ExtISPyB.sites[0].icon),Ext.create("Ext.form.Panel",{bodyPadding:5,width:370,layout:"vbox",defaults:{anchor:"90%"},defaultType:"textfield",items:[{xtype:"container",layout:"hbox",items:[this.getIconForm(),this.getAuthenticationForm()]}],buttons:[{text:"Login",formBind:!0,disabled:!0,handler:function(){var b=this.up("form").getForm(),c=null;a.singleSite||(a.siteURL=b.getFieldValues().site);for(var d=0;d
    ',id:this.id}]}),this.plotPanel.on("afterrender",function(){}),this.plotPanel.on("resize",function(){}),this.plotPanel},CurvePlotter.prototype.getPointCount=function(){return this.dygraph.rawData_.length},CurvePlotter.prototype.getColors=function(){return this.dygraph.getColors()},CurvePlotter.prototype.getLabels=function(){return this.dygraph.getLabels()},CurvePlotter.prototype.render=function(a){var b=this;null!=document.getElementById(this.targetId)&&(document.getElementById(this.targetId).innerHTML="",this.width=this.plotPanel.getWidth(),this.height=this.plotPanel.getHeight(),document.getElementById(this.targetId).setAttribute("style","border: 1px solid #000000; height:"+(this.plotPanel.getHeight()-1)+"px;width:"+(this.plotPanel.getWidth()-2)+"px;"),Ext.getCmp(this.id).setHeight(this.plotPanel.getHeight()),Ext.getCmp(this.id).setWidth(this.plotPanel.getWidth()),this.dygraph=new Dygraph(document.getElementById(this.targetId),a,{title:this.title,titleHeight:20,legend:this.legend,labelsSeparateLines:!0,errorBars:!0,connectSeparatedPoints:!0,pointClickCallback:function(a,c){b.onPointClickCallback.notify(c.name)}}),this.dygraph.ready(function(){b.onRendered.notify()}))},CurvePlotter.prototype.loadMerge=function(a,b,c,d){this.render(EXI.getDataAdapter().saxs.hplc.getFramesMergeURL(a,b,c,d))},CurvePlotter.prototype.loadHPLCFrame=function(a,b){this.render(EXI.getDataAdapter().saxs.hplc.getHPLCFramesScatteringURL(a,b))},CurvePlotter.prototype.loadUrl=function(a){this.render(a)},CurvePlotter.prototype.load=function(a){this.render(EXI.getDataAdapter().saxs.frame.getFramesURL(a.frame,a.average,a.subtracted,a.sampleaverage,a.bufferaverage))},AutoProcIntegrationCurvePlotter.prototype.getPointCount=CurvePlotter.prototype.getPointCount,AutoProcIntegrationCurvePlotter.prototype.getLabels=CurvePlotter.prototype.getLabels,AutoProcIntegrationCurvePlotter.prototype.toCSV=function(a,b){for(var c=a.toString()+"\n",d=0;d
    '},AutoProcIntegrationCurvePlotter.prototype.getPanel=function(){return this.plotPanel=Ext.create("Ext.panel.Panel",{layout:{type:"fit"},height:this.height,margin:this.margin,items:[{html:this.getHTML(),id:this.id,style:{border:"1px solid black"},height:this.height,border:1}]}),this.plotPanel},ParcelPanel.prototype.addHeaderPanel=function(){var a="No information";dust.render("parcel.header.shipping.template",this.dewar,function(b,c){a=c}),this.panel.add(0,{xtype:"container",border:1,padding:1,items:{xtype:"container",layout:"hbox",items:_.concat(this._getTopButtons(),{html:a,margin:12})}})},ParcelPanel.prototype.render=function(){var a=this,b=this.dewar;if(this.panel.removeAll(),this.addHeaderPanel(),null!=b&&null!=b.containerVOs){var c=Ext.create("Ext.panel.Panel",{layout:"hbox",cls:"border-grid",margin:"0 0 0 6px",width:this.width-15,height:this.pucksPanelHeight+20,autoScroll:!0,items:[]});this.panel.add(c),b.containerVOs.sort(function(a,b){return a.containerId-b.containerId});for(var d={},e=[],f=0;f"+c.data.Proposal_proposalCode+c.data.Proposal_proposalNumber+""}},{text:"Code",dataIndex:"Proposal_number",width:75,hidden:!0},{text:"Number",dataIndex:"number",width:75,hidden:!0},{text:"Title",dataIndex:"Proposal_title",flex:1}],flex:1,viewConfig:{stripeRows:!0,listeners:{cellclick:function(b,c,d,e,f,g,h,i){a.onSelected.notify(e.data)}}}}),this.tbar&&this.panel.addDocked({xtype:"toolbar",cls:"toolBarGrid",height:48,items:this._getTbar()}),this.panel},PuckParcelPanel.prototype.getPanel=function(){return this.puck=new PuckWidgetContainer(this.data),this.puckPanel=Ext.create("Ext.panel.Panel",{width:this.width,height:2*this.data.mainRadius+5,items:[this.puck.getPanel()]}),this.panel=Ext.create("Ext.panel.Panel",{width:this.width,height:this.height,items:[{html:this.getCodeHeader(),margin:5,x:this.data.xMargin},this.puckPanel,this.getButtons()]}),this.panel},PuckParcelPanel.prototype.load=function(a){this.puck=new PuckWidgetContainer(this.data),this.puckPanel.removeAll(),this.puckPanel.add(this.puck.getPanel()),this.puck.loadSamples(a),this.containerId=this.puck.puckWidget.containerId},PuckParcelPanel.prototype.getCodeHeader=function(){var a={info:[{text:"Code:",value:this.code}]},b="";return dust.render("info.grid.template",a,function(a,c){b=c}),b},PuckParcelPanel.prototype.getButtons=function(){var a=this;return this.buttons=Ext.create("Ext.panel.Panel",{layout:{type:"hbox",align:"middle",pack:"center"},width:this.width,items:[{xtype:"button",margin:5,icon:"../images/icon/edit.png",handler:function(b,c){var d=new PuckForm({width:Ext.getBody().getWidth()-150});d.onRemoved.attach(function(b,c){a.onPuckRemoved.notify(c),e.close()}),d.onSaved.attach(function(b,c){a.onPuckSaved.notify(c),e.close()});var e=Ext.create("Ext.window.Window",{title:"Edit Puck",height:700,width:Ext.getBody().getWidth()-100,modal:!0,resizable:!0,layout:"fit",items:d.getPanel()}).show();if(null!=a.containerId){var f=function(a,b){d.load(b)};EXI.getDataAdapter({onSuccess:f}).proposal.shipping.getContainerById(a.containerId,a.containerId,a.containerId)}}},{xtype:"button",margin:5,cls:"btn-remove",icon:"../images/icon/ic_highlight_remove_black_24dp.png",handler:function(){function b(b){"yes"==b&&a.removePuck()}Ext.MessageBox.show({title:"Remove",msg:"Removing a puck from this parcel will remove also its content.
    Are you sure you want to continue?",buttons:Ext.MessageBox.YESNO,fn:b,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})}}]}),this.buttons},PuckParcelPanel.prototype.removePuck=function(){var a=this;this.panel.setLoading();var b=function(b,c){a.panel.setLoading(!1),a.onPuckRemoved.notify(a.containerId)},c=this.containerId;EXI.getDataAdapter({onSuccess:b}).proposal.shipping.removeContainerById(c,c,c)},SessionGrid.prototype.load=function(a){this.sessions=a,this.store.loadData(a,!1)},SessionGrid.prototype.filterByBeamline=function(a){if(a)if(a.length>0){for(var b=[],c=0;c"+moment(c.data.BLSession_startDate,"MMMM Do YYYY, h:mm:ss a").format("MMMM Do YYYY")+"":void 0}},{text:"Beamline",dataIndex:"beamLineName",width:125,hidden:!1,renderer:function(a,b,c){var d="#";return d="SAXS"==EXI.credentialManager.getTechniqueByBeamline(c.data.beamLineName)?"#/session/nav/"+c.data.sessionId+"/session":"#/mx/datacollection/session/"+c.data.sessionId+"/main",""+c.data.beamLineName+""}},{text:"Proposal",dataIndex:"Proposal_ProposalNumber",flex:1,hidden:!1,renderer:function(a,b,c){var d=c.data.Proposal_proposalCode+c.data.Proposal_ProposalNumber;return""+d+""}},{text:"Shifts",dataIndex:"nbShifts",hidden:this.isHiddenNumberOfShifts,flex:1},{text:"Local Contact",dataIndex:"beamLineOperator",width:200,hidden:this.isHiddenLocalContact,flex:1},{text:"Title",dataIndex:"Proposal_title",width:200,hidden:this.isHiddenTitle,flex:4},{text:"PI",dataIndex:"Proposal_title",width:200,hidden:this.isHiddenPI,renderer:function(a,b,c){return c.data.Person_familyName+", "+c.data.Person_givenName}},{text:"e-mail",dataIndex:"Person_emailAddress",width:200,hidden:!0,flex:1},{text:"Data Collections",dataIndex:"Person_emailAddress",width:200,renderer:function(a,b,c){function d(a,b){return b&&0!=b?''+b+''+a+"":""}function e(a){var b="";return b=b+=d("Energy",a.data.energyScanCount),b+=d("XRF",a.data.xrfSpectrumCount),b+=d("Samples",a.data.sampleCount),b+=d("Test",a.data.testDataCollectionGroupCount),b+=d("Collects",a.data.dataCollectionGroupCount),b+=d("Calibration",a.data.calibrationCount),b+=d("Sample Changer",a.data.sampleChangerCount),b+=d("HPLC",a.data.hplcCount),b+"
    "}return e(c)}},{text:"End",dataIndex:"BLSession_endDate",hidden:!0,flex:1,renderer:function(a,b,c){return c.data.BLSession_endDate}},{text:"Comments",dataIndex:"comments",hidden:!1,flex:3,renderer:function(a,b,c){return c.data.comments?"
    "+c.data.comments+"
    ":void 0}}],viewConfig:{stripeRows:!0,getRowClass:function(a,b,c,d){}},listeners:{cellclick:function(b,c,d,e,f,g,h,i){a.onSelected.notify({proposalCode:e.data.Proposal_proposalCode,proposalNumber:e.data.Proposal_ProposalNumber})}}}),this.panel},UploaderWidget.prototype.getFileName=function(){var a=Ext.getCmp(this.id).value;return a.split("\\")[a.split("\\").length-1]},UploaderWidget.prototype.getForm=function(){var a=this;return Ext.create("Ext.form.Panel",{width:400,bodyPadding:20,border:0,frame:!0,items:[{xtype:"filefield",name:"file",id:this.id,fieldLabel:"File",labelWidth:50,msgTarget:"side",allowBlank:!1,anchor:"100%",buttonText:"Browse..."},{xtype:"hiddenfield",id:a.id+"fileName",name:"fileName",value:""}],buttons:[{text:"Upload",handler:function(){var b=this.up("form").getForm();b.isValid()&&(Ext.getCmp(a.id+"fileName").setValue(a.getFileName()),b.submit({url:a.url,waitMsg:"Uploading your file...",success:function(b,c){a.window.close(),a.onUploaded.notify()},failure:function(b,c){a.window.close(),a.onUploaded.notify()}}))}}]})},UploaderWidget.prototype.show=function(){this.window=Ext.create("Ext.window.Window",{title:"ISPyB File Uploader Manager",height:200,modal:!0,icon:"../images/icon/upload.svg",width:600,layout:"fit",items:this.getForm()}),this.window.show()},AutoprocIntegrationController.prototype.setPageBackground=ExiGenericController.prototype.setPageBackground,AutoprocIntegrationController.prototype.notFound=ExiGenericController.prototype.notFound,AutoprocIntegrationController.prototype.openFiles=function(a){var b=new AutoProcessingFileManager;b.show(),b.load(a)},AutoprocIntegrationController.prototype.init=function(){var a=this;Path.map("#/autoprocintegration/datacollection/:datacollectionId/main").to(function(){var a=new AutoProcIntegrationMainView;EXI.addMainPanel(a),a.panel.setLoading(!0);var b=new AutoProcIntegrationListView;EXI.addNavigationPanel(b),b.onSelect.attach(function(b,c){a.load(c)});var c=function(c,d){a.load(d[0]),console.log(d[0]),a.panel.setLoading(!1),b.load(d[0])};EXI.getDataAdapter({onSuccess:c}).mx.autoproc.getViewByDataCollectionId(this.params.datacollectionId)}).enter(this.setPageBackground),Path.map("#/autoprocintegration/datacollection/:datacollectionId/files").to(function(){a.openFiles(this.params.datacollectionId)}).enter(this.setPageBackground),Path.map("#/autoprocintegration/datacollection/:datacollectionId/phasingviewer/main").to(function(){var a=new PhasingViewerMainView;EXI.addMainPanel(a),a.load(this.params.datacollectionId)}).enter(this.setPageBackground)},BeamlineParameterController.prototype.setPageBackground=ExiGenericController.prototype.setPageBackground,BeamlineParameterController.prototype.notFound=ExiGenericController.prototype.notFound,BeamlineParameterController.prototype.init=function(){Path.map("#/mx/beamlineparameter/datacollection/:dataCollectionId/main").to(function(){var a=new BeamlineParameterMainView;EXI.addMainPanel(a),a.load(this.params.dataCollectionId)}).enter(this.setPageBackground)},CrystalController.prototype.setPageBackground=ExiGenericController.prototype.setPageBackground,CrystalController.prototype.notFound=ExiGenericController.prototype.notFound,CrystalController.prototype.init=function(){var a;Path.map("#/crystal/nav").to(function(){EXI.clearNavigationPanel(),EXI.setLoadingNavigationPanel(!0),a=new CrystalListView,a.onSelect.attach(function(a,b){location.hash="/mx/crystal/"+b[0].crystalId+"/main"}),EXI.addNavigationPanel(a);var b=function(b,c){a.load(c),EXI.setLoadingNavigationPanel(!1)};EXI.getDataAdapter({onSuccess:b}).mx.crystal.getCrystalsByProposalId()}).enter(this.setPageBackground),Path.map("#/mx/crystal/:crystalId/main").to(function(){var a=new CrystalMainView;EXI.addMainPanel(a),EXI.setLoadingMainPanel(!0);var b=function(b,c){a.load(c),EXI.setLoadingMainPanel(!1)};EXI.getDataAdapter({onSuccess:b}).mx.crystal.getCrystalById(this.params.crystalId)}).enter(this.setPageBackground)},ImageController.prototype.setPageBackground=ExiGenericController.prototype.setPageBackground,ImageController.prototype.notFound=ExiGenericController.prototype.notFound,ImageController.prototype.init=function(){},MxDataCollectionController.prototype.setPageBackground=ExiGenericController.prototype.setPageBackground,MxDataCollectionController.prototype.notFound=ExiGenericController.prototype.notFound,MxDataCollectionController.prototype.init=function(){Path.map("#/mx/datacollection/protein_acronym/:acronmys/main").to(function(){var a=new DataCollectionMxMainView;EXI.addMainPanel(a),EXI.hideNavigationPanel();var b=function(b,c){a.loadCollections(c)};EXI.getDataAdapter({onSuccess:b}).mx.dataCollection.getByAcronymList(this.params.acronmys)}).enter(this.setPageBackground),Path.map("#/mx/datacollection/session/:sessionId/main").to(function(){var a=new DataCollectionMxMainView;EXI.addMainPanel(a),EXI.hideNavigationPanel(),EXI.setLoadingMainPanel(!0);var b=function(b,c){a.loadCollections(c),EXI.setLoadingMainPanel(!1)};EXI.getDataAdapter({onSuccess:b}).mx.dataCollection.getDataCollectionViewBySessionId(this.params.sessionId);var c=function(b,c){a.loadEnergyScans(c)};EXI.getDataAdapter({onSuccess:c}).mx.energyscan.getEnergyScanListBySessionId(this.params.sessionId);var d=function(b,c){a.loadFXEScans(c)};EXI.getDataAdapter({onSuccess:d}).mx.xfescan.getXFEScanListBySessionId(this.params.sessionId)}).enter(this.setPageBackground),Path.map("#/mx/datacollection/datacollectionid/:datacollectionid/main").to(function(){var a=new DataCollectionMxMainView;EXI.addMainPanel(a),EXI.hideNavigationPanel(),EXI.setLoadingMainPanel(!0);var b=function(b,c){a.loadCollections(c),EXI.setLoadingMainPanel(!1)};EXI.getDataAdapter({onSuccess:b}).mx.dataCollection.getByDataCollectionId(this.params.datacollectionid)}).enter(this.setPageBackground),Path.map("#/mx/datacollection/:dataCollectionId/image/:imageId/main").to(function(){var a=new ImageMainView;EXI.hideNavigationPanel(),EXI.addMainPanel(a),a.load(this.params.imageId,this.params.dataCollectionId)}).enter(this.setPageBackground)},MxPrepare.prototype.setPageBackground=ExiGenericController.prototype.setPageBackground,MxPrepare.prototype.notFound=ExiGenericController.prototype.notFound,MxPrepare.prototype.init=function(){Path.map("#/mx/prepare/main").to(function(){EXI.clearNavigationPanel();var a=new PrepareMainView({currentStep:1});EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground),Path.map("#/mx/prepare/main/selectSampleChanger").to(function(){EXI.clearNavigationPanel();var a=new PrepareMainView({currentStep:2});EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground),Path.map("#/mx/prepare/main/loadSampleChanger").to(function(){EXI.clearNavigationPanel();var a=new PrepareMainView({currentStep:3});EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground),Path.map("#/mx/prepare/:dewarIds/main").to(function(){var a=new PrepareMainView,b=this.params.dewarIds.split(",");EXI.addMainPanel(a),EXI.setLoadingMainPanel();var c=function(c,d){for(var e=[],f=0;f",{xtype:"textfield",name:"field1",value:"",emptyText:"search by protein acronym",listeners:{specialkey:function(a,b){b.getKey()==b.ENTER&&(location.hash="/mx/datacollection/protein_acronym/"+a.getValue()+"/main")}}}]},MXMainMenu.prototype.getOnlineDataAnalisysMenu=function(){function a(a,b){"Dimple"==a.text&&(location.hash="/tool/dimple/main"),"Job list"==a.text&&(location.hash="/tool/list")}return Ext.create("Ext.menu.Menu",{items:[{text:"Dimple",checked:!1, -group:"theme",handler:a},"-",{text:"Job list",checked:!1,group:"theme",handler:a}]})},MXMainMenu.prototype.getProteinCrystalsMenu=function(){function a(a,b){"My Crystals"==a.text&&(location.hash="/crystal/nav"),"My Proteins"==a.text&&(location.hash="/protein/nav"),"Puck"==a.text&&(location.hash="/puck/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"My Crystals",icon:"../images/icon/macromolecule.png",handler:a},{text:"My Proteins",icon:"../images/icon/testtube.png",handler:a},{text:"Puck",icon:"../images/icon/testtube.png",handler:a}]})},MXMainMenu.prototype.getDataExplorerMenu=function(){function a(a,b){"Calendar"==a.text&&(location.hash="/session/nav"),"Experiments"==a.text&&(location.hash="/experiment/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"Calendar",icon:"../images/icon/sessions.png",handler:a}]})},AutoProcIntegrationListView.prototype.getPanel=ListView.prototype.getPanel,AutoProcIntegrationListView.prototype.load=ListView.prototype.load,AutoProcIntegrationListView.prototype.getFilter=ListView.prototype.getFilter,AutoProcIntegrationListView.prototype.getFields=ListView.prototype.getFields,AutoProcIntegrationListView.prototype.getColumns=ListView.prototype.getColumns,AutoProcIntegrationListView.prototype.getRow=function(a){var b="";return dust.render("autoprocintegration.listview",a.data,function(a,c){b=c}),b},CrystalListView.prototype.getPanel=ListView.prototype.getPanel,CrystalListView.prototype.load=ListView.prototype.load,CrystalListView.prototype.getFilter=ListView.prototype.getFilter,CrystalListView.prototype.getFields=ListView.prototype.getFields,CrystalListView.prototype.getColumns=ListView.prototype.getColumns,CrystalListView.prototype.getRow=function(a){var b="";return dust.render("crystal.listview",a.data,function(a,c){b=c}),b},DewarListView.prototype.getPanel=ListView.prototype.getPanel,DewarListView.prototype.load=ListView.prototype.load,DewarListView.prototype.getFields=ListView.prototype.getFields,DewarListView.prototype.getColumns=ListView.prototype.getColumns,DewarListView.prototype.getRow=function(a){var b="";return dust.render("dewarlistview",a.data,function(a,c){b=c}),b},PhasingListView.prototype.getPanel=ListView.prototype.getPanel,PhasingListView.prototype.load=ListView.prototype.load,PhasingListView.prototype.getFields=ListView.prototype.getFields,PhasingListView.prototype.getColumns=ListView.prototype.getColumns,PhasingListView.prototype.getFilter=ListView.prototype.getFilter,PhasingListView.prototype.getRow=function(a){var b="";return dust.render("phasinglistview",a.data,function(a,c){b=c}),b},PhasingListView.prototype.analysizeStep=function(a){return console.log(a),{type:a.phasingStepType}},PhasingListView.prototype.parsePrepareNode=function(a){return{type:"PREPARE",spaceGroupShortName:a.spaceGroupShortName,spaceGroup:a.spaceGroup,status:"Success",phasingStepId:a.phasingStepId}},PhasingListView.prototype.parseSubstructureNode=function(a){if(a&&a.children){var b="Failure";return a.children.length>0&&(b="Success"),0==a.children.length&&(b="Not found"),{type:"SUBS. DETERMINATION",spaceGroupShortName:a.spaceGroupShortName,spaceGroup:a.spaceGroup,runs:a.children.length,status:b}}},PhasingListView.prototype.getSubstructureStep=function(a){return a&&a.children?a.children:[]},PhasingListView.prototype.getPhasingSteps=function(a){var b=[];if(a)for(var c=this.getSubstructureStep(a),d=0;d24&&(c=!0),-1!=a[e].indexOf("Pseudo_free_CC")&&Number(b[e])>65&&(d=!0);return d&&c?1:0},PhasingListView.prototype.analizePhasingNodes=function(a){for(var b={withStatistics:0,withoutStatistics:0,successCondition:0},c=0;c0&&(c="Success"),0==b.length&&(c="Not found"),{type:"PHASING",runs:b.length,status:c,stats:this.analizePhasingNodes(b)}}},PhasingListView.prototype.parseModelNode=function(a){var b=this.getModelSteps(a),c="Failure";return b.length>0&&(c="Success"),0==b.length&&(c="Not found"),{type:"MODEL BUILDING",runs:b.length,status:c}},PhasingListView.prototype.formatData=function(a){var b=[];if(a)for(var c=0;cAcronym:"+a.data.acronym+"",b=b+"Name:"+a.data.name+"",b+""},ProteinListView.prototype.getFilter=function(a){return[{property:"acronym",value:a,anyMacth:!0}]},ProteinListView.prototype.getColumns=function(){var a=this;return[{text:"Proteins",flex:1,dataIndex:"bufferId",renderer:function(b,c,d){return a.getRow(d)}}]},ProteinListView.prototype.getFields=function(){return["acronym","name"]},PuckListView.prototype.getPanel=ListView.prototype.getPanel,PuckListView.prototype.load=ListView.prototype.load,PuckListView.prototype.getFilter=ListView.prototype.getFilter,PuckListView.prototype.getFields=ListView.prototype.getFields,PuckListView.prototype.getColumns=ListView.prototype.getColumns,PuckListView.prototype.getRow=function(a){var b="";return dust.render("puck.listview",a.data,function(a,c){b=c}),b},WorkflowStepListView.prototype.getPanel=ListView.prototype.getPanel,WorkflowStepListView.prototype.load=ListView.prototype.load,WorkflowStepListView.prototype.getRow=function(a){var b="";return a.data.imageURL=EXI.getDataAdapter().mx.workflowstep.getImageByWorkflowStepId(a.data.workflowStepId),dust.render("workflowstepmain_steps",a.data,function(a,c){b=c}),b},WorkflowStepListView.prototype.getFilter=function(a){return[{property:"acronym",value:a,anyMacth:!0}]},WorkflowStepListView.prototype.getColumns=function(){var a=this;return[{text:"Workflows",flex:1,dataIndex:"bufferId",renderer:function(b,c,d){return a.getRow(d)}}]},WorkflowStepListView.prototype.getFields=function(){return["acronym","name"]},AutoprocessingRanker.prototype.rank=function(a,b){function c(a,c){var d=a[b].replace(/\s/g,""),e=c[b].replace(/\s/g,"");return _.indexOf(ExtISPyB.spaceGroups,d)==_.indexOf(ExtISPyB.spaceGroups,e)?parseFloat(a.innerShell.rMerge)-parseFloat(c.innerShell.rMerge):_.indexOf(ExtISPyB.spaceGroups,e)-_.indexOf(ExtISPyB.spaceGroups,d)}function d(a,b){return parseFloat(a.innerShell.rMerge)-parseFloat(b.innerShell.rMerge)}var e=_.filter(a,function(a){return!!(a.innerShell&&a.innerShell.rMerge&&Number(a.innerShell.rMerge)<=10&&Number(a.innerShell.rMerge)>0)}),f=_.filter(a,function(a){return!!(a.innerShell&&a.innerShell.rMerge&&(Number(a.innerShell.rMerge)>10||Number(a.innerShell.rMerge)<=0))});if(e.sort(c),f.sort(d),e[0]&&(e[0].label="BEST"),f)for(var g=0;g 10";return _.concat(e,f)},AutoprocessingRanker.prototype.sortBySpaceGroup=function(a,b){try{for(var c=0;c'+c.data.fileName+""}}],flex:1,viewConfig:{stripeRows:!0}}),this.panel},AutoProcIntegrationGrid.prototype.parseData=function(a){for(var b=0;brfactor
    ',width:b,height:a},{html:'
    completeness
    ',width:b,height:a},{html:'
    sigmaI
    ',width:b,height:a}]},{xtype:"container",layout:"hbox",margin:20,items:[{html:'
    cc2
    ',width:b,height:a},{html:'
    sigmaAnno
    ',width:b,height:a},{html:'
    anno
    ',width:b,height:a}]}]}),this.panel},AutoProcIntegrationMainView.prototype.load=function(a){this.panel.setTitle("Autoprocessing"),this.autoProcIntegrationGrid.load(a);for(var b=[],c=0;c
    ",margin:"0 0 0 5",height:800}]}]}]})},ImageMainView.prototype.loadDetectorPanel=function(a,b){var c=this.makeHTMLTable("Detector",[["Model",b.Detector_detectorModel],["Manufacturer",b.Detector_detectorManufacturer],["Mode",b.Detector_detectorMode],["Pixel Size",a.pixelSize.x+" x "+a.pixelSize.y],["sensitive Area",a.sensitiveArea.x+" x "+a.sensitiveArea.y]],null,a.img),d=this.makeHTMLTable("Data Collection",[["Collected on",b.DataCollectionGroup_endTime],["Experiment Type",b.DataCollectionGroup_experimentType],["Centering",b.DataCollection_centeringMethod],["Exposure Timee",b.DataCollection_exposureTime],["Directory",b.DataCollection_imageDirectory],["BeamLine",b.BLSession_beamLineName],["Detector Distance",b.DataCollection_detectorDistance],["Flux",b.DataCollection_flux],["Resolution",b.DataCollection_resolution],["Transmission",b.DataCollection_transmission],["WaveLength",b.DataCollection_wavelength]]);return"WARNING: If image is not displayed please, refresh the page (F5)
    "+d+c},ImageMainView.prototype.makeHTMLTable=function(a,b,c,d){var e=800;null!=c&&null!=c["with"]&&(e=c["with"]);var f="";if(null!=b)for(var g=0;g";for(var h=0;h"+b[g][h]+"",null!=d&&0==g&&h==b[g].length-1&&(f=f+'
    '+a+'
    '+f+"
    "),f},ImageMainView.prototype.load=function(a,b){var c=this;this.panel.setTitle("Image");var d=EXI.getDataAdapter().mx.dataCollection.getImageById(a),e=function(a,b){var e=(b[0],b[0].DataCollection_wavelength),f=b[0].DataCollection_detectorDistance,g=b[0].DataCollection_xBeam,h=b[0].DataCollection_yBeam;null!=ExtISPyB.detectors[b[0].detectorModel]?c.detectorResolution=ExtISPyB.detectors[b[0].detectorModel]:alert("Not detector loaded"),c.imageViewer.load(d,e,f,g,h,c.detectorResolution),document.getElementById(c.id+"detector").innerHTML=c.loadDetectorPanel(c.detectorResolution,b[0])};EXI.getDataAdapter({onSuccess:e}).mx.dataCollection.getByDataCollectionId(b)},CrystalMainView.prototype.getPanel=MainView.prototype.getPanel,CrystalMainView.prototype.getContainer=function(){return this.panel=Ext.createWidget("tabpanel",{plain:!0,margin:"10 30 10 10",items:[{tabConfig:{title:"Samples list"},items:[{xtype:"container",layout:"fit",style:{borderColor:"gray",borderStyle:"solid",borderWidth:"1px","background-color":"white"},items:[this.samplesGrid.getPanel()]}]},{tabConfig:{title:"Create a new CrystalForm"},items:[{xtype:"container",layout:"fit",style:{borderColor:"gray",borderStyle:"solid",borderWidth:"1px","background-color":"white"},items:[this.crystalForm.getPanel()]}]}]}),this.panel},CrystalMainView.prototype.load=function(a){this.panel.setTitle(a.proteinVO.acronym),this.crystalForm.load(a),this.samplesGrid.load(a)},AutoProcessingFileManager.prototype.show=function(a){var b=this;this.autoProcStore=Ext.create("Ext.data.Store",{fields:["v_datacollection_processingPrograms","v_datacollection_summary_phasing_autoproc_space_group","v_datacollection_summary_phasing_autoProcProgramId","text"]});var c=Ext.create("Ext.form.ComboBox",{fieldLabel:"Choose",store:this.autoProcStore,queryMode:"local",displayField:"v_datacollection_processingPrograms",height:25,valueField:"v_datacollection_summary_phasing_autoProcProgramId",tpl:Ext.create("Ext.XTemplate",'','
    {v_datacollection_processingPrograms} {v_datacollection_summary_phasing_autoproc_space_group}
    ',"
    "),listeners:{scope:b,select:function(a,c,d){b.programId=c[0].data.v_datacollection_summary_phasing_autoProcProgramId,b.programId&&b.reloadData(b.programId,b.filtered)}}});Ext.create("Ext.window.Window",{height:600,title:"Autoprocessing Files Explorer",width:900,modal:!0,items:[{xtype:"container",layout:"hbox",margin:"10 5 10 5",items:[c,{xtype:"checkboxfield",boxLabel:"Filter by MTZ files",margin:"0 0 0 40",checked:!1,listeners:{scope:b,change:function(a,c,d){b.reloadData(b.programId,c)}}}]},this.autoProcIntegrationAttachmentGrid.getPanel()]}).show()},AutoProcessingFileManager.prototype.reloadData=function(a,b){this.programId=a,this.filtered=b;var c=_.flatten(this.attachments);this.programId&&(c=this.attachments[_.indexOf(this.autoProcProgramIds,this.programId)]),this.filtered&&(c=_.filter(c,function(a){return-1!=a.fileName.indexOf(".mtz")})),c||(c=[]),this.autoProcIntegrationAttachmentGrid.load(c)},AutoProcessingFileManager.prototype.load=function(a){var b=this,c=function(a,c){var d=function(a,c){c.length!=b.autoProcProgramIds.length&&(b.autoProcProgramIds=_.filter(b.autoProcProgramIds,function(a){return null!=a})),b.attachments=c,b.autoProcIntegrationAttachmentGrid.load(_.flatten(c)),b.autoProcIntegrationAttachmentGrid.panel.setLoading(!1)};return b.autoProcIntegrationAttachmentGrid.panel.setLoading("Retrieving files"),b.autoProcProgramIds=_.map(c[0],"v_datacollection_summary_phasing_autoProcProgramId"),b.autoProcStore.loadData(c[0]),b.autoProcProgramIds&&b.autoProcProgramIds.length>0?void EXI.getDataAdapter({onSuccess:d}).mx.autoproc.getAttachmentListByautoProcProgramsIdList(b.autoProcProgramIds):void b.autoProcIntegrationAttachmentGrid.panel.setLoading(!1)};this.autoProcIntegrationAttachmentGrid.panel.setLoading(),EXI.getDataAdapter({onSuccess:c}).mx.autoproc.getViewByDataCollectionId(a)},DataCollectionGrid.prototype.loadMagnifiers=function(a){for(var b=0;b0&&(e.isScreeningVisible=!1),d.data.WorkflowStep_workflowStepType&&(e.workflows=(new WorkflowSectionDataCollection).parseWorkflow(d.data)),null==e.workflows&&(e.workflows=[]),dust.render(a.template,e,function(a,b){f+=b}),f}},{header:"IDs",dataIndex:"dataCollectionGroup",name:"dataCollectionGroup",flex:1.5,hidden:!0,renderer:function(a,b,c){var d="";return dust.render("ids.mxdatacollectiongrid.template",c.data,function(a,b){d=b}),d}}];return b},DataCollectionMxMainView.prototype.getPanel=MainView.prototype.getPanel,DataCollectionMxMainView.prototype.getContainer=function(){return this.container=Ext.create("Ext.tab.Panel",{minHeight:900,padding:"5 40 0 5",items:[{title:"Data Collections",cls:"border-grid",id:this.id+"_dataCollectionTab",items:[this.genericDataCollectionPanel.getPanel()]},{title:"Energy Scans",cls:"border-grid",id:this.id+"_energyTab",items:[this.energyScanGrid.getPanel()]},{title:"Fluorescence Spectra",id:this.id+"_xfeTab",cls:"border-grid",items:[this.xfeScanGrid.getPanel()]}]}),this.container},DataCollectionMxMainView.prototype.loadEnergyScans=function(a){return a&&a.length>0?(Ext.getCmp(this.id+"_energyTab").setTitle(a.length+" Energy Scans"),void this.energyScanGrid.load(a)):void Ext.getCmp(this.id+"_energyTab").setDisabled(!0)},DataCollectionMxMainView.prototype.loadFXEScans=function(a){return a&&a.length>0?(Ext.getCmp(this.id+"_xfeTab").setTitle(a.length+" Fluorescence Spectra"),void this.xfeScanGrid.load(a)):void Ext.getCmp(this.id+"_xfeTab").setDisabled(!0)},DataCollectionMxMainView.prototype.loadCollections=function(a){var b=_.filter(a,function(a){return null!=a.DataCollection_dataCollectionId});if(b){for(var c=0;c",{xtype:"textfield",id:this.id+"_search",width:400, -emptyText:"enter search prefix, sample or protein",listeners:{specialkey:function(a,c){c.getKey()==c.ENTER&&(b.filter=a.getValue(),"PLATES"==b.renderingType?""!=Ext.getCmp(b.id+"_search").getValue()?b.platesDataCollectionGrid.select(b.filterBy(Ext.getCmp(b.id+"_search").getValue())):(Ext.getCmp(b.id+"_found").setText(""),b.reloadData(b.dataCollectionGroup)):b.reloadData(b.filterBy(a.getValue())))}}},{xtype:"tbtext",text:"",id:this.id+"_found"}]})},MXDataCollectionGrid.prototype.reloadData=function(a){this.panel.removeAll(),this.panel.add(this.activePanel.getPanel(this.dataCollectionGroup)),this.activePanel.load(a)},MXDataCollectionGrid.prototype.load=function(a){this.dataCollectionGroup=a,this.activePanel.load(this.dataCollectionGroup)},MXDataCollectionGrid.prototype.filterBy=function(a){var b=_.filter(this.dataCollectionGroup,function(b){for(var c=["DataCollection_imagePrefix","Protein_acronym","BLSample_name"],d=0;d0&&(j="Success"),b.push({name:i,dataCollectionId:a.DataCollection_dataCollectionId,run:f[i].run,success:f[i].success,spaceGroup:f[i].spaceGroup,status:j,items:[]})}}return b.length>0?{name:"Autoprocessing",items:b,status:"Success",datacollectionId:a.DataCollection_dataCollectionId}:{name:"Autoprocessing",datacollectionId:a.DataCollection_dataCollectionId,status:"Not found",items:[]}},OnlineResultSectionDataCollection.prototype.getPhasingResults=function(a){return null!=a?null!=a.Phasing_phasingStepType?{name:"Phasing",datacollectionId:a.DataCollection_dataCollectionId,items:[{name:"Phasing",status:"Success",items:[]}]}:{name:"Phasing",datacollectionId:a.DataCollection_dataCollectionId,items:[{name:"No phasing",status:"Not found",items:[]}]}:void 0},OnlineResultSectionDataCollection.prototype.parseData=function(a){var b=[];return b.push(this.getAutoprocResults(a)),b.push(this.getScreeningData(a)),b},OnlineResultSectionDataCollection.prototype.getHTML=function(a,b){var c=this.parseData(a);c[0].autoProcResults=b;var d="";return dust.render("resultsection.autoprocessing",c,function(a,b){d=b}),d},OnlineResultSectionDataCollection.prototype.getPhasingHTML=function(a){var b="";if(null!=a){if(null!=a.Phasing_phasingStepType){for(var c=a.Phasing_phasingStepType.split(","),d=[],e=0;e0&&(h="COLLECTED"),null==c[e.Container_containerId]&&(c[e.Container_containerId]=[]),c[e.Container_containerId].push({location:e.BLSample_location,state:h,selected:f,sample_name:e.BLSample_name,protein_acronym:e.Protein_acronym,protein_name:e.Protein_name,containerId:e.Container_containerId,container_code:e.Container_code,dewarId:e.Dewar_dewarId,dataCollectionIds:g})}for(containerId in i){i[containerId].load(c[containerId]);var j="";dust.render("plates.info.mxdatacollectiongrid.template",c[containerId][0],function(a,b){j+=b}),$("#puck-panel-"+containerId+"-info").html(j)}}};if(e.containerIds.length>0){var h=300,i={},j=$("
    "+f+"
    ");for(id in e.containerIds){var k=Number(e.containerIds[id]),l=_.filter(a.dataCollectionGroup,{Container_containerId:k});if(l){for(var m={},n=1;n<=l[0].Container_capacity;n++){var o=_.filter(l,{BLSample_location:n.toString()});if(o.length>0){var p=[];for(sample in o)p.push(o[sample].DataCollection_dataCollectionId);m[n]=p.toString()}}i[k]=new UniPuckWidget({mainRadius:h/4,enableMouseOver:!0,enableClick:!0,containerId:k,initSelected:e.selected[k],dataCollectionIds:m}),10==l[0].Container_capacity&&(i[k]=new SpinePuckWidget({mainRadius:h/4,enableMouseOver:!0,enableClick:!0,containerId:k,dataCollectionId:l.DataCollection_dataCollectionId,initSelected:e.selected[k],dataCollectionIds:m})),j.find("#puck-panel-"+e.containerIds[id]).html(i[k].getPanel())}}EXI.getDataAdapter({onSuccess:g}).mx.sample.getSamplesByContainerId(e.containerIds),f=j.html()}return f}},{header:"IDs",dataIndex:"dataCollectionGroup",name:"dataCollectionGroup",flex:1.5,hidden:!0,renderer:function(a,b,c){var d="";return dust.render("ids.mxdatacollectiongrid.template",c.data,function(a,b){d=b}),d}}];return b},PlatesDataCollectionGrid.prototype.select=function(a){var b={};for(sample in a)null==b[a[sample].Container_containerId]?b[a[sample].Container_containerId]=[a[sample].BLSample_location]:b[a[sample].Container_containerId].push(a[sample].BLSample_location);this.store.loadData([{containerIds:this.getContainersId(this.dataCollectionGroup),selected:b}])},PlatesDataCollectionGrid.prototype.getContainersId=function(a){return _.filter(Object.keys(_.keyBy(a,"Container_containerId")),function(a){return isNumber(a)})},PlatesDataCollectionGrid.prototype.load=function(a){this.dataCollectionGroup=a,this.store.loadData([{containerIds:this.getContainersId(this.dataCollectionGroup),selected:{}}])},ThumbnailSectionDatacollection.prototype.getHTML=function(a){var b="";return dust.render("thumbnailsection",[{urlThumbnail:EXI.getDataAdapter().mx.dataCollection.getThumbNailById(a.lastImageId),url:EXI.getDataAdapter().mx.dataCollection.getImageById(a.lastImageId),ref:"#/mx/beamlineparameter/datacollection/"+a.DataCollection_dataCollectionId+"/main",runNumber:a.DataCollection_dataCollectionNumber,prefix:a.DataCollection_imagePrefix,comments:a.DataCollectionGroup_comments,sample:a.BLSample_name,folder:a.DataCollection_imageDirectory}],function(a,c){b=c}),b},UncollapsedDataCollectionGrid.prototype._getAutoprocessingStatistics=DataCollectionGrid.prototype._getAutoprocessingStatistics,UncollapsedDataCollectionGrid.prototype.getColumns=DataCollectionGrid.prototype.getColumns,UncollapsedDataCollectionGrid.prototype.loadMagnifiers=DataCollectionGrid.prototype.loadMagnifiers,UncollapsedDataCollectionGrid.prototype.load=function(a){try{this.dataCollectionGroup=a,this.store.loadData(a),this.loadMagnifiers(a),this.attachCallBackAfterRender()}catch(b){console.log(b)}},UncollapsedDataCollectionGrid.prototype.getPanel=function(){return this.panel=Ext.create("Ext.grid.Panel",{border:1,store:this.store,id:this.id,minHeight:900,disableSelection:!0,columns:this.getColumns(),viewConfig:{enableTextSelection:!0,stripeRows:!1}}),this.panel},UncollapsedDataCollectionGrid.prototype.displayDataCollectionTab=function(a,b){var c=function(b,c){var d="";dust.render("datacollections.mxdatacollectiongrid.template",c,function(a,b){d+=b}),$(a).html(d)},d=function(b,c){$(a).html("Error retrieving data "+c)};EXI.getDataAdapter({onSuccess:c,onError:d}).mx.dataCollection.getDataCollectionsByDataCollectionGroupId(b)},UncollapsedDataCollectionGrid.prototype.displayResultAutoprocessingTab=function(a,b){var c=function(b,c){var d="";dust.render("collapsed.autoprocintegrationgrid.template",(new AutoProcIntegrationGrid).parseData(c[0]),function(a,b){d+=b}),$(a).html(d)};EXI.getDataAdapter({onSuccess:c}).mx.autoproc.getViewByDataCollectionId(b)},UncollapsedDataCollectionGrid.prototype.displayWorkflowsTab=function(a,b){var c=_.find(grid.dataCollectionGroup,{DataCollection_dataCollectionId:Number(b)});if(c){var d="",e=(new WorkflowSectionDataCollection).parseWorkflow(c);dust.render("workflows.mxdatacollectiongrid.template",e,function(a,b){d+=b}),$(a).html(d)}},UncollapsedDataCollectionGrid.prototype.displayPhasingTab=function(a,b){var c=function(b,c){function d(a){return _.keys(_.keyBy(a,"PhasingStep_phasingStepId")).toString()}function e(a){var b=_.keys(_.keyBy(a,"csv"));return _.filter(b,function(a){return"null"!=a})}function f(a){if(a.metric)for(var b=a.metric.split(","),c=a.statisticsValue.split(","),d=0;d0){var h=[];for(sample in g)h.push(g[sample].DataCollection_dataCollectionId);e[f]=h.toString()}}var i={mainRadius:100,enableMouseOver:!1,enableClick:!1,dataCollectionIds:e},j=new UniPuckWidget(i);10==c.Container_capacity&&(j=new SpinePuckWidget(i)),$("#sample_puck_layout_"+b).html(j.getPanel());var k=function(a,b){b&&j.loadSamples(b,c.BLSample_location)};EXI.getDataAdapter({onSuccess:k}).mx.sample.getSamplesByContainerId(c.Container_containerId)}},UncollapsedDataCollectionGrid.prototype.attachCallBackAfterRender=function(){var a=this,b=document.getElementById(document.getElementById(a.id).parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.id),c={bind:"event",appendScroll:b,beforeLoad:function(a){console.log('image "'+a.data("src")+'" is about to be loaded')},onFinishedAll:function(){EXI.mainStatusBar.showReady()}},d=(setTimeout(function(){$(".img-responsive").lazy(c)},500),setTimeout(function(){$(".smalllazy").lazy(c)},500),function(b){this.grid=b,$('a[data-toggle="tab"]').on("shown.bs.tab",function(b){var c=$(b.target).attr("href");if(c.startsWith("#dc")){var d=c.slice(4);a.displayDataCollectionTab(c,d)}if(c.startsWith("#re")){var e=c.slice(4);a.displayResultAutoprocessingTab(c,e)}if(c.startsWith("#sa")){var e=c.slice(4);a.displaySampleTab(c,e)}if(c.startsWith("#wf")){var e=c.slice(4);a.displayWorkflowsTab(c,e)}if(c.startsWith("#ph")){var d=c.slice(4);a.displayPhasingTab(c,d)}})});setTimeout(d,500,a)},WorkflowSectionDataCollection.prototype.parseWorkflow=function(a){var b=[],c=[],d=[],e=[];if(null!=a.WorkflowStep_workflowStepType){b=a.WorkflowStep_workflowStepType.split(","),c=a.WorkflowStep_status.split(","),d=a.WorkflowStep_workflowStepId.split(",");for(var f=0;f
    VIEWER
    "}return d.data.fileName.endsWith(".pdb")&&(e=a.findPDBMatch(d.data.fileName),null!=e)?(e=EXI.getDataAdapter().mx.phasing.downloadPhasingFilesByPhasingAttachmentId(e.phasingProgramAttachmentId),f="viewers/pv/index.html?pdb="+e,"
    VIEWER
    "):void 0}},{text:"filePath",flex:1,hidden:!0,dataIndex:"filePath"},{xtype:"actioncolumn",flex:.3,text:"Download",items:[{icon:"../images/icon/ic_get_app_black_24dp.png",tooltip:"Download",handler:function(a,b,c){window.open(EXI.getDataAdapter().mx.phasing.downloadPhasingFilesByPhasingAttachmentId(a.store.getAt(b).data.phasingProgramAttachmentId))}}]}]}),this.panel},PhasingGrid.prototype.load=function(a){this.store.loadData(a,!1)},PhasingGrid.prototype._getTbar=function(){var a=[];return a.push(Ext.create("Ext.Action",{text:"Add",icon:"images/icon/add.png",disabled:!1,handler:function(a,b){}})),a},PhasingGrid.prototype.getPanel=function(){return this.store=Ext.create("Ext.data.Store",{fields:["phasingStepId"]}),this.store.sort("phasingStepId"),this.panel=Ext.create("Ext.grid.Panel",{title:"Phasing steps",store:this.store,cls:"border-grid",layout:"fit",columns:[{text:"phasingStepId",hidden:!0,dataIndex:"phasingStepId",flex:1},{text:"Space Group",hidden:!0,dataIndex:"spaceGroupShortName",flex:1},{text:"Prepare",dataIndex:"phasingStepType",flex:.2,renderer:function(a,b,c){var d="";try{dust.render("phasinggrid.prepare",c.data,function(a,b){d=b})}catch(a){return"Parsing error"}return d}},{text:"Substructure Determination",dataIndex:"phasingStepType",flex:.4,renderer:function(a,b,c){var d="";try{dust.render("phasinggrid.substructure",c.data.children,function(a,b){d=b})}catch(a){return"Parsing error"}return d}},{text:"Phasing",dataIndex:"phasingStepType",flex:1,renderer:function(a,b,c){var d="",e=function(a,b){d=d+"
    "+b};try{for(var f=c.data.children,g=0;g0)for(var f=0;fc&&Number(a[b])(CC)",flex:1,dataIndex:"Pseudo_free_CC"},{text:"Partial Model
    (CC)",flex:1,dataIndex:"CC of partial model"},{text:"Avg. Fragment
    Length",flex:1,dataIndex:"Average Fragment Length"}]}),this.panel},ConfirmShipmentView.prototype.getPanel=function(){var a=this;return this.pucksList=Ext.create("Ext.panel.Panel",{cls:"rounded-border",title:"Sample Changer",width:600,height:490,margin:5,autoScroll:!0,items:[]}),this.panel=Ext.create("Ext.panel.Panel",{height:500,layout:{type:"hbox",align:"center",pack:"center"},margin:5,items:[this.pucksList]}),this.panel.on("boxready",function(){a.sampleChangerName&&a.loadSampleChanger(a.sampleChangerName)}),this.panel},ConfirmShipmentView.prototype.loadSampleChanger=function(a){var b=this,c={radius:200,isLoading:!1},d=null;if("FlexHCD"==a?d=new FlexHCDWidget(c):"SC3"==a&&(d=new SC3Widget(c)),this.sampleChangerWidget=d,this.panel.insert(0,d.getPanel()),"undefined"!=typeof Storage){var e=sessionStorage.getItem("puckData");e&&this.sampleChangerWidget.load(JSON.parse(e))}this.sampleChangerWidget.render(),this.sampleChangerWidget.onPuckSelected.attach(function(a,c){b.selectPuck(c)}),this.loadPucksList(this.sampleChangerWidget)},ConfirmShipmentView.prototype.loadPucksList=function(a){var b="";dust.render("confirm.table.prepare.template",{pucks:Object.values(a.getPuckData())},function(a,c){b=c}),this.pucksList.add({html:b})},ContainerPrepareSpreadSheet.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{storeId:"spreadSheedStore",fields:["shippingName","barCode","containerCode","containerType","sampleCount","beamlineName","sampleChangerLocation","dewarId","containerId","capacity"],data:[]}),this.panel=Ext.create("Ext.grid.Panel",{title:"Loaded or to be Loaded on MxCube",store:this.store,cls:"border-grid",height:this.height,width:this.width,flex:.5,columns:[{header:"Shipment",dataIndex:"shippingName",type:"text",flex:1,readOnly:!0},{header:"DewarId",dataIndex:"dewarId",type:"text",flex:1,hidden:!0,readOnly:!0},{header:"ContainerId",dataIndex:"containerId",hidden:!0,type:"text",flex:1,readOnly:!0},{header:"Container",dataIndex:"containerCode",type:"text",flex:1,readOnly:!0,renderer:function(a,b,c,d){return c.data.containerCode+" ("+c.data.sampleCount+" samples)"}},{header:"Barcode",dataIndex:"barCode",type:"text",flex:1,readOnly:!0},{header:"Container type",dataIndex:"containerType",type:"text",flex:.75,readOnly:!0,renderer:function(a,b,c,d){switch(c.data.containerType){case"Unipuck":return"UNIPUCK";case"Spinepuck":return"SPINEPUCK";default:return c.data.containerType}}},{header:"Samples",dataIndex:"sampleCount",type:"text",flex:.6,hidden:!0,readOnly:!0},{header:"Selected Beamline",dataIndex:"beamlineName",type:"dropdown",flex:1,source:EXI.credentialManager.getBeamlineNames()},{header:"Sample Changer Location",dataIndex:"sampleChangerLocation",flex:1,type:"text"}],viewConfig:{getRowClass:function(b,c,d,e){if(""==b.get("sampleChangerLocation")||" "==b.get("sampleChangerLocation")||null==b.get("sampleChangerLocation"))return"warning-row";for(var f=0;f0&&b.get("sampleChangerLocation")==g.sampleChangerLocation)return"puck-error"}if(a.sampleChangerWidget){if(b.get("sampleChangerLocation")>a.sampleChangerWidget.sampleChangerCapacity)return"warning-row";var h=a.sampleChangerWidget.findPuckById(a.sampleChangerWidget.convertSampleChangerLocationToId(b.get("sampleChangerLocation")));if(h.capacity!=b.get("capacity"))return"warning-row"}return""}},listeners:{itemclick:function(b,c,d,e,f){a.onSelectRow.notify(c)}},margin:5,items:[{html:"
    ",flex:1,height:400}]}),this.panel},ContainerPrepareSpreadSheet.prototype.loadProcessingDewars=function(a){var b=this;this.panel.setLoading();var c=function(c,d){var e=_.filter(d,function(a){return"processing"==a.shippingStatus});b.load(e,a),b.panel.setLoading(!1),b.onLoaded.notify(e)},d=function(a,c){EXI.setError("Ops, there was an error"),b.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c,onError:d}).proposal.dewar.getDewarsByProposal()},ContainerPrepareSpreadSheet.prototype.load=function(a,b){this.dewars=a,b&&(this.sampleChangerWidget=b);var c=[],d=null;if("undefined"!=typeof Storage)var d=sessionStorage.getItem("selectedBeamline");for(dewar in a){var e=a[dewar].beamlineName;d&&(e=d);var f="Unipuck";a[dewar].capacity&&10==a[dewar].capacity&&(f="Spinepuck"),c.push({shippingName:a[dewar].shippingName,barCode:a[dewar].barCode,containerCode:a[dewar].containerCode,containerType:f,sampleCount:a[dewar].sampleCount,beamlineName:e,sampleChangerLocation:a[dewar].sampleChangerLocation,dewarId:a[dewar].dewarId,containerId:a[dewar].containerId,capacity:a[dewar].capacity})}this.store.loadData(c)},ContainerPrepareSpreadSheet.prototype.updateSampleChangerLocation=function(a,b){for(var c=this,d=_.filter(c.panel.store.data.items,function(b){return b.data.containerId==a}),e=0;e=a;a++)a==this.currentStep?$("#step-"+a).addClass("active-step"):$("#step-"+a).removeClass("active-step")},PrepareMainView.prototype.changeStep=function(a){this.currentStep+=a,location.href="#/mx/prepare/main"+this.steps[this.currentStep-1]},PrepareMainView.prototype.getPanel=function(){var a=this;return this.container=Ext.create("Ext.panel.Panel",{layout:{type:"hbox",pack:"center"},height:this.height,width:this.width,cls:"border-grid",items:[]}),this.panel=Ext.create("Ext.panel.Panel",{buttons:this.getButtons(),layout:{type:"vbox",align:"center"},width:100,height:this.height+200,items:[this.getToolBar(),this.container]}),this.panel.on("boxready",function(){a.manageButtons()}),this.panel},PrepareMainView.prototype.getToolBar=function(){var a="";return dust.render("toolbar.prepare.template",[],function(b,c){a=c}),{html:a}},PrepareMainView.prototype.getButtons=function(){var a=this;return[{text:"Previous",cls:"btn btn-lg btn-success",id:"previous-button",margin:"0 0 0 300",handler:function(){a.currentStep>0&&a.changeStep(-1)}},"->",{text:"Next",cls:"btn btn-lg btn-success",id:"next-button",margin:"0 300 0 0",handler:function(b,c,d){a.currentStep<4&&a.changeStep(1)}}]},PrepareMainView.prototype.load=function(){var a=this;if($(".notifyjs-corner").empty(),this.panel.setTitle("Prepare Experiment"),this.container.removeAll(),1==this.currentStep){a.container.add(a.dewarListSelector.getPanel()),a.dewarListSelector.panel.setLoading();var b=function(b,c){a.containers=c,a.dewarListSelector.load(c),a.dewarListSelector.panel.setLoading(!1)},c=function(b,c){EXI.setError("Ops, there was an error"),a.dewarListSelector.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:b,onError:c}).proposal.dewar.getDewarsByProposal()}else if(2==this.currentStep){this.container.add(this.sampleChangerSelector.getPanel()),this.sampleChangerSelector.panel.setLoading();var b=function(b,c){a.containers=c;var d=_.uniq(_.map(_.filter(a.containers,function(a){return"processing"==a.shippingStatus}),"beamlineName"));d.length>1?$.notify("Warning: Multiple beamlines selected","warn"):1==d.length&&(EXI.credentialManager.getBeamlineNames().indexOf(d[0])>=0?a.sampleChangerSelector.selectRowByBeamlineName(d[0]):$.notify("Warning: Unknown beamline","warn")),a.sampleChangerSelector.panel.setLoading(!1)},c=function(b,c){EXI.setError("Ops, there was an error"),a.sampleChangerSelector.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:b,onError:c}).proposal.dewar.getDewarsByProposal()}else 3==this.currentStep&&(this.container.add(this.loadSampleChangerView.getPanel()),this.loadSampleChangerView.load())},PrepareMainView.prototype.save=function(a,b){"undefined"!=typeof Storage&&sessionStorage.setItem(a,b)},PrepareMainView.prototype.removeFromStorage=function(a){"undefined"!=typeof Storage&&sessionStorage.removeItem(a)},PrepareMainView.prototype.storeSampleChangerWidget=function(a){var b=a.getPuckData();this.save("puckData",JSON.stringify(b))},PreviewPanelView.prototype.getPanel=function(){var a=this;this.infoPanel=Ext.create("Ext.panel.Panel",{width:this.width/2,height:this.height/2,border:2,items:[]}),this.instructionsButton=Ext.create("Ext.Button",{text:"",width:this.width/2,height:this.height/2,scale:"large",style:{background:"#444444"},listeners:{click:function(b){"EMPTY"==b.text&&a.onEmptyButtonClicked.notify()}}});var b=Ext.create("Ext.panel.Panel",{layout:"vbox",width:this.width/2,height:this.height,items:[this.infoPanel,this.instructionsButton]});return this.previewPanel=Ext.create("Ext.panel.Panel",{width:this.width/2,height:this.height,items:[]}),this.panel=Ext.create("Ext.panel.Panel",{margin:5,cls:"border-grid",layout:"hbox",width:this.width,height:this.height,items:[b,this.previewPanel]}),this.panel},PreviewPanelView.prototype.load=function(a,b,c,d){function e(a,b){b.length>0&&g.puckWidget.loadSamples(b)}this.clean();var f="";dust.render("info.grid.template",c,function(a,b){f=b}),this.infoPanel.removeAll(),this.infoPanel.add({html:f,margin:6}),this.instructionsButton.setText(d),this.puckData.containerId=a,10==b?this.puckData.puckType="Spinepuck":this.puckData.puckType="Unipuck";var g=new PuckWidgetContainer(this.puckData);this.previewPanel.add(g.getPanel()),EXI.getDataAdapter({onSuccess:e}).mx.sample.getSamplesByContainerId(a)},PreviewPanelView.prototype.clean=function(){this.previewPanel.removeAll(),this.infoPanel.removeAll(),this.instructionsButton.setText("")},WorkflowStepMainView.prototype.getPanel=MainView.prototype.getPanel,WorkflowStepMainView.prototype.getContainer=function(){return this.mainPanel=Ext.create("Ext.panel.Panel",{cls:"border-grid",autoScroll:!0,title:"Workflow",margin:"10 0 0 10",flex:1,items:[]}),this.mainPanel},WorkflowStepMainView.prototype.onBoxReady=function(){},WorkflowStepMainView.prototype.getGrid=function(a,b,c){for(var d=Ext.create("Ext.data.Store",{fields:b,data:c}),e=[],f=0;f':''}},{text:"y",dataIndex:"",id:this.id+"y",flex:.5,renderer:function(b,c,d){var e=a.id+"_"+d.data.name+"_Y";return d.data.y?'':''}}],listeners:{cellclick:function(b,c,d,e,f,g,h,i){2==d&&a.setXColumn(e.data.name,document.getElementById(a.id+"_"+e.data.name+"_X").checked),3==d&&a.setYColumn(e.data.name,document.getElementById(a.id+"_"+e.data.name+"_Y").checked),a.parseData()}}}),this.grid},XfeViewerMainView.prototype.setXColumn=function(a,b){var c=_.filter(this.data.labels,function(b){return b.name==a});c&&(this.data.labels=_.map(this.data.labels,function(a){return a.x=!1,a}),c[0]&&(c[0].x=b,c[0].y=!b)),this.store.loadData(this.data.labels)},XfeViewerMainView.prototype.setYColumn=function(a,b){var c=_.filter(this.data.labels,function(b){return b.name==a});c&&c[0]&&(c[0].y=b),this.store.loadData(this.data.labels)},XfeViewerMainView.prototype.getContainer=function(){var a=this;return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:10,items:[{xtype:"container",margin:"5 0 0 5",width:300,items:[this.getGrid()]},{xtype:"container",flex:.8,margin:"5 0 0 5",items:[{html:'
    ',cls:"border-grid",id:this.id+"containerLayout",height:700},{html:'Results produced by PyMca',cls:"border-grid",margin:"2 0 0 0",flex:1,height:20}]}]})},XfeViewerMainView.prototype.getSumForLabels=function(a,b){var c=this;try{var d=function(a){return{name:a[0].name,x:a[0].x,y:a[0].y,value:a[1]}},e=_.map(_.zip(a,b),d);return e=_.reject(e,function(a){return-1!=_.indexOf(c.filters,a.name)})}catch(f){console.log(f)}},XfeViewerMainView.prototype.sumByColums=function(a,b){for(var c=new Array(a.length),d=0;d',id:this.id}]}),this.plotPanel.on("afterrender",function(){}),this.plotPanel.on("resize",function(){}),this.plotPanel},CurvePlotter.prototype.getPointCount=function(){return this.dygraph.rawData_.length},CurvePlotter.prototype.getColors=function(){return this.dygraph.getColors()},CurvePlotter.prototype.getLabels=function(){return this.dygraph.getLabels()},CurvePlotter.prototype.render=function(a){var b=this;null!=document.getElementById(this.targetId)&&(document.getElementById(this.targetId).innerHTML="",this.width=this.plotPanel.getWidth(),this.height=this.plotPanel.getHeight(),document.getElementById(this.targetId).setAttribute("style","border: 1px solid #000000; height:"+(this.plotPanel.getHeight()-1)+"px;width:"+(this.plotPanel.getWidth()-2)+"px;"),Ext.getCmp(this.id).setHeight(this.plotPanel.getHeight()),Ext.getCmp(this.id).setWidth(this.plotPanel.getWidth()),this.dygraph=new Dygraph(document.getElementById(this.targetId),a,{title:this.title,titleHeight:20,labelsSeparateLines:!0,errorBars:!0,connectSeparatedPoints:!0,pointClickCallback:function(a,c){b.onPointClickCallback.notify(c.name)}}),this.dygraph.ready(function(){b.onRendered.notify()}))},CurvePlotter.prototype.loadMerge=function(a,b,c,d){this.render(EXI.getDataAdapter().saxs.hplc.getFramesMergeURL(a,b,c,d))},CurvePlotter.prototype.loadHPLCFrame=function(a,b){this.render(EXI.getDataAdapter().saxs.hplc.getHPLCFramesScatteringURL(a,b))},CurvePlotter.prototype.loadUrl=function(a){this.render(a)},CurvePlotter.prototype.load=function(a){this.render(EXI.getDataAdapter().saxs.frame.getFramesURL(a.frame,a.average,a.subtracted,a.sampleaverage,a.bufferaverage))},AutoProcIntegrationCurvePlotter.prototype.getPointCount=CurvePlotter.prototype.getPointCount,AutoProcIntegrationCurvePlotter.prototype.getLabels=CurvePlotter.prototype.getLabels,AutoProcIntegrationCurvePlotter.prototype.toCSV=function(a,b){for(var c=a.toString()+"\n",d=0;d
    '},AutoProcIntegrationCurvePlotter.prototype.getPanel=function(){return this.plotPanel=Ext.create("Ext.panel.Panel",{layout:{type:"fit"},height:this.height,margin:this.margin,items:[{html:this.getHTML(),id:this.id,style:{border:"1px solid black"},height:this.height,border:1}]}),this.plotPanel},ElectronDensityViewer.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{buttons:this.getToolBar(),items:[{html:'
    ',height:800}]}),this.panel.on("boxready",function(){a.load()}),this.panel},ElectronDensityViewer.prototype.load=function(){var a=this,b="";dust.render("electron.density.viewer.template",a.sample,function(a,c){b+=c}),$(document.body).html(b),init_gui(),this.XV=new XtalViewer("Viewer",null,!0,!0),draw_selection_console(this.XV),this.XV.animate(),getQuery(this.XV)||(this.XV.load_pdb("data/1mru.pdb","1mru"),this.XV.load_dsn6_map("data/1mru.omap","2mFo-Dfc",0),this.XV.animate()),this.XV.enable_leap_motion()},ElectronDensityViewer.prototype.getToolBar=function(){var a=this;return[{xtype:"button",text:"Debugger",handler:function(){a.XV}}]},EnergyScanGrid.prototype.getPanel=function(a){return this.store=Ext.create("Ext.data.Store",{fields:["dataCollectionGroup"]}),this.panel=Ext.create("Ext.grid.Panel",{border:1,padding:5,store:this.store,disableSelection:!0,columns:[{header:"",dataIndex:"dataCollectionGroup",name:"dataCollectionGroup",flex:.2,renderer:function(a,b,c){var d="";return c.data.choochURL=EXI.getDataAdapter().mx.energyscan.getChoochJpegByEnergyScanId(c.data.energyScanId),dust.render("energyscangrid.template",c.data,function(a,b){d=b}),d}}],viewConfig:{enableTextSelection:!0,stripeRows:!0}}),this.panel},EnergyScanGrid.prototype.load=function(a){this.store.loadData(a)},SampleChangerWidget.prototype.blink=function(){$("#"+this.id).fadeIn().fadeOut().fadeIn().fadeOut().fadeIn()},SampleChangerWidget.prototype.createPucks=function(a,b,c,d,e,f){var g=d*Math.sin(Math.PI/this.data.cells*e);this.pucks[a]=[];for(var h=0;Math.abs(h)g.capacity&&(e.hasError=!0,d=_.union(d,[g]),$("#"+g.id).addClass("puck-error")),e.Dewar_dewarId!=h&&(d=_.union(d,[g]),$("#"+g.id).addClass("puck-error")),""==e.BLSample_location&&(e.hasError=!0,d=_.union(d,[g]),$("#"+g.id).addClass("puck-error"))}else g.containerId=c[g.id][0].Container_containerId,d.push(g),$("#"+g.id).addClass("puck-error");g.loadSamples(c[g.id])}return d},SampleChangerWidget.prototype.load=function(a){for(i in _.keys(a)){var b=_.keys(a)[i].substring(_.keys(a)[i].indexOf("-")+1),c=this.findPuckById(this.id+"-"+b);c.load(a[_.keys(a)[i]].cells)}},SampleChangerWidget.prototype.getStructure=function(a){var b="";return dust.render("structure.sampleChanger.template",a,function(a,c){b=c}),b},SampleChangerWidget.prototype.findPuckById=function(a){var b=this.getAllPucks();return _.find(b,function(b){return b.puckWidget.id==a}).puckWidget},SampleChangerWidget.prototype.getAllPucks=function(){var a=[];for(puckType in this.pucks)a=a.concat(this.pucks[puckType]);return a},SampleChangerWidget.prototype.getAllFilledPucks=function(){var a=this.getAllPucks();return _.filter(a,function(a){return!a.puckWidget.isEmpty})},SampleChangerWidget.prototype.render=function(){var a=this.getAllPucks();for(b in a){var b=a[b].puckWidget;for(cell in b.data.cells)b.render(b.data.cells[cell].location)}},SampleChangerWidget.prototype.setClickListeners=function(){var a=this,b=this.getAllPucks();for(puckIndex in b){var c=b[puckIndex];$("#"+c.puckWidget.id).css("cursor","pointer"),$("#"+c.puckWidget.id).unbind("click").click(function(b){b.target.classList.contains("puck-disabled")||a.onPuckSelected.notify(a.findPuckById(b.target.id))})}},SampleChangerWidget.prototype.disablePucksOfDifferentCapacity=function(a){var b=this.getAllPucks();for(puckIndex in b){var c=b[puckIndex];c.capacity!=a&&($("#"+c.puckWidget.id).addClass("puck-disabled"),c.puckWidget.disableAllCells())}},SampleChangerWidget.prototype.disablePuck=function(a){$("#"+a.id).addClass("puck-disabled"),a.disableAllCells()},SampleChangerWidget.prototype.enableAllPucks=function(){var a=this.getAllPucks();for(puckIndex in a){var b=a[puckIndex];$("#"+b.puckWidget.id).removeClass("puck-disabled"),b.puckWidget.allowAllCells()}},SampleChangerWidget.prototype.enablePuck=function(a){$("#"+a.id).removeClass("puck-disabled"),a.allowAllCells()},SampleChangerWidget.prototype.removeClassToAllPucks=function(a){var b=this.getAllPucks();for(puckIndex in b){var c=b[puckIndex];$("#"+c.puckWidget.id).removeClass(a),c.puckWidget.allowAllCells()}},SampleChangerWidget.prototype.getPuckData=function(){var a=this.getAllFilledPucks(),b={};for(puckContainerIndex in a){var c=a[puckContainerIndex],d=c.puckWidget.id;c.puckWidget.sampleChangerLocation=this.convertIdToSampleChangerLocation(d),c.puckWidget.data.sampleChangerLocation=this.convertIdToSampleChangerLocation(d),b[d]=c.puckWidget.data}return b},SampleChangerWidget.prototype.emptyAllPucks=function(){var a=this.getAllFilledPucks();for(puckIndex in a){var b=a[puckIndex];b.puckWidget.emptyAll()}},FlexHCDWidget.prototype.blink=SampleChangerWidget.prototype.blink,FlexHCDWidget.prototype.getPuckIndexFromAngle=SampleChangerWidget.prototype.getPuckIndexFromAngle,FlexHCDWidget.prototype.createPucks=SampleChangerWidget.prototype.createPucks,FlexHCDWidget.prototype.getPanel=SampleChangerWidget.prototype.getPanel,FlexHCDWidget.prototype.load=SampleChangerWidget.prototype.load,FlexHCDWidget.prototype.getStructure=SampleChangerWidget.prototype.getStructure,FlexHCDWidget.prototype.findPuckById=SampleChangerWidget.prototype.findPuckById,FlexHCDWidget.prototype.getAllPucks=SampleChangerWidget.prototype.getAllPucks,FlexHCDWidget.prototype.render=SampleChangerWidget.prototype.render,FlexHCDWidget.prototype.setClickListeners=SampleChangerWidget.prototype.setClickListeners,FlexHCDWidget.prototype.disablePucksOfDifferentCapacity=SampleChangerWidget.prototype.disablePucksOfDifferentCapacity,FlexHCDWidget.prototype.allowAllPucks=SampleChangerWidget.prototype.allowAllPucks,FlexHCDWidget.prototype.getPuckData=SampleChangerWidget.prototype.getPuckData,FlexHCDWidget.prototype.getAllFilledPucks=SampleChangerWidget.prototype.getAllFilledPucks,FlexHCDWidget.prototype.loadSamples=SampleChangerWidget.prototype.loadSamples,FlexHCDWidget.prototype.emptyAllPucks=SampleChangerWidget.prototype.emptyAllPucks,FlexHCDWidget.prototype.enableAllPucks=SampleChangerWidget.prototype.enableAllPucks,FlexHCDWidget.prototype.disablePuck=SampleChangerWidget.prototype.disablePuck,FlexHCDWidget.prototype.enablePuck=SampleChangerWidget.prototype.enablePuck,FlexHCDWidget.prototype.removeClassToAllPucks=SampleChangerWidget.prototype.removeClassToAllPucks,FlexHCDWidget.prototype.createStructure=function(){for(var a=0;a=a&&a>0){var b=Math.floor(a/3)+1,c=a%3;return 0==c&&(b--,c=3),this.id+"-"+b+"-"+c}return null},PuckWidget.prototype.addCirclePathCells=function(a,b,c,d){for(var e=Math.min(d*Math.sin(Math.PI/b*c),(a.mainRadius-d)*c),f=0;b>f;f++){var g=2*f*Math.PI/b,h={x:-d*Math.sin(g)+a.mainRadius,y:-d*Math.cos(g)+a.mainRadius,color:"#FFFFFF",radius:e,id:this.id+"-"+Number(a.cells.length+1),state:"EMPTY",location:Number(a.cells.length+1),selected:!1,dataCollectionIds:a.dataCollectionIds[Number(a.cells.length+1)]};a.cells.push(h)}return a},PuckWidget.prototype.getPanel=function(){var a="";return dust.render("puck.template",this.data,function(b,c){a=c}),a},PuckWidget.prototype.emptyAll=function(){for(cellIndex in this.data.cells)this.data.cells[cellIndex].state="EMPTY",this.render(this.data.cells[cellIndex].location,!0);this.isEmpty=!0,this.containerId=0,$("#"+this.id).removeClass("puck-error")},PuckWidget.prototype.loadSamples=function(a,b){for(var c=[],d=0;d0&&(g="COLLECTED");var h=!1;null!=b&&(h=e.BLSample_location==b),""==e.BLSample_location&&(e.hasError=!0),c.push({location:e.BLSample_location,state:g,selected:h,sample_name:e.BLSample_name,protein_acronym:e.Protein_acronym,protein_name:e.Protein_name,dataCollectionIds:f,containerId:e.Container_containerId, -containerCode:e.Container_code,hasError:e.hasError})}this.load(c)},PuckWidget.prototype.load=function(a){var b=this;$("#"+b.data.id+"-loading-text").remove();for(sampleIndex in a){var c=a[sampleIndex];if(c.hasError)this.containerId=c.containerId,this.containerCode=c.containerCode,this.data.containerId=this.containerId,this.data.containerCode=this.containerCode,this.isEmpty=!1;else{var d=this.id+"-"+c.location,e=this.findCellIndexById(d);this.data.cells[e].state=c.state,this.data.cells[e].selected=c.selected,this.data.cells[e].sample_name=c.sample_name,this.data.cells[e].protein_acronym=c.protein_acronym,this.data.cells[e].protein_name=c.protein_name,this.data.cells[e].containerId=c.containerId,this.data.cells[e].containerCode=c.containerCode,"EMPTY"!=c.state&&(this.containerId=c.containerId,this.containerCode=c.containerCode,this.data.containerId=this.containerId,this.data.containerCode=this.containerCode,this.isEmpty=!1)}}for(i in this.data.cells){var f=this.id+"-"+Number(Number(i)+1);this.enableMouseOver&&($("#"+f).unbind("mouseover").mouseover(function(a){var c=b.findCellIndexById(a.target.id);if(b.onMouseOver.notify(a.target.id.split("-")[1]),b.focus(a.target.id.split("-")[1],!0),b.data.cells[c].sample_name){var d="";dust.render("plates.tooltip.mxdatacollectiongrid.template",b.data.cells[c],function(a,b){d=b}),$("body").append(d),$("#hoveringTooltipDiv").css({top:$(this).offset().top-3*b.data.cells[i].radius,left:$(this).offset().left+1.5*b.data.cells[i].radius}),b.data.cells[c].y-b.data.mainRadius<0&&$("#hoveringTooltipDiv").css({top:$(this).offset().top+2*b.data.cells[i].radius,left:$(this).offset().left+b.data.cells[i].radius})}}),$("#"+f).unbind("mouseout").mouseout(function(a){b.onMouseOut.notify(),b.focus(a.target.id.split("-")[1],!1),$("#hoveringTooltipDiv").remove()})),this.enableClick&&$("#"+f).unbind("click").click(function(a){var c=b.findCellIndexById(a.target.id);b.render(b.data.cells[c].location,!0),$("#hoveringTooltipDiv").remove()}),this.render(this.data.cells[i].location,!0)}},PuckWidget.prototype.focus=function(a,b){b?($("#"+this.id+"-"+a).attr("class","cell_focus"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_hidden")):this.render(a,!0)},PuckWidget.prototype.render=function(a){var b=this.findCellIndexById(this.id+"-"+a);switch(this.data.cells[b].state){case"FILLED":$("#"+this.id+"-"+a).attr("class","cell_filled"),$("#"+this.id+"-"+a+"-label").attr("fill","white"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_filled");break;case"COLLECTED":$("#"+this.id+"-"+a).attr("class","cell_collected"),$("#"+this.id+"-"+a+"-label").attr("fill","white"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_filled");break;case"RESULTS":$("#"+this.id+"-"+a).attr("class","cell_results"),$("#"+this.id+"-"+a+"-label").attr("fill","white"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_filled");break;case"ERROR":$("#"+this.id+"-"+a).attr("class","cell_error"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_filled"),$("#"+this.id+"-"+a+"-label").attr("fill","white");break;case"EMPTY":$("#"+this.id+"-"+a).attr("class","cell_empty"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_hidden"),$("#"+this.id+"-"+a+"-label").attr("fill","black")}this.data.cells[b].selected&&$("#"+this.id+"-"+a+"-inner").addClass("cell_selected")},PuckWidget.prototype.findCellIndexById=function(a){for(cellIndex in this.data.cells)if(this.data.cells[cellIndex].id==a)return cellIndex},PuckWidget.prototype.disableAllCells=function(){for(var a=0;a=a&&a>0){var b=Math.floor(a/3)+1,c=a%3;return 0==c&&(b--,c=3),this.id+"-"+b+"-"+c}return null},SampleChangerSelector.prototype.getPanel=function(){return this.sampleChangerPanel=Ext.create("Ext.panel.Panel",{layout:{type:"hbox",pack:"center"},width:410,height:410,margin:50,items:[]}),this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"hbox",pack:"left"},height:this.height,width:this.width,title:"Select a sample changer type or a beamline",items:[{xtype:"container",layout:"vbox",cls:"border-grid",margin:20,items:[this.beamlinesGrid.getPanel()]},this.sampleChangerPanel]}),this.panel},SampleChangerSelector.prototype.createSampleChanger=function(a){var b={radius:200,isLoading:!1},c=new FlexHCDWidget(b);return"SC3"==a?c=new SC3Widget(b):"RoboDiff"==a&&(c=new RoboDiffWidget(b)),c.render(),c},SampleChangerSelector.prototype.addSampleChanger=function(a){this.sampleChangerPanel.removeAll(),this.sampleChangerPanel.add(a.getPanel()),this.onSampleChangerSelected.notify(a.name)},SampleChangerSelector.prototype.selectRowByBeamlineName=function(a){var b=_.filter(this.beamlines,{name:a})[0].sampleChangerType;this.beamlinesGrid.selectRowByValue(a+" ("+b+")")},SC3Widget.prototype.blink=SampleChangerWidget.prototype.blink,SC3Widget.prototype.getPuckIndexFromAngle=SampleChangerWidget.prototype.getPuckIndexFromAngle,SC3Widget.prototype.createPucks=SampleChangerWidget.prototype.createPucks,SC3Widget.prototype.getPanel=SampleChangerWidget.prototype.getPanel,SC3Widget.prototype.load=SampleChangerWidget.prototype.load,SC3Widget.prototype.getStructure=SampleChangerWidget.prototype.getStructure,SC3Widget.prototype.findPuckById=SampleChangerWidget.prototype.findPuckById,SC3Widget.prototype.getAllPucks=SampleChangerWidget.prototype.getAllPucks,SC3Widget.prototype.render=SampleChangerWidget.prototype.render,SC3Widget.prototype.setClickListeners=SampleChangerWidget.prototype.setClickListeners,SC3Widget.prototype.disablePucksOfDifferentCapacity=SampleChangerWidget.prototype.disablePucksOfDifferentCapacity,SC3Widget.prototype.allowAllPucks=SampleChangerWidget.prototype.allowAllPucks,SC3Widget.prototype.getPuckData=SampleChangerWidget.prototype.getPuckData,SC3Widget.prototype.getAllFilledPucks=SampleChangerWidget.prototype.getAllFilledPucks,SC3Widget.prototype.loadSamples=SampleChangerWidget.prototype.loadSamples,SC3Widget.prototype.emptyAllPucks=SampleChangerWidget.prototype.emptyAllPucks,SC3Widget.prototype.enableAllPucks=SampleChangerWidget.prototype.enableAllPucks,SC3Widget.prototype.disablePuck=SampleChangerWidget.prototype.disablePuck,SC3Widget.prototype.enablePuck=SampleChangerWidget.prototype.enablePuck,SC3Widget.prototype.removeClassToAllPucks=SampleChangerWidget.prototype.removeClassToAllPucks,SC3Widget.prototype.createStructure=function(){for(var a=.9*this.data.radius,b=0;b=a&&a>0?this.id+"-"+a+"-1":null},SpinePuckWidget.prototype.getPanel=PuckWidget.prototype.getPanel,SpinePuckWidget.prototype.load=PuckWidget.prototype.load,SpinePuckWidget.prototype.addCirclePathCells=PuckWidget.prototype.addCirclePathCells,SpinePuckWidget.prototype.focus=PuckWidget.prototype.focus,SpinePuckWidget.prototype.render=PuckWidget.prototype.render,SpinePuckWidget.prototype.findCellIndexById=PuckWidget.prototype.findCellIndexById,SpinePuckWidget.prototype.loadSamples=PuckWidget.prototype.loadSamples,SpinePuckWidget.prototype.emptyAll=PuckWidget.prototype.emptyAll,SpinePuckWidget.prototype.disableAllCells=PuckWidget.prototype.disableAllCells,SpinePuckWidget.prototype.allowAllCells=PuckWidget.prototype.allowAllCells,SpinePuckWidget.prototype.parseData=function(a){var b=10,c=.8,d=3*a.mainRadius/4;return a=this.addCirclePathCells(a,b,c,d)},UniPuckWidget.prototype.getPanel=PuckWidget.prototype.getPanel,UniPuckWidget.prototype.load=PuckWidget.prototype.load,UniPuckWidget.prototype.addCirclePathCells=PuckWidget.prototype.addCirclePathCells,UniPuckWidget.prototype.focus=PuckWidget.prototype.focus,UniPuckWidget.prototype.render=PuckWidget.prototype.render,UniPuckWidget.prototype.findCellIndexById=PuckWidget.prototype.findCellIndexById,UniPuckWidget.prototype.loadSamples=PuckWidget.prototype.loadSamples,UniPuckWidget.prototype.emptyAll=PuckWidget.prototype.emptyAll,UniPuckWidget.prototype.disableAllCells=PuckWidget.prototype.disableAllCells,UniPuckWidget.prototype.allowAllCells=PuckWidget.prototype.allowAllCells,UniPuckWidget.prototype.parseData=function(a){var b=5,c=.8,d=4*a.mainRadius/11;return a=this.addCirclePathCells(a,b,c,d),b=11,c=.8,d=3*a.mainRadius/4,a=this.addCirclePathCells(a,b,c,d)},XFEScanGrid.prototype.getPanel=function(a){var b=this;return this.store=Ext.create("Ext.data.Store",{fields:["dataCollectionGroup"]}),this.panel=Ext.create("Ext.grid.Panel",{cls:"borderGrid",height:800,store:this.store,disableSelection:!0,columns:this.getColumns(),viewConfig:{enableTextSelection:!0,stripeRows:!0},listeners:{boxready:function(a,c){for(var d in b.plots)new Dygraph(document.getElementById(b.plots[d].containerId),b.plots[d].url,{legend:"never",title:"",height:150,width:400,stackedGraph:!0,labelsDiv:document.getElementById(b.plots[d].labelsContainerId),labelsSeparateLines:!0,labelsDivWidth:100,labelsShowZeroValues:!1,highlightCircleSize:2,strokeWidth:1,strokeBorderWidth:1,highlightSeriesOpts:{strokeWidth:3,strokeBorderWidth:1,highlightCircleSize:5},ylabel:"Count"})}}}),this.panel},XFEScanGrid.prototype._getHTMLZoomImage=function(a,b,c){return'
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      multiplicity",id:"Required multiplicity",column:{width:60}},{text:"Required
      Completeness",id:"Required Completeness",column:{width:80}},{text:"Space
      Group",id:"Space Group",column:{width:55,renderer:c,editor:!1,readOnly:!0}},{text:"Smiles",id:"Smiles",column:{width:140}},{text:"Comments",id:"Comments",column:{width:200}}],this.renderCrystalFormColumn&&b.push({text:"Edit Crystal Form",id:"editCrystalForm",column:{width:200,renderer:d,editor:!1,readOnly:!0}}),b},ContainerSpreadSheet.prototype.getPuck=function(){function a(a){return _.filter(a,function(a){return a.location==c[e].location})}for(var b=JSON.parse(JSON.stringify(this.puck)),c=this.parseTableData(),d=[],e=0;e0&&(f=g[0]),f.name=c[e]["Sample Name"],f.Dewar_barCode=c[e]["Pin BarCode"],f.smiles=c[e].Smiles,f.location=c[e].location,f.comments=c[e].Comments;var h=[];null==f.crystalVO?(f.crystalVO={},h=EXI.proposalManager.getProteinByAcronym(c[e]["Protein Acronym"]),null!=h&&(f.crystalVO.proteinVO=h[0])):(h=EXI.proposalManager.getProteinByAcronym(c[e]["Protein Acronym"]),null!=h&&(f.crystalVO.proteinVO=h[0]));var i=this.parseCrystalFormColumn(c[e]["Crystal Form"],e);f.crystalVO.spaceGroup=i.spaceGroup?i.spaceGroup:"",f.crystalVO.cellA=i.cellA,f.crystalVO.cellB=i.cellB,f.crystalVO.cellC=i.cellC,f.crystalVO.cellAlpha=i.cellAlpha,f.crystalVO.cellBeta=i.cellBeta,f.crystalVO.cellGamma=i.cellGamma,f.diffractionPlanVO={},f.diffractionPlanVO.radiationSensitivity=Number(c[e]["Radiation Sensitivity"]),f.diffractionPlanVO.requiredCompleteness=Number(c[e]["Required Completeness"]),f.diffractionPlanVO.requiredMultiplicity=Number(c[e]["Required multiplicity"]),f.diffractionPlanVO.requiredResolution=Number(c[e]["Needed resolution"]),f.diffractionPlanVO.observedResolution=Number(c[e]["Pre-observed resolution"]),f.diffractionPlanVO.preferredBeamDiameter=Number(c[e]["Pref. Diameter"]),f.diffractionPlanVO.numberOfPositions=Number(c[e]["Number Of positions"]),f.diffractionPlanVO.experimentKind=c[e]["Experiment Type"],d.push(f)}return b.sampleVOs=d,b},ContainerSpreadSheet.prototype.setRenderCrystalFormColumn=function(a){this.renderCrystalFormColumn=a},ContainerSpreadSheet.prototype.parseCrystalFormColumn=function(a,b){var c={spaceGroup:null,cellA:null,cellB:null,cellC:null,cellAlpha:null,cellBeta:null,cellGamma:null};if(""!=a&&null!=a){var d=EXI.proposalManager.getProteinByAcronym(this.spreadSheet.getDataAtCell(b,this.getColumnIndex("Protein Acronym")));if(d&&d.length>0&&(c.proteinVO=d[0]),"NEW"==a)c.spaceGroup="NEW",c.crystalId="";else{this.crystalInfoToIdMap[a]?c.crystalId=this.crystalInfoToIdMap[a]:(this.getCrystalInfoByProtein(d[0]),c.crystalId=this.crystalInfoToIdMap[a]);var e=a.split("-");if(c.spaceGroup=e[0].trim(),e.length>1){var f=(e[1]+"-"+e[2]).trim().replace(/[{()}]/g,"").replace(/\s+/g,"");c.cellA="null"==f.split("-")[0].split(",")[0]?null:f.split("-")[0].split(",")[0],c.cellB="null"==f.split("-")[0].split(",")[1]?null:f.split("-")[0].split(",")[1],c.cellC="null"==f.split("-")[0].split(",")[1]?null:f.split("-")[0].split(",")[2],c.cellAlpha="null"==f.split("-")[1].split(",")[0]?null:f.split("-")[1].split(",")[0],c.cellBeta="null"==f.split("-")[1].split(",")[1]?null:f.split("-")[1].split(",")[1],c.cellGamma="null"==f.split("-")[1].split(",")[2]?null:f.split("-")[1].split(",")[2]}else c.cellA=0,c.cellB=0,c.cellC=0,c.cellAlpha=0,c.cellBeta=0,c.cellGamma=0}}return c},ContainerSpreadSheet.prototype.getCrystalInfo=function(a){try{return null==a.cellA?a.spaceGroup+" - undefined":0==a.cellA&&0==a.cellB&&0==a.cellC&&0==a.cellAlpha&&0==a.cellBeta&&0==a.cellGamma?a.spaceGroup:a.spaceGroup+" - ("+a.cellA+" , "+a.cellB+" , "+a.cellC+" - "+a.cellAlpha+" , "+a.cellBeta+" , "+a.cellGamma+")"}catch(b){return""}},ContainerSpreadSheet.prototype.getUnitCellInfo=function(a){var b="";return dust.render("shipping.edit.form.unit.cell.template",a,function(a,c){b=c}),b},ContainerSpreadSheet.prototype.showEditForm=function(a,b){var c=this,d=new EditCrystalFormView;d.onSaved.attach(function(a,d){var f=c.parseTableData();c.updateCrystalGroup(b,d);for(var g=0;g Edit Crystal Form";this.setDataAtCell(a,b,c)},ContainerSpreadSheet.prototype.updateCrystalGroup=function(a,b){b?(this.setDataAtCell(a,this.crystalFormIndex,this.getCrystalInfo(b)),this.setDataAtCell(a,this.spaceGroupIndex,b.spaceGroup),this.addEditCrystalFormButton(a)):this.resetCrystalGroup(a)},ContainerSpreadSheet.prototype.resetCrystalGroup=function(a){this.setDataAtCell(a,this.crystalFormIndex,""),this.setDataAtCell(a,this.spaceGroupIndex,""),this.setDataAtCell(a,this.getColumnIndex("editCrystalForm"),"")},ContainerSpreadSheet.prototype.disableAll=function(){this.spreadSheet.updateSettings({readOnly:!0})},ContainerSpreadSheet.prototype.manageChange=function(a,b,c){switch(a[1]){case this.crystalFormIndex:var d=this.parseCrystalFormColumn(a[3],a[0]);void 0!=d.spaceGroup?"NEW"==d.spaceGroup?this.showEditForm(d,a[0]):this.isCrystalFormAvailable(d,this.getData()[a[0]][this.getColumnIndex("Protein Acronym")])?this.updateCrystalGroup(a[0],d):this.resetCrystalGroup(a[0]):this.resetCrystalGroup(a[0]);break;case this.getColumnIndex("Protein Acronym"):if(""==a[3])this.emptyRow(a[0]);else{if(a[0]>0){var e=this.getColumnIndex("Sample Name"),f=this.spreadSheet.getDataAtCell(a[0],e);if(void 0==f||""==f){var g=this.spreadSheet.getDataAtCell(a[0]-1,e);if(null!=g&&""!=g){var h=this.autoIncrement(g,1);""!=h&&this.setDataAtCell(a[0],e,h)}}}var d=this.parseCrystalFormColumn(this.getData()[a[0]][this.crystalFormIndex],a[0]);if(!this.isCrystalFormAvailable(d,a[3])){this.resetCrystalGroup(a[0]);var i=EXI.proposalManager.getProteinByAcronym(a[3]);if(i){var j=_.filter(EXI.proposalManager.getCrystals(),function(a){return a.proteinVO.proteinId==i[0].proteinId});if(j&&j.length>0){var k=_.maxBy(j,"crystalId");this.updateCrystalGroup(a[0],k)}}}}break;case this.getColumnIndex("Sample Name"):if("autofill"==b&&""!=a[3]){var h=this.autoIncrement(this.spreadSheet.getDataAtCell(a[0]-c,a[1]),c);""!=h&&this.setDataAtCell(a[0],a[1],h)}}a[1]!=this.getColumnIndex("editCrystalForm")&&this.onModified.notify(a),$(".htInvalid").removeClass("htInvalid")},ContainerSpreadSheet.prototype.autoIncrement=function(a,b){var c="",d=/(\d+)/g,e=a.match(d);if(e){var f=e[e.length-1];a.lastIndexOf(f)==a.length-f.length&&(c=a.substring(0,a.length-f.length)+(parseInt(f)+b))}return c},ContainerSpreadSheet.prototype.isCrystalFormAvailable=function(a,b){var c=_.filter(_.filter(EXI.proposalManager.getCrystals(),{spaceGroup:a.spaceGroup}),function(a){return a.proteinVO.acronym==b});if(c.length>0)for(var d=0;d
      '},this.uploaderWidget.getForm(),{xtype:"button",margin:"0 0 0 2",text:"Test",handler:function(){window.open("#/shipping/edv","_newtab")}}]}),this.panel},CrystalFormView.prototype.getToolBar=function(){var a=this;return[{text:"Return to shipment",width:200,height:30,handler:function(){location.href="#/shipping/"+a.shippingId+"/main"}}]},CrystalFormView.prototype.load=function(a,b,c){var d=this;this.containerId=a,this.sampleId=b,this.shippingId=c,this.panel.setTitle("Shipment");var e=function(a,b){if(b){var c=_.filter(b.sampleVOs,function(a){return a.blSampleId==d.sampleId});if(c.length>0){d.sample=c[0];var e="";dust.render("crystal.form.template",d.sample,function(a,b){e+=b}),$("#"+d.id).hide().html(e).fadeIn("fast"),$("#"+d.id).css("padding",d.padding),d.panel.doLayout()}}};EXI.getDataAdapter({onSuccess:e}).proposal.shipping.getContainerById(this.containerId,this.containerId,this.containerId)},EditCrystalFormView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{html:'
      ',autoScroll:!1,padding:this.padding,width:this.width}]}),this.panel},EditCrystalFormView.prototype.load=function(a){var b=this;if(this.crystal=a,null!=a.crystalId)if(""!=a.crystalId){var c=function(a,c){b.crystal=c,b.render()};EXI.getDataAdapter({onSuccess:c}).mx.crystal.getCrystalById(a.crystalId)}else this.render();else $("#"+this.id).hide().html("

      There was an error loading the crystal

      ").fadeIn("fast"),this.panel.doLayout()},EditCrystalFormView.prototype.render=function(){var a=this;this.crystal.spaceGroups=ExtISPyB.spaceGroups,this.crystal.id=this.id;var b="";dust.render("crystal.edit.form.template",this.crystal,function(a,c){b=c}),$("#"+this.id).hide().html(b).fadeIn("fast"),this.panel.doLayout(),$("#"+this.id+"-space-group").on("change",function(){a.setCellValuesBySpaceGroup(this.value)}),this.setCellValuesBySpaceGroup($("#"+this.id+"-space-group").val())},EditCrystalFormView.prototype.save=function(){var a=this,b={spaceGroup:$("#"+this.id+"-space-group").val(),cellA:$("#"+this.id+"-cellA").val(),cellB:$("#"+this.id+"-cellB").val(),cellC:$("#"+this.id+"-cellC").val(),cellAlpha:$("#"+this.id+"-cellAlpha").val(),cellBeta:$("#"+this.id+"-cellBeta").val(),cellGamma:$("#"+this.id+"-cellGamma").val(),name:$("#"+this.id+"-name").val(),comments:$("#"+this.id+"-comments").val()};if(""!=b.cellA&&""!=b.cellB&&""!=b.cellC){this.panel.setLoading();var c=function(b,c){EXI.proposalManager.get(!0),a.onSaved.notify(c),a.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).mx.crystal.save(this.crystal.proteinVO.proteinId,this.crystal.crystalId,b.name,b.spaceGroup,b.cellA,b.cellB,b.cellC,b.cellAlpha,b.cellBeta,b.cellGamma,b.comments)}else $("#"+this.id+"-cellsABC").notify("The values A, B and C must be filled",{className:"error"})},EditCrystalFormView.prototype.setCellValuesBySpaceGroup=function(a){var b=this,c=function(a,c){var d="",e="",f="";if(c&&c.length>0&&c[0].geometryClassnameVO){switch(c[0].geometryClassnameVO.geometryClassname){case"Primitive triclinic":break;case"Primitive monoclinic":d=90,f=90;break;case"Centred monoclinic":d=90,f=90;break;case"Primitive orthohombic":d=90,e=90,f=90;break;case"C-centred orthohombic":d=90,e=90,f=90;break;case"I-centred orthohombic":d=90,e=90,f=90;break;case"F-centred orthohombic":d=90,e=90,f=90;break;case"Primitive tetragonal":d=90,e=90,f=90;break;case"I-centred tetragonal":d=90,e=90,f=90;break;case"Primitive trigonal":d=90,e=90,f=120;break;case"Primitive hexagonal":d=90,e=90,f=120;break;case"Rhombohedral":d=90,e=90,f=120;break;case"Primitive cubic":d=90,e=90,f=90;break;case"I-centred cubic":d=90,e=90,f=90;break;case"F-centred cubic":d=90,e=90,f=90}b.manageCellValueUpdate("#"+b.id+"-cellAlpha",d),b.manageCellValueUpdate("#"+b.id+"-cellBeta",e),b.manageCellValueUpdate("#"+b.id+"-cellGamma",f)}};EXI.getDataAdapter({onSuccess:c}).mx.crystal.getGeometryclassBySpacegroup(a)},EditCrystalFormView.prototype.manageCellValueUpdate=function(a,b){""!=b?($(a).prop("disabled",!0),$(a).val(b)):$(a).prop("disabled",!1)},GenericContainerSpreadSheet.prototype.getPanel=SpreadSheet.prototype.getPanel,GenericContainerSpreadSheet.prototype.setLoading=SpreadSheet.prototype.setLoading,GenericContainerSpreadSheet.prototype.getAcronyms=SpreadSheet.prototype.getAcronyms,GenericContainerSpreadSheet.prototype.getHeaderWidth=SpreadSheet.prototype.getHeaderWidth,GenericContainerSpreadSheet.prototype.getHeaderId=SpreadSheet.prototype.getHeaderId,GenericContainerSpreadSheet.prototype.getHeaderText=SpreadSheet.prototype.getHeaderText,GenericContainerSpreadSheet.prototype.getColumns=SpreadSheet.prototype.getColumns,GenericContainerSpreadSheet.prototype.parseTableData=SpreadSheet.prototype.parseTableData,GenericContainerSpreadSheet.prototype.getData=SpreadSheet.prototype.getData,GenericContainerSpreadSheet.prototype.loadData=SpreadSheet.prototype.loadData,GenericContainerSpreadSheet.prototype.setDataAtCell=SpreadSheet.prototype.setDataAtCell,GenericContainerSpreadSheet.prototype.getColumnIndex=SpreadSheet.prototype.getColumnIndex,GenericContainerSpreadSheet.prototype.disableAll=SpreadSheet.prototype.disableAll,GenericContainerSpreadSheet.prototype.setContainerType=SpreadSheet.prototype.setContainerType,GenericContainerSpreadSheet.prototype.updateNumberOfRows=SpreadSheet.prototype.updateNumberOfRows,GenericContainerSpreadSheet.prototype.emptyRow=SpreadSheet.prototype.emptyRow,GenericContainerSpreadSheet.prototype.load=function(a){function b(a,b,d,e,f,g,h){return Handsontable.renderers.TextRenderer.apply(this,arguments),a.getDataAtRow(d)[1]?(2==e&&(g&&""!=g||(b.className="custom-row-text-required")),void(e!=c.unitCellIndex&&e!=c.spaceGroupIndex||(b.style.background="#EEE"))):void(b.style.background="#EEE")}var c=this;this.container=a;var d=document.getElementById(this.id+"_samples"),e=this.getSamplesData(a);Handsontable.renderers.registerRenderer("ValueRenderer",b),this.spreadSheet=new Handsontable(d,{afterCreateRow:function(a,b){e.splice(a,b)},beforeChange:function(a,b){lastChange=a},data:e,height:this.height,width:this.width,manualColumnResize:!0,colWidths:this.getHeaderWidth(),colHeaders:this.getHeaderText(),stretchH:"last",columns:this.getColumns()})},GenericContainerSpreadSheet.prototype.getSamplesData=function(a){for(var b=[],c=0;cAcronym",id:"Protein Acronym",column:{width:100,type:"dropdown",source:this.getAcronyms()}},{text:"Sample
      Name",id:"Sample Name",column:{width:120}},{text:"Comments",id:"Comments",column:{width:200}}]},GenericContainerSpreadSheet.prototype.getPuck=function(){function a(a){return _.filter(a,function(a){return a.BLSample_location==b[d].location})}var b=this.parseTableData(),c={};c.sampleVOs=[];for(var d=0;d0&&(e=f[0]),e.Protein_acronym=b[d]["Protein Acronym"],e.BLSample_name=b[d]["Sample Name"],e.location=b[d].location,e.BLSample_comments=b[d].Comments,e.crystalVO={proteinVO:EXI.proposalManager.getProteinByAcronym(b[d]["Protein Acronym"])[0]},e.diffractionPlanVO={},c.sampleVOs.push(e)}return c},OtherContainerForm.prototype.load=function(a){a&&(this.container=a,this.container.samples||(this.container.samples=[]),this.container.capacity||(this.container.capacity=a.samples.length),Ext.getCmp(this.id+"container_name").setValue(a.code),Ext.getCmp(this.id+"capacity").setValue(this.container.capacity),this.containerSpreadSheet.load(this.container),this.panel.doLayout())},OtherContainerForm.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.form.Panel",{autoScroll:!0,buttons:this.getButtons(),items:[{xtype:"container",margin:"5 0 2 5",layout:"hbox",items:[{xtype:"container",margin:"12 0 2 0",layout:"hbox",items:[{xtype:"requiredtextfield",id:this.id+"container_name",fieldLabel:"Name",name:"name",width:250,margin:"5 5 5 5",labelWidth:100},{xtype:"numberfield",id:this.id+"capacity",fieldLabel:"Capacity",width:250,disabled:!1,margin:"5 5 5 10",labelWidth:100,minValue:0,listeners:{change:function(b,c,d){a.panel.setLoading(!0),a.containerSpreadSheet.updateNumberOfRows(c),a.panel.setLoading(!1)}}}]}]},this.containerSpreadSheet.getPanel()]}),this.panel},OtherContainerForm.prototype.getButtons=function(){var a=this;return[{text:"Save",id:this.id+"-save-button",handler:function(){a.save()}},{text:"Cancel",handler:function(){a.onCancel.notify()}}]},OtherContainerForm.prototype.getContainer=function(){return this.container.code=Ext.getCmp(this.id+"container_code").getValue(),this.container.containerType="OTHER",this.container.capacity=this.container.samples.length,this.container},OtherContainerForm.prototype.save=function(){var a=this;this.panel.setLoading("Saving Puck");var b=this.containerSpreadSheet.getPuck();b.code=Ext.getCmp(a.id+"container_name").getValue(),b.capacity=Ext.getCmp(a.id+"capacity").getValue(),b.containerType="OTHER",b.containerId=this.container.containerId;var c=function(b,c){a.panel.setLoading(!1),EXI.setError(c.responseText)},d=function(c){a.panel.setLoading(!1),a.onSave.notify(b)};EXI.getDataAdapter({onSuccess:d,onError:c}).proposal.shipping.saveContainer(this.container.containerId,this.container.containerId,this.container.containerId,b)},ParcelGrid.prototype._getTopButtons=function(){var a=this;return Ext.create("Ext.Action",{id:this.id+"-add-button",icon:"../images/icon/add.png",text:"Add",disabled:!0,handler:function(b,c){a.edit()}})},ParcelGrid.prototype.load=function(a){function b(a,b){c.panel.setLoading(),b.sessionId=b.firstExperimentId,b.shippingId=c.shipment.shippingId;var d=function(a,b){c.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:d}).proposal.dewar.saveDewar(c.shipment.shippingId,b)}var c=this;this.shipment=a,this.dewars=a.dewarVOs,this.panel.removeAll(),this.dewars.sort(function(a,b){return a.dewarId-b.dewarId}),Ext.getCmp(this.id+"-label").setText("Content ("+this.dewars.length+" Parcels)"),Ext.getCmp(this.id+"-add-button").enable();for(var d in this.dewars){var e=new ParcelPanel({height:90,width:this.width-60,shippingId:this.shipment.shippingId,shippingStatus:this.shipment.shippingStatus,index:Number(d)+1});this.panel.insert(e.getPanel()),e.load(this.dewars[d],this.shipment),e.onSavedClick.attach(b)}},ParcelGrid.prototype.edit=function(a){var b=this,c=new CaseForm,d=Ext.create("Ext.window.Window",{title:"Parcel",height:450,width:600,modal:!0,layout:"fit",items:[c.getPanel(a)],listeners:{afterrender:function(a,c){null!=b.puck&&b.render(b.puck)}},buttons:[{text:"Save",handler:function(){new DataAdapter;b.panel.setLoading();var a=c.getDewar(),e=function(a,c){b.load(c),b.panel.setLoading(!1),d.close()};a.sessionId=a.firstExperimentId,a.shippingId=b.shipment.shippingId,EXI.getDataAdapter({onSuccess:e}).proposal.dewar.saveDewar(b.shipment.shippingId,a)}},{text:"Cancel",handler:function(){d.close()}}]});d.show()},ParcelGrid.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{cls:"border-grid",width:this.width,autoScroll:!0,autoHeight:!0,maxHeight:this.height,padding:this.padding}),this.panel.addDocked({height:45,xtype:"toolbar",items:[{xtype:"label",text:"Content (0 Parcels)",id:this.id+"-label"},a._getTopButtons()],cls:"exi-top-bar"}),this.panel},PuckFormView.prototype.load=function(a,b,c){var d=this;this.shippingId=b,this.shippingStatus=c,this.containerId=a,this.panel.setTitle("Shipment");var e=function(a,b){d.puck=b,null!=b&&(Ext.getCmp(d.id+"puck_name").setValue(d.puck.code),d.puck.capacity?d.capacityCombo.setValue(d.puck.capacity):$.notify("ERROR: The capacity of the container is not defined.","error"),Ext.getCmp(d.id+"puck_beamline").setValue(d.puck.beamlineLocation),Ext.getCmp(d.id+"puck_sampleChangerLocation").setValue(d.puck.sampleChangerLocation),Ext.getCmp(d.id+"puck_status").setValue(d.puck.containerStatus)),d.fillSamplesGrid(b)};EXI.getDataAdapter({onSuccess:e}).proposal.shipping.getContainerById(this.containerId,this.containerId,this.containerId)},PuckFormView.prototype.fillSamplesGrid=function(a){var b=this;this.containerSpreadSheet.setLoading(!0);var c=function(c,d){if(d){if(d.length>0?b.containerSpreadSheet.setRenderCrystalFormColumn(!0):b.containerSpreadSheet.setRenderCrystalFormColumn(!1),b.containerSpreadSheet.setContainerType(a.containerType),b.containerSpreadSheet.load(a),"processing"!=b.shippingStatus){var e=_.filter(d,{DataCollectionGroup_dataCollectionGroupId:null});e.length==d.length&&(Ext.getCmp(b.id+"_save_button").enable(),Ext.getCmp(b.id+"_remove_button").enable(),b.capacityCombo.enable())}else b.containerSpreadSheet.disableAll();b.containerSpreadSheet.setLoading(!1),b.containerSpreadSheet.renderCrystalFormColumn&&b.setValuesForEditCrystalColumn()}};EXI.getDataAdapter({onSuccess:c}).mx.sample.getSamplesByContainerId(a.containerId)},PuckFormView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{autoScroll:!0,buttons:this.getToolBar(),items:[{xtype:"container",margin:"5 0 2 5",layout:"hbox",items:[{xtype:"container",margin:"12 0 2 0",layout:"hbox",items:[{xtype:"requiredtextfield",id:this.id+"puck_name",fieldLabel:"Name",name:"name",width:250,margin:"5 5 5 5",labelWidth:100},this.capacityCombo.getPanel(),{xtype:"textfield",id:this.id+"puck_beamline",fieldLabel:"Beamline",width:250,disabled:!0,margin:"5 5 5 10",labelWidth:100},{xtype:"textfield",id:this.id+"puck_sampleChangerLocation",fieldLabel:"#Sample Changer",width:300,disabled:!0,margin:"5 5 5 5",labelWidth:150},{xtype:"textfield",id:this.id+"puck_status",fieldLabel:"Status",width:250,disabled:!0,margin:"5 5 5 5",labelWidth:100}]}]},this.containerSpreadSheet.getPanel()]}),this.panel},PuckFormView.prototype.getToolBar=function(){var a=this;return[{text:"Remove",id:this.id+"_remove_button",width:100,height:30,disabled:!0,cls:"btn-red",handler:function(){function b(b){"yes"==b&&a.removePuck()}Ext.MessageBox.show({title:"Remove",msg:"Removing a puck from this parcel will remove also its content.
      Are you sure you want to continue?",buttons:Ext.MessageBox.YESNO,fn:b,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})}},"->",{text:"Save",id:this.id+"_save_button",width:100,height:30,disabled:!0,handler:function(){a.save()}},{text:"Return to shipment",width:200,height:30,handler:function(){a.returnToShipment()}}]},PuckFormView.prototype.removePuck=function(){var a=this;this.panel.setLoading();var b=function(b,c){a.panel.setLoading(!1),location.href="#/shipping/"+a.shippingId+"/main"};EXI.getDataAdapter({onSuccess:b}).proposal.shipping.removeContainerById(this.containerId,this.containerId,this.containerId)},PuckFormView.prototype.returnToShipment=function(){this.puck.code!=Ext.getCmp(this.id+"puck_name").getValue()&&(this.unsavedChanges=!0),this.unsavedChanges?this.showReturnWarning():location.href="#/shipping/"+this.shippingId+"/main"},PuckFormView.prototype.save=function(a){var b=this,c=this.containerSpreadSheet.getPuck();if(c.sampleVOs&&c.sampleVOs.length>0){var d=_.map(c.sampleVOs,"name");if(d.indexOf(null)>=0||d.indexOf("")>=0)return void $.notify("There are samples without a Sample Name","error")}c.code=Ext.getCmp(b.id+"puck_name").getValue(),c.capacity=b.capacityCombo.getSelectedCapacity(),c.containerType=b.capacityCombo.getSelectedType();var e=function(a,c){b.panel.setLoading(!1),EXI.setError(c.responseText)},f=function(c,d){b.unsavedChanges=!1,b.panel.setLoading(!1),a?location.href="#/shipping/"+b.shippingId+"/main":b.load(b.containerId,b.shippingId)};this.panel.setLoading("Saving Puck"),EXI.getDataAdapter({onSuccess:f,onError:e}).proposal.shipping.saveContainer(this.containerId,this.containerId,this.containerId,c)},PuckFormView.prototype.containerTypeChanged=function(a){var b=(this.capacityCombo.getTypeByCapacity(this.puck.capacity),this.capacityCombo.getTypeByCapacity(a));this.puck.capacity=a,this.containerSpreadSheet.setContainerType(b),this.containerSpreadSheet.updateNumberOfRows(a)},PuckFormView.prototype.setValuesForEditCrystalColumn=function(a){for(var b=this.containerSpreadSheet.parseTableData(),c=this.containerSpreadSheet.getColumnIndex("editCrystalForm"),d=0;d
      Do you want to save the changes to the container '+a.puck.code+"?
      "}],buttons:[{text:"Yes",handler:function(){b.close(),a.save(!0)}},{text:"No",handler:function(){b.close(),location.href="#/shipping/"+a.shippingId+"/main"}},{text:"Cancel",handler:function(){b.close()}}]});b.show()},ShipmentEditForm.prototype.load=function(a){this.shipment=a;var b=EXI.proposalManager.getLabcontacts(),c=$.extend(EXI.proposalManager.getLabcontacts(),[{cardName:"Same as for shipping to beamline",labContactId:-1},{cardName:"No return requested",labContactId:0}]),d="",e="",f="";a&&a.sessions.length>0&&(e=a.sessions[0].beamlineName,f=new Date(a.sessions[0].startDate).toLocaleDateString());var g=function(a,b){var c=new Date(a.BLSession_startDate),d=new Date(b.BLSession_startDate);return c===d?0:d>c?1:-1},h=EXI.proposalManager.getSessions();h.sort(g);for(var i=[],j=new Date((new Date).toDateString()),k=0;kn&&(n="0"+n),10>o&&(o="0"+o);var q=n+"/"+o+"/"+p;i.push({sessionId:l.sessionId,date:m.toLocaleDateString(),formattedDate:q,beamLineName:l.beamLineName})}}dust.render("shipping.edit.form.template",{id:this.id,sessions:i,to:c,from:b,beamlineName:e,startDate:f,shipment:a},function(a,b){d=b}),$("#"+this.id).hide().html(d).fadeIn("fast"),this.panel.doLayout()},ShipmentEditForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{html:'
      ',autoScroll:!1,padding:this.padding,width:this.width}]}),this.panel},ShipmentEditForm.prototype.saveShipment=function(){var a=this,b=$("#"+this.id+"-to").val(),c=$("#"+this.id+"-from").val(),d=null;if(this.shipment&&(d=this.shipment.shippingId),null==b)return void BUI.showError("User contact information for shipping to beamline is mandatory");"No return requested"==c&&(c=0),"Same as for shipping to beamline"==c&&(c=-1);var e=EXI.proposalManager.getLabcontactById(b),f={shippingId:d,name:$("#"+this.id+"-name").val(),status:"Not set",sendingLabContactId:b,returnLabContactId:c,returnCourier:c,courierAccount:e.courierAccount,billingReference:e.billingReference,dewarAvgCustomsValue:e.dewarAvgCustomsValue,dewarAvgTransportValue:e.dewarAvgTransportValue,comments:$("#"+this.id+"-comments").val(),sessionId:$("#"+this.id+"-date").val()},g=function(b,c){a.panel.setLoading(!1),a.onSaved.notify(c)};return""==f.name?void BUI.showError("Name field is mandatory"):null==f.sendingLabContactId?void BUI.showError("Lab contact for sending field is mandatory"):(this.panel.setLoading(),void EXI.getDataAdapter({onSuccess:g}).proposal.shipping.saveShipment(f))},ShipmentForm.prototype.load=function(a){this.shipment=a;var b=this,c=EXI.proposalManager.getLabcontacts(),d=$.extend(EXI.proposalManager.getLabcontacts(),[{cardName:"Same as for shipping to beamline",labContactId:-1},{cardName:"No return requested",labContactId:0}]),e="",f="",g="";a&&a.sessions.length>0&&(f=a.sessions[0].beamlineName,g=moment(a.sessions[0].startDate).format("DD/MM/YYYY")),dust.render("shipping.form.template",{id:this.id,to:c,from:d,beamlineName:f,startDate:g,shipment:a},function(a,b){e=b}),$("#"+b.id).hide().html(e).fadeIn("fast"),null!=a&&"processing"==a.shippingStatus||($("#"+b.id+"-edit-button").prop("disabled",!1),$("#"+b.id+"-edit-button").unbind("click").click(function(a){b.edit()})),this.panel.doLayout()},ShipmentForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{cls:"border-grid",html:'
      ',autoScroll:!1,margin:10,padding:this.padding,width:this.width}]}),this.panel},ShipmentForm.prototype.edit=function(a){var b=this,c=new ShipmentEditForm;c.onSaved.attach(function(a,c){b.shipment?b.load(c):b.onSaved.notify(c),d.close()});var d=Ext.create("Ext.window.Window",{title:"Shipment",height:450,width:600,modal:!0,layout:"fit",items:[c.getPanel()],buttons:[{text:"Save",handler:function(){c.saveShipment()}},{text:"Cancel",handler:function(){d.close()}}]}).show();c.load(this.shipment)},ShippingMainView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"vbox",align:"center"},autoScroll:!0,cls:"border-grid",items:[this.shipmentForm.getPanel(),this.parcelGrid.getPanel()]}),this.panel},ShippingMainView.prototype.load=function(a){var b=this;if(this.shippingId=a,this.panel.setTitle("Shipment"),null!=a){this.panel.setLoading();var c=function(a,c){b.shipmentForm.load(c),b.parcelGrid.load(c),b.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).proposal.shipping.getShipment(a)}else b.shipmentForm.load(),b.panel.setLoading(!1)},WelcomeMainView.prototype.getPanel=MainView.prototype.getPanel,WelcomeMainView.prototype.getContainer=function(){return{layout:{type:"fit"},items:[{html:"",margin:"50 0 0 50"}]}},WelcomeMainView.prototype.load=function(){},AddressEditForm.prototype.load=function(a){this.address={},a&&(this.address=a),this.address.id=this.id;var b="";dust.render("address.edit.form.template",this.address,function(a,c){b=c}),$("#"+this.id).hide().html(b).fadeIn("fast"),this.panel.doLayout()},AddressEditForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{html:'
      ',autoScroll:!1,margin:10,padding:this.padding,width:this.width}]}),this.panel},AddressEditForm.prototype.save=function(){var a=this,b=this.getAddress(),c=function(c,d){a.onSaved.notify(b)};EXI.getDataAdapter({onSuccess:c}).proposal.labcontacts.saveLabContact(b)},AddressEditForm.prototype.getAddress=function(){var a={};return a=this.address,a.labContactId||(a.labContactId=null),a.personVO||(a.personVO={},a.personVO.personId=null),a.personVO.emailAddress=$("#"+this.id+"-emailAddress").val(),a.personVO.familyName=$("#"+this.id+"-familyName").val(),a.personVO.givenName=$("#"+this.id+"-givenName").val(),a.personVO.phoneNumber=$("#"+this.id+"-phoneNumber").val(),a.personVO.faxNumber=$("#"+this.id+"-faxNumber").val(),a.cardName=$("#"+this.id+"-cardName").val(),a.courierAccount=$("#"+this.id+"-courierAccount").val(),a.defaultCourrierCompany=$("#"+this.id+"-defaultCourrierCompany").val(),a.dewarAvgCustomsValue=$("#"+this.id+"-dewarAvgCustomsValue").val(),a.dewarAvgTransportValue=$("#"+this.id+"-dewarAvgTransportValue").val(),a.billingReference=$("#"+this.id+"-billingReference").val(),a.labName=$("#"+this.id+"-labName").val(),a.labAddress=$("#"+this.id+"-labAddress").val(),a},AddressForm.prototype.getAddress=function(){return null==this.address&&(this.address={}),this.address.billingReference=Ext.getCmp(this.id+"billingReference").getValue(),this.address.cardName=Ext.getCmp(this.id+"cardName").getValue(),this.address.courierAccount=Ext.getCmp(this.id+"courierAccount").getValue(),this.address.defaultCourrierCompany=Ext.getCmp(this.id+"courrierCompany").getValue(),this.address.dewarAvgCustomsValue=Ext.getCmp(this.id+"dewarAvgCustomsValue").getValue(), +this.address.dewarAvgTransportValue=Ext.getCmp(this.id+"dewarAvgTransportValue").getValue(),null==this.address.personVO&&(this.address.personVO={}),this.address.personVO.emailAddress=Ext.getCmp(this.id+"emailAddress").getValue(),this.address.personVO.familyName=Ext.getCmp(this.id+"familyName").getValue(),this.address.personVO.givenName=Ext.getCmp(this.id+"name").getValue(),this.address.personVO.faxNumber=Ext.getCmp(this.id+"faxNumber").getValue(),this.address.personVO.phoneNumber=Ext.getCmp(this.id+"phoneNumber").getValue(),this.address},AddressForm.prototype.load=function(a){this.address=a;var b="";dust.render("address.form.template",a,function(a,c){b=c}),$("#"+this.id).hide().html(b).fadeIn("fast"),this.panel.doLayout()},AddressForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{cls:"border-grid",title:"Shipping Address Card",buttons:this.getToolBar(),icon:"../images/icon/ic_email_black_24dp.png",items:[{html:'
      ',autoScroll:!1,margin:10,padding:this.padding,width:this.width}]}),this.panel},AddressForm.prototype.getToolBar=function(){var a=this;return[{text:"Edit",hidden:a.isSaveButtonHidden,width:100,handler:function(){a.edit()}}]},AddressForm.prototype.edit=function(a){var b=this,c=new AddressEditForm;c.onSaved.attach(function(a,c){d.close(),b.load(c)});var d=Ext.create("Ext.window.Window",{title:"Shipping Address Card",height:550,width:750,modal:!0,layout:"fit",items:[c.getPanel()],buttons:[{text:"Save",handler:function(){c.save()}},{text:"Cancel",handler:function(){d.close()}}]}).show();c.load(this.address)},AuthenticationForm.prototype.show=function(){this.window=Ext.create("Ext.window.Window",{title:"Login",height:250,closable:!1,width:450,modal:!0,layout:"fit",items:[this.getPanel()]}),this.window.show()},AuthenticationForm.prototype.getAuthenticationForm=function(){if(ExtISPyB.sites&&ExtISPyB.sites.length>1){var a=Ext.create("Ext.data.Store",{fields:["name","url","exiUrl"],data:ExtISPyB.sites});return{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"User",name:"user",margin:"10 0 0 10",allowBlank:!1},{xtype:"textfield",fieldLabel:"Password",margin:"10 0 0 10",name:"password",allowBlank:!1,inputType:"password"},{xtype:"combo",fieldLabel:"Choose site",name:"site",store:a,allowBlank:!1,valueField:"url",displayField:"name",margin:"10 0 0 10"}]}}return{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"User",name:"user",margin:"30 0 0 10",allowBlank:!1},{xtype:"textfield",fieldLabel:"Password",margin:"10 0 0 10",name:"password",allowBlank:!1,inputType:"password"}]}},AuthenticationForm.prototype.getIconForm=function(){return this.singleSite?{xtype:"image",src:this.site.icon,width:75,height:75,margin:"30 0 0 10"}:void 0},AuthenticationForm.prototype.getPanel=function(){var a=this;return ExtISPyB.sites&&1==ExtISPyB.sites.length&&(this.singleSite=!0,this.siteURL=ExtISPyB.sites[0].url,this.site=ExtISPyB.sites[0],this.icon=ExtISPyB.sites[0].icon),Ext.create("Ext.form.Panel",{bodyPadding:5,width:370,layout:"vbox",defaults:{anchor:"90%"},defaultType:"textfield",items:[{xtype:"container",layout:"hbox",items:[this.getIconForm(),this.getAuthenticationForm()]}],buttons:[{text:"Login",formBind:!0,disabled:!0,handler:function(){var b=this.up("form").getForm(),c=null;a.singleSite||(a.siteURL=b.getFieldValues().site);for(var d=0;d
      Code: '+d+'
      Select one of the options below:
      '}],buttons:[{text:"Edit",handler:function(){"StockSolution"==a.type?location.href="#/stocksolution/"+a.containerId+"/main":"OTHER"==a.type?a.openEditOtherContainerForm():location.href="#/shipping/"+a.shippingId+"/"+a.shippingStatus+"/containerId/"+a.containerId+"/edit",e.close()}},{text:"Remove",disabled:"processing"==a.shippingStatus,handler:function(){a.removeButtonClicked(),e.close()}},{text:"Cancel",handler:function(){e.close()}}]});e.show()}),this.container.onMouseOver.attach(function(a,b){b.focus(!0)}),this.container.onMouseOut.attach(function(a,b){b.focus(!1)});var b=2*this.data.mainRadius+5;return this.containerPanel=Ext.create("Ext.panel.Panel",{width:this.width,height:b,items:[this.container.getPanel()]}),this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"vbox",align:"center",pack:"center"},width:this.width,height:this.height,items:[this.containerPanel]}),this.height>=45&&this.panel.insert({html:"
      "+this.data.code+"
      ",height:.25*this.height,width:this.width}),this.panel},ContainerParcelPanel.prototype.load=function(a){this.containerPanel.removeAll(),this.containerPanel.add(this.container.getPanel()),a.length>0&&(this.container.loadSamples(a),this.container.containerId||(this.container.containerId=this.containerId));var b=_.filter(a,{DataCollectionGroup_dataCollectionGroupId:null});b.lengthAre you sure you want to continue?",buttons:Ext.MessageBox.YESNO,fn:a,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})},ContainerParcelPanel.prototype.openEditOtherContainerForm=function(){var a=this,b=new OtherContainerForm;b.onSave.attach(function(b,d){$("#"+a.id+"-name").html(d.code),a.container.samples=d.sampleVOs,a.container.capacity=d.capacity,c.close()}),b.onCancel.attach(function(a){c.close()});var c=Ext.create("Ext.window.Window",{title:"Container",height:600,width:1500,modal:!0,layout:"fit",items:[b.getPanel()],listeners:{afterrender:function(c,d){b.load(a.container)}}});c.show()},ContainerTypeComboBox.prototype.getPanel=function(){var a=this,b=Ext.create("Ext.data.Store",{fields:["type","capacity"],data:this.data});return this.panel=Ext.create("Ext.form.ComboBox",{layout:"fit",margin:"5 0 5 5",fieldLabel:this.label,store:b,labelStyle:"padding:5px",labelWidth:this.labelWidth,displayField:"type",value:"UNIPUCK",width:this.width,disabled:this.initDisabled}),this.panel.on("select",function(b,c){a.onSelected.notify(c[0].data)}),this.panel},ContainerTypeComboBox.prototype.getValue=function(){return this.panel.getValue()},ContainerTypeComboBox.prototype.getSelectedType=function(){var a=this.panel.getValue();return"UNIPUCK"!=a&&"SPINE"!=a||(a="Puck"),a},ContainerTypeComboBox.prototype.getSelectedCapacity=function(){return _.filter(this.data,{type:this.getValue()})[0].capacity},ContainerTypeComboBox.prototype.getTypeByCapacity=function(a){return _.filter(this.data,{capacity:a})[0].type},ContainerTypeComboBox.prototype.setValue=function(a){var b=this.getTypeByCapacity(a);this.panel.setValue(b)},ContainerTypeComboBox.prototype.enable=function(){this.panel.enable()},ContainerWidget.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{id:this.id+"-container",x:this.templateData.xMargin,y:this.templateData.yMargin,width:this.templateData.width+1,height:this.templateData.height+1,frame:!1,border:!1,bodyStyle:"background:transparent;",items:[{html:this.getSVG(),width:this.templateData.width+1,height:this.templateData.height+1}]}),this.panel.on("boxready",function(){a.templateData.enableMainClick&&$("#"+a.id).unbind("click").click(function(b){a.onClick.notify(b.target.id)}),a.templateData.enableMainMouseOver&&($("#"+a.id).unbind("mouseover").mouseover(function(b){a.onMouseOver.notify(a)}),$("#"+a.id).unbind("mouseout").mouseout(function(b){a.onMouseOut.notify(a)}))}),this.panel},ContainerWidget.prototype.loadSamples=function(a){this.samples=a,a&&a.length>0&&(this.containerId=a[0].Container_containerId)},ContainerWidget.prototype.getSVG=function(a){var b="";return dust.render("container.widget.template",this.templateData,function(a,c){b=c}),b},ContainerWidget.prototype.focus=function(a){a?$("#"+this.id).addClass("puck-selected"):$("#"+this.id).removeClass("puck-selected")},CurvePlotter.prototype.getPanel=function(){return this.plotPanel=Ext.create("Ext.container.Container",{layout:{type:"hbox"},flex:.7,margin:this.margin,items:[{html:'
      ',id:this.id}]}),this.plotPanel.on("afterrender",function(){}),this.plotPanel.on("resize",function(){}),this.plotPanel},CurvePlotter.prototype.getPointCount=function(){return this.dygraph.rawData_.length},CurvePlotter.prototype.getColors=function(){return this.dygraph.getColors()},CurvePlotter.prototype.getLabels=function(){return this.dygraph.getLabels()},CurvePlotter.prototype.render=function(a){var b=this;null!=document.getElementById(this.targetId)&&(document.getElementById(this.targetId).innerHTML="",this.width=this.plotPanel.getWidth(),this.height=this.plotPanel.getHeight(),document.getElementById(this.targetId).setAttribute("style","border: 1px solid #000000; height:"+(this.plotPanel.getHeight()-1)+"px;width:"+(this.plotPanel.getWidth()-2)+"px;"),Ext.getCmp(this.id).setHeight(this.plotPanel.getHeight()),Ext.getCmp(this.id).setWidth(this.plotPanel.getWidth()),this.dygraph=new Dygraph(document.getElementById(this.targetId),a,{title:this.title,titleHeight:20,legend:this.legend,labelsSeparateLines:!0,errorBars:!0,connectSeparatedPoints:!0,pointClickCallback:function(a,c){b.onPointClickCallback.notify(c.name)}}),this.dygraph.ready(function(){b.onRendered.notify()}))},CurvePlotter.prototype.loadMerge=function(a,b,c,d){this.render(EXI.getDataAdapter().saxs.hplc.getFramesMergeURL(a,b,c,d))},CurvePlotter.prototype.loadHPLCFrame=function(a,b){this.render(EXI.getDataAdapter().saxs.hplc.getHPLCFramesScatteringURL(a,b))},CurvePlotter.prototype.loadUrl=function(a){this.render(a)},CurvePlotter.prototype.load=function(a){this.render(EXI.getDataAdapter().saxs.frame.getFramesURL(a.frame,a.average,a.subtracted,a.sampleaverage,a.bufferaverage))},AutoProcIntegrationCurvePlotter.prototype.getPointCount=CurvePlotter.prototype.getPointCount,AutoProcIntegrationCurvePlotter.prototype.getLabels=CurvePlotter.prototype.getLabels,AutoProcIntegrationCurvePlotter.prototype.toCSV=function(a,b){for(var c=a.toString()+"\n",d=0;d
      '},AutoProcIntegrationCurvePlotter.prototype.getPanel=function(){return this.plotPanel=Ext.create("Ext.panel.Panel",{layout:{type:"fit"},height:this.height,margin:this.margin,items:[{html:this.getHTML(),id:this.id,style:{border:"1px solid black"},height:this.height,border:1}]}),this.plotPanel},ParcelPanel.prototype.load=function(a,b){var c=this;this.dewar=a,this.dewar.index=this.index,this.shipment=b;var d="";dust.render("parcel.panel.template",{id:this.id,dewar:this.dewar,height:this.height,width:this.width},function(a,b){d=b}),$("#"+this.id).hide().html(d).fadeIn("fast"),this.panel.doLayout(),"processing"!=this.shippingStatus&&($("#"+this.id+"-add-button").removeClass("disabled"),$("#"+this.id+"-add-button").click(function(){c.showAddContainerForm()}),$("#"+this.id+"-edit-button").removeClass("disabled"),$("#"+this.id+"-edit-button").click(function(){c.showCaseForm()})),$("#"+this.id+"-print-button").click(function(){var a=c.dewar.dewarId,b=EXI.getDataAdapter().proposal.shipping.getDewarLabelURL(a,a);location.href=b}),this.containersPanel=Ext.create("Ext.panel.Panel",{id:this.id+"-containers-panel",cls:"border-grid-light",margin:0*this.height+" 0 "+.05*this.height+" 0",width:this.containersPanelWidth,height:this.containersPanelHeight,autoScroll:!1,items:[],renderTo:this.id+"-container-panel-div"}),this.renderShipmentParameters(a),this.renderPucks(a)},ParcelPanel.prototype.renderShipmentParameters=function(a){var b="";dust.render("parcel.panel.parameter.table.template",{id:this.id,dewar:a,height:this.height},function(a,c){b=c}),$("#"+this.id+"-parameters-div").hide().html(b).fadeIn("fast"),""!=a.comments&&null!=a.comments?($("#"+this.id+"-comments").hide().html("Comments: "+a.comments).fadeIn("fast"),$("#"+this.id+"-index-td").attr("rowspan",2),$("#"+this.id+"-buttons-td").attr("rowspan",2),this.panel.setHeight(this.height+25)):(this.panel.setHeight(this.height),$("#"+this.id+"-index-td").attr("rowspan",1),$("#"+this.id+"-buttons-td").attr("rowspan",1)),this.panel.doLayout()},ParcelPanel.prototype.renderPucks=function(a){var b=this;if(this.containersPanel.setLoading(!1),null!=a&&null!=a.containerVOs){this.containersPanel.removeAll();var c=EXI.proposalManager.getStockSolutionsByDewarId(a.dewarId);if(a.containerVOs.length)var d=Math.floor(this.containersPanel.width/this.containersParcelWidth);null==d&&(d=Math.floor(this.containersPanel.width/this.containersParcelWidth));for(var e=Math.ceil((this.dewar.containerVOs.length+c.length)/d),f=[],g=0;e>g;g++){var h=Ext.create("Ext.panel.Panel",{layout:"hbox",width:this.containersPanelWidth,height:this.containersPanelHeight/e,autoScroll:!1,items:[]});f.push(h),this.containersPanel.insert(h)}a.containerVOs.sort(function(a,b){return a.containerId-b.containerId});for(var i={},j=[],g=0;g0&&(d.beamlineLocation=b.shipment.sessions[0].beamlineName),d.sampleVOs=[],b.dewar.containerVOs.push(d);var e=function(a){b.renderPucks(b.dewar)},f=function(a,c){EXI.setError(c.responseText),b.renderPucks(b.dewar)};EXI.getDataAdapter({onSuccess:e,onError:f}).proposal.shipping.saveContainer(b.shippingId,b.dewar.dewarId,d.containerId,d)};EXI.getDataAdapter({onSuccess:d}).proposal.shipping.addContainer(this.shippingId,this.dewar.dewarId,a.containerType,a.capacity)}},ParcelPanel.prototype.showCaseForm=function(){var a=this,b=new CaseForm,c=Ext.create("Ext.window.Window",{title:"Parcel",height:450,width:600,modal:!0,layout:"fit",items:[b.getPanel(a.dewar)],buttons:[{text:"Save",handler:function(){a.onSavedClick.notify(b.getDewar()),c.close(),a.renderShipmentParameters(a.dewar)}},{text:"Cancel",handler:function(){c.close()}}]});c.show()},ParcelPanel.prototype.showAddContainerForm=function(){var a=this,b=new AddContainerForm;b.onSave.attach(function(b,d){a.addContainerToDewar(d),c.close()}),b.onCancel.attach(function(a){c.close()});var c=Ext.create("Ext.window.Window",{title:"Container",height:450,width:600,modal:!0,layout:"fit",items:[b.getPanel(a.dewar)]});c.show()},ParcelPanel.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{cls:"border-grid",margin:10,height:this.height,width:this.width,autoScroll:!1,items:[{html:'
      ',autoScroll:!1,padding:this.padding,width:this.width}]}),this.panel},ProposalGrid.prototype.load=function(a){this.data=a,this.store.loadData(a,!1)},ProposalGrid.prototype.getFilter=function(a){return[{property:"Proposal_proposalNumber",value:a,anyMacth:!0}]},ProposalGrid.prototype.filter=function(a){},ProposalGrid.prototype._getTbar=function(){var a=this,b=[];return b.push({xtype:"textfield",name:"field1",emptyText:"search by number",hidden:this.isHidden,listeners:{change:function(b,c){var d=b.getValue();""!=d?a.store.filter(a.getFilter(b.getValue())):(a.store.clearFilter(!0),a.load(a.data))}}}),b},ProposalGrid.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{fields:["Proposal_proposalId","Proposal_title","Proposal_proposalCode","Proposal_proposalNumber","Proposal_proposalType"]}),this.store.sort(["Proposal_proposalCode","Proposal_proposalNumber"]),this.panel=Ext.create("Ext.grid.Panel",{title:"Proposals",store:this.store,tbar:this._getTbar(),layout:"fit",cls:"border-grid",height:this.height,margin:this.margin,emptyText:"No proposals",columns:[{text:"Proposal",dataIndex:"Proposal_code",width:125,renderer:function(a,b,c){return""+c.data.Proposal_proposalCode+c.data.Proposal_proposalNumber+""}},{text:"Code",dataIndex:"Proposal_number",width:75,hidden:!0},{text:"Number",dataIndex:"number",width:75,hidden:!0},{text:"Title",dataIndex:"Proposal_title",flex:1}],flex:1,viewConfig:{stripeRows:!0,listeners:{cellclick:function(b,c,d,e,f,g,h,i){a.onSelected.notify(e.data)}}}}),this.tbar&&this.panel.addDocked({xtype:"toolbar",cls:"toolBarGrid",height:48,items:this._getTbar()}),this.panel},SessionGrid.prototype.load=function(a){this.sessions=_.filter(a,function(a){return _.includes(EXI.credentialManager.getBeamlineNames(),a.beamLineName)}),this.store.loadData(this.sessions,!1)},SessionGrid.prototype.filterByBeamline=function(a){if(console.log(a),a)if(a.length>0){for(var b=[],c=0;c"+moment(c.data.BLSession_startDate,"MMMM Do YYYY, h:mm:ss a").format("MMMM Do YYYY")+"":void 0}},{text:"Beamline",dataIndex:"beamLineName",width:125,hidden:!1,renderer:function(a,b,c){var d="#";return d="SAXS"==EXI.credentialManager.getTechniqueByBeamline(c.data.beamLineName)?"#/session/nav/"+c.data.sessionId+"/session":"#/mx/datacollection/session/"+c.data.sessionId+"/main",""+c.data.beamLineName+""}},{text:"Proposal",dataIndex:"Proposal_ProposalNumber",flex:1,hidden:!1,renderer:function(a,b,c){var d=c.data.Proposal_proposalCode+c.data.Proposal_ProposalNumber;return""+d+""}},{text:"Shifts",dataIndex:"nbShifts",hidden:this.isHiddenNumberOfShifts,flex:1},{text:"Local Contact",dataIndex:"beamLineOperator",width:200,hidden:this.isHiddenLocalContact,flex:1},{text:"Title",dataIndex:"Proposal_title",width:200,hidden:this.isHiddenTitle,flex:4},{text:"PI",dataIndex:"Proposal_title",width:200,hidden:this.isHiddenPI,renderer:function(a,b,c){return c.data.Person_familyName+", "+c.data.Person_givenName}},{text:"e-mail",dataIndex:"Person_emailAddress",width:200,hidden:!0,flex:1},{text:"Data Collections",dataIndex:"Person_emailAddress",width:200,renderer:function(a,b,c){function d(a,b){return b&&0!=b?''+b+''+a+"":""}function e(a){var b="";return b=b+=d("Energy",a.data.energyScanCount),b+=d("XRF",a.data.xrfSpectrumCount),b+=d("Samples",a.data.sampleCount),b+=d("Test",a.data.testDataCollectionGroupCount),b+=d("Collects",a.data.dataCollectionGroupCount),b+=d("Calibration",a.data.calibrationCount),b+=d("Sample Changer",a.data.sampleChangerCount),b+=d("HPLC",a.data.hplcCount),b+"
      "}return e(c)}},{text:"End",dataIndex:"BLSession_endDate",hidden:!0,flex:1,renderer:function(a,b,c){return c.data.BLSession_endDate}},{text:"Comments",dataIndex:"comments",hidden:!1,flex:3,renderer:function(a,b,c){return c.data.comments?"
      "+c.data.comments+"
      ":void 0}}],viewConfig:{stripeRows:!0,getRowClass:function(a,b,c,d){}},listeners:{cellclick:function(b,c,d,e,f,g,h,i){a.onSelected.notify({proposalCode:e.data.Proposal_proposalCode,proposalNumber:e.data.Proposal_ProposalNumber})}}}),this.panel},StockSolutionContainer.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{id:this.id+"-container",x:this.templateData.xMargin,y:this.templateData.yMargin,width:this.templateData.width+1,height:this.templateData.height+1,cls:"border-grid",frame:!1,border:!1,bodyStyle:"background:transparent;",items:[{html:this.getHTML(),width:this.templateData.width+1,height:this.templateData.height+1}]}),this.panel.on("boxready",function(){a.templateData.enableMainClick&&$("#"+a.id).unbind("click").click(function(b){a.onClick.notify(b.target.id)}),a.setOnMouseOverEvent()}),this.panel},StockSolutionContainer.prototype.loadSamples=function(a){this.samples=a,a&&a.length>0&&(this.containerId=a[0].Container_containerId)},StockSolutionContainer.prototype.getHTML=function(a){var b="";return this.templateData.height<40?this.templateData.fillPanel=!1:this.templateData.fillPanel=!0,dust.render("stock.solution.container.template",this.templateData,function(a,c){b=c}),b},StockSolutionContainer.prototype.setOnMouseOverEvent=function(){var a=this;$("#"+this.id).unbind("mouseover").mouseover(function(b){if(a.onMouseOver.notify(a),a.templateData.height<40){var c=b.currentTarget.id;$("#"+c).addClass("stock-solution-focus");var d="";dust.render("stock.solution.tooltip.template",a.templateData,function(a,b){d=b}),$("body").append(d),$("#hoveringTooltipDiv-"+a.stockSolutionId).css({top:$(this).offset().top,left:$(this).offset().left+a.templateData.width})}}),$("#"+this.id).unbind("mouseout").mouseout(function(b){if(a.onMouseOut.notify(a),a.templateData.height<40){var c=b.currentTarget.id;$("#"+c).removeClass("stock-solution-focus"),$("#hoveringTooltipDiv-"+a.stockSolutionId).remove()}})},StockSolutionContainer.prototype.focus=function(a){a?$("#"+this.id+"-container").addClass("stock-solution-selected"):$("#"+this.id+"-container").removeClass("stock-solution-selected")},StockSolutionsGrid.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{storeId:"stockSolutionsGridStore",fields:["acronym","buffer","concentration","volume"],data:[]}),this.panel=Ext.create("Ext.grid.Panel",{width:this.width,border:1,store:this.store,disableSelection:!1,flex:.5,columns:[{header:"Acronym",dataIndex:"acronym",type:"text",flex:1,readOnly:!0},{header:"Buffer",dataIndex:"buffer",type:"text",flex:1,readOnly:!0},{header:"Concentration (mg/ml)",dataIndex:"concentration",type:"text",flex:1,readOnly:!0},{header:"Volume (μl)",dataIndex:"volume",type:"text",flex:1,readOnly:!0}],listeners:{itemclick:function(b,c,d,e,f){a.onSelected.notify(c)}}}),this.panel},StockSolutionsGrid.prototype.load=function(a){this.stockSolutions=a;for(var b=[],c=0;c",{xtype:"textfield",name:"field1",value:"",emptyText:"search by protein acronym",listeners:{specialkey:function(a,b){b.getKey()==b.ENTER&&(location.hash="/mx/datacollection/protein_acronym/"+a.getValue()+"/main")}}}]},MXMainMenu.prototype.getOnlineDataAnalisysMenu=function(){function a(a,b){"Dimple"==a.text&&(location.hash="/tool/dimple/main"),"Job list"==a.text&&(location.hash="/tool/list")}return Ext.create("Ext.menu.Menu",{items:[{text:"Dimple",checked:!1,group:"theme",handler:a},"-",{text:"Job list",checked:!1,group:"theme",handler:a}]})},MXMainMenu.prototype.getProteinCrystalsMenu=function(){function a(a,b){"My Crystals"==a.text&&(location.hash="/crystal/nav"),"My Proteins"==a.text&&(location.hash="/protein/nav"),"Puck"==a.text&&(location.hash="/puck/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"My Crystals",icon:"../images/icon/macromolecule.png",handler:a},{text:"My Proteins",icon:"../images/icon/testtube.png",handler:a},{text:"Puck",icon:"../images/icon/testtube.png",handler:a}]})},MXMainMenu.prototype.getDataExplorerMenu=function(){function a(a,b){"Calendar"==a.text&&(location.hash="/session/nav"),"Experiments"==a.text&&(location.hash="/experiment/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"Calendar",icon:"../images/icon/sessions.png",handler:a}]})},AutoProcIntegrationListView.prototype.getPanel=ListView.prototype.getPanel,AutoProcIntegrationListView.prototype.load=ListView.prototype.load,AutoProcIntegrationListView.prototype.getFilter=ListView.prototype.getFilter,AutoProcIntegrationListView.prototype.getFields=ListView.prototype.getFields,AutoProcIntegrationListView.prototype.getColumns=ListView.prototype.getColumns,AutoProcIntegrationListView.prototype.getRow=function(a){var b="";return dust.render("autoprocintegration.listview",a.data,function(a,c){b=c}),b},CrystalListView.prototype.getPanel=ListView.prototype.getPanel,CrystalListView.prototype.load=ListView.prototype.load,CrystalListView.prototype.getFilter=ListView.prototype.getFilter,CrystalListView.prototype.getFields=ListView.prototype.getFields,CrystalListView.prototype.getColumns=ListView.prototype.getColumns,CrystalListView.prototype.getRow=function(a){var b="";return dust.render("crystal.listview",a.data,function(a,c){b=c}),b},DewarListView.prototype.getPanel=ListView.prototype.getPanel,DewarListView.prototype.load=ListView.prototype.load,DewarListView.prototype.getFields=ListView.prototype.getFields,DewarListView.prototype.getColumns=ListView.prototype.getColumns,DewarListView.prototype.getRow=function(a){var b="";return dust.render("dewarlistview",a.data,function(a,c){b=c}),b},PhasingListView.prototype.getPanel=ListView.prototype.getPanel,PhasingListView.prototype.load=ListView.prototype.load,PhasingListView.prototype.getFields=ListView.prototype.getFields,PhasingListView.prototype.getColumns=ListView.prototype.getColumns,PhasingListView.prototype.getFilter=ListView.prototype.getFilter,PhasingListView.prototype.getRow=function(a){var b="";return dust.render("phasinglistview",a.data,function(a,c){b=c}),b},PhasingListView.prototype.analysizeStep=function(a){return console.log(a),{type:a.phasingStepType}},PhasingListView.prototype.parsePrepareNode=function(a){return{type:"PREPARE",spaceGroupShortName:a.spaceGroupShortName,spaceGroup:a.spaceGroup,status:"Success",phasingStepId:a.phasingStepId}},PhasingListView.prototype.parseSubstructureNode=function(a){if(a&&a.children){var b="Failure";return a.children.length>0&&(b="Success"),0==a.children.length&&(b="Not found"),{type:"SUBS. DETERMINATION",spaceGroupShortName:a.spaceGroupShortName,spaceGroup:a.spaceGroup,runs:a.children.length,status:b}}},PhasingListView.prototype.getSubstructureStep=function(a){return a&&a.children?a.children:[]},PhasingListView.prototype.getPhasingSteps=function(a){var b=[];if(a)for(var c=this.getSubstructureStep(a),d=0;d24&&(c=!0),-1!=a[e].indexOf("Pseudo_free_CC")&&Number(b[e])>65&&(d=!0);return d&&c?1:0},PhasingListView.prototype.analizePhasingNodes=function(a){for(var b={withStatistics:0,withoutStatistics:0,successCondition:0},c=0;c0&&(c="Success"),0==b.length&&(c="Not found"),{type:"PHASING",runs:b.length,status:c,stats:this.analizePhasingNodes(b)}}},PhasingListView.prototype.parseModelNode=function(a){var b=this.getModelSteps(a),c="Failure";return b.length>0&&(c="Success"),0==b.length&&(c="Not found"),{type:"MODEL BUILDING",runs:b.length,status:c}},PhasingListView.prototype.formatData=function(a){var b=[];if(a)for(var c=0;cAcronym:"+a.data.acronym+"",b=b+"Name:"+a.data.name+"",b+""},ProteinListView.prototype.getFilter=function(a){return[{property:"acronym",value:a,anyMacth:!0}]},ProteinListView.prototype.getColumns=function(){var a=this;return[{text:"Proteins",flex:1,dataIndex:"bufferId",renderer:function(b,c,d){return a.getRow(d)}}]},ProteinListView.prototype.getFields=function(){return["acronym","name"]},PuckListView.prototype.getPanel=ListView.prototype.getPanel,PuckListView.prototype.load=ListView.prototype.load,PuckListView.prototype.getFilter=ListView.prototype.getFilter,PuckListView.prototype.getFields=ListView.prototype.getFields,PuckListView.prototype.getColumns=ListView.prototype.getColumns,PuckListView.prototype.getRow=function(a){var b="";return dust.render("puck.listview",a.data,function(a,c){b=c}),b},WorkflowStepListView.prototype.getPanel=ListView.prototype.getPanel,WorkflowStepListView.prototype.load=ListView.prototype.load,WorkflowStepListView.prototype.getRow=function(a){var b="";return a.data.imageURL=EXI.getDataAdapter().mx.workflowstep.getImageByWorkflowStepId(a.data.workflowStepId),dust.render("workflowstepmain_steps",a.data,function(a,c){b=c}),b},WorkflowStepListView.prototype.getFilter=function(a){return[{property:"acronym",value:a,anyMacth:!0}]},WorkflowStepListView.prototype.getColumns=function(){var a=this;return[{text:"Workflows",flex:1,dataIndex:"bufferId",renderer:function(b,c,d){return a.getRow(d)}}]},WorkflowStepListView.prototype.getFields=function(){return["acronym","name"]},AutoprocessingRanker.prototype.rank=function(a,b){function c(a,c){var d=a[b].replace(/\s/g,""),e=c[b].replace(/\s/g,"");return _.indexOf(ExtISPyB.spaceGroups,d)==_.indexOf(ExtISPyB.spaceGroups,e)?parseFloat(a.innerShell.rMerge)-parseFloat(c.innerShell.rMerge):_.indexOf(ExtISPyB.spaceGroups,e)-_.indexOf(ExtISPyB.spaceGroups,d)}function d(a,b){return parseFloat(a.innerShell.rMerge)-parseFloat(b.innerShell.rMerge)}var e=_.filter(a,function(a){return!!(a.innerShell&&a.innerShell.rMerge&&Number(a.innerShell.rMerge)<=10&&Number(a.innerShell.rMerge)>0)}),f=_.filter(a,function(a){return!!(a.innerShell&&a.innerShell.rMerge&&(Number(a.innerShell.rMerge)>10||Number(a.innerShell.rMerge)<=0))});if(e.sort(c),f.sort(d),e[0]&&(e[0].label="BEST"),f)for(var g=0;g 10";return _.concat(e,f)},AutoprocessingRanker.prototype.sortBySpaceGroup=function(a,b){try{for(var c=0;c'+c.data.fileName+""}}],flex:1,viewConfig:{stripeRows:!0}}),this.panel},AutoProcIntegrationGrid.prototype.parseData=function(a){for(var b=0;brfactor
      ',width:b,height:a},{html:'
      completeness
      ',width:b,height:a},{html:'
      sigmaI
      ',width:b,height:a}]},{xtype:"container",layout:"hbox",margin:20,items:[{html:'
      cc2
      ',width:b,height:a},{html:'
      sigmaAnno
      ',width:b,height:a},{html:'
      anno
      ',width:b,height:a}]}]}),this.panel},AutoProcIntegrationMainView.prototype.load=function(a){this.panel.setTitle("Autoprocessing"),this.autoProcIntegrationGrid.load(a);for(var b=[],c=0;c
    ",margin:"0 0 0 5",height:800}]}]}]})},ImageMainView.prototype.loadDetectorPanel=function(a,b){var c=this.makeHTMLTable("Detector",[["Model",b.Detector_detectorModel],["Manufacturer",b.Detector_detectorManufacturer],["Mode",b.Detector_detectorMode],["Pixel Size",a.pixelSize.x+" x "+a.pixelSize.y],["sensitive Area",a.sensitiveArea.x+" x "+a.sensitiveArea.y]],null,a.img),d=this.makeHTMLTable("Data Collection",[["Collected on",b.DataCollectionGroup_endTime],["Experiment Type",b.DataCollectionGroup_experimentType],["Centering",b.DataCollection_centeringMethod],["Exposure Timee",b.DataCollection_exposureTime],["Directory",b.DataCollection_imageDirectory],["BeamLine",b.BLSession_beamLineName],["Detector Distance",b.DataCollection_detectorDistance],["Flux",b.DataCollection_flux],["Resolution",b.DataCollection_resolution],["Transmission",b.DataCollection_transmission],["WaveLength",b.DataCollection_wavelength]]);return"WARNING: If image is not displayed please, refresh the page (F5)
    "+d+c},ImageMainView.prototype.makeHTMLTable=function(a,b,c,d){var e=800;null!=c&&null!=c["with"]&&(e=c["with"]);var f="";if(null!=b)for(var g=0;g";for(var h=0;h"+b[g][h]+"",null!=d&&0==g&&h==b[g].length-1&&(f=f+'")}return a.register("bootstrap.grid.template",b),b.__dustBody=!0,c.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
    ')}return a.register("buttons.puck.parcel.shipping.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
    ')}return a.register("container.parcel.buttons.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
    ')}function c(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function d(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function e(a,b){return a.w("cursor:pointer;")}return a.register("container.widget.template",b),b.__dustBody=!0,c.__dustBody=!0,d.__dustBody=!0,e.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
    ")}function c(a,b){return a.w("")}function d(a,b){return a.w("selected")}function e(a,b){return a.f(b.getPath(!0,[]),b,"h")}function f(a,b){return a.f(b.get(["spaceGroup"],!1),b,"h")}return a.register("crystal.edit.form.template",b),b.__dustBody=!0,c.__dustBody=!0,d.__dustBody=!0,e.__dustBody=!0,f.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
    '+a+'
    '+f+"
    "),f},ImageMainView.prototype.load=function(a,b){var c=this;this.panel.setTitle("Image");var d=EXI.getDataAdapter().mx.dataCollection.getImageById(a),e=function(a,b){var e=(b[0],b[0].DataCollection_wavelength),f=b[0].DataCollection_detectorDistance,g=b[0].DataCollection_xBeam,h=b[0].DataCollection_yBeam;null!=ExtISPyB.detectors[b[0].detectorModel]?c.detectorResolution=ExtISPyB.detectors[b[0].detectorModel]:alert("Not detector loaded"),c.imageViewer.load(d,e,f,g,h,c.detectorResolution),document.getElementById(c.id+"detector").innerHTML=c.loadDetectorPanel(c.detectorResolution,b[0])};EXI.getDataAdapter({onSuccess:e}).mx.dataCollection.getByDataCollectionId(b)},CrystalMainView.prototype.getPanel=MainView.prototype.getPanel,CrystalMainView.prototype.getContainer=function(){return this.panel=Ext.createWidget("tabpanel",{plain:!0,margin:"10 30 10 10",items:[{tabConfig:{title:"Samples list"},items:[{xtype:"container",layout:"fit",style:{borderColor:"gray",borderStyle:"solid",borderWidth:"1px","background-color":"white"},items:[this.samplesGrid.getPanel()]}]},{tabConfig:{title:"Create a new CrystalForm"},items:[{ +xtype:"container",layout:"fit",style:{borderColor:"gray",borderStyle:"solid",borderWidth:"1px","background-color":"white"},items:[this.crystalForm.getPanel()]}]}]}),this.panel},CrystalMainView.prototype.load=function(a){this.panel.setTitle(a.proteinVO.acronym),this.crystalForm.load(a),this.samplesGrid.load(a)},AutoProcessingFileManager.prototype.show=function(a){var b=this;this.autoProcStore=Ext.create("Ext.data.Store",{fields:["v_datacollection_processingPrograms","v_datacollection_summary_phasing_autoproc_space_group","v_datacollection_summary_phasing_autoProcProgramId","text"]});var c=Ext.create("Ext.form.ComboBox",{fieldLabel:"Choose",store:this.autoProcStore,queryMode:"local",displayField:"v_datacollection_processingPrograms",height:25,valueField:"v_datacollection_summary_phasing_autoProcProgramId",tpl:Ext.create("Ext.XTemplate",'','
    {v_datacollection_processingPrograms} {v_datacollection_summary_phasing_autoproc_space_group}
    ',"
    "),listeners:{scope:b,select:function(a,c,d){b.programId=c[0].data.v_datacollection_summary_phasing_autoProcProgramId,b.programId&&b.reloadData(b.programId,b.filtered)}}});Ext.create("Ext.window.Window",{height:600,title:"Autoprocessing Files Explorer",width:900,modal:!0,items:[{xtype:"container",layout:"hbox",margin:"10 5 10 5",items:[c,{xtype:"checkboxfield",boxLabel:"Filter by MTZ files",margin:"0 0 0 40",checked:!1,listeners:{scope:b,change:function(a,c,d){b.reloadData(b.programId,c)}}}]},this.autoProcIntegrationAttachmentGrid.getPanel()]}).show()},AutoProcessingFileManager.prototype.reloadData=function(a,b){this.programId=a,this.filtered=b;var c=_.flatten(this.attachments);this.programId&&(c=this.attachments[_.indexOf(this.autoProcProgramIds,this.programId)]),this.filtered&&(c=_.filter(c,function(a){return-1!=a.fileName.indexOf(".mtz")})),c||(c=[]),this.autoProcIntegrationAttachmentGrid.load(c)},AutoProcessingFileManager.prototype.load=function(a){var b=this,c=function(a,c){var d=function(a,c){c.length!=b.autoProcProgramIds.length&&(b.autoProcProgramIds=_.filter(b.autoProcProgramIds,function(a){return null!=a})),b.attachments=c,b.autoProcIntegrationAttachmentGrid.load(_.flatten(c)),b.autoProcIntegrationAttachmentGrid.panel.setLoading(!1)};return b.autoProcIntegrationAttachmentGrid.panel.setLoading("Retrieving files"),b.autoProcProgramIds=_.map(c[0],"v_datacollection_summary_phasing_autoProcProgramId"),b.autoProcStore.loadData(c[0]),b.autoProcProgramIds&&b.autoProcProgramIds.length>0?void EXI.getDataAdapter({onSuccess:d}).mx.autoproc.getAttachmentListByautoProcProgramsIdList(b.autoProcProgramIds):void b.autoProcIntegrationAttachmentGrid.panel.setLoading(!1)};this.autoProcIntegrationAttachmentGrid.panel.setLoading(),EXI.getDataAdapter({onSuccess:c}).mx.autoproc.getViewByDataCollectionId(a)},DataCollectionGrid.prototype.loadMagnifiers=function(a){for(var b=0;b0&&(e.isScreeningVisible=!1),d.data.WorkflowStep_workflowStepType&&(e.workflows=(new WorkflowSectionDataCollection).parseWorkflow(d.data)),null==e.workflows&&(e.workflows=[]),dust.render(a.template,e,function(a,b){f+=b}),f}},{header:"IDs",dataIndex:"dataCollectionGroup",name:"dataCollectionGroup",flex:1.5,hidden:!0,renderer:function(a,b,c){var d="";return dust.render("ids.mxdatacollectiongrid.template",c.data,function(a,b){d=b}),d}}];return b},DataCollectionMxMainView.prototype.getPanel=MainView.prototype.getPanel,DataCollectionMxMainView.prototype.getContainer=function(){return this.container=Ext.create("Ext.tab.Panel",{minHeight:900,padding:"5 40 0 5",items:[{title:"Data Collections",cls:"border-grid",id:this.id+"_dataCollectionTab",items:[this.genericDataCollectionPanel.getPanel()]},{title:"Energy Scans",cls:"border-grid",id:this.id+"_energyTab",items:[this.energyScanGrid.getPanel()]},{title:"Fluorescence Spectra",id:this.id+"_xfeTab",cls:"border-grid",items:[this.xfeScanGrid.getPanel()]}]}),this.container},DataCollectionMxMainView.prototype.loadEnergyScans=function(a){return a&&a.length>0?(Ext.getCmp(this.id+"_energyTab").setTitle(a.length+" Energy Scans"),void this.energyScanGrid.load(a)):void Ext.getCmp(this.id+"_energyTab").setDisabled(!0)},DataCollectionMxMainView.prototype.loadFXEScans=function(a){return a&&a.length>0?(Ext.getCmp(this.id+"_xfeTab").setTitle(a.length+" Fluorescence Spectra"),void this.xfeScanGrid.load(a)):void Ext.getCmp(this.id+"_xfeTab").setDisabled(!0)},DataCollectionMxMainView.prototype.loadCollections=function(a){var b=_.filter(a,function(a){return null!=a.DataCollection_dataCollectionId});if(b){for(var c=0;c0){for(var g=300,h={},i=$("
    "+f+"
    "),j=0;j0){var p=[];for(sample in o)p.push(o[sample].DataCollection_dataCollectionId);m[n]=p.toString()}}h[e.containerIds[j]]=m}}var q=function(a,b){if(b)for(var c=0;c10&&(l=new UniPuckWidget(i)),$("#puck-panel-"+d).html(l.getPanel().html),cells=[];for(var m=0;m0&&(q="COLLECTED"),cells.push({location:n.BLSample_location,state:q,selected:o,sample_name:n.BLSample_name,protein_acronym:n.Protein_acronym,protein_name:n.Protein_name,containerId:n.Container_containerId,container_code:n.Container_code,dewarId:n.Dewar_dewarId,dataCollectionIds:p}),l.load(cells);var r="";dust.render("containers.info.mxdatacollectiongrid.template",cells[0],function(a,b){r+=b}),$("#puck-panel-"+d+"-info").html(r)}}};f=i.html(),EXI.getDataAdapter({onSuccess:q}).mx.sample.getSamplesByContainerId(e.containerIds)}return f}},{header:"IDs",dataIndex:"dataCollectionGroup",name:"dataCollectionGroup",flex:1.5,hidden:!0,renderer:function(a,b,c){var d="";return dust.render("ids.mxdatacollectiongrid.template",c.data,function(a,b){d=b}),d}}];return b},ContainersDataCollectionGrid.prototype.select=function(a){var b={};for(sample in a)null==b[a[sample].Container_containerId]?b[a[sample].Container_containerId]=[a[sample].BLSample_location]:b[a[sample].Container_containerId].push(a[sample].BLSample_location);this.store.loadData([{containerIds:this.getContainersId(this.dataCollectionGroup),selected:b}])},ContainersDataCollectionGrid.prototype.getContainersId=function(a){return _.filter(Object.keys(_.keyBy(a,"Container_containerId")),function(a){return isNumber(a)})},ContainersDataCollectionGrid.prototype.load=function(a){this.dataCollectionGroup=a,this.store.loadData([{containerIds:this.getContainersId(this.dataCollectionGroup),selected:{}}])},CustomSectionDataCollection.prototype.getMeshScan=function(a){var b=[],c=[],d=[];if(null!=a.WorkflowStep_workflowStepType){b=a.WorkflowStep_workflowStepType.split(","),c=a.WorkflowStep_status.split(","),d=a.WorkflowStep_workflowStepId.split(",");for(var e=0;e",{xtype:"textfield",id:this.id+"_search",width:400,emptyText:"enter search prefix, sample or protein",listeners:{specialkey:function(a,c){c.getKey()==c.ENTER&&(b.filter=a.getValue(),"CONTAINERS"==b.renderingType?""!=Ext.getCmp(b.id+"_search").getValue()?b.containersDataCollectionGrid.select(b.filterBy(Ext.getCmp(b.id+"_search").getValue())):(Ext.getCmp(b.id+"_found").setText(""),b.reloadData(b.dataCollectionGroup)):b.reloadData(b.filterBy(a.getValue())))}}},{xtype:"tbtext",text:"",id:this.id+"_found"}]})},MXDataCollectionGrid.prototype.reloadData=function(a){this.panel.removeAll(),this.panel.add(this.activePanel.getPanel(this.dataCollectionGroup)),this.activePanel.load(a)},MXDataCollectionGrid.prototype.load=function(a){this.dataCollectionGroup=a,this.activePanel.load(this.dataCollectionGroup)},MXDataCollectionGrid.prototype.filterBy=function(a){var b=_.filter(this.dataCollectionGroup,function(b){for(var c=["DataCollection_imagePrefix","Protein_acronym","BLSample_name"],d=0;d0&&(j="Success"),b.push({name:i,dataCollectionId:a.DataCollection_dataCollectionId,run:f[i].run,success:f[i].success,spaceGroup:f[i].spaceGroup,status:j,items:[]})}}return b.length>0?{name:"Autoprocessing",items:b,status:"Success",datacollectionId:a.DataCollection_dataCollectionId}:{name:"Autoprocessing",datacollectionId:a.DataCollection_dataCollectionId,status:"Not found",items:[]}},OnlineResultSectionDataCollection.prototype.getPhasingResults=function(a){return null!=a?null!=a.Phasing_phasingStepType?{name:"Phasing",datacollectionId:a.DataCollection_dataCollectionId,items:[{name:"Phasing",status:"Success",items:[]}]}:{name:"Phasing",datacollectionId:a.DataCollection_dataCollectionId,items:[{name:"No phasing",status:"Not found",items:[]}]}:void 0},OnlineResultSectionDataCollection.prototype.parseData=function(a){var b=[];return b.push(this.getAutoprocResults(a)),b.push(this.getScreeningData(a)),b},OnlineResultSectionDataCollection.prototype.getHTML=function(a,b){var c=this.parseData(a);c[0].autoProcResults=b;var d="";return dust.render("resultsection.autoprocessing",c,function(a,b){d=b}),d},OnlineResultSectionDataCollection.prototype.getPhasingHTML=function(a){var b="";if(null!=a){if(null!=a.Phasing_phasingStepType){for(var c=a.Phasing_phasingStepType.split(","),d=[],e=0;e0){var h=[];for(sample in g)h.push(g[sample].DataCollection_dataCollectionId);e[f]=h.toString()}}var i={mainRadius:100,enableMouseOver:!1,enableClick:!1,dataCollectionIds:e},j=new PuckLegend;$("#sample_puck_legend_"+b).html(j.getPanel().html);var k=function(a,d){if(d){var e=new UniPuckWidget(i);10==c.Container_capacity&&(e=new SpinePuckWidget(i));var f=_.map(d,"BLSample_location").map(function(a){return parseInt(a)}),g=_.max(f);g&&(e=g>10?new UniPuckWidget(i):new SpinePuckWidget(i)),$("#sample_puck_layout_"+b).html(e.getPanel().html),e.loadSamples(d,c.BLSample_location)}};EXI.getDataAdapter({onSuccess:k}).mx.sample.getSamplesByContainerId(c.Container_containerId)}},UncollapsedDataCollectionGrid.prototype.attachCallBackAfterRender=function(){var a=this,b=document.getElementById(document.getElementById(a.id).parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.id),c={bind:"event",appendScroll:b,beforeLoad:function(a){console.log('image "'+a.data("src")+'" is about to be loaded')},onFinishedAll:function(){EXI.mainStatusBar.showReady()}},d=(setTimeout(function(){$(".img-responsive").lazy(c)},500),setTimeout(function(){$(".smalllazy").lazy(c)},500),function(b){this.grid=b,$('a[data-toggle="tab"]').on("shown.bs.tab",function(b){var c=$(b.target).attr("href");if(c.startsWith("#dc")){var d=c.slice(4);a.displayDataCollectionTab(c,d)}if(c.startsWith("#re")){var e=c.slice(4);a.displayResultAutoprocessingTab(c,e)}if(c.startsWith("#sa")){var e=c.slice(4);a.displaySampleTab(c,e)}if(c.startsWith("#wf")){var e=c.slice(4);a.displayWorkflowsTab(c,e)}if(c.startsWith("#ph")){var d=c.slice(4);a.displayPhasingTab(c,d)}})});setTimeout(d,500,a)},WorkflowSectionDataCollection.prototype.parseWorkflow=function(a){var b=[],c=[],d=[],e=[];if(null!=a.WorkflowStep_workflowStepType){b=a.WorkflowStep_workflowStepType.split(","),c=a.WorkflowStep_status.split(","),d=a.WorkflowStep_workflowStepId.split(",");for(var f=0;f
    VIEWER
    "}return d.data.fileName.endsWith(".pdb")&&(e=a.findPDBMatch(d.data.fileName),null!=e)?(e=EXI.getDataAdapter().mx.phasing.downloadPhasingFilesByPhasingAttachmentId(e.phasingProgramAttachmentId),f="viewers/pv/index.html?pdb="+e,"
    VIEWER
    "):void 0}},{text:"filePath",flex:1,hidden:!0,dataIndex:"filePath"},{xtype:"actioncolumn",flex:.3,text:"Download",items:[{icon:"../images/icon/ic_get_app_black_24dp.png",tooltip:"Download",handler:function(a,b,c){window.open(EXI.getDataAdapter().mx.phasing.downloadPhasingFilesByPhasingAttachmentId(a.store.getAt(b).data.phasingProgramAttachmentId))}}]}]}),this.panel},PhasingGrid.prototype.load=function(a){this.store.loadData(a,!1)},PhasingGrid.prototype._getTbar=function(){var a=[];return a.push(Ext.create("Ext.Action",{text:"Add",icon:"images/icon/add.png",disabled:!1,handler:function(a,b){}})),a},PhasingGrid.prototype.getPanel=function(){return this.store=Ext.create("Ext.data.Store",{fields:["phasingStepId"]}),this.store.sort("phasingStepId"),this.panel=Ext.create("Ext.grid.Panel",{title:"Phasing steps",store:this.store,cls:"border-grid",layout:"fit",columns:[{text:"phasingStepId",hidden:!0,dataIndex:"phasingStepId",flex:1},{text:"Space Group",hidden:!0,dataIndex:"spaceGroupShortName",flex:1},{text:"Prepare",dataIndex:"phasingStepType",flex:.2,renderer:function(a,b,c){var d="";try{dust.render("phasinggrid.prepare",c.data,function(a,b){d=b})}catch(a){return"Parsing error"}return d}},{text:"Substructure Determination",dataIndex:"phasingStepType",flex:.4,renderer:function(a,b,c){var d="";try{dust.render("phasinggrid.substructure",c.data.children,function(a,b){d=b})}catch(a){return"Parsing error"}return d}},{text:"Phasing",dataIndex:"phasingStepType",flex:1,renderer:function(a,b,c){var d="",e=function(a,b){d=d+"
    "+b};try{for(var f=c.data.children,g=0;g0)for(var f=0;fc&&Number(a[b])(CC)",flex:1,dataIndex:"Pseudo_free_CC"},{text:"Partial Model
    (CC)",flex:1,dataIndex:"CC of partial model"},{text:"Avg. Fragment
    Length",flex:1,dataIndex:"Average Fragment Length"}]}),this.panel},ConfirmShipmentView.prototype.getPanel=function(){var a=this;return this.pucksList=Ext.create("Ext.panel.Panel",{cls:"rounded-border",title:"Sample Changer",width:600,height:490,margin:5,autoScroll:!0,items:[]}),this.panel=Ext.create("Ext.panel.Panel",{height:500,layout:{type:"hbox",align:"center",pack:"center"},margin:5,items:[this.pucksList]}),this.panel.on("boxready",function(){a.sampleChangerName&&a.loadSampleChanger(a.sampleChangerName)}),this.panel},ConfirmShipmentView.prototype.loadSampleChanger=function(a){var b=this,c={radius:200,isLoading:!1},d=null;if("FlexHCD"==a?d=new FlexHCDWidget(c):"SC3"==a&&(d=new SC3Widget(c)),this.sampleChangerWidget=d,this.panel.insert(0,d.getPanel()),"undefined"!=typeof Storage){var e=sessionStorage.getItem("puckData");e&&this.sampleChangerWidget.load(JSON.parse(e))}this.sampleChangerWidget.render(),this.sampleChangerWidget.onPuckSelected.attach(function(a,c){b.selectPuck(c)}),this.loadPucksList(this.sampleChangerWidget)},ConfirmShipmentView.prototype.loadPucksList=function(a){var b="";dust.render("confirm.table.prepare.template",{pucks:Object.values(a.getPuckData())},function(a,c){b=c}),this.pucksList.add({html:b})},ContainerPrepareSpreadSheet.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{storeId:"spreadSheedStore",fields:["shippingName","shippingId","barCode","containerCode","containerType","sampleCount","beamlineName","beamlineCombo","sampleChangerLocation","dewarId","containerId","capacity"],data:[]}),this.panel=Ext.create("Ext.grid.Panel",{title:"Loaded or to be Loaded on MxCube",buttons:[{xtype:"button",text:'
    Unload all
    ',width:200,color:"#FFFFFF",scale:"large",style:{background:"#444444"},handler:function(){var b=function(b,c){a.onUnloadAllButtonClicked.notify(),a.loadProcessingDewars(a.sampleChangerWidget)};EXI.getDataAdapter({onSuccess:b}).proposal.dewar.emptySampleLocation(_.map(a.dewars,"containerId"))}}],store:this.store,cls:"border-grid",height:this.height,width:this.width,flex:.5,columns:[{header:"Shipment",dataIndex:"shippingName",type:"text",flex:1,readOnly:!0},{header:"DewarId",dataIndex:"dewarId",type:"text",flex:1,hidden:!0,readOnly:!0},{header:"ShippingId",dataIndex:"shippingId",type:"text",flex:1,hidden:!0,readOnly:!0},{header:"ContainerId",dataIndex:"containerId",hidden:!0,type:"text",flex:1,readOnly:!0},{header:"Container",dataIndex:"containerCode",type:"text",flex:1,readOnly:!0,renderer:function(a,b,c,d){return c.data.containerCode+" ("+c.data.sampleCount+" samples)"}},{header:"Barcode",dataIndex:"barCode",type:"text",flex:1,readOnly:!0},{header:"Container type",dataIndex:"containerType",type:"text",flex:.75,readOnly:!0,renderer:function(a,b,c,d){switch(c.data.containerType){case"Unipuck":return"UNIPUCK";case"Spinepuck":return"SPINEPUCK";default:return c.data.containerType}}},{header:"Samples",dataIndex:"sampleCount",type:"text",flex:.6,hidden:!0,readOnly:!0},{header:"Beamline",dataIndex:"beamlineName",hidden:!0,type:"dropdown",flex:1,source:EXI.credentialManager.getBeamlineNames()},{header:"Beamline",dataIndex:"beamlineCombo",type:"text",flex:1,readOnly:!0,renderer:function(b,c,d,e){var f=_.map(EXI.credentialManager.getBeamlinesByTechnique("MX"),"name");f=_.union(f,[d.data.beamlineName]);var g={beamlines:f,selected:d.data.beamlineName,containerId:d.data.containerId,id:a.id},h="";return dust.render("beamlines.combobox.template",g,function(a,b){h=b}),h}},{header:"Sample Changer Location",dataIndex:"sampleChangerLocation",flex:1,type:"text",tdCls:"scl-cell"}],viewConfig:{getRowClass:function(b,c,d,e){if(""==b.get("sampleChangerLocation")||" "==b.get("sampleChangerLocation")||null==b.get("sampleChangerLocation"))return"warning-row";for(var f=0;f",flex:1,height:400}]}),this.panel},ContainerPrepareSpreadSheet.prototype.loadProcessingDewars=function(a){var b=this;this.panel.setLoading();var c=function(c,d){var e=_.filter(d,function(a){return"processing"==a.shippingStatus});b.load(e,a),b.panel.setLoading(!1),b.onLoaded.notify(e)},d=function(a,c){EXI.setError("Ops, there was an error"),b.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c,onError:d}).proposal.dewar.getDewarsByProposal()},ContainerPrepareSpreadSheet.prototype.load=function(a,b){var c=this;this.dewars=a,b&&(this.sampleChangerWidget=b);for(var d=[],e=!1,f=0;f0?this.createSampleChangerWidget(b[0].sampleChangerType,b[0].name):this.createSampleChangerWidget("FlexHCD",a),this.widgetContainer.removeAll(),this.load(this.containers),this.widgetContainer.insert(this.sampleChangerWidget.getPanel()),this.reloadSampleChangerWidget(),this.sampleChangerWidget.blink(),this.returnToSelectionStatus()},LoadSampleChangerView.prototype.load=function(a){var b=this;this.sampleChangerWidget.emptyAllPucks();var c={};if(a){this.containers=a;for(var d=0;d
    "},this.widgetContainer]}),this.panel=Ext.create("Ext.panel.Panel",{autoScroll:!0,layout:"hbox",height:this.height,width:this.width,margin:5,items:[this.containerListEditor.getPanel(),this.verticalPanel]}),this.panel.on("boxready",function(){a.reloadSampleChangerWidget(),$("#"+a.id+"-unloadSC-button").unbind("click").click(function(b){var c=_.map(_.map(a.sampleChangerWidget.getAllFilledPucks(),"puckWidget"),"containerId");if(c.length>0){var d=function(b,c){a.returnToSelectionStatus(),a.load()};EXI.getDataAdapter({onSuccess:d}).proposal.dewar.emptySampleLocation(c)}})}),this.panel},LoadSampleChangerView.prototype.reloadSampleChangerWidget=function(){var a=this;this.sampleChangerWidget.setClickListeners(),this.sampleChangerWidget.onPuckSelected.attach(function(b,c){a.selectedContainerId?a.selectedPuck&&a.selectedPuck==c?a.returnToSelectionStatus():a.loadSampleChangerPuck(c,a.selectedContainerId):a.selectedPuck?a.selectedPuck==c?a.returnToSelectionStatus():(a.deselectRow(),a.deselectPuck(),a.setSelectedPuck(c)):a.setSelectedPuck(c)}),this.sampleChangerWidget.render(),$("#"+this.id+"-scw-label").html(this.sampleChangerWidget.beamlineName+" ("+this.sampleChangerWidget.name+")"),this.panel.doLayout()},LoadSampleChangerView.prototype.cleanPreviewPanel=function(){this.previewPanelView.clean(),this.previewPanelView.panel&&this.previewPanelView.panel.body&&this.verticalPanel.remove(this.previewPanelView.panel)},LoadSampleChangerView.prototype.previewPuck=function(a,b,c,d){this.previewPanelView.previewPanel&&this.cleanPreviewPanel(),this.verticalPanel.add(this.previewPanelView.getPanel()),this.previewPanelView.load(a,b,c,d)},PrepareMainView.prototype.updateStatus=function(a,b){var c=this;c.dewarListSelector.panel.setLoading("Updating shipment Status");var d=function(a,b){EXI.mainStatusBar.showReady("Processing update successfully"),c.dewarListSelector.panel.setLoading(!1),c.load()},e=function(a){EXI.setError(a)};EXI.getDataAdapter({onSuccess:d,onError:e}).proposal.shipping.updateStatus(a,b)},PrepareMainView.prototype.manageButtons=function(){1==this.currentStep?(Ext.getCmp("previous-button").hide(),Ext.getCmp("next-button").enable()):(Ext.getCmp("previous-button").show(),Ext.getCmp("next-button").hide());for(var a=1;2>=a;a++)a==this.currentStep?$("#step-"+a).addClass("active-step"):$("#step-"+a).removeClass("active-step")},PrepareMainView.prototype.changeStep=function(a){this.currentStep+=a,location.href="#/mx/prepare/main"+this.steps[this.currentStep-1]},PrepareMainView.prototype.getPanel=function(){var a=this;return this.container=Ext.create("Ext.panel.Panel",{layout:{type:"hbox",pack:"center"},height:this.height,width:this.width,cls:"border-grid",items:[]}),this.panel=Ext.create("Ext.panel.Panel",{autoScroll:!0,buttons:this.getButtons(),layout:{type:"vbox",align:"center"},width:100,height:this.height+200,items:[this.getToolBar(),this.container]}),this.panel.on("boxready",function(){a.manageButtons()}),this.panel},PrepareMainView.prototype.getToolBar=function(){var a="";return dust.render("toolbar.prepare.template",[],function(b,c){a=c}),{html:a}},PrepareMainView.prototype.getButtons=function(){var a=this;return[{text:"Previous",cls:"btn btn-lg btn-success",id:"previous-button",margin:"0 0 0 300",handler:function(){a.currentStep>0&&a.changeStep(-1)}},"->",{text:"Next",cls:"btn btn-lg btn-success",id:"next-button",margin:"0 300 0 0",handler:function(b,c,d){a.currentStep<4&&a.changeStep(1)}}]},PrepareMainView.prototype.load=function(){var a=this;if($(".notifyjs-corner").empty(),this.panel.setTitle("Prepare Experiment"),this.container.removeAll(),1==this.currentStep){a.container.add(a.dewarListSelector.getPanel()),a.dewarListSelector.panel.setLoading();var b=function(b,c){a.containers=c,a.dewarListSelector.load(c),a.dewarListSelector.panel.setLoading(!1)},c=function(b,c){EXI.setError("Ops, there was an error"),a.dewarListSelector.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:b,onError:c}).proposal.dewar.getDewarsByProposal()}else if(2==this.currentStep){var b=function(b,c){a.containers=c;var d=_.uniq(_.map(_.filter(a.containers,function(a){return"processing"==a.shippingStatus}),"beamlineLocation"));if(d.length>0){var e=_.filter(EXI.credentialManager.getBeamlinesByTechnique("MX"),{name:d[0]});e.length>0?a.loadSampleChangerView.createSampleChangerWidget(e[0].sampleChangerType,e[0].name):($.notify("Warning: Unknown beamline "+d[0],"warn"),a.loadSampleChangerView.createSampleChangerWidget("FlexHCD",d[0]));for(var f=1;f0&&g.puckWidget.loadSamples(b)}this.clean();var f="";dust.render("info.grid.template",c,function(a,b){f=b}),this.infoPanel.removeAll(),this.infoPanel.add({html:f,margin:6}),this.instructionsButton.setText(d),this.puckData.containerId=a,10==b?this.puckData.puckType="Spinepuck":this.puckData.puckType="Unipuck";var g=new PuckWidgetContainer(this.puckData);this.previewPanel.add(g.getPanel()),EXI.getDataAdapter({onSuccess:e}).mx.sample.getSamplesByContainerId(a)},PreviewPanelView.prototype.clean=function(){this.previewPanel&&(this.previewPanel.removeAll(),this.infoPanel.removeAll(),this.instructionsButton.setText(""))},WorkflowStepMainView.prototype.getPanel=MainView.prototype.getPanel,WorkflowStepMainView.prototype.getContainer=function(){return this.mainPanel=Ext.create("Ext.panel.Panel",{cls:"border-grid",autoScroll:!0,title:"Workflow",margin:"10 0 0 10",flex:1,items:[]}),this.mainPanel},WorkflowStepMainView.prototype.onBoxReady=function(){},WorkflowStepMainView.prototype.getGrid=function(a,b,c){for(var d=Ext.create("Ext.data.Store",{fields:b,data:c}),e=[],f=0;f':''}},{text:"y",dataIndex:"",id:this.id+"y",flex:.5,renderer:function(b,c,d){var e=a.id+"_"+d.data.name+"_Y";return d.data.y?'':''}}],listeners:{cellclick:function(b,c,d,e,f,g,h,i){2==d&&a.setXColumn(e.data.name,document.getElementById(a.id+"_"+e.data.name+"_X").checked),3==d&&a.setYColumn(e.data.name,document.getElementById(a.id+"_"+e.data.name+"_Y").checked),a.parseData()}}}),this.grid},XfeViewerMainView.prototype.setXColumn=function(a,b){var c=_.filter(this.data.labels,function(b){return b.name==a});c&&(this.data.labels=_.map(this.data.labels,function(a){return a.x=!1,a}),c[0]&&(c[0].x=b,c[0].y=!b)),this.store.loadData(this.data.labels)},XfeViewerMainView.prototype.setYColumn=function(a,b){var c=_.filter(this.data.labels,function(b){return b.name==a});c&&c[0]&&(c[0].y=b),this.store.loadData(this.data.labels)},XfeViewerMainView.prototype.getContainer=function(){var a=this;return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:10,items:[{xtype:"container",margin:"5 0 0 5",width:300,items:[this.getGrid()]},{xtype:"container",flex:.8,margin:"5 0 0 5",items:[{html:'
    ',cls:"border-grid",id:this.id+"containerLayout",height:700},{html:'Results produced by PyMca',cls:"border-grid",margin:"2 0 0 0",flex:1,height:20}]}]})},XfeViewerMainView.prototype.getSumForLabels=function(a,b){var c=this;try{var d=function(a){return{name:a[0].name,x:a[0].x,y:a[0].y,value:a[1]}},e=_.map(_.zip(a,b),d);return e=_.reject(e,function(a){return-1!=_.indexOf(c.filters,a.name)})}catch(f){console.log(f)}},XfeViewerMainView.prototype.sumByColums=function(a,b){for(var c=new Array(a.length),d=0;d',id:this.id}]}),this.plotPanel.on("afterrender",function(){}),this.plotPanel.on("resize",function(){}),this.plotPanel},CurvePlotter.prototype.getPointCount=function(){return this.dygraph.rawData_.length},CurvePlotter.prototype.getColors=function(){return this.dygraph.getColors()},CurvePlotter.prototype.getLabels=function(){return this.dygraph.getLabels()},CurvePlotter.prototype.render=function(a){var b=this;null!=document.getElementById(this.targetId)&&(document.getElementById(this.targetId).innerHTML="",this.width=this.plotPanel.getWidth(),this.height=this.plotPanel.getHeight(),document.getElementById(this.targetId).setAttribute("style","border: 1px solid #000000; height:"+(this.plotPanel.getHeight()-1)+"px;width:"+(this.plotPanel.getWidth()-2)+"px;"),Ext.getCmp(this.id).setHeight(this.plotPanel.getHeight()),Ext.getCmp(this.id).setWidth(this.plotPanel.getWidth()),this.dygraph=new Dygraph(document.getElementById(this.targetId),a,{title:this.title,titleHeight:20,labelsSeparateLines:!0,errorBars:!0,connectSeparatedPoints:!0,pointClickCallback:function(a,c){b.onPointClickCallback.notify(c.name)}}),this.dygraph.ready(function(){b.onRendered.notify()}))},CurvePlotter.prototype.loadMerge=function(a,b,c,d){this.render(EXI.getDataAdapter().saxs.hplc.getFramesMergeURL(a,b,c,d))},CurvePlotter.prototype.loadHPLCFrame=function(a,b){this.render(EXI.getDataAdapter().saxs.hplc.getHPLCFramesScatteringURL(a,b))},CurvePlotter.prototype.loadUrl=function(a){this.render(a)},CurvePlotter.prototype.load=function(a){this.render(EXI.getDataAdapter().saxs.frame.getFramesURL(a.frame,a.average,a.subtracted,a.sampleaverage,a.bufferaverage))},AutoProcIntegrationCurvePlotter.prototype.getPointCount=CurvePlotter.prototype.getPointCount,AutoProcIntegrationCurvePlotter.prototype.getLabels=CurvePlotter.prototype.getLabels,AutoProcIntegrationCurvePlotter.prototype.toCSV=function(a,b){for(var c=a.toString()+"\n",d=0;d
    '},AutoProcIntegrationCurvePlotter.prototype.getPanel=function(){return this.plotPanel=Ext.create("Ext.panel.Panel",{layout:{type:"fit"},height:this.height,margin:this.margin,items:[{html:this.getHTML(),id:this.id,style:{border:"1px solid black"},height:this.height,border:1}]}),this.plotPanel},ElectronDensityViewer.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{buttons:this.getToolBar(),items:[{html:'
    ',height:800}]}),this.panel.on("boxready",function(){a.load()}),this.panel},ElectronDensityViewer.prototype.load=function(){var a=this,b="";dust.render("electron.density.viewer.template",a.sample,function(a,c){b+=c}),$(document.body).html(b),init_gui(),this.XV=new XtalViewer("Viewer",null,!0,!0),draw_selection_console(this.XV),this.XV.animate(),getQuery(this.XV)||(this.XV.load_pdb("data/1mru.pdb","1mru"),this.XV.load_dsn6_map("data/1mru.omap","2mFo-Dfc",0),this.XV.animate()),this.XV.enable_leap_motion()},ElectronDensityViewer.prototype.getToolBar=function(){var a=this;return[{xtype:"button",text:"Debugger",handler:function(){a.XV}}]},EnergyScanGrid.prototype.getPanel=function(a){return this.store=Ext.create("Ext.data.Store",{fields:["dataCollectionGroup"]}),this.panel=Ext.create("Ext.grid.Panel",{border:1,padding:5,store:this.store,disableSelection:!0,columns:[{header:"",dataIndex:"dataCollectionGroup",name:"dataCollectionGroup",flex:.2,renderer:function(a,b,c){var d="";return c.data.choochURL=EXI.getDataAdapter().mx.energyscan.getChoochJpegByEnergyScanId(c.data.energyScanId),dust.render("energyscangrid.template",c.data,function(a,b){d=b}),d}}],viewConfig:{enableTextSelection:!0,stripeRows:!0}}),this.panel},EnergyScanGrid.prototype.load=function(a){this.store.loadData(a)},SampleChangerWidget.prototype.blink=function(){$("#"+this.id).fadeIn().fadeOut().fadeIn();for(var a=this.getAllPucks(),b=0;bg.capacity&&(e.hasError=!0,d=_.union(d,[g]),$("#"+g.id).addClass("puck-error")),e.Dewar_dewarId!=h&&(d=_.union(d,[g]),$("#"+g.id).addClass("puck-error")),""==e.BLSample_location&&(e.hasError=!0,d=_.union(d,[g]),$("#"+g.id).addClass("puck-error"))}else g.containerId=c[g.id][0].Container_containerId,d.push(g),$("#"+g.id).addClass("puck-error");g.loadSamples(c[g.id])}return d},SampleChangerWidget.prototype.load=function(a){for(i in _.keys(a)){var b=_.keys(a)[i].substring(_.keys(a)[i].indexOf("-")+1),c=this.findPuckById(this.id+"-"+b);c.load(a[_.keys(a)[i]].cells)}},SampleChangerWidget.prototype.getStructure=function(a){var b="";return dust.render("structure.sampleChanger.template",a,function(a,c){b=c}),b},SampleChangerWidget.prototype.findPuckById=function(a){var b=this.getAllPucks();return _.find(b,function(b){return b.puckWidget.id==a}).puckWidget},SampleChangerWidget.prototype.getAllPucks=function(){var a=[];for(puckType in this.pucks)a=a.concat(this.pucks[puckType]);return a},SampleChangerWidget.prototype.getAllFilledPucks=function(){var a=this.getAllPucks();return _.filter(a,function(a){return!a.puckWidget.isEmpty})},SampleChangerWidget.prototype.render=function(){var a=this.getAllPucks();for(b in a){var b=a[b].puckWidget;for(cell in b.data.cells)b.render(b.data.cells[cell].location)}},SampleChangerWidget.prototype.setClickListeners=function(){var a=this,b=this.getAllPucks();for(puckIndex in b){var c=b[puckIndex];$("#"+c.puckWidget.id).css("cursor","pointer"),$("#"+c.puckWidget.id).unbind("click").click(function(b){b.target.classList.contains("puck-disabled")||a.onPuckSelected.notify(a.findPuckById(b.target.id))})}},SampleChangerWidget.prototype.disablePucksOfDifferentCapacity=function(a){var b=this.getAllPucks();for(puckIndex in b){var c=b[puckIndex];c.capacity!=a&&($("#"+c.puckWidget.id).addClass("puck-disabled"),c.puckWidget.disableAllCells())}},SampleChangerWidget.prototype.disablePuck=function(a){$("#"+a.id).addClass("puck-disabled"),a.disableAllCells()},SampleChangerWidget.prototype.enableAllPucks=function(){var a=this.getAllPucks();for(puckIndex in a){var b=a[puckIndex];$("#"+b.puckWidget.id).removeClass("puck-disabled"),b.puckWidget.allowAllCells()}},SampleChangerWidget.prototype.enablePuck=function(a){$("#"+a.id).removeClass("puck-disabled"),a.allowAllCells()},SampleChangerWidget.prototype.removeClassToAllPucks=function(a){var b=this.getAllPucks();for(puckIndex in b){var c=b[puckIndex];$("#"+c.puckWidget.id).removeClass(a),c.puckWidget.allowAllCells()}},SampleChangerWidget.prototype.getPuckData=function(){var a=this.getAllFilledPucks(),b={};for(puckContainerIndex in a){var c=a[puckContainerIndex],d=c.puckWidget.id;c.puckWidget.sampleChangerLocation=this.convertIdToSampleChangerLocation(d),c.puckWidget.data.sampleChangerLocation=this.convertIdToSampleChangerLocation(d),b[d]=c.puckWidget.data}return b},SampleChangerWidget.prototype.emptyAllPucks=function(){var a=this.getAllFilledPucks();for(puckIndex in a){var b=a[puckIndex];b.puckWidget.emptyAll()}},FlexHCDWidget.prototype.blink=SampleChangerWidget.prototype.blink,FlexHCDWidget.prototype.getPuckIndexFromAngle=SampleChangerWidget.prototype.getPuckIndexFromAngle,FlexHCDWidget.prototype.createPucks=SampleChangerWidget.prototype.createPucks,FlexHCDWidget.prototype.getPanel=SampleChangerWidget.prototype.getPanel,FlexHCDWidget.prototype.load=SampleChangerWidget.prototype.load,FlexHCDWidget.prototype.getStructure=SampleChangerWidget.prototype.getStructure,FlexHCDWidget.prototype.findPuckById=SampleChangerWidget.prototype.findPuckById,FlexHCDWidget.prototype.getAllPucks=SampleChangerWidget.prototype.getAllPucks,FlexHCDWidget.prototype.render=SampleChangerWidget.prototype.render,FlexHCDWidget.prototype.setClickListeners=SampleChangerWidget.prototype.setClickListeners,FlexHCDWidget.prototype.disablePucksOfDifferentCapacity=SampleChangerWidget.prototype.disablePucksOfDifferentCapacity,FlexHCDWidget.prototype.allowAllPucks=SampleChangerWidget.prototype.allowAllPucks,FlexHCDWidget.prototype.getPuckData=SampleChangerWidget.prototype.getPuckData,FlexHCDWidget.prototype.getAllFilledPucks=SampleChangerWidget.prototype.getAllFilledPucks,FlexHCDWidget.prototype.loadSamples=SampleChangerWidget.prototype.loadSamples,FlexHCDWidget.prototype.emptyAllPucks=SampleChangerWidget.prototype.emptyAllPucks,FlexHCDWidget.prototype.enableAllPucks=SampleChangerWidget.prototype.enableAllPucks,FlexHCDWidget.prototype.disablePuck=SampleChangerWidget.prototype.disablePuck,FlexHCDWidget.prototype.enablePuck=SampleChangerWidget.prototype.enablePuck,FlexHCDWidget.prototype.removeClassToAllPucks=SampleChangerWidget.prototype.removeClassToAllPucks,FlexHCDWidget.prototype.createStructure=function(){for(var a=0;a=a&&a>0){var b=Math.floor(a/3)+1,c=a%3;return 0==c&&(b--,c=3),this.id+"-"+b+"-"+c}return null},PuckLegend.prototype.getPanel=function(){var a="";return dust.render("puck.legend.template",this.data,function(b,c){a=c}),{html:a,width:this.width,height:this.height}},PuckWidget.prototype.addCirclePathCells=function(a,b,c,d){for(var e=Math.min(d*Math.sin(Math.PI/b*c),(a.mainRadius-d)*c),f=0;b>f;f++){var g=2*f*Math.PI/b,h={x:-d*Math.sin(g)+a.mainRadius,y:-d*Math.cos(g)+a.mainRadius,color:"#FFFFFF",radius:e,id:this.id+"-"+Number(a.cells.length+1),state:"EMPTY",location:Number(a.cells.length+1),selected:!1,dataCollectionIds:a.dataCollectionIds[Number(a.cells.length+1)]};a.cells.push(h)}return a},PuckWidget.prototype.getPanel=function(){var a="";return dust.render("puck.template",this.data,function(b,c){a=c}),{html:a,width:2*this.data.mainRadius+1,height:2*this.data.mainRadius+1}},PuckWidget.prototype.emptyAll=function(){for(cellIndex in this.data.cells)this.data.cells[cellIndex].state="EMPTY",this.render(this.data.cells[cellIndex].location,!0);this.isEmpty=!0,this.containerId=0,$("#"+this.id).removeClass("puck-error")},PuckWidget.prototype.loadSamples=function(a,b){for(var c=[],d=0;d0||null!=e.DataCollectionGroup_dataCollectionGroupId)&&(g="COLLECTED");var h=!1;null!=b&&(h=e.BLSample_location==b),""==e.BLSample_location&&(e.hasError=!0),c.push({location:e.BLSample_location,state:g,selected:h,sample_name:e.BLSample_name,protein_acronym:e.Protein_acronym,protein_name:e.Protein_name,dataCollectionIds:f,containerId:e.Container_containerId,containerCode:e.Container_code,hasError:e.hasError})}this.load(c)},PuckWidget.prototype.load=function(a){var b=this;$("#"+b.data.id+"-loading-text").remove();for(sampleIndex in a){var c=a[sampleIndex];if(c.hasError)this.containerId=c.containerId,this.containerCode=c.containerCode,this.data.containerId=this.containerId,this.data.containerCode=this.containerCode,this.isEmpty=!1;else{var d=this.id+"-"+c.location,e=this.findCellIndexById(d);this.data.cells[e].state=c.state,this.data.cells[e].selected=c.selected,this.data.cells[e].sample_name=c.sample_name,this.data.cells[e].protein_acronym=c.protein_acronym,this.data.cells[e].protein_name=c.protein_name,this.data.cells[e].containerId=c.containerId,this.data.cells[e].containerCode=c.containerCode,"EMPTY"!=c.state&&(this.containerId=c.containerId,this.containerCode=c.containerCode,this.data.containerId=this.containerId,this.data.containerCode=this.containerCode,this.isEmpty=!1)}}for(i in this.data.cells){var f=this.id+"-"+Number(Number(i)+1);this.enableMouseOver&&($("#"+f).unbind("mouseover").mouseover(function(a){var c=b.findCellIndexById(a.target.id);if(b.onMouseOver.notify(a.target.id.split("-")[1]),b.focusWell(a.target.id.split("-")[1],!0),b.data.cells[c].protein_acronym){var d=[{key:"Protein acronym",value:b.data.cells[c].protein_acronym}];b.data.cells[c].sample_name&&d.push({key:"Sample",value:b.data.cells[c].sample_name});var e="";dust.render("tooltip.template",d,function(a,b){e=b}),$("body").append(e),$("#hoveringTooltipDiv").css({top:$(this).offset().top-3*b.data.cells[c].radius,left:$(this).offset().left+1.5*b.data.cells[c].radius}),b.data.cells[c].y-b.data.mainRadius<0&&$("#hoveringTooltipDiv").css({top:$(this).offset().top+2*b.data.cells[c].radius,left:$(this).offset().left+b.data.cells[c].radius})}}),$("#"+f).unbind("mouseout").mouseout(function(a){b.onMouseOut.notify(),b.focusWell(a.target.id.split("-")[1],!1),$("#hoveringTooltipDiv").remove()})),this.enableClick&&$("#"+f).unbind("click").click(function(a){var c=b.findCellIndexById(a.target.id);b.render(b.data.cells[c].location,!0),$("#hoveringTooltipDiv").remove()}),this.render(this.data.cells[i].location,!0)}},PuckWidget.prototype.focus=function(a){a?$("#"+this.id).addClass("puck-selected"):$("#"+this.id).removeClass("puck-selected")},PuckWidget.prototype.focusWell=function(a,b){b?($("#"+this.id+"-"+a).attr("class","cell_focus"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_hidden")):this.render(a,!0)},PuckWidget.prototype.render=function(a){var b=this.findCellIndexById(this.id+"-"+a);switch(this.data.cells[b].state){case"FILLED":$("#"+this.id+"-"+a).attr("class","cell_filled"),$("#"+this.id+"-"+a+"-label").attr("fill","white"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_filled");break;case"COLLECTED":$("#"+this.id+"-"+a).attr("class","cell_collected"),$("#"+this.id+"-"+a+"-label").attr("fill","white"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_filled");break;case"RESULTS":$("#"+this.id+"-"+a).attr("class","cell_results"),$("#"+this.id+"-"+a+"-label").attr("fill","white"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_filled");break;case"ERROR":$("#"+this.id+"-"+a).attr("class","cell_error"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_filled"),$("#"+this.id+"-"+a+"-label").attr("fill","white");break;case"EMPTY":$("#"+this.id+"-"+a).attr("class","cell_empty"),$("#"+this.id+"-"+a+"-inner").attr("class","cell_inner_hidden"),$("#"+this.id+"-"+a+"-label").attr("fill","black")}this.data.cells[b].selected&&$("#"+this.id+"-"+a+"-inner").addClass("cell_selected")},PuckWidget.prototype.findCellIndexById=function(a){for(cellIndex in this.data.cells)if(this.data.cells[cellIndex].id==a)return cellIndex},PuckWidget.prototype.disableAllCells=function(){for(var a=0;a0&&(this.containerId=a[0].Container_containerId,this.puckWidget.loadSamples(a))},PuckWidgetContainer.prototype.focus=function(a,b){this.puckWidget.focus(a,b)},PuckWidgetContainer.prototype.blink=function(){this.puckWidget.blink()},RoboDiffWidget.prototype.blink=SampleChangerWidget.prototype.blink,RoboDiffWidget.prototype.getPuckIndexFromAngle=SampleChangerWidget.prototype.getPuckIndexFromAngle,RoboDiffWidget.prototype.createPucks=SampleChangerWidget.prototype.createPucks,RoboDiffWidget.prototype.getPanel=SampleChangerWidget.prototype.getPanel,RoboDiffWidget.prototype.load=SampleChangerWidget.prototype.load,RoboDiffWidget.prototype.getStructure=SampleChangerWidget.prototype.getStructure,RoboDiffWidget.prototype.findPuckById=SampleChangerWidget.prototype.findPuckById,RoboDiffWidget.prototype.getAllPucks=SampleChangerWidget.prototype.getAllPucks,RoboDiffWidget.prototype.render=SampleChangerWidget.prototype.render,RoboDiffWidget.prototype.setClickListeners=SampleChangerWidget.prototype.setClickListeners,RoboDiffWidget.prototype.disablePucksOfDifferentCapacity=SampleChangerWidget.prototype.disablePucksOfDifferentCapacity,RoboDiffWidget.prototype.allowAllPucks=SampleChangerWidget.prototype.allowAllPucks,RoboDiffWidget.prototype.getPuckData=SampleChangerWidget.prototype.getPuckData,RoboDiffWidget.prototype.getAllFilledPucks=SampleChangerWidget.prototype.getAllFilledPucks,RoboDiffWidget.prototype.loadSamples=SampleChangerWidget.prototype.loadSamples,RoboDiffWidget.prototype.emptyAllPucks=SampleChangerWidget.prototype.emptyAllPucks,RoboDiffWidget.prototype.enableAllPucks=SampleChangerWidget.prototype.enableAllPucks,RoboDiffWidget.prototype.disablePuck=SampleChangerWidget.prototype.disablePuck,RoboDiffWidget.prototype.enablePuck=SampleChangerWidget.prototype.enablePuck,RoboDiffWidget.prototype.removeClassToAllPucks=SampleChangerWidget.prototype.removeClassToAllPucks,RoboDiffWidget.prototype.createStructure=function(){for(var a=0;a=a&&a>0){var b=Math.floor(a/3)+1,c=a%3;return 0==c&&(b--,c=3),this.id+"-"+b+"-"+c}return null},SampleChangerSelector.prototype.getPanel=function(){return this.sampleChangerPanel=Ext.create("Ext.panel.Panel",{layout:{type:"hbox",pack:"center"},width:410,height:410,margin:50,items:[]}),this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"hbox",pack:"left"},height:this.height,width:this.width,title:"Select a sample changer type or a beamline",items:[{xtype:"container",layout:"vbox",cls:"border-grid",margin:20,items:[this.beamlinesGrid.getPanel()]},this.sampleChangerPanel]}),this.panel},SampleChangerSelector.prototype.createSampleChanger=function(a){var b={radius:200,isLoading:!1},c=new FlexHCDWidget(b);return"SC3"==a?c=new SC3Widget(b):"RoboDiff"==a&&(c=new RoboDiffWidget(b)),c.render(),c},SampleChangerSelector.prototype.addSampleChanger=function(a){this.sampleChangerPanel.removeAll(),this.sampleChangerPanel.add(a.getPanel()),this.onSampleChangerSelected.notify(a.name)},SampleChangerSelector.prototype.selectRowByBeamlineName=function(a){var b=_.filter(this.beamlines,{name:a})[0].sampleChangerType;this.beamlinesGrid.selectRowByValue(a+" ("+b+")")},SC3Widget.prototype.blink=SampleChangerWidget.prototype.blink,SC3Widget.prototype.getPuckIndexFromAngle=SampleChangerWidget.prototype.getPuckIndexFromAngle,SC3Widget.prototype.createPucks=SampleChangerWidget.prototype.createPucks,SC3Widget.prototype.getPanel=SampleChangerWidget.prototype.getPanel,SC3Widget.prototype.load=SampleChangerWidget.prototype.load,SC3Widget.prototype.getStructure=SampleChangerWidget.prototype.getStructure,SC3Widget.prototype.findPuckById=SampleChangerWidget.prototype.findPuckById,SC3Widget.prototype.getAllPucks=SampleChangerWidget.prototype.getAllPucks,SC3Widget.prototype.render=SampleChangerWidget.prototype.render,SC3Widget.prototype.setClickListeners=SampleChangerWidget.prototype.setClickListeners,SC3Widget.prototype.disablePucksOfDifferentCapacity=SampleChangerWidget.prototype.disablePucksOfDifferentCapacity,SC3Widget.prototype.allowAllPucks=SampleChangerWidget.prototype.allowAllPucks,SC3Widget.prototype.getPuckData=SampleChangerWidget.prototype.getPuckData,SC3Widget.prototype.getAllFilledPucks=SampleChangerWidget.prototype.getAllFilledPucks,SC3Widget.prototype.loadSamples=SampleChangerWidget.prototype.loadSamples,SC3Widget.prototype.emptyAllPucks=SampleChangerWidget.prototype.emptyAllPucks,SC3Widget.prototype.enableAllPucks=SampleChangerWidget.prototype.enableAllPucks,SC3Widget.prototype.disablePuck=SampleChangerWidget.prototype.disablePuck,SC3Widget.prototype.enablePuck=SampleChangerWidget.prototype.enablePuck,SC3Widget.prototype.removeClassToAllPucks=SampleChangerWidget.prototype.removeClassToAllPucks,SC3Widget.prototype.createStructure=function(){for(var a=.9*this.data.radius,b=0;b=a&&a>0?this.id+"-"+a+"-1":null},SpinePuckWidget.prototype.getPanel=PuckWidget.prototype.getPanel,SpinePuckWidget.prototype.load=PuckWidget.prototype.load,SpinePuckWidget.prototype.addCirclePathCells=PuckWidget.prototype.addCirclePathCells,SpinePuckWidget.prototype.focus=PuckWidget.prototype.focus,SpinePuckWidget.prototype.focusWell=PuckWidget.prototype.focusWell,SpinePuckWidget.prototype.render=PuckWidget.prototype.render,SpinePuckWidget.prototype.findCellIndexById=PuckWidget.prototype.findCellIndexById,SpinePuckWidget.prototype.loadSamples=PuckWidget.prototype.loadSamples,SpinePuckWidget.prototype.emptyAll=PuckWidget.prototype.emptyAll,SpinePuckWidget.prototype.disableAllCells=PuckWidget.prototype.disableAllCells,SpinePuckWidget.prototype.allowAllCells=PuckWidget.prototype.allowAllCells,SpinePuckWidget.prototype.blink=PuckWidget.prototype.blink,SpinePuckWidget.prototype.parseData=function(a){var b=10,c=.8,d=3*a.mainRadius/4;return a=this.addCirclePathCells(a,b,c,d)},UniPuckWidget.prototype.getPanel=PuckWidget.prototype.getPanel,UniPuckWidget.prototype.load=PuckWidget.prototype.load,UniPuckWidget.prototype.addCirclePathCells=PuckWidget.prototype.addCirclePathCells,UniPuckWidget.prototype.focus=PuckWidget.prototype.focus,UniPuckWidget.prototype.focusWell=PuckWidget.prototype.focusWell,UniPuckWidget.prototype.render=PuckWidget.prototype.render,UniPuckWidget.prototype.findCellIndexById=PuckWidget.prototype.findCellIndexById,UniPuckWidget.prototype.loadSamples=PuckWidget.prototype.loadSamples,UniPuckWidget.prototype.emptyAll=PuckWidget.prototype.emptyAll,UniPuckWidget.prototype.disableAllCells=PuckWidget.prototype.disableAllCells,UniPuckWidget.prototype.allowAllCells=PuckWidget.prototype.allowAllCells,UniPuckWidget.prototype.blink=PuckWidget.prototype.blink,UniPuckWidget.prototype.parseData=function(a){var b=5,c=.8,d=4*a.mainRadius/11;return a=this.addCirclePathCells(a,b,c,d),b=11,c=.8,d=3*a.mainRadius/4,a=this.addCirclePathCells(a,b,c,d)},XFEScanGrid.prototype.getPanel=function(a){var b=this;return this.store=Ext.create("Ext.data.Store",{fields:["dataCollectionGroup"]}),this.panel=Ext.create("Ext.grid.Panel",{cls:"borderGrid",height:800,store:this.store,disableSelection:!0,columns:this.getColumns(),viewConfig:{enableTextSelection:!0,stripeRows:!0},listeners:{boxready:function(a,c){for(var d in b.plots)new Dygraph(document.getElementById(b.plots[d].containerId),b.plots[d].url,{legend:"never",title:"",height:150,width:400,stackedGraph:!0,labelsDiv:document.getElementById(b.plots[d].labelsContainerId),labelsSeparateLines:!0,labelsDivWidth:100,labelsShowZeroValues:!1,highlightCircleSize:2,strokeWidth:1,strokeBorderWidth:1,highlightSeriesOpts:{strokeWidth:3,strokeBorderWidth:1,highlightCircleSize:5},ylabel:"Count"})}}}),this.panel},XFEScanGrid.prototype._getHTMLZoomImage=function(a,b,c){return'',height:800}]}),this.panel.on("boxready",function(){a.load()}),this.panel},ElectronDensityViewer.prototype.load=function(){var a=this,b="";dust.render("electron.density.viewer.template",a.sample,function(a,c){b+=c}),$(document.body).html(b),init_gui(),this.XV=new XtalViewer("Viewer",null,!0,!0),draw_selection_console(this.XV),this.XV.animate(),getQuery(this.XV)||(this.XV.load_pdb("data/1mru.pdb","1mru"),this.XV.load_dsn6_map("data/1mru.omap","2mFo-Dfc",0),this.XV.animate()),this.XV.enable_leap_motion()},ElectronDensityViewer.prototype.getToolBar=function(){var a=this;return[{xtype:"button",text:"Debugger",handler:function(){a.XV}}]},PuckWidgetView.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{storeId:"samplePanelId",fields:["acronym","state","code","type","name","location","holder","looptype"],data:[]}),this.grid=Ext.create("Ext.grid.Panel",{margin:20,title:"Samples",store:Ext.data.StoreManager.lookup("samplePanelId"),columns:[{text:"Crystal protein acronym",dataIndex:"acronym"},{text:"State",dataIndex:"state"},{text:"Code",dataIndex:"code"},{text:"Container type",dataIndex:"type"},{text:"Name",dataIndex:"name"},{text:"Location",dataIndex:"location"},{text:"Holder",dataIndex:"holder"},{text:"Looptype",dataIndex:"looptype"}],height:200,width:700,listeners:{itemmouseenter:function(b,c,d){a.widget.focus(c.data.location,!0)},itemmouseleave:function(b,c,d){a.widget.focus(c.data.location,!1)}}}),this.panel=Ext.create("Ext.panel.Panel",{layout:"hbox",items:[this.grid,this.widget.getPanel()]}),this.panel},PuckWidgetView.prototype.load=function(a){var b=this;b.panel.setTitle("Test Widget");var c=[],d=["Filled","Collected","Results","Collected"];for(sample in a.sampleVOs)c.push({acronym:a.sampleVOs[sample].crystalVO.proteinVO.acronym,code:a.code,type:a.containerType,name:a.sampleVOs[sample].crystalVO.proteinVO.name,location:a.sampleVOs[sample].location,holder:a.sampleVOs[sample].holderLength,looptype:a.sampleVOs[sample].loopType,state:d[sample]});this.store.loadData(c),this.widget.load(c)},TestMainView.prototype.getPanel=MainView.prototype.getPanel,TestMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:15,border:1,defaults:{labelWidth:80,flex:1},items:[this.testMainPanel.getPanel([])]})},TestMainView.prototype.load=function(a){this.panel.setTitle("Sample");var b=this,c=function(a,c){b.testMainPanel.load(c)};EXI.getDataAdapter({onSuccess:c}).mx.sample.getSamplesByCrystalId(b.crystalId)},function(a){function b(a,b){return a.w('
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    "}, this.widgetContainer ] }); this.panel = Ext.create('Ext.panel.Panel', { // title : 'Load the sample changer', + autoScroll : true, layout : 'hbox', height : this.height, width : this.width, @@ -6060,37 +6274,54 @@ LoadSampleChangerView.prototype.getPanel = function () { }); this.panel.on('boxready', function() { - _this.sampleChangerWidget.setClickListeners(); - _this.sampleChangerWidget.onPuckSelected.attach(function(sender, puck){ - if (_this.selectedContainerId) { - if (_this.selectedPuck) { - if (_this.selectedPuck == puck) { + _this.reloadSampleChangerWidget(); + $("#" + _this.id + "-unloadSC-button").unbind('click').click(function(sender){ + var containerIds = _.map(_.map(_this.sampleChangerWidget.getAllFilledPucks(),"puckWidget"),"containerId"); + if (containerIds.length > 0){ + var onSuccess = function (sender,c) { _this.returnToSelectionStatus(); - } else { - _this.loadSampleChangerPuck(puck, _this.selectedContainerId); + _this.load(); } + EXI.getDataAdapter({onSuccess:onSuccess}).proposal.dewar.emptySampleLocation(containerIds); + } + }); + }); + + return this.panel; +}; + +LoadSampleChangerView.prototype.reloadSampleChangerWidget = function () { + var _this = this; + this.sampleChangerWidget.setClickListeners(); + this.sampleChangerWidget.onPuckSelected.attach(function(sender, puck){ + if (_this.selectedContainerId) { + if (_this.selectedPuck) { + if (_this.selectedPuck == puck) { + _this.returnToSelectionStatus(); } else { _this.loadSampleChangerPuck(puck, _this.selectedContainerId); } } else { - if (_this.selectedPuck) { - if (_this.selectedPuck == puck) { - _this.returnToSelectionStatus(); - } else { - _this.deselectRow(); - _this.deselectPuck(); - _this.setSelectedPuck(puck); - } + _this.loadSampleChangerPuck(puck, _this.selectedContainerId); + } + } else { + if (_this.selectedPuck) { + if (_this.selectedPuck == puck) { + _this.returnToSelectionStatus(); } else { + _this.deselectRow(); + _this.deselectPuck(); _this.setSelectedPuck(puck); } + } else { + _this.setSelectedPuck(puck); } - }); - _this.sampleChangerWidget.render(); + } }); - - return this.panel; -}; + this.sampleChangerWidget.render(); + $("#" + this.id + "-scw-label").html(this.sampleChangerWidget.beamlineName + " (" + this.sampleChangerWidget.name + ")"); + this.panel.doLayout(); +} /** * Cleans and removes the previewPanelView @@ -6100,8 +6331,10 @@ LoadSampleChangerView.prototype.getPanel = function () { */ LoadSampleChangerView.prototype.cleanPreviewPanel = function () { this.previewPanelView.clean(); - if(this.previewPanelView.panel.body){ - this.verticalPanel.remove(this.previewPanelView.panel); + if (this.previewPanelView.panel){ + if(this.previewPanelView.panel.body){ + this.verticalPanel.remove(this.previewPanelView.panel); + } } }; @@ -6140,13 +6373,12 @@ function PrepareMainView(args) { } } - this.steps = ["","/selectSampleChanger","/loadSampleChanger"]; + this.steps = ["","/loadSampleChanger"]; this.height = 550; this.width = 1300; this.dewarListSelector = new DewarListSelectorGrid({height : this.height - 12, width : this.width - 60}); - this.sampleChangerSelector = new SampleChangerSelector({height : this.height - 12, width : this.width - 0}); this.loadSampleChangerView = new LoadSampleChangerView({height : this.height - 12, width : this.width - 0}); this.confirmShipmentView = new ConfirmShipmentView(); @@ -6170,25 +6402,6 @@ function PrepareMainView(args) { this.selectedPuck = null; this.sampleChangerName = null; - this.sampleChangerSelector.onRowSelected.attach(function(sender,beamline){ - if (beamline) { - _this.save("selectedBeamline", beamline); - } else { - _this.removeFromStorage("selectedBeamline"); - } - }); - - this.sampleChangerSelector.onSampleChangerSelected.attach(function(sender,changerName){ - Ext.getCmp("next-button").enable(); - $('#step-3').attr("disabled", false); - _this.sampleChangerName = changerName; - _this.save('sampleChangerName', changerName); - if (typeof(Storage) != "undefined") { - sessionStorage.removeItem('puckData'); - } - _this.loadSampleChangerView.sampleChangerName = changerName; - }); - }; @@ -6226,18 +6439,9 @@ PrepareMainView.prototype.manageButtons = function () { Ext.getCmp("next-button").enable(); } else { Ext.getCmp("previous-button").show(); - } - if (this.currentStep == 2) { - Ext.getCmp("next-button").disable(); - } - if (this.currentStep < 3) { - Ext.getCmp("next-button").show(); - $('#done-button').hide(); - } - if (this.currentStep == 3) { Ext.getCmp("next-button").hide(); } - for (var i = 1 ; i <= 3 ; i++){ + for (var i = 1 ; i <= 2 ; i++){ if (i == this.currentStep) { $('#step-' + i).addClass('active-step'); } else { @@ -6258,25 +6462,6 @@ PrepareMainView.prototype.changeStep = function (direction) { location.href = "#/mx/prepare/main" + this.steps[this.currentStep-1]; }; -/** -* Manages the disable state of the step buttons -* -* @method manageStepButtons -* @return -*/ -// PrepareMainView.prototype.manageStepButtons = function () { -// if (this.loadSampleChangerView.sampleChangerName == "") { -// $('#step-3').attr("disabled", true); -// } else { -// $('#step-3').attr("disabled", false); -// } -// for (var i = 1 ; i <= 4 ; i++){ -// if (i == this.currentStep){ -// $('#step-' + i).addClass('active-step'); -// } -// } -// }; - /** * Loads a Ext.panel.panel constaining a Ext.panel.Panel that will render the steps inside and sets the click events for the buttons * @@ -6299,6 +6484,7 @@ PrepareMainView.prototype.getPanel = function() { ); this.panel = Ext.create('Ext.panel.Panel', { + autoScroll : true, buttons : this.getButtons(), layout: { type: 'vbox', @@ -6308,22 +6494,11 @@ PrepareMainView.prototype.getPanel = function() { height : this.height + 200, // cls : 'border-grid', items : [ - this.getToolBar(), this.container, - // this.getButtons() + this.getToolBar(), this.container ] }); this.panel.on('boxready', function() { - // $('#next-button').unbind('click').click(function (sender){ - // if (_this.currentStep < 4) { - // _this.changeStep(1); - // } - // }); - // $('#previous-button').unbind('click').click(function (sender){ - // if (_this.currentStep > 0) { - // _this.changeStep(-1); - // } - // }); _this.manageButtons(); }); @@ -6418,36 +6593,30 @@ PrepareMainView.prototype.load = function() { }; EXI.getDataAdapter({onSuccess : onSuccessProposal, onError:onError}).proposal.dewar.getDewarsByProposal(); - } else if (this.currentStep == 2){ - this.container.add(this.sampleChangerSelector.getPanel()); - this.sampleChangerSelector.panel.setLoading(); - - var onSuccessProposal = function(sender, containers) { + } else if (this.currentStep == 2) { + var onSuccessProposal = function(sender, containers) { _this.containers = containers; - var beamlinesSelected = _.uniq(_.map(_.filter(_this.containers, function(e){return e.shippingStatus == "processing";}),'beamlineName')); - - if (beamlinesSelected.length > 1) { - $.notify("Warning: Multiple beamlines selected", "warn"); - } else if (beamlinesSelected.length == 1) { - if (EXI.credentialManager.getBeamlineNames().indexOf(beamlinesSelected[0]) >= 0){ - _this.sampleChangerSelector.selectRowByBeamlineName(beamlinesSelected[0]); + var beamlinesSelected = _.uniq(_.map(_.filter(_this.containers, function(e){return e.shippingStatus == "processing";}),'beamlineLocation')); + if (beamlinesSelected.length > 0) { + var beamline = _.filter(EXI.credentialManager.getBeamlinesByTechnique("MX"),{"name":beamlinesSelected[0]}); + if (beamline.length > 0) { + _this.loadSampleChangerView.createSampleChangerWidget(beamline[0].sampleChangerType,beamline[0].name); } else { - $.notify("Warning: Unknown beamline", "warn"); + $.notify("Warning: Unknown beamline " + beamlinesSelected[0], "warn"); + _this.loadSampleChangerView.createSampleChangerWidget("FlexHCD",beamlinesSelected[0]); + } + for (var i = 1 ; i < beamlinesSelected.length ; i++){ + var beamline = _.filter(EXI.credentialManager.getBeamlinesByTechnique("MX"),{"name":beamlinesSelected[i]}); + if (beamline.length == 0) { + $.notify("Warning: Unknown beamline " + beamlinesSelected[i], "warn"); + } } } - - _this.sampleChangerSelector.panel.setLoading(false); - }; - - var onError = function(sender, error) { - EXI.setError("Ops, there was an error"); - _this.sampleChangerSelector.panel.setLoading(false); + _this.container.add(_this.loadSampleChangerView.getPanel()); + _this.loadSampleChangerView.load(); }; - EXI.getDataAdapter({onSuccess : onSuccessProposal, onError:onError}).proposal.dewar.getDewarsByProposal(); - } else if (this.currentStep == 3) { - this.container.add(this.loadSampleChangerView.getPanel()); - this.loadSampleChangerView.load(); + EXI.getDataAdapter({onSuccess : onSuccessProposal}).proposal.dewar.getDewarsByProposal(); } }; @@ -6516,7 +6685,7 @@ function PreviewPanelView (args) { enableMouseOver : true }; - this.onEmptyButtonClicked = new Event(this); + this.onUnloadButtonClicked = new Event(this); }; /** @@ -6546,14 +6715,16 @@ PreviewPanelView.prototype.getPanel = function () { }, listeners: { click: function(button) { - if (button.text == "EMPTY") { - _this.onEmptyButtonClicked.notify(); + if (button.text != null){ + if (button.text.split(" ")[0] == "Unload") { + _this.onUnloadButtonClicked.notify(); + } } } } }); - var infoContainer = Ext.create('Ext.panel.Panel', { + this.infoContainer = Ext.create('Ext.panel.Panel', { layout : 'vbox', width : this.width/2, height : this.height, @@ -6572,7 +6743,7 @@ PreviewPanelView.prototype.getPanel = function () { layout : 'hbox', width : this.width, height : this.height, - items : [infoContainer, this.previewPanel ] + items : [this.infoContainer, this.previewPanel ] }); return this.panel; @@ -6599,7 +6770,6 @@ PreviewPanelView.prototype.load = function (containerId, capacity, data, instruc html : html, margin : 6 }); - this.instructionsButton.setText(instructionsButtonText); this.puckData.containerId = containerId; if (capacity == 10){ @@ -6630,9 +6800,11 @@ PreviewPanelView.prototype.load = function (containerId, capacity, data, instruc * @return */ PreviewPanelView.prototype.clean = function () { - this.previewPanel.removeAll(); - this.infoPanel.removeAll(); - this.instructionsButton.setText(""); + if (this.previewPanel){ + this.previewPanel.removeAll(); + this.infoPanel.removeAll(); + this.instructionsButton.setText(""); + } }; function WorkflowStepMainView() { this.icon = 'images/icon/ic_satellite_black_18dp.png'; @@ -7455,7 +7627,7 @@ function CurvePlotter(args) { this.backgroundColor = "#FFFFFF"; - this.margin = '0 0 0 5'; + this.margin = 10; this.ruleColor = "black"; this.targetId = "plotCanvas" + BUI.id(); this.legend = 'onmouseover'; @@ -7470,6 +7642,7 @@ function CurvePlotter(args) { if (args.targetId != null) { this.targetId = args.targetId; } + } this.onRendered = new Event(this); @@ -7478,11 +7651,8 @@ function CurvePlotter(args) { } CurvePlotter.prototype.getPanel = function() { - this.plotPanel = Ext.create('Ext.container.Container', { - layout: { - type: 'hbox' - }, - flex: 0.7, + this.plotPanel = Ext.create('Ext.container.Container', { + flex: 1, margin: this.margin, items: [{ html: '
    ', @@ -7913,6 +8083,7 @@ function SampleChangerWidget (args) { this.name = ''; this.onPuckSelected = new Event(this); this.sampleChangerCapacity = 0; //This is set in each sample changer type + this.beamlineName = ""; this.data = {}; if (args) { @@ -7922,16 +8093,23 @@ function SampleChangerWidget (args) { if (args.isLoading != null){ this.isLoading = args.isLoading; } + if (args.beamlineName){ + this.beamlineName = args.beamlineName; + } } }; /** * It blinks the sample changer by fading IN and OUT * -* @method blink` +* @method blink */ SampleChangerWidget.prototype.blink = function () { - $('#' + this.id).fadeIn().fadeOut().fadeIn().fadeOut().fadeIn(); + $('#' + this.id).fadeIn().fadeOut().fadeIn(); + var allPucks = this.getAllPucks(); + for (var i = 0 ; i < allPucks.length ; i++) { + allPucks[i].blink(); + } } /** @@ -8291,8 +8469,8 @@ function FlexHCDWidget (args) { }; this.createStructure(); - this.createPucks("Unipuck", this.data.cells/2, -7*Math.PI/8, this.data.radius/2, 0.5, {dAlpha : Math.PI/16, dist : 3*this.data.radius/4}); - this.createPucks("Spinepuck", this.data.cells/2, -5*Math.PI/8, this.data.radius/2, 0.5, {dAlpha : Math.PI/16, dist : 3*this.data.radius/4}); + this.createPucks("Spinepuck", this.data.cells/2, -7*Math.PI/8, this.data.radius/2, 0.5, {dAlpha : Math.PI/16, dist : 3*this.data.radius/4}); + this.createPucks("Unipuck", this.data.cells/2, -5*Math.PI/8, this.data.radius/2, 0.5, {dAlpha : Math.PI/16, dist : 3*this.data.radius/4}); }; @@ -8396,6 +8574,56 @@ FlexHCDWidget.prototype.convertSampleChangerLocationToId = function (sampleChang return null; } }; +function PuckLegend(args){ + this.id = BUI.id(); + this.width = 200; + this.height = 10; + var cy = "30.5%"; + var tOffset = 8; + + if (args) { + if (args.width) { + this.width = args.width; + } + if (args.height) { + this.height = args.height; + } + if (args.cy) { + cy = args.cy; + } + if (args.tOffset) { + tOffset = args.tOffset; + } + } + var fontSize = "0.55vw"; + var rad = "7%"; + var circles = []; + circles.push({cx : "7%", cy : cy, r : rad, cls : "cell_empty", text : "EMPTY"}); + circles.push({cx : "27%", cy : cy, r : rad, cls : "cell_collected", text : "COLLECTED"}); + circles.push({cx : "47%", cy : cy, r : rad, cls : "cell_filled", text : "FILLED"}); + circles.push({cx : "67%", cy : cy, r : rad, cls : "cell_selected", text : "SELECTED"}); + + this.data = { + id : this.id, + circles : circles, + tOffset : tOffset, + fontSize : fontSize + }; +} + +PuckLegend.prototype.getPanel = function () { + var html = ""; + dust.render("puck.legend.template", this.data, function(err, out){ + html = out; + }); + + return { + html : html, + width : this.width, + height : this.height + }; +}; + /** * Abstract class for creating a puck widget * @@ -8410,11 +8638,12 @@ function PuckWidget(args){ this.containerId = 0; this.containerCode = ""; this.enableMouseOver = false; - this.enableClick = false; + this.enableClick = false; //click on cells + this.enableMainClick = false; //click on the puck + this.enableMainMouseOver = false; //mouse over on the puck this.initSelected = {}; this.isLoading = true; this.capacity = 10; - this.isUnipuck = false; this.isEmpty = true; @@ -8440,6 +8669,12 @@ function PuckWidget(args){ if (args.enableClick != null){ this.enableClick = args.enableClick; } + if (args.enableMainClick != null){ + this.enableMainClick = args.enableMainClick; + } + if (args.enableMainMouseOver != null){ + this.enableMainMouseOver = args.enableMainMouseOver; + } if (args.initSelected){ this.initSelected = args.initSelected; } @@ -8461,6 +8696,7 @@ function PuckWidget(args){ containerId : this.containerId, containerCode : this.containerCode, enableClick : this.enableClick, + enableMainClick : this.enableMainClick, enableMouseOver : this.enableMouseOver, dataCollectionIds : this.dataCollectionIds, isLoading : this.isLoading @@ -8508,7 +8744,11 @@ PuckWidget.prototype.getPanel = function () { html = out; }); - return html; + return { + html : html, + width : 2*this.data.mainRadius + 1, + height : 2*this.data.mainRadius + 1 + }; }; /** @@ -8539,7 +8779,7 @@ PuckWidget.prototype.loadSamples = function (samples, selectedLocation) { var sample = samples[i]; var dataCollectionIds = this.dataCollectionIds[sample.BLSample_location]; var state = "FILLED"; - if (dataCollectionIds != null && dataCollectionIds.length > 0){ + if ((dataCollectionIds != null && dataCollectionIds.length > 0 || sample.DataCollectionGroup_dataCollectionGroupId != null)){ state = "COLLECTED"; } var selected = false; @@ -8613,24 +8853,27 @@ PuckWidget.prototype.load = function (data) { var cellIndex = _this.findCellIndexById(sender.target.id); _this.onMouseOver.notify(sender.target.id.split("-")[1]); - _this.focus(sender.target.id.split("-")[1],true); + _this.focusWell(sender.target.id.split("-")[1],true); // TOOLTIP - if (_this.data.cells[cellIndex].sample_name){ - + if (_this.data.cells[cellIndex].protein_acronym){ + var tooltipData = [{key : "Protein acronym", value : _this.data.cells[cellIndex].protein_acronym}]; + if (_this.data.cells[cellIndex].sample_name) { + tooltipData.push({key : "Sample", value : _this.data.cells[cellIndex].sample_name}); + } var tooltipHtml = ""; - dust.render("plates.tooltip.mxdatacollectiongrid.template", _this.data.cells[cellIndex], function(err, out) { + dust.render("tooltip.template", tooltipData, function(err, out) { tooltipHtml = out; }); $('body').append(tooltipHtml); $('#hoveringTooltipDiv').css({ - "top" : $(this).offset().top - 3*_this.data.cells[i].radius, - "left" : $(this).offset().left + 1.5*_this.data.cells[i].radius + "top" : $(this).offset().top - 3*_this.data.cells[cellIndex].radius, + "left" : $(this).offset().left + 1.5*_this.data.cells[cellIndex].radius }); if (_this.data.cells[cellIndex].y - _this.data.mainRadius < 0) { $('#hoveringTooltipDiv').css({ - "top" : $(this).offset().top + 2*_this.data.cells[i].radius, - "left" : $(this).offset().left + _this.data.cells[i].radius + "top" : $(this).offset().top + 2*_this.data.cells[cellIndex].radius, + "left" : $(this).offset().left + _this.data.cells[cellIndex].radius }); } } @@ -8639,7 +8882,7 @@ PuckWidget.prototype.load = function (data) { $("#" + currentId).unbind('mouseout').mouseout(function(sender){ _this.onMouseOut.notify(); - _this.focus(sender.target.id.split("-")[1],false); + _this.focusWell(sender.target.id.split("-")[1],false); // TOOLTIP $('#hoveringTooltipDiv').remove(); @@ -8662,13 +8905,27 @@ PuckWidget.prototype.load = function (data) { }; /** -* Focus or unfocus one cell according to a boolean and its location +* focus or unfocus the puck * * @method focus +* @param {Boolean} bool Whether or not to focus the cell +*/ +PuckWidget.prototype.focus = function (bool) { + if (bool){ + $("#" + this.id).addClass("puck-selected"); + } else { + $("#" + this.id).removeClass("puck-selected"); + } +}; + +/** +* focus or unfocus one cell according to a boolean and its location +* +* @method focusWell * @param {Integer} location The location of the cell on the puck * @param {Boolean} bool Whether or not to focus the cell */ -PuckWidget.prototype.focus = function (location, bool) { +PuckWidget.prototype.focusWell = function (location, bool) { if (bool){ $("#" + this.id + "-" + location).attr("class", "cell_focus"); $("#" + this.id + "-" + location + "-inner").attr("class", "cell_inner_hidden"); @@ -8758,19 +9015,32 @@ PuckWidget.prototype.allowAllCells = function () { $("#" + cell.id).removeClass("cell-disabled"); } }; + +/** +* It blinks the sample changer by fading IN and OUT +* +* @method blink` +*/ +PuckWidget.prototype.blink = function () { + $('#' + this.id + "-div").fadeIn().fadeOut().fadeIn(); +} function PuckWidgetContainer(args) { var _this = this; + this.onClick = new Event(this); this.mouseOverCell = new Event(this); this.mouseOutCell = new Event(this); + this.onMouseOver = new Event(this); + this.onMouseOut = new Event(this); this.xMargin = 0; this.yMargin = 0; + this.containerId = 0; + this.enableMainClick = false; + this.enableMainMouseOver = false; + this.code = ""; if (args){ if (args.puckType) { - if (args.puckType == "UniPuck" || args.puckType == "SpinePuck") { - debugger - } switch (args.puckType) { case "Unipuck": this.puckWidget = new UniPuckWidget(args); @@ -8782,14 +9052,23 @@ function PuckWidgetContainer(args) { break; } } + if (args.code){ + this.code = args.code; + } + if (args.containerId){ + this.containerId = args.containerId; + } if (args.xMargin){ this.xMargin = args.xMargin; } if (args.yMargin){ this.yMargin = args.yMargin; } - if (args.x) { - debugger + if (args.enableMainClick != null){ + this.enableMainClick = args.enableMainClick; + } + if (args.enableMainMouseOver != null){ + this.enableMainMouseOver = args.enableMainMouseOver; } } @@ -8797,9 +9076,8 @@ function PuckWidgetContainer(args) { this.puckWidget = new SpinePuckWidget(args); } - this.puckWidget.onClick.attach(function(sender, cell){ - - + this.puckWidget.onClick.attach(function(sender, id){ + _this.onClick.notify(id); }); this.puckWidget.onMouseOver.attach(function(sender, location){ @@ -8827,14 +9105,27 @@ PuckWidgetContainer.prototype.getPanel = function () { bodyStyle: 'background:transparent;', items : [ - { - html : this.puckWidget.getPanel(), - width : 2*this.puckWidget.data.mainRadius + 1, - height : 2*this.puckWidget.data.mainRadius + 1 - } + this.puckWidget.getPanel() ], }); + + this.panel.on('boxready', function() { + if(_this.enableMainClick) { + $("#" + this.id).unbind('click').click(function(sender){ + _this.onClick.notify(sender.target.id); + }); + } + if(_this.enableMainMouseOver) { + $("#" + this.id).unbind('mouseover').mouseover(function(sender){ + _this.onMouseOver.notify(_this.puckWidget); + }); + + $("#" + this.id).unbind('mouseout').mouseout(function(sender){ + _this.onMouseOut.notify(_this.puckWidget); + }); + } + }); return this.panel; @@ -8845,15 +9136,26 @@ PuckWidgetContainer.prototype.load = function (data) { } PuckWidgetContainer.prototype.loadSamples = function (samples) { - this.puckWidget.loadSamples(samples); + if (samples){ + if (samples.length > 0){ + this.containerId = samples[0].Container_containerId; + this.puckWidget.loadSamples(samples); + } + } } PuckWidgetContainer.prototype.focus = function (location, bool) { this.puckWidget.focus(location, bool); } - - +/** +* It blinks the sample changer by fading IN and OUT +* +* @method blink` +*/ +PuckWidgetContainer.prototype.blink = function () { + this.puckWidget.blink(); +} /** * This class extends the SampleChangerWidget class for a RoboDiffWidget * @@ -9243,12 +9545,14 @@ SpinePuckWidget.prototype.getPanel = PuckWidget.prototype.getPanel; SpinePuckWidget.prototype.load = PuckWidget.prototype.load; SpinePuckWidget.prototype.addCirclePathCells = PuckWidget.prototype.addCirclePathCells; SpinePuckWidget.prototype.focus = PuckWidget.prototype.focus; +SpinePuckWidget.prototype.focusWell = PuckWidget.prototype.focusWell; SpinePuckWidget.prototype.render = PuckWidget.prototype.render; SpinePuckWidget.prototype.findCellIndexById = PuckWidget.prototype.findCellIndexById; SpinePuckWidget.prototype.loadSamples = PuckWidget.prototype.loadSamples; SpinePuckWidget.prototype.emptyAll = PuckWidget.prototype.emptyAll; SpinePuckWidget.prototype.disableAllCells = PuckWidget.prototype.disableAllCells; SpinePuckWidget.prototype.allowAllCells = PuckWidget.prototype.allowAllCells; +SpinePuckWidget.prototype.blink = PuckWidget.prototype.blink; /** * Parses the data @@ -9286,12 +9590,14 @@ UniPuckWidget.prototype.getPanel = PuckWidget.prototype.getPanel; UniPuckWidget.prototype.load = PuckWidget.prototype.load; UniPuckWidget.prototype.addCirclePathCells = PuckWidget.prototype.addCirclePathCells; UniPuckWidget.prototype.focus = PuckWidget.prototype.focus; +UniPuckWidget.prototype.focusWell = PuckWidget.prototype.focusWell; UniPuckWidget.prototype.render = PuckWidget.prototype.render; UniPuckWidget.prototype.findCellIndexById = PuckWidget.prototype.findCellIndexById; UniPuckWidget.prototype.loadSamples = PuckWidget.prototype.loadSamples; UniPuckWidget.prototype.emptyAll = PuckWidget.prototype.emptyAll; UniPuckWidget.prototype.disableAllCells = PuckWidget.prototype.disableAllCells; UniPuckWidget.prototype.allowAllCells = PuckWidget.prototype.allowAllCells; +UniPuckWidget.prototype.blink = PuckWidget.prototype.blink; /** * Parses the data diff --git a/min/exi.saxs.js b/min/exi.saxs.js index 585948a81..da561f77f 100644 --- a/min/exi.saxs.js +++ b/min/exi.saxs.js @@ -108,6 +108,7 @@ SAXSExiController.prototype.routeExperiment = function() { mainView.panel.setLoading(false); }; EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByExperiment(this.params['experimentId']); + // EXI.getDataAdapter({onSuccess : onSuccess}).saxs.experiment.getExperimentById(this.params['experimentId']); }).enter(this.setPageBackground); @@ -229,13 +230,18 @@ SAXSExiController.prototype.routeDataCollection = function() { EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByKey(this.params['key'], this.params['value']); }).enter(this.setPageBackground); - Path.map("#/saxs/datacollection/:key/:value/primaryviewer").to(function() { - var onSuccess = function(sender, data) { - var primaryMainView = new PrimaryDataMainView(); - EXI.addMainPanel(primaryMainView); - primaryMainView.load(data); - }; - EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByKey(this.params['key'], this.params['value']); + Path.map("#/saxs/datacollection/dataCollectionId/:dataCollectionId/primaryviewer").to(function() { + var primaryMainView = new PrimaryDataMainView(); + EXI.addMainPanel(primaryMainView); + primaryMainView.load(this.params['dataCollectionId']); + + }).enter(this.setPageBackground); + + Path.map("#/saxs/datacollection/dataCollectionId/:dataCollectionId/abinitio").to(function() { + var primaryMainView = new AbinitioMainView(); + EXI.addMainPanel(primaryMainView); + primaryMainView.load(this.params['dataCollectionId']); + }).enter(this.setPageBackground); Path.map("#/saxs/datacollection/:key/:value/merge").to(function() { @@ -340,9 +346,9 @@ SAXSExiController.prototype.init = function() { /** Loading a single session on the navigation panel * */ - Path.map("#/session/nav/:sessionId/session").to(function() { - + Path.map("#/session/nav/:sessionId/session").to(function() { EXI.clearNavigationPanel(); + EXI.setLoadingMainPanel(true); var listView = new SessionSaxsListView(); /** When selected move to hash * */ listView.onSelect.attach(function(sender, selected) { @@ -458,10 +464,8 @@ SAXSMainMenu.prototype.getHomeItem = MainMenu.prototype.getHomeItem; SAXSMainMenu.prototype.getShipmentItem = MainMenu.prototype.getShipmentItem; -SAXSMainMenu.prototype.getMenuItems = function() { - - - +SAXSMainMenu.prototype.getMenuItems = function() { + return [ this.getHomeItem(), this.getShipmentItem(), @@ -469,6 +473,7 @@ SAXSMainMenu.prototype.getMenuItems = function() { text : this._convertToHTMLWhiteSpan("Prepare Experiment"), cls : 'ExiSAXSMenuToolBar', hidden : this.isHidden, + disabled : true, menu : this.getPreparationMenu() }, { text : this._convertToHTMLWhiteSpan("Data Explorer"), @@ -933,6 +938,37 @@ TemplateListView.prototype.getFields = function(){ }; +function AbinitioMainView() { + MainView.call(this); + + /** Abinitio **/ + this.abinitioForm = new AbinitioForm({ + height : 700 + }); +} + + +AbinitioMainView.prototype.getPanel = function() { + return this.abinitioForm.getPanel() +}; + +AbinitioMainView.prototype.load = function(dataCollectionId) { + var _this = this; + + var onSuccess = function (sender, dataCollections) { + if (dataCollections){ + if (dataCollections[0].Subtraction_subtractionId){ + var onSuccessSubtraction = function(sender, subtractions) { + _this.abinitioForm.load(subtractions); + }; + EXI.getDataAdapter({onSuccess : onSuccessSubtraction}).saxs.subtraction.getSubtractionsBySubtractionIdList([dataCollections[0].Subtraction_subtractionId]); + } + } + } + EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsById(dataCollectionId); +}; + + function BufferMainView() { this.icon = 'images/icon/ic_satellite_black_18dp.png'; @@ -1264,16 +1300,7 @@ function ExperimentMainView() { } ] }); - // Create the combo box, attached to the states data store - // var viscosityEditor = Ext.create('Ext.form.ComboBox', { - // fieldLabel : '', - // store : storeViscosity, - // queryMode : 'local', - // displayField : 'name', - // valueField : 'name' - // }); - - + /** Specimen Widget contains a specimenGrid and a sampleChangerWidget than can be displayed with are vertical or horizontal layout **/ this.specimenWidget = new SpecimenWidget({ height : this.height, @@ -1284,14 +1311,13 @@ function ExperimentMainView() { this.queueGrid = new OverviewQueueGrid({ positionColumnsHidden : true, -// maxHeight : Ext.getCmp("main_panel").getHeight() - 50, + sorters : [ { property : 'macromoleculeAcronym', direction : 'ASC' } ] }); - - this.queueGridVersion2 = new QueueGridTest(); + this.activePanel = this.queueGrid; @@ -1313,12 +1339,8 @@ ExperimentMainView.prototype.getToolBar = function() { handler: function(){ onMenuClicked(_this.queueGrid); } - },{ - text: 'Online Data Analysis (v2)', - handler: function(){ - onMenuClicked(_this.queueGridVersion2); - } - },{ + }, + ,{ text: 'Measurements', handler: function(){ onMenuClicked(_this.measurementGrid); @@ -1361,6 +1383,7 @@ ExperimentMainView.prototype.load = function(dataCollections) { this.panel.insert(this.activePanel.getPanel()); this.activePanel.load(dataCollections); }; + function ExperimentWelcomeMainView() { this.icon = '../images/icon/rsz_ic_home_black_24dp.png'; @@ -1441,13 +1464,8 @@ function HPLCMainView() { MainView.call(this); - this.grid = new QueueGrid({ - collapsed : true, - positionColumnsHidden : true, - maxHeight : Ext.getCmp("main_panel").getHeight() - 50, - sorters : [ { - property : 'macromoleculeAcronym', - direction : 'ASC' } ] }); + this.grid = new OverviewQueueGrid({ + height : 220 }); this.grid.onSelectionChange.attach(function(sender, elements) { _this.onSelectionChange.notify(elements); @@ -1466,20 +1484,20 @@ function HPLCMainView() { _this.selectedFrameNumber = []; this.hplcGraph = new HPLCGraph({ title : 'I0', - width : 800, - height : 350, + width : 300, + height : 300, bbar : true, plots : { "I0" : true, "Rg" : true }, - xlabel : "HPLC Frames", + xlabel : "Frames", scaled : true, interactionModel : { 'dblclick' : function(event, g, context) { - _this.selectedFrameNumber.push(g.lastx_); + //_this.selectedFrameNumber.push(g.lastx_); + _this.selectedFrameNumber = [g.lastx_]; _this.plotter.loadHPLCFrame(_this.experimentId, _this.selectedFrameNumber); - - _this.annotations.push({ + /*_this.annotations.push({ series : g.selPoints_[0].name, x : g.lastx_, width : 30, @@ -1487,10 +1505,43 @@ function HPLCMainView() { tickHeight : 2, shortText : g.lastx_, text : g.lastx_, - attachAtBottom : true }); + attachAtBottom : true });*/ + _this.annotations= [({ + series : g.selPoints_[0].name, + x : g.lastx_, + width : 30, + height : 23, + tickHeight : 2, + shortText : g.lastx_, + text : g.lastx_, + attachAtBottom : true })]; g.setAnnotations(_this.annotations); - - } } }); + + /** Summary Panel */ + var summary = { + frame : _this.selectedFrameNumber, + quality : _.find(_this.hplcGraph.hplcData, {param : 'quality'}).data[_this.selectedFrameNumber], + Qr : _.find(_this.hplcGraph.hplcData, {param : 'Qr'}).data[_this.selectedFrameNumber], + Vc : _.find(_this.hplcGraph.hplcData, {param : 'Vc'}).data[_this.selectedFrameNumber], + Mass : _.find(_this.hplcGraph.hplcData, {param : 'Mass'}).data[_this.selectedFrameNumber], + Rg : _.find(_this.hplcGraph.hplcData, {param : 'Rg'}).data[_this.selectedFrameNumber], + I0 : _.find(_this.hplcGraph.hplcData, {param : 'I0'}).data[_this.selectedFrameNumber], + downloadURL : EXI.getDataAdapter().saxs.hplc.getDownloadHDF5FramesURL(_this.experimentId, _this.selectedFrameNumber, _this.selectedFrameNumber) + } + + + + + var html = ""; + dust.render("summary.hplcmainview.template", [summary], function(err, out) { + + html = html + out; + }); + $('#' + _this.id + "summary").html(html); + + } + } + }); this.hplcGraph.onClearSelection.attach(function(sender) { _this.annotations = []; @@ -1499,7 +1550,9 @@ function HPLCMainView() { }); this.plotter = new CurvePlotter({ - margin : '10 0 0 0' }); + margin : 10, + width : 300 + }); this.onSelect = new Event(this); this.onDeselect = new Event(this); @@ -1513,21 +1566,66 @@ HPLCMainView.prototype.getHeader = function(beamlineName, startDate) { }; HPLCMainView.prototype.getPlotContainer = function() { - return { - xtype : 'container', - cls : 'defaultGridPanel', - border : 0, - defaults : { - height : 450 }, - items : [ this.hplcGraph.getPanel(), this.plotter.getPanel() + return { + xtype : 'container', + cls : 'defaultGridPanel', + layout : 'hbox', + border : 1, + defaults : {height : 400 }, + items : [ this.hplcGraph.getPanel(), this.plotter.getPanel() ] }; }; -HPLCMainView.prototype.getContainer = function() { +HPLCMainView.prototype.getSecondaryContainer = function() { + return { + xtype : 'container', + cls : 'defaultGridPanel', + layout : 'hbox', + border : 0, + defaults : {height : 400 }, + items : [ + { + html : '', + margin : 10, + flex : 1 + }, + { + html : '
    ', + margin : 10, + flex : 1 + } + + ] }; +}; + +HPLCMainView.prototype.getContainer = function() { + return { xtype : 'container', - items : [ this.grid.getPanel(), this.getPlotContainer() ] }; + margin : 10, + items : [ + + { + html : '
    ', + margin : 10 , + height : 160 + }, + { + html : '
    Data Collection
    ', + margin : 10 , + height : 40 + }, + + this.grid.getPanel(), + { + html : '
    Size-exclusion chromatography
    ', + margin : 10 , + height : 40 + }, + this.getPlotContainer(), + this.getSecondaryContainer() + ] }; }; HPLCMainView.prototype.getSelected = function() { @@ -1582,8 +1680,8 @@ HPLCMainView.prototype.loadHPLCGraph = function(experimentId) { color : "#FF00FF", data : data.quality, std : zeroArray } ]; - _this.hplcGraph.loadData(data); - + _this.hplcGraph.loadData(data, experimentId); + }; EXI.getDataAdapter({onSuccess : onSuccess}).saxs.hplc.getHPLCOverviewByExperimentId(experimentId); @@ -1592,15 +1690,32 @@ HPLCMainView.prototype.loadHPLCGraph = function(experimentId) { HPLCMainView.prototype.load = function(experimentId) { var _this = this; this.experimentId = experimentId; - - this.grid.panel.setLoading(); - - var onSuccess = function(sender, data) { - _this.grid.load(data); - _this.grid.panel.setLoading(false); + + var onSuccess = function(sender, data) { + if (data){ + _this.grid.load(data); + if (data[0]){ + var header = { + creationDate : data[0].Experiment_creationDate, + name : data[0].Experiment_name, + type : data[0].Experiment_experimentType, + hdf5 : data[0].Experiment_dataAcquisitionFilePath, + url : EXI.getDataAdapter().saxs.hplc.getDownloadHDF5URL(data[0].Experiment_experimentId) + } + + /** Renedering header */ + var html = ""; + + dust.render("header.hplcmainview.template", header, function(err, out) { + + html = html + out; + }); + $('#' + _this.id + "header").html(html); + } + } }; - EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByExperimentId(experimentId); + EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByExperiment(experimentId); this.loadHPLCGraph(experimentId); }; @@ -2125,9 +2240,9 @@ function PrimaryDataMainView() { this.onMeasurementSelectionChange = new Event(this); var _this = this; - - this.frameSelectorGrid = new FrameSelectorGrid(); - this.frameSelectorGrid.onSelectionChange.attach(function(sender, selections){ + + this.framesGrid = new FramesGrid(); + this.framesGrid.onSelectionChange.attach(function(sender, selections){ _this.plotter.load(selections); }); @@ -2135,17 +2250,10 @@ function PrimaryDataMainView() { this.plotter = new CurvePlotter({ }); - this.grid = new OverviewQueueGrid({height : 220}); - - - /** Abinitio **/ - this.abinitioForm = new AbinitioForm({ - height : 700 - }); - + this.grid = new OverviewQueueGrid({height : 220}); } -// PrimaryDataMainView.prototype.getPanel = MainView.prototype.getPanel; + PrimaryDataMainView.prototype.getSlavePanel = function() { return { @@ -2155,9 +2263,9 @@ PrimaryDataMainView.prototype.getSlavePanel = function() { margin : 5, border : 0, defaults : { - height : 600 + height : 400 }, - items : [ + items : [ { xtype : 'panel', layout: { @@ -2166,141 +2274,121 @@ PrimaryDataMainView.prototype.getSlavePanel = function() { animate: true, activeOnTop: true }, - flex : 0.3, + flex : 0.2, border : 1, style : { borderColor : '#000000', borderStyle : 'solid', borderWidth : '1px' }, - items : [ - this.frameSelectorGrid.getPanel() - + items : [ + this.framesGrid.getPanel() ] }, - this.plotter.getPanel() - + this.plotter.getPanel() ] }; - }; -// PrimaryDataMainView.prototype.getPanel = function() { -// this.panel = Ext.create('Ext.panel.Panel', { -// margin : 10, -// layout : 'fit', -// autoScroll : true, -// // tbar : this.getToolBar(), -// items: [this.grid.getPanel(), this.getSlavePanel()] -// }); - -// return this.panel; -// }; - PrimaryDataMainView.prototype.getPanel = function() { - return Ext.createWidget('tabpanel', - { - plain : true, - layout : 'fit', - margin : '10 0 0 0', - items : [ - { - tabConfig : { - title : 'Primary Data Reduction' - }, - items : [ { - xtype : 'container', - autoScroll : true, - layout : 'fit', - padding : 20, - style : { - borderColor : 'gray', - borderStyle : 'solid', - borderWidth : '1px', - 'background-color' : 'white' - }, - items : [ - { - xtype : 'container', - items : [ - this.grid.getPanel(), - this.getSlavePanel() - ] - } - ] - } - - ] - }, - { - tabConfig : { - title : 'Abinitio Modeling' - }, - items : [ { - xtype : 'container', - layout : 'fit', - autoScroll : true, - height : 850, - padding : 20, - style : { - borderColor : 'gray', - borderStyle : 'solid', - borderWidth : '1px', - 'background-color' : 'white' - }, - items : [ - { - xtype : 'container', - items : [ - this.abinitioForm.getPanel() - ] - } - ] - } - - ] - } - ] - }); -}; - -PrimaryDataMainView.prototype.load = function(selected) { + return { + xtype : 'container', + autoScroll : true, + layout : 'fit', + padding : 10, + style : { + borderColor : 'gray', + borderStyle : 'solid', + borderWidth : '1px', + 'background-color' : 'white' + }, + items : [ + { + xtype : 'container', + items : [ + this.grid.getPanel(), + this.getSlavePanel() + ] + } + ] + }; +}; + +PrimaryDataMainView.prototype.load = function(dataCollectionId) { var _this = this; var onSuccessA = function (sender, dataCollections) { _this.grid.load(dataCollections); + + var onSuccessFrames = function (sender, averages){ + var allFrames = _.map(_.flatten(_.map(_.map(JSON.parse(averages), 'framelist3VO'), 'frametolist3VOs')), 'frame3VO'); + /** Retrieve subtraction */ + + var onSuccessSubtractions = function(sender, data) { + if (data){ + if (data[0].substraction3VOs){ + var subtraction = data[0].substraction3VOs[0]; + if (subtraction.sampleOneDimensionalFiles){ + var frameFromSampleAveraged = _.map(subtraction.sampleOneDimensionalFiles.frametolist3VOs, 'frame3VO'); + var frameFromBufferAveraged = _.map(subtraction.bufferOneDimensionalFiles.frametolist3VOs, 'frame3VO'); + + /** Identify discarded frames */ + for (var i in allFrames){ + var frame = allFrames[i]; + debugger + if (_.find(_.concat(frameFromSampleAveraged, frameFromBufferAveraged), {filePath : frame.filePath})){ + frame.discarded = false; + } + else{ + frame.discarded = true; + } + frame.type = 'Frame'; + frame.domId = frame.frameId; + } + + allFrames = _.orderBy(allFrames, ['filePath'], ['asc']); + allFrames.unshift({ + filePath : subtraction.substractedFilePath, + frameId : subtraction.subtractionId, + domId : subtraction.subtractionId + 'Subtraction', + type : 'Subtraction' + }); + allFrames.unshift({ + filePath : subtraction.bufferAverageFilePath, + frameId : subtraction.subtractionId, + domId : subtraction.subtractionId + 'BufferAverage', + type : 'BufferAverage' + }); + allFrames.unshift({ + filePath : subtraction.sampleAverageFilePath, + frameId : subtraction.subtractionId, + domId : subtraction.subtractionId + 'SampleAverage', + type : 'SampleAverage' + }); + _this.framesGrid.load(allFrames); + // if (subtraction.subtractionId){ + // var onSuccessSubtraction = function(sender, subtractions) { + // _this.abinitioForm.load(subtractions); + // }; + // EXI.getDataAdapter({onSuccess : onSuccessSubtraction}).saxs.subtraction.getSubtractionsBySubtractionIdList([subtraction.subtractionId]); + // } + } else { + _this.framesGrid.load(null); + } + } + } + }; + EXI.getDataAdapter({onSuccess : onSuccessSubtractions}).saxs.dataCollection.getDataCollectionsByDataCollectionId(dataCollectionId); + } + EXI.getDataAdapter({onSuccess : onSuccessFrames}).saxs.frame.getFramesByAverageId(_.map(dataCollections, 'Merge_mergeId')); } - - EXI.getDataAdapter({onSuccess : onSuccessA}).saxs.dataCollection.getDataCollectionsById(selected[0].dataCollectionId); - - - var onSuccess = function(sender, data) { - //_this.grid.load(data); - //_this.grid.panel.setLoading(false); - _this.frameSelectorGrid.load(data); - - if (data[0].substraction3VOs[0].subtractionId){ - var onSuccessSubtraction = function(sender, subtractions) { - _this.abinitioForm.load(subtractions); - }; - EXI.getDataAdapter({onSuccess : onSuccessSubtraction}).saxs.subtraction.getSubtractionsBySubtractionIdList([data[0].substraction3VOs[0].subtractionId]); - } - }; - - var dataCollectionIds = []; - for (var i = 0; i < selected.length; i++) { - dataCollectionIds.push(selected[i].dataCollectionId); - } - - EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByDataCollectionId(dataCollectionIds); - - + EXI.getDataAdapter({onSuccess : onSuccessA}).saxs.dataCollection.getDataCollectionsById(dataCollectionId); }; -function ShippingMainView() { +function ShipmentPreparationMainView() { MainView.call(this); @@ -2325,10 +2413,10 @@ function ShippingMainView() { }); } -ShippingMainView.prototype.getPanel = MainView.prototype.getPanel; +ShipmentPreparationMainView.prototype.getPanel = MainView.prototype.getPanel; -ShippingMainView.prototype.getContainer = function() { +ShipmentPreparationMainView.prototype.getContainer = function() { this.tabPanel = Ext.createWidget('tabpanel', { margin : 10, @@ -2362,7 +2450,7 @@ ShippingMainView.prototype.getContainer = function() { }; -ShippingMainView.prototype.load = function(shippingId) { +ShipmentPreparationMainView.prototype.load = function(shippingId) { this.shippingId = shippingId; if (shippingId == null){ @@ -2380,107 +2468,6 @@ ShippingMainView.prototype.load = function(shippingId) { EXI.getDataAdapter({onSuccess : onSuccess}).proposal.shipping.getShipment(shippingId); } }; -function ShippingWelcomeMainView() { - this.icon = '../images/icon/rsz_ic_home_black_24dp.png'; - - MainView.call(this); - this.title = "Welcome"; - this.closable = false; -} - -ShippingWelcomeMainView.prototype.getPanel = MainView.prototype.getPanel; -ShippingWelcomeMainView.prototype.getContainer = MainView.prototype.getContainer; - -ShippingWelcomeMainView.prototype.getContainer = function() { - return Ext.createWidget('panel', - { - plain : true, - margin : '10', - layout : 'fit', - items : [ - { - tabConfig : { - title : 'Welcome' - }, - items : [ { - xtype : 'container', - layout : 'fit', - padding : 20, - margin : 0, - cls : 'border-grid', - items : [ - - { - html : '

    Shipments

    ' - }, - { - html : '
    A Shipment consists of a set of Dewars which is sent from your home lab to the synchrotron via a courier company. Each dry shipping Dewar within the shipment is identified by a label (barcode or sticker). The dewars(s) contains a set of Containers (Pucks or canes). Containers (typically Pucks), contain Samples. A Sample (Sample Holder) contains the Crystal

    ', - margin : '0 0 0 20' - }, -// { -// html : '
    ', -// margin : '0 0 0 20' -// }, -// { -// html : '
    Tracking your shipment & contents (Dewars, toolboxes etc) allows you to follow the progress of your shipment from your home Lab to The ESRF.
    ', -// margin : '0 0 0 20' -// }, -// -// { -// html : '
    ', -// margin : '0 0 0 20' -// }, -// { -// html : this.getOptions(), -// margin : '0 0 0 40' -// }, - - { - html : '
    Do you want to ship your samples to the beamline?

    ', - margin : '0 0 0 20' - }, - { - xtype : 'container', - layout : 'hbox', - cls : 'option-bar-menu', - items :[ - - { - xtype : 'button', - cls : 'square-option', - maxWidth : 200, - minWidth : 200, - margin : '0 0 0 150', - height : 100, - text : '
    Create a new Shipment
    ', - icon : '../images/icon/add.png', - iconAlign : 'top', - handler : function(){ - - //if (EXI.proposalManager.getFutureSessions().length > 0){ - location.hash = '/shipping/main'; - //} - //else{ - // BUI.showError("Sorry, there are not sessions scheduled for this proposal"); - //} - } - }] - } - - - ] - } - - ] - } - ]}); - }; - - -ShippingWelcomeMainView.prototype.load = function() { - -}; - function StockSolutionMainView() { this.icon = 'images/icon/ic_satellite_black_18dp.png'; @@ -2956,7 +2943,6 @@ QueueGrid.prototype.getImage = function(subtractionId, category) { QueueGrid.prototype.attachCallBackAfterRender = function(nodeWithScroll) { var _this = this; - var lazy = { bind: 'event', /** !!IMPORTANT this is the parent node which contains the scroll **/ @@ -2970,6 +2956,7 @@ QueueGrid.prototype.attachCallBackAfterRender = function(nodeWithScroll) { }; var timer1 = setTimeout(function() { $('.queue-img').lazy(lazy);}, 500); + var timer2 = setTimeout(function() { $('.smalllazy').lazy(lazy);}, 500); }; @@ -3000,101 +2987,20 @@ function AbinitioForm(args) { if (args.height != null) { this.height = args.height; } - } - - var _this = this; - /** Widgets **/ - this.abinitioGrid = new AbinitioGrid({ - width : 700, - height : 600 - }); - - this.abinitioGrid.onSelected.attach(function(sender, models) { - var modelsIdList = []; - for ( var i in models) { - modelsIdList.push(models[i].modelId); - } - - _this.curvePlotter.loadUrl(EXI.getDataAdapter().saxs.frame.getFramesURL([],[],[],[],[],modelsIdList)); - _this._renderPDB(modelsIdList); - }); - - /** Dygraph Widget that plots fir files**/ - this.curvePlotter = new CurvePlotter({ - }); - /** PDB viewer **/ - this.viewer = new PDBViewer({ - width : 500, - height : 300 - }); - -} - - -AbinitioForm.prototype._renderPDB = function(modelsIdList) { - /** Trying to plot the PDB file **/ - try { - var viz = []; - for (var i = 0; i < modelsIdList.length; i++) { - viz.push({ - modelId : modelsIdList[i], - color : new THREE.Color(0xFF6600), - opacity : 0.8 - }); - } - this.viewer.refresh(viz); - } catch (e) { - console.log(e); - } -}; - - - -AbinitioForm.prototype.getPanel = function() { - var _this = this; - this.panel = Ext.create('Ext.panel.Panel', { - width : this.width, - cls : 'border-grid', - layout : 'hbox', - height : this.height, - margin : 5, - border : 1, - defaultType : 'textfield', - items : [ - { - xtype : 'container', - layout : 'vbox', - items : [ -// { -// xtype : 'label', -// forId : 'myFieldId', -// text : 'INLINE HELP: To be updated', -// margin : '15 0 20 10', -// cls : "inline-help" -// }, - this.abinitioGrid.getPanel() - ] - }, - { - xtype : 'container', - layout : 'vbox', - items : [ - { - xtype : 'container', - layout : 'fit', - height : 300, - margin : '10 0 0 0', - width : 500, - items : [ - this.curvePlotter.getPanel() - ] - }, - this.viewer.getPanel() - ] - } - ] + } + + var _this = this; + /** Widgets **/ + this.abinitioGrid = new AbinitioGrid({ + width : 700, + height : 600 }); - return this.panel; +} + + + +AbinitioForm.prototype.getPanel = function() { + return this.abinitioGrid.getPanel(); }; @@ -3126,7 +3032,7 @@ function AbinitioGrid(args) { AbinitioGrid.prototype.refresh = function(subtractions){ - this.store.loadData(this._prepareData(subtractions)); + $('#' + this.id).html(this.doTemplate(this._prepareData(subtractions))); }; AbinitioGrid.prototype._prepareData = function(subtractions){ @@ -3156,450 +3062,33 @@ AbinitioGrid.prototype._prepareData = function(subtractions){ } } } + console.log(models) return models; }; -AbinitioGrid.prototype.getPanel = function(){ - var _this = this; - - - var modelFields = [ "modelId", "type", "chiSqrt", "dmax", "firFile", "logFile", "fitFile", "pdbFile", "rfactor", "rg", "volume" ]; - Ext.define('AbinitioModel', { - extend : 'Ext.data.Model', - fields : modelFields - +AbinitioGrid.prototype.doTemplate = function(data){ + var html = ""; + dust.render("abinitiogrid.template", data, function(err, out) { + html = html + out; }); + return html; +}; - /** - * Store in Memory - */ - this.store = Ext.create('Ext.data.Store', { - model : 'AbinitioModel', - autoload : true, - groupField : 'type' - }); - +AbinitioGrid.prototype.getPanel = function(){ - var groupingFeature = Ext.create('Ext.grid.feature.Grouping',{ - groupHeaderTpl: '{name} ({rows.length} model{[values.rows.length > 1 ? "s" : ""]})', - startCollapsed: false, - collapsible : true - }); - var selModel = Ext.create('Ext.selection.RowModel', { - allowDeselect : true, -// mode : 'multi', - listeners : { - selectionchange : function(sm, selections) { - if (selections.length > 0){ - _this.onSelected.notify([selections[0].data]); - } - - } - - } }); - - this.grid = Ext.create('Ext.grid.Panel', { - collapsible : false, - resizable : true, - selModel : selModel, - features: [groupingFeature], - autoscroll : true, - multiSelect : true, - store : this.store, - cls : 'border-grid', - height : this.height, - width : this.width, - margin : 10, - columns : [ { - text : "Type", - dataindex : "type", - hidden : true, - renderer : function(a, b, record) { - return record.data.type; - }, - flex : 1 - }, - { - text : "ModelId", - dataindex : "modelId", - hidden : true, - renderer : function(a, b, record) { - return record.data.modelId; - - }, - flex : 1 - }, - - { - text : "chiSqrt", - dataindex : "chiSqrt", - renderer : function(a, b, record) { - if (record.data.dmax != null) { - return BUI.formatValuesUnits(record.data.chiSqrt, "", 12, this.decimals); - } - - }, - flex : 1 - }, - { - text : "Dmax", - dataindex : "dmax", - renderer : function(a, b, record) { - if (record.data.dmax != null) { - return BUI.formatValuesUnits(record.data.dmax, "nm", 12, this.decimals); - } - - }, - flex : 1 - }, { - text : "rFactor", - dataindex : "rfactor", - hidden : true, - renderer : function(a, b, record) { - if (record.data.rfactor != null) { - return record.data.rfactor; - } - }, - flex : 1 - }, { - text : "Rg", - dataindex : "rg", - renderer : function(a, b, record) { - if (record.data.rg != null) { - return BUI.formatValuesUnits(record.data.rg, "nm", 12, this.decimals); - } - - }, - flex : 1 - }, - { - text : "Volume", - dataindex : "volume", - renderer : function(a, b, record) { - if (record.data.volume != null){ - return BUI.formatValuesUnits(record.data.volume, '') + " nm3"; - } - }, - flex : 1 - }, - { - text : "PDB", - dataindex : "pdbFile", - renderer : function(a, b, record) { - if (record.data.pdbFile != null){ - return record.data.pdbFile.split("/")[record.data.pdbFile.split("/").length - 1]; - } - }, - flex : 1 - }, { - text : "Fir", - dataindex : "firFile", - renderer : function(a, b, record) { - if (record.data.firFile != null){ - return record.data.firFile.split("/")[record.data.firFile.split("/").length - 1]; - } - }, - flex : 1 - }, { - text : "LOG", - dataindex : "logFile", - hidden : true, - renderer : function(a, b, record) { - if (record.data.logFile != null){ - return record.data.logFile.split("/")[record.data.logFile.split("/").length - 1]; - } - }, - flex : 1 - } - ], - viewConfig : { - enableTextSelection : true, - preserveScrollOnRefresh : true, - stripeRows : true, - listeners : { -// 'celldblclick' : function(grid, td, cellIndex, record, tr, rowIndex, e, eOpts) { -// }, -// 'cellclick' : function(grid, td, cellIndex, record, tr, rowIndex, e, eOpts) { -// var models = []; -// debugger -// for (var i = 0; i < grid.getSelectionModel().selected.items.length; i++) { -// models.push(grid.getSelectionModel().selected.items[i].data); -// } -// -// } - } - } - }); - return this.grid; + var html = this.doTemplate({}); -}; - -/** - * Edit the information of a buffer - * - * #onRemoveAdditive - */ -function AddressForm(args) { - this.id = BUI.id(); - this.height = 500; - this.width = 500; - - this.isSaveButtonHidden = false; - this.isHidden = false; - - if (args != null) { - if (args.height != null) { - this.height = args.height; - } - if (args.width != null) { - this.width = args.width; - } - if (args.isSaveButtonHidden != null) { - this.isSaveButtonHidden = args.isSaveButtonHidden; - } - if (args.isHidden != null) { - this.isHidden = args.isHidden; - } - - } -} - -AddressForm.prototype.getAddress = function() { - if (this.address == null) { - this.address = {}; - } - this.address["billingReference"] = Ext.getCmp(this.id + "billingReference").getValue(); - this.address["cardName"] = Ext.getCmp(this.id + "cardName").getValue(); - this.address["courierAccount"] = Ext.getCmp(this.id + "courierAccount").getValue(); - this.address["defaultCourrierCompany"] = Ext.getCmp(this.id + "courrierCompany").getValue(); - this.address["dewarAvgCustomsValue"] = Ext.getCmp(this.id + "dewarAvgCustomsValue").getValue(); - this.address["dewarAvgTransportValue"] = Ext.getCmp(this.id + "dewarAvgTransportValue").getValue(); - - if (this.address.personVO == null) { - this.address.personVO = {}; - } - else{ - - } - - this.address.personVO["emailAddress"] = Ext.getCmp(this.id + "emailAddress").getValue(); - this.address.personVO["familyName"] = Ext.getCmp(this.id + "familyName").getValue(); - this.address.personVO["givenName"] = Ext.getCmp(this.id + "name").getValue(); - this.address.personVO["faxNumber"] = Ext.getCmp(this.id + "faxNumber").getValue(); - this.address.personVO["phoneNumber"] = Ext.getCmp(this.id + "phoneNumber").getValue(); - return this.address; -}; - -AddressForm.prototype._loadPerson = function(givenName, familyName, emailAddress, faxNumber, phoneNumber) { - Ext.getCmp(this.id + "emailAddress").setValue(emailAddress); - Ext.getCmp(this.id + "familyName").setValue(familyName); - Ext.getCmp(this.id + "name").setValue(givenName); - Ext.getCmp(this.id + "faxNumber").setValue(faxNumber); - Ext.getCmp(this.id + "phoneNumber").setValue(phoneNumber); -}; - -AddressForm.prototype.load = function(address) { - this.address = address; - - if (address != null) { - Ext.getCmp(this.id + "cardName").setValue(address.cardName); - Ext.getCmp(this.id + "courrierCompany").setValue(address.defaultCourrierCompany); - Ext.getCmp(this.id + "dewarAvgCustomsValue").setValue(address.dewarAvgCustomsValue); - Ext.getCmp(this.id + "dewarAvgTransportValue").setValue(address.dewarAvgTransportValue); - Ext.getCmp(this.id + "courierAccount").setValue(address.courierAccount); - Ext.getCmp(this.id + "billingReference").setValue(address.billingReference); - - if (address.personVO != null) { - this._loadPerson(address.personVO.givenName, address.personVO.familyName, address.personVO.emailAddress, - address.personVO.faxNumber, address.personVO.phoneNumber); - } - } -}; - -AddressForm.prototype.getPersonPanel = function() { - this.personPanel = Ext.create('Ext.panel.Panel', { - layout : 'vbox', - margin : '10', - items : [ { - padding : 10, - xtype : 'container', - layout : 'hbox', - border : false, - items : [ { - xtype : 'requiredtextfield', - id : this.id + 'name', - fieldLabel : 'Name', - labelWidth : 75, - margin : "0 0 0 10", - disabled : true, - width : 200 - }, - { - xtype : 'requiredtextfield', - id : this.id + 'familyName', - fieldLabel : 'Surname', - labelWidth : 75, - disabled : true, - margin : "0 0 0 10", - width : 200 - }, - { - xtype : 'requiredtextfield', - id : this.id + 'emailAddress', - fieldLabel : 'Email', - labelWidth : 75, - margin : "0 0 0 10", - width : 300 - }, - { - id : this.id + 'phoneNumber', - fieldLabel : 'Phone', - xtype : 'textfield', - labelWidth : 75, - margin : "0 0 0 10", - width : 220 - }, - { - id : this.id + 'faxNumber', - fieldLabel : 'Fax', - xtype : 'textfield', - labelWidth : 75, - margin : "0 0 0 10", - width : 220 - } ] }, - - { - padding : 10, - xtype : 'container', - layout : 'hbox', - border : false, - items : [ { - xtype : 'requiredtextfield', - id : this.id + 'cardName', - fieldLabel : 'Card Name', - name : 'CardName', - labelWidth : 150, - margin : "0 0 0 10", - width : 300 - }, - { - xtype : 'requiredtextfield', - id : this.id + 'courierAccount', - fieldLabel : 'Courier Account', - margin : "0 0 0 30", - labelWidth : 150, - width : 300 - }, - { - xtype : 'requiredtextfield', - id : this.id + 'courrierCompany', - fieldLabel : 'Courier Company', - margin : "0 0 0 30", - labelWidth : 150, - width : 300 - } ] }, - - { - padding : 10, - xtype : 'container', - layout : 'hbox', - border : false, - items : [ { - id : this.id + 'dewarAvgCustomsValue', - fieldLabel : 'Average Custom Value', - xtype : 'numberfield', - margin : "0 0 0 10", - minValue : 0, - maxValue : 15, - labelWidth : 150, - width : 300 - }, - { - id : this.id + 'dewarAvgTransportValue', - fieldLabel : 'Average Transport Value', - xtype : 'numberfield', - margin : "0 0 0 30", - minValue : 0, - maxValue : 15, - labelWidth : 150, - width : 300 - }, - { - id : this.id + 'billingReference', - xtype : 'textfield', - fieldLabel : 'Billing Reference', - margin : "0 0 0 30", - labelWidth : 150, - width : 300 - } ] } - - ] }); - return this.personPanel; -}; - -AddressForm.prototype.getPackagePanel = function() { - this.packagePanel = Ext.create('Ext.panel.Panel', { - layout : 'hbox', - items : [ { - padding : 10, - xtype : 'container', - layout : 'vbox', - border : false, - items : [ { - xtype : 'container', - layout : 'hbox', - items : [ - ] - }, { - xtype : 'container', - layout : 'hbox', - margin : "10 0 0 0", - items : [ - - ] } ] } ] }); - return this.packagePanel; -}; - -AddressForm.prototype.getPanel = function() { - this.panel = Ext.create('Ext.panel.Panel', { - hidden : this.isHidden, - layout : 'vbox', - title : 'Shipping Address Card', - cls : "border-grid", - buttons : this.getToolBar(), - icon : '../images/icon/ic_email_black_24dp.png', - items : [ - this.getPersonPanel() - ] }); - return this.panel; -}; - -AddressForm.prototype.save = function() { - var _this = this; - - _this.panel.setLoading(); - var onSuccess = function(sender) { - _this.panel.setLoading(false); - EXI.getDataAdapter().proposal.proposal.update(); - }; - EXI.getDataAdapter({onSuccess : onSuccess }).proposal.labcontacts.saveLabContact(_this.getAddress()); -}; - -AddressForm.prototype.getToolBar = function() { - var _this = this; - return [ { - text : 'Save', - hidden : _this.isSaveButtonHidden, - width : 100, - handler : function() { - _this.save(); - - } } ]; + return [{ + html : '
    ' + html + '
    ', + autoScroll : true, + border : 1, + padding : 0, + height : this.height + }]; }; - /** * Rigid body grid to show PDB, symmetry and multiplicity * @@ -6175,251 +5664,127 @@ ExperimentHeaderForm.prototype.getPanel = function() { }; -function FrameSelectorGrid(args) { +function FramesGrid (args) { + this.id = BUI.id(); + this.selectedFrames = []; - this.onSelectionChange = new Event(this); + this.onSelectionChange = new Event(this); } -/** - * Fill the tree with information about the subtraction: samples, buffers, - * averages and subtrated curve * - */ -FrameSelectorGrid.prototype.loadData = function(measurements, dataCollections) { - var _this = this; - - /** - * Given a data collection return the run numbers, sample and buffer - * acronym * - */ - function getSubtractionTitleByDataCollection(dataCollection) { - - return "DataCollection"; - /** Sorts datacollection by data collection order - dataCollection.measurementtodatacollection3VOs.sort(function(a, b) { - return a.dataCollectionOrder - b.dataCollectionOrder; - }); - for (var i = 0; i < dataCollection.measurementtodatacollection3VOs.length; i++) { - function getMeasurementTitle(measurementId) { - for (var i = 0; i < _this.measurements.length; i++) { - if (_this.measurements[i].measurementId == measurementId) { - if (_this.measurements[i].macromoleculeId != null) { - return _this.measurements[i].macromoleculeAcronym + ": " + _this.measurements[i].concentration + "mg/ml"; - } - return ""; - }; - }; - }; - title = title + " " + getMeasurementTitle(dataCollection.measurementtodatacollection3VOs[i].measurementId); - } - return title;**/ - } - - /** Gets the sample and buffer frames * */ - function getChildren(dataCollection) { - var children = []; - function getTreeFromFrameList(OneDimensionalFiles) { - var sampleFrames = []; - if (OneDimensionalFiles.frametolist3VOs) { - for (var j = 0; j < OneDimensionalFiles.frametolist3VOs.length; j++) { - sampleFrames.push({ - text : OneDimensionalFiles.frametolist3VOs[j].frame3VO.filePath, - type : "Frame", - frameId : OneDimensionalFiles.frametolist3VOs[j].frame3VO.frameId, - leaf : true }); - } - } - return sampleFrames; - } - - if (dataCollection != null) { - if (dataCollection.substraction3VOs != null) { - dataCollection.substraction3VOs.sort(function(a, b) { - return a.subtractionId - b.subtractionId - }); - if (dataCollection.substraction3VOs.length > 0) { - var lastSubtraction = dataCollection.substraction3VOs[dataCollection.substraction3VOs.length - 1]; - children.push({ - text : lastSubtraction.substractedFilePath, - subtractionId : lastSubtraction.subtractionId, - type : "Subtraction", - leaf : true, } - - ); - children.push({ - text : lastSubtraction.sampleAverageFilePath, - subtractionId : lastSubtraction.subtractionId, - type : "SampleAverage", - leaf : true, } - - ); - children.push({ - text : lastSubtraction.bufferAverageFilePath, - subtractionId : lastSubtraction.subtractionId, - type : "BufferAverage", - leaf : true, } - - ); - - if (lastSubtraction.sampleOneDimensionalFiles != null) { - children.push({ - text : "Sample", - leaf : false, - type : 'Sample', - children : getTreeFromFrameList(lastSubtraction.sampleOneDimensionalFiles, 'Sample') } - - ); - } - if (lastSubtraction.bufferOneDimensionalFiles != null) { - children.push({ - text : "Buffer", - leaf : false, - type : 'Buffer', - children : getTreeFromFrameList(lastSubtraction.bufferOneDimensionalFiles, 'Buffer') } - - ); - } - - } - } - } - return children; - } - - var parsed = []; - for (var i = 0; i < dataCollections.length; i++) { - parsed.push({ - text : getSubtractionTitleByDataCollection(dataCollections[i]), - leaf : false, - children : getChildren(dataCollections[i]) }); - } - - _this.treePanel.setRootNode({ - expanded : true, - children : parsed } - ); -}; - -FrameSelectorGrid.prototype.load = function(data) { - var _this = this; - this.measurements = data; - this.subtractionIds = []; - - var dataCollectionIdList = []; - if (this.measurements != null) { - for (var i = 0; i < this.measurements.length; i++) { - if (this.measurements[i].dataCollectionId != null) { - dataCollectionIdList.push(this.measurements[i].dataCollectionId); - this.subtractionIds.push(this.measurements[i].subtractionId); - } - } +FramesGrid.prototype.getPanel = function () { + return { + html : '
    ', + autoScroll : true } - this.subtractionIds = $.unique(this.subtractionIds); - - var onSuccess = (function(sender, data) { - if (data != null) { - _this.loadData(_this.measurements, data); - } +}; - }); - EXI.getDataAdapter({onSuccess : onSuccess}).saxs.dataCollection.getDataCollectionsByDataCollectionId(dataCollectionIdList); +FramesGrid.prototype.load = function (frames) { + if (frames) { + this.frames = frames; + this.frames.id = this.id; -}; + var html = ""; + dust.render("frames.grid.template",frames,function (err,out){ + html += out; + }); -FrameSelectorGrid.prototype.getPanel = function() { - var _this = this; - this.store = Ext.create('Ext.data.TreeStore', { - proxy: { - type: 'memory' - }, - columns : [ { - xtype : 'treecolumn', //this is so we know which column will show the tree - text : 'Text', - dataIndex : 'text' } ] }); + $("#" + this.id).html(html); - var selModel = Ext.create('Ext.selection.RowModel', { - allowDeselect : true, - mode : 'multi', - listeners : { - selectionchange : function(sm, selections) { - var frameIds = []; - var sampleAverages = []; - var bufferAverages = []; - var subtractions = []; - if (selections != null) { - for (var i = 0; i < selections.length; i++) { - if (selections[i].data.type) { - if (selections[i].data.type == "Frame") { - frameIds.push(selections[i].data.frameId); - } - if (selections[i].data.type == "SampleAverage") { - sampleAverages.push(selections[i].data.subtractionId); - } - if (selections[i].data.type == "BufferAverage") { - bufferAverages.push(selections[i].data.subtractionId); - } - if (selections[i].data.type == "Subtraction") { - subtractions.push(selections[i].data.subtractionId); - } - } - } + this.setClickListeners(); + } else { + $("#" + this.id).html("

    No frames found

    "); + } +}; - /** Event is only triggered if node is a leaf **/ - _this.onSelectionChange.notify({ - frame : frameIds, - average : [], - sampleaverage : sampleAverages, - bufferaverage : bufferAverages, - subtracted : subtractions }); - } +FramesGrid.prototype.setClickListeners = function () { + var _this = this; + $('#' + this.id + '-frames-table').unbind('click').on('click', '.frame-cell-element', function(event) { + var domId = event.target.id; + if (event.shiftKey && _this.selectedFrames.length > 0){ + var last = _this.selectedFrames[_this.selectedFrames.length-1].domId; + if (last != domId) { + var lastIndex = _this.frames.indexOf(_this.getFrameByDomId(last)); + var currentIndex = _this.frames.indexOf(_this.getFrameByDomId(domId)); + var begin = Math.min(lastIndex, currentIndex); + var end = Math.max(lastIndex, currentIndex); + _this.deselectAll(); + for (var i = begin ; i <= end ; i++) { + _this.select(_this.frames[i].domId); + } + } + } else { + if (event.ctrlKey) { + if (_this.selectedFrames.indexOf(_this.getFrameByDomId(domId)) >= 0) { + _this.deselect(domId); + } else { + _this.select(domId); + } + } else { + if (_this.selectedFrames.length == 1 && _this.selectedFrames[0].domId == domId) { + _this.deselect(domId); + } else { + _this.deselectAll(); + _this.select(domId); + } + } + } + _this.onSelectionChange.notify(_this.parseSelected()); + }); +} - } +FramesGrid.prototype.select = function (domId) { + this.selectedFrames.push(this.getFrameByDomId(domId)); + $("#" + domId).addClass('x-grid-item-selected'); +} - } }); +FramesGrid.prototype.deselect = function (domId) { + var _this = this; + _.remove(this.selectedFrames,function(o) {return o.domId == domId}); + $("#" + domId).removeClass('x-grid-item-selected'); +} - this.treePanel = Ext.create('Ext.tree.Panel', { - title : 'Data Collections', - selModel : selModel, - store : this.store, - rootVisible : false, - buttons : [ { - text : "Download", - xtype : 'button', - handler : function(sender) { -// var params = _this.getParams(); - window.open(EXI.getDataAdapter().saxs.subtraction.getZip(_this.subtractionIds.toString())); - } - }], - columns : [ { - xtype : 'treecolumn', - dataIndex : 'text', - flex : 1, - renderer : function(tree, opts, record) { - if (record.data.leaf) { - if (record.data.text.lastIndexOf("/") != -1) { - return record.data.text.substr(record.data.text.lastIndexOf("/") + 1); - } - } - return record.data.text; - } } ] -// , -// dockedItems : [ { -// dock : 'bottom', -// xtype : 'toolbar', -// height : 50, -// items : [ { -// glyph : 61, -// xtype : 'button' }, '-', { -// glyph : 88, -// xtype : 'button' }, { -// glyph : 70, -// xtype : 'button' }, '-', { -// text : 'Sent to idealized curve maker', -// glyph : 1, -// xtype : 'button' } ] } ] - }); - return this.treePanel; -}; +FramesGrid.prototype.deselectAll = function () { + this.selectedFrames = []; + $(".frame-cell-element").removeClass("x-grid-item-selected"); +} + +// FramesGrid.prototype.getFileName = function (filePath) { +// var withExtension = filePath.substring(filePath.lastIndexOf('/')+1); +// return withExtension.substring(0,withExtension.indexOf(".")); +// } +FramesGrid.prototype.getFrameByDomId = function (domId) { + var _this = this; + return _.filter(this.frames,function (o) {return o.domId == domId})[0]; +}; + +FramesGrid.prototype.parseSelected = function () { + var parsed = { + average : [], + bufferaverage : [], + frame : [], + sampleaverage : [], + subtracted : [] + }; + for (var i = 0 ; i < this.selectedFrames.length ; i++) { + var frame = this.selectedFrames[i]; + switch (frame.type) { + case 'Frame': + parsed.frame.push(frame.frameId); + break; + case 'Subtraction': + parsed.subtracted.push(frame.frameId); + break; + case 'BufferAverage': + parsed.bufferaverage.push(frame.frameId); + break; + case 'SampleAverage': + parsed.sampleaverage.push(frame.frameId); + break; + } + } + return parsed; +} /** * Class for managing wizards * @@ -6476,10 +5841,7 @@ function HPLCGraph(args) { if (args != null) { if (args.interactionModel != null) { this.interactionModel = args.interactionModel; - } - if (args.width != null) { - this.width = args.width; - } + } if (args.height != null) { this.height = args.height; } @@ -6624,8 +5986,7 @@ HPLCGraph.prototype.getPoint = function(data, i) { return [ data.fstd(y - error), data.fdata(y), data.fstd(y + error) ]; } return [ data.fdata(y) - error, data.fdata(y), data.fdata(y) + error ]; - } - return point; + } }; HPLCGraph.prototype.reloadData = function(hplcData) { @@ -6724,8 +6085,9 @@ HPLCGraph.prototype._renderDygraph = function(parsed, colors, labels) { }; -HPLCGraph.prototype.loadData = function(data) { +HPLCGraph.prototype.loadData = function(data,experimentId) { var _this = this; + this.experimentId = experimentId; this.reloadData(data); this.panel.addDocked({ cls : 'hplcMenu', @@ -6775,6 +6137,28 @@ HPLCGraph.prototype.loadData = function(data) { isZoomedIgnoreProgrammaticZoom : true, dateWindow : [ start, end ] }); } }, + { + xtype : 'button', + text : 'Download Range', + icon : '../images/icon/ic_get_app_black_24dp.png', + handler : function() { + var start = parseFloat(Ext.getCmp("main_field_start").getValue()); + var end = parseFloat(Ext.getCmp("main_field_end").getValue()); + + if (start < 0) { + start = 0; + } + if (end < 0) { + end = 0; + } + if (start > end) { + var aux = end; + end = start; + start = aux; + } + + location.href = EXI.getDataAdapter().saxs.hplc.getDownloadHDF5FramesURL(_this.experimentId,start, end) + } }, "->", { xtype : 'button', @@ -6789,13 +6173,11 @@ HPLCGraph.prototype.loadData = function(data) { HPLCGraph.prototype.getPanel = function() { var _this = this; this.panel = Ext.create('Ext.panel.Panel', { - padding : this.plotPanelPadding, - // width : this.width + 4 * this.plotInnerPanelPadding, - // height : this.height + 4 * this.plotInnerPanelPadding - 100, + margin : this.plotPanelPadding, + flex : 1, items : [ { html : "", - id : this.id, - flex : 1, + id : this.id, height : this.height } ] }); this.panel.on("afterrender", function(panel) { @@ -6807,9 +6189,7 @@ HPLCGraph.prototype.getPanel = function() { return this.panel; }; -HPLCGraph.prototype.input = function() { - return DATADOC.getHPLCData(); -}; + HPLCGraph.prototype.getDataByFrameNumber = function(frameNumber) { var data = {}; @@ -6820,23 +6200,6 @@ HPLCGraph.prototype.getDataByFrameNumber = function(frameNumber) { return data; }; -HPLCGraph.prototype.test = function(targetId) { - var mainPlotPanel = new HPLCGraph({ - title : 'I0', - width : 800, - height : 400, - plots : { - "I0" : true, - "Rg" : true, - "Mass" : true }, - xlabel : "HPLC Frames", - scaled : this.scaled, - interactionModel : { - 'dblclick' : function(event, g, context) {} } }); - mainPlotPanel.getPanel().render(targetId); - mainPlotPanel.loadData(mainPlotPanel.input()); - -}; function MergesHPLCGraph(args) { HPLCGraph.prototype.constructor.call(this, args); @@ -6937,7 +6300,7 @@ MergesHPLCGraph.prototype.getMenu = function() { actions.push({ text : "Save", scope : this, - icon : 'images/icon/ic_get_app_black_24dp.png', + icon : '../images/icon/ic_get_app_black_24dp.png', handler : function(item, pressed) { var largeImage = document.createElement("img"); largeImage.style.display = 'block'; @@ -6950,26 +6313,6 @@ MergesHPLCGraph.prototype.getMenu = function() { return actions; }; -MergesHPLCGraph.prototype.input = function() { - return DATADOC.getScatteringHPLCFrameData(); -}; - -MergesHPLCGraph.prototype.test = function(targetId) { - var mainPlotPanel = new MergesHPLCGraph({ - title : 'Scattering', - width : this.plotWidth, - height : 500, - showRangeSelector : false, - xParam : 0, - xlabel : "scattering_I", - plots : { - "scattering_I" : true, - "subtracted_I" : true, - "buffer_I" : true } }); - mainPlotPanel.getPanel().render(targetId); - mainPlotPanel.loadData(mainPlotPanel.input()); -}; - /** * Macromolecule form with the general parameters of a macromolecule * @@ -8466,6 +7809,8 @@ SampleAutomaticPositionFactory.prototype.setPosition = function() { */ function MeasurementGrid(args) { this.id = BUI.id(); + + this.onRemoved = new Event(this); } @@ -8491,67 +7836,67 @@ MeasurementGrid.prototype.getPanel = function(){ } }; -MeasurementGrid.prototype._prepareData = function(measurements, experiments) { - var data = []; +// MeasurementGrid.prototype._prepareData = function(measurements, experiments) { +// var data = []; - for (var i = 0; i < measurements.length; i++) { - var measurement = measurements[i]; - var specimen = experiments.getSampleById(measurement.specimenId); - var buffer = EXI.proposalManager.getBufferById(specimen.bufferId); - measurement.buffer_acronym = buffer.acronym; - measurement.bufferId = buffer.bufferId; - measurement.volume = specimen.volume; - if (specimen.macromolecule3VO != null) { - measurement.acronym = specimen.macromolecule3VO.acronym; - measurement.macromoleculeId = specimen.macromolecule3VO.macromoleculeId; - } - measurement.concentration = specimen.concentration; - if (measurement.run3VO != null) { - measurement.energy = measurement.run3VO.energy; - measurement.expExposureTemperature = measurement.run3VO.exposureTemperature; - measurement.storageTemperature = measurement.run3VO.storageTemperature; - measurement.timePerFrame = measurement.run3VO.timePerFrame; - measurement.radiationAbsolute = measurement.run3VO.radiationAbsolute; - measurement.radiationRelative = measurement.run3VO.radiationRelative; - measurement.status = "DONE"; - - try { +// for (var i = 0; i < measurements.length; i++) { +// var measurement = measurements[i]; +// var specimen = experiments.getSampleById(measurement.specimenId); +// var buffer = EXI.proposalManager.getBufferById(specimen.bufferId); +// measurement.buffer_acronym = buffer.acronym; +// measurement.bufferId = buffer.bufferId; +// measurement.volume = specimen.volume; +// if (specimen.macromolecule3VO != null) { +// measurement.acronym = specimen.macromolecule3VO.acronym; +// measurement.macromoleculeId = specimen.macromolecule3VO.macromoleculeId; +// } +// measurement.concentration = specimen.concentration; +// if (measurement.run3VO != null) { +// measurement.energy = measurement.run3VO.energy; +// measurement.expExposureTemperature = measurement.run3VO.exposureTemperature; +// measurement.storageTemperature = measurement.run3VO.storageTemperature; +// measurement.timePerFrame = measurement.run3VO.timePerFrame; +// measurement.radiationAbsolute = measurement.run3VO.radiationAbsolute; +// measurement.radiationRelative = measurement.run3VO.radiationRelative; +// measurement.status = "DONE"; + +// try { - if (measurement.run3VO.timeStart != null) { - if (measurement.run3VO.timeStart != "") { - measurement.miliseconds = moment(measurement.run3VO.timeStart).format("X"); - } - } - } catch (E) { - console.log(E); - } - } +// if (measurement.run3VO.timeStart != null) { +// if (measurement.run3VO.timeStart != "") { +// measurement.miliseconds = moment(measurement.run3VO.timeStart).format("X"); +// } +// } +// } catch (E) { +// console.log(E); +// } +// } - if (experiments.getDataCollectionByMeasurementId(measurement.measurementId).length > 0) { - var measurementtodatacollection3VOs = experiments.getDataCollectionByMeasurementId(measurement.measurementId)[0].measurementtodatacollection3VOs; - for (var k = 0; k < measurementtodatacollection3VOs.length; k++) { - if (measurementtodatacollection3VOs[k].dataCollectionOrder == 1) { - var specimenBuffer = experiments.getSampleById(experiments.getMeasurementById(measurementtodatacollection3VOs[k].measurementId).specimenId); - if (specimenBuffer.sampleplateposition3VO != null) { - measurement.bufferSampleplateposition3VO = specimenBuffer.sampleplateposition3VO; - measurement.bufferSampleplate = (experiments.getSamplePlateById(specimenBuffer.sampleplateposition3VO.samplePlateId)); - } - } - } - } +// if (experiments.getDataCollectionByMeasurementId(measurement.measurementId).length > 0) { +// var measurementtodatacollection3VOs = experiments.getDataCollectionByMeasurementId(measurement.measurementId)[0].measurementtodatacollection3VOs; +// for (var k = 0; k < measurementtodatacollection3VOs.length; k++) { +// if (measurementtodatacollection3VOs[k].dataCollectionOrder == 1) { +// var specimenBuffer = experiments.getSampleById(experiments.getMeasurementById(measurementtodatacollection3VOs[k].measurementId).specimenId); +// if (specimenBuffer.sampleplateposition3VO != null) { +// measurement.bufferSampleplateposition3VO = specimenBuffer.sampleplateposition3VO; +// measurement.bufferSampleplate = (experiments.getSamplePlateById(specimenBuffer.sampleplateposition3VO.samplePlateId)); +// } +// } +// } +// } - if (this.collapsed) { - /** If collapsed only the samples * */ - if (specimen.macromolecule3VO != null) { - data.push(measurement); - } - } else { - data.push(measurement); - } +// if (this.collapsed) { +// /** If collapsed only the samples * */ +// if (specimen.macromolecule3VO != null) { +// data.push(measurement); +// } +// } else { +// data.push(measurement); +// } - } - return data; -}; +// } +// return data; +// }; /** * Example form * @@ -12966,29 +12311,33 @@ OverviewQueueGrid.prototype.render = function(data) { o.urlSpecific = EXI.getDataAdapter().saxs.frame.downloadFramesByAverageIdList(o.Merge_mergeId); } }); - + for (var dataCollectionId in grouped){ var last = _.maxBy(grouped[dataCollectionId], 'MeasurementToDataCollection_dataCollectionOrder'); - if (last.Subtraction_subtractionId){ - last.rowSpan = grouped[dataCollectionId].length; - last.scattering = this.getImage(last.Subtraction_subtractionId,"scattering"); - last.kratky = this.getImage(last.Subtraction_subtractionId,"kratky"); - last.density = this.getImage(last.Subtraction_subtractionId,"density"); - last.guinier = this.getImage(last.Subtraction_subtractionId,"guinier"); - if (last.Run_creationDate) { - last.dataReduction = true; + if(last){ + if (last.Subtraction_subtractionId){ + last.rowSpan = grouped[dataCollectionId].length; + last.scattering = this.getImage(last.Subtraction_subtractionId,"scattering"); + last.kratky = this.getImage(last.Subtraction_subtractionId,"kratky"); + last.density = this.getImage(last.Subtraction_subtractionId,"density"); + last.guinier = this.getImage(last.Subtraction_subtractionId,"guinier"); + if (last.Run_runId) { + last.dataReduction = true; + } } - } _.minBy(grouped[dataCollectionId], 'MeasurementToDataCollection_dataCollectionOrder').rowClass = "blue-bottom-border-row"; + } } - - - dust.render("overview.queue.grid.test.template", data, function(err, out) { + + dust.render("overview.queue.grid.template", data, function(err, out) { html = html + out; }); $('#' + this.id).html(html); - this.attachCallBackAfterRender(document.getElementById("xx")); + + var nodeWithScroll = document.getElementById(document.getElementById(this.id).parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.parentNode.id); + + this.attachCallBackAfterRender(nodeWithScroll); }; @@ -14821,10 +14170,29 @@ function SamplePlateGroupWidget(args){ /** Events * */ this.onClick = new Event(this); this.onExperimentChanged = new Event(this); + + this.plateGroup = [{ + type: 'Deep Well', + rowCount : 8, + columnCount : 12, + id : 'deep-well' + }, + { + type: ' 4 x ( 8 + 3 ) Block', + rowCount : 4, + columnCount : 11, + id : 'block' + }, + { + type: '96 Well plate', + rowCount : 8, + columnCount : 12, + id : 'well-plate' + }]; } -SamplePlateGroupWidget.prototype.drawPlate = function(experiment, plate, targetId){ +SamplePlateGroupWidget.prototype.drawPlate = function(dataCollections, plate, targetId){ var _this = this; var samplePlateWidget = new SamplePlateWidget( @@ -14834,7 +14202,7 @@ SamplePlateGroupWidget.prototype.drawPlate = function(experiment, plate, targetI nodeSize : this.nodeSize, fontSize : 8, strokeWidth : 1.5, - enableClick : false + enableClick : true }); if (this.isVerticalLayout()){ @@ -14842,15 +14210,15 @@ SamplePlateGroupWidget.prototype.drawPlate = function(experiment, plate, targetI samplePlateWidget.height = this.heightPlates - 10; } - samplePlateWidget.draw(experiment, plate, targetId ); + samplePlateWidget.draw(dataCollections, plate, targetId ); samplePlateWidget.onNodeSelected.attach(function(sender, args){ _this.onClick.notify( { samplePlate : args.samplePlate, row : args.node.row, - column : args.node.column - + column : args.node.column, + specimenId : args.node.specimenId } ); }); @@ -14869,19 +14237,15 @@ SamplePlateGroupWidget.prototype.drawPlate = function(experiment, plate, targetI this.samplePlateWidgets.push(samplePlateWidget); }; -SamplePlateGroupWidget.prototype.drawPlates = function(experiment){ - if (experiment){ - var plateGroups = experiment.getPlateGroups(); - for ( var i = 0; i < plateGroups.length; i++) { - var id = plateGroups[i].plateGroupId; - var plates = experiment.getPlatesByPlateGroupId(id); - for ( var j = 0; j < plates.length; j++) { - var targetId = ('id', this.id + "_" + plates[j].samplePlateId); - if (document.getElementById(targetId) != null){ - this.drawPlate(experiment, plates[j], targetId); - } +SamplePlateGroupWidget.prototype.drawPlates = function(dataCollections){ + if (dataCollections){ + for (var i = 0 ; i < this.plateGroup.length ; i++){ + var plate = this.plateGroup[i]; + var targetId = ('id', this.id + "_" + plate.id); + if (document.getElementById(targetId) != null){ + this.drawPlate(dataCollections, plate, targetId); } - } + } } }; @@ -14892,11 +14256,11 @@ SamplePlateGroupWidget.prototype._sortPlates = function(a, b) { */ /** This returns maxSlotPositionRow and maxSlotPositionColumn to set visually the sample changer layout **/ -SamplePlateGroupWidget.prototype.getDimensions = function(plates) { +SamplePlateGroupWidget.prototype.getDimensions = function(sample) { var maxSlotPositionRow = 0; var maxSlotPositionColumn = 0; - if (plates != null){ + if (sample != null){ for (var i = 0; i < plates.length; i++) { /** Row **/ var slotPositionRow = plates[i].slotPositionRow; @@ -14945,12 +14309,8 @@ SamplePlateGroupWidget.prototype.getPlateBySlotPosition = function(plates, row, }; /** Returns the html that will be used to display the plates **/ -SamplePlateGroupWidget.prototype.getPlatesContainer = function(experiment){ +SamplePlateGroupWidget.prototype.getPlatesContainer = function(dataCollections){ var plateGroups = []; - - if (experiment!= null){ - plateGroups = experiment.getPlateGroups(); - } var div = document.createElement("div"); var table = document.createElement("table"); @@ -14958,30 +14318,25 @@ SamplePlateGroupWidget.prototype.getPlatesContainer = function(experiment){ table.setAttribute('width', this.width - 30 + 'px'); table.setAttribute('height', this.heightPlates + 'px'); - for ( var i = 0; i < plateGroups.length; i++) { - var id = plateGroups[i].plateGroupId; - var plates = experiment.getPlatesByPlateGroupId(id); - var dimensions = this.getDimensions(plates); - - for ( var j = 1; j <= dimensions.maxSlotPositionRow; j++) { - for ( var k = 1; k <= dimensions.maxSlotPositionColumn; k++) { + if (dataCollections!= null){ + for (var i = 0 ; i < this.plateGroup.length ; i++) { var tr = document.createElement("tr"); - var plate = this.getPlateBySlotPosition(plates,j,k); - var td = document.createElement("td"); - td.setAttribute('id', this.id + "_" + plate.samplePlateId); - td.setAttribute('style', "background-color:#E6E6E6;border-width:1px;border-style:solid;"); - /** plate Type title * */ - var divTitle = document.createElement("div"); - divTitle.setAttribute("class", "menu-title"); - var text = document.createTextNode(plate.platetype3VO.name); - divTitle.appendChild(text); - - td.appendChild(divTitle); - tr.appendChild(td); - table.appendChild(tr); - } + // var plate = this.getPlateBySlotPosition(plates,j,k); + var td = document.createElement("td"); + // td.setAttribute('id', this.id + "_" + plate.samplePlateId); + td.setAttribute('id', this.id + "_" + this.plateGroup[i].id); + td.setAttribute('style', "background-color:#E6E6E6;border-width:1px;border-style:solid;"); + /** plate Type title * */ + var divTitle = document.createElement("div"); + divTitle.setAttribute("class", "menu-title"); + var text = document.createTextNode(this.plateGroup[i].type); + divTitle.appendChild(text); + + td.appendChild(divTitle); + tr.appendChild(td); + table.appendChild(tr); } - } + } div.appendChild(table); return div.innerHTML; }; @@ -14997,11 +14352,9 @@ SamplePlateGroupWidget.prototype.selectSpecimens = function(specimens){ }; SamplePlateGroupWidget.prototype.selectSpecimen = function(specimen){ - if (specimen.sampleplateposition3VO != null){ -// var samplePlateId = specimen.sampleplateposition3VO.samplePlateId; + if (specimen.SamplePlatePosition_samplePlateId != null){ for ( var i = 0; i < this.samplePlateWidgets.length; i++) { -// var samplePlateId = this.samplePlateWidgets[i].samplePlate.samplePlateId; - if ( this.samplePlateWidgets[i].samplePlate.samplePlateId == specimen.sampleplateposition3VO.samplePlateId){ + if ( this.samplePlateWidgets[i].samplePlate.type == specimen.SamplePlate_name){ this.samplePlateWidgets[i].selectSpecimen(specimen); return; } @@ -15016,14 +14369,13 @@ SamplePlateGroupWidget.prototype._refreshBbar = function(){ } }; -SamplePlateGroupWidget.prototype.refresh = function(experiment){ - this.experiment = experiment; +SamplePlateGroupWidget.prototype.refresh = function(dataCollections){ + this.dataCollections = dataCollections; this.samplePlateWidgets = []; - if (document.getElementById(this.id + "_container") != null){ document.getElementById(this.id + "_container").innerHTML = ""; - document.getElementById(this.id + "_container").innerHTML = this.getPlatesContainer(experiment); - this.drawPlates(experiment); + document.getElementById(this.id + "_container").innerHTML = this.getPlatesContainer(dataCollections); + this.drawPlates(dataCollections); } /** We refrsh also the bbar but it could not exist yet* */ @@ -15431,35 +14783,37 @@ SamplePlateWidget.prototype.clear = function(experiment, samplePlate, targetId) } }; -SamplePlateWidget.prototype.load = function (experiment) { - for (var i = 0 ; i < experiment.getSamples().length ; i++) { - var specimen = experiment.getSamples()[i]; - if (specimen.sampleplateposition3VO.samplePlateId == this.samplePlate.samplePlateId) { - var nodeId = this.id + "-node-"+ specimen.sampleplateposition3VO.rowNumber + "-" +specimen.sampleplateposition3VO.columnNumber; - var color = experiment.getSpecimenColorByBufferId(specimen.specimenId); - if (specimen.macromolecule3VO != null) { - color = experiment.macromoleculeColors[specimen.macromolecule3VO.macromoleculeId] - } +SamplePlateWidget.prototype.load = function (dataCollections) { + for (var i = 0 ; i < dataCollections.length ; i++) { + var specimen = dataCollections[i]; + if (specimen.SamplePlate_name == this.samplePlate.type) { + var nodeId = this.id + "-node-"+ specimen.SamplePlatePosition_rowNumber + "-" +specimen.SamplePlatePosition_columnNumber; + // var color = experiment.getSpecimenColorByBufferId(specimen.Specimen_specimenId); + // if (specimen.Macromolecule_macromoleculeId != null) { + // color = experiment.macromoleculeColors[specimen.macromolecule3VO.macromoleculeId] + // } + var color = "blue"; + this.getNodeById(nodeId).specimenId = specimen.Specimen_specimenId; $("#" + nodeId).attr("fill",color); - if (specimen.measurements && specimen.measurements.length > 0) { - if (specimen.measurements[0].run3VO.runId != null) { - $("#" + this.id + "-square-"+ specimen.sampleplateposition3VO.rowNumber + "-" +specimen.sampleplateposition3VO.columnNumber).attr("visibility","visible"); + if (specimen.Measurement_measurementId) { + if (specimen.Run_runId != null) { + $("#" + this.id + "-square-"+ specimen.SamplePlatePosition_rowNumber + "-" +specimen.SamplePlatePosition_columnNumber).attr("visibility","visible"); } } } } }; -SamplePlateWidget.prototype.draw = function(experiment, samplePlate, targetId, windowContainerId) { +SamplePlateWidget.prototype.draw = function(dataCollections, samplePlate, targetId, windowContainerId) { this.onVertexUp = new Event(this); this.samplePlate = samplePlate; - this.experiment = experiment; + this.dataCollections = dataCollections; this.targetId = targetId; $("#" + this.targetId).append( "
    " ); - var rows = this.samplePlate.platetype3VO.rowCount; - var columns = this.samplePlate.platetype3VO.columnCount; + var rows = this.samplePlate.rowCount; + var columns = this.samplePlate.columnCount; var formatter = { // type : "LineEdgeNetworkFormatter", @@ -15498,7 +14852,7 @@ SamplePlateWidget.prototype.draw = function(experiment, samplePlate, targetId, w for ( var i = 1; i <= rows; i++) { for ( var j = 1; j <= columns; j++) { var factor = 0.8; - if (this.samplePlate.platetype3VO.name == " 4 x ( 8 + 3 ) Block") { + if (this.samplePlate.type == " 4 x ( 8 + 3 ) Block") { if (j >= 9) { factor = 1.0; } else { @@ -15556,11 +14910,11 @@ SamplePlateWidget.prototype.draw = function(experiment, samplePlate, targetId, w this.attachClickListeners(); } - this.load(this.experiment); + this.load(this.dataCollections); }; -SamplePlateWidget.prototype.attachClickListeners = function (row, column) { +SamplePlateWidget.prototype.attachClickListeners = function () { var _this = this; for (var i = 0 ; i < this.nodes.length ; i++) { var node = this.nodes[i]; @@ -15586,109 +14940,14 @@ SamplePlateWidget.prototype.getNodeById = function (id) { SamplePlateWidget.prototype.clearSelection = function() { for (var i = 0 ; i < this.nodes.length ; i++) { var node = this.nodes[i]; - $("#" + node.squareId).removeClass("plate-square-selected"); + $("#" + node.nodeId).removeClass("plate-square-selected"); } }; SamplePlateWidget.prototype.selectSpecimen = function(specimen) { - var squareId = this.id + "-square-"+ specimen.rowNumber + "-" +specimen.columnNumber; - $("#" + squareId).addClass("plate-square-selected"); -}; - -// SamplePlateWidget.prototype.draw = function(experiment, samplePlate, targetId, windowContainerId) { -// var _this = this; -// debugger -// /** This is the id of the window where the sampleplateform is just to position correctly the tooltips **/ -// this.windowContainerId = windowContainerId; -// if (Ext.isIE6 || Ext.isIE7 || Ext.isIE8) { -// document.getElementById(targetId).innerHTML = BUI.getWarningHTML(this.notSupportedMessage); -// return; -// } - -// this.onVertexUp = new Event(this); -// this.samplePlate = samplePlate; -// this.experiment = experiment; - -// this.targetId = targetId; - -// var rows = this.samplePlate.platetype3VO.rowCount; -// var columns = this.samplePlate.platetype3VO.columnCount; - -// this.network = new NetworkWidget({ -// targetId : targetId -// }); -// var dataset = new GraphDataset(); -// var formatter = new NetworkDataSetFormatter({ -// defaultFormat : { -// type : "LineEdgeNetworkFormatter", -// 'fill-opacity' : 1, -// fill : this.wellColor, -// 'stroke-width' : this.strokeWidth, -// 'stroke-opacity' : 1, - -// stroke : "#000000", -// size : this.nodeSize, -// title : { -// fontSize : this.fontSize, -// fill : "#000000" -// } -// } -// }, null, { -// labeled : false, -// height : this.height, -// width : this.width, - -// right : this.width, -// backgroundColor : this.backgroundColor, -// balanceNodes : false, -// nodesMaxSize : 12, -// nodesMinSize : 2 -// }); - -// formatter.dataBind(dataset); -// var layout = new LayoutDataset(); -// layout.dataBind(dataset); -// this.network.draw(dataset, formatter, layout); - -// for ( var i = 1; i <= rows; i++) { -// for ( var j = 1; j <= columns; j++) { -// this.network.getDataset().addNode("", { -// row : i, -// column : j -// }); - -// if (this.samplePlate.platetype3VO.name == " 4 x ( 8 + 3 ) Block") { -// if (j < 9) { -// this.network.getFormatter().vertices[this.network.getDataset().getVerticesCount() - 1].getDefault().setSize(this.nodeSize * 0.8); -// } else { -// this.network.getFormatter().vertices[this.network.getDataset().getVerticesCount() - 1].getDefault().setSize(this.nodeSize * 1.4); -// } -// } - -// } -// } - -// /** EVENT WHEN USER CLICK ON A WELL **/ -// this.network.graphCanvas.onVertexUp.attach(function(sender, nodeId) { -// _this.onVertexUp.notify({ -// samplePlate : _this.samplePlate, -// row : _this.network.getDataset().getVertexById(nodeId).args.row, -// column : _this.network.getDataset().getVertexById(nodeId).args.column - -// }); -// }); - -// this.network.graphCanvas.onVertexOver.attach(function(sender, nodeId) { -// }); - -// this.relayout(this.network, rows, columns); -// this.fillSimulator(this.experiment.getSamples()); - -// if (this.showBorderLabels) { -// this.drawBorders(); -// } - -// }; + var nodeId = this.id + "-node-"+ specimen.SamplePlatePosition_rowNumber + "-" +specimen.SamplePlatePosition_columnNumber; + $("#" + nodeId).addClass("plate-square-selected"); +}; SamplePlateWidget.prototype.drawBorders = function() { var xArray = {}; @@ -15733,40 +14992,10 @@ SamplePlateWidget.prototype.addOkIcon = function(x, y, id, specimen) { var id = id + "_marked"; if (this.markedSpecimenId[id] == null) { SVG.drawRectangle(x - 10, y - 10, 22, 22, svg, [ [ "id", id ], [ "fill", "gray" ],["stroke-opacity", "0.5"], [ "fill-opacity", "0.2" ], [ 'stroke', 'black' ] ]); -// $('#' + id).qtip({ -// content : { -// text : _this._getToolTipContent(specimen) -// }, -// position : { -// adjust : { -// x : 0, -// y : 20 -// } -// }, -// style : { -// width : true, -// classes : 'ui-tooltip-shadow' -// } -// }); this.markedSpecimenId[id] = true; } }; -// SamplePlateWidget.prototype.selectSpecimen = function(specimen) { -// var vertex = this.getVertexByPosition(specimen.sampleplateposition3VO.rowNumber, specimen.sampleplateposition3VO.columnNumber); -// var x = this.network.getLayout().vertices[vertex.id].x * this.width; -// var y = this.network.getLayout().vertices[vertex.id].y * this.height; -// var svg = this.network.graphCanvas._svg; -// this.selectedSVGNodes.push(SVG.drawRectangle(x - 9, y - 9, 20, 20, svg, [["fill", "red"], ["fill-opacity", "0"], ['stroke', 'blue' ], [ 'stroke-width', '2' ] ])); -// }; - -// SamplePlateWidget.prototype.clearSelection = function() { -// var svg = this.network.graphCanvas._svg; -// for ( var i = 0; i < this.selectedSVGNodes.length; i++) { -// svg.removeChild(this.selectedSVGNodes[i]); -// } -// this.selectedSVGNodes = []; -// }; SamplePlateWidget.prototype.getVertexByPosition = function(row, column) { var vertices = this.network.getDataset().getVertices(); @@ -15778,20 +15007,6 @@ SamplePlateWidget.prototype.getVertexByPosition = function(row, column) { return null; }; -//SamplePlateWidget.prototype.getOpacity = function(specimen) { -// var concentrations = this.experiment.getConcentrationsBysample(specimen); -// var normalized = Normalizer.normalizeArray(concentrations); -// for ( var i = 0; i < concentrations.length; i++) { -// if (concentrations[i] == specimen.concentration) { -// if (normalized[i] == 0) -// return 0.2; -// return 0.2 + normalized[i] * 0.6; -// } -// } -// return 1; -// -//}; - SamplePlateWidget.prototype.showLabel = function(row, column, specimen) { if (specimen != null) { var vertex = this.getVertexByPosition(row, column); @@ -15908,32 +15123,6 @@ SamplePlateWidget.prototype.fillWell = function(row, column, specimen) { if (this.showTooltip) { var id = this.network.getGraphCanvas().getSVGNodeId(vertex.id); -// if (_this.windowContainerId != null) { -// $('#' + id).qtip({ -// content : { -// text : _this._getToolTipContent(specimen) -// }, -// position : { -// adjust : { -// x : 0, -// y : 20 -// } -// } -// }); -// } else { -// $('#' + id).qtip({ -// content : { -// text : _this._getToolTipContent(specimen) -// }, -// position : { -// adjust : { -// x : 0, -// y : 20 -// } -// } -// }); -// -// } } } }; @@ -16296,45 +15485,42 @@ function SpecimenGrid(args) { this.onSpecimenChanged = new Event(); } -SpecimenGrid.prototype._prepareData = function(experiment) { +SpecimenGrid.prototype._prepareData = function(dataCollections) { var data = []; - var samples = experiment.getSamples(); - for ( var i = 0; i < samples.length; i++) { - var sample = samples[i]; - if (sample.macromolecule3VO != null) { - sample.macromolecule = sample.macromolecule3VO.acronym; + for ( var i = 0; i < dataCollections.length; i++) { + var sample = dataCollections[i]; + if (sample.Macromolecule_macromoleculeId != null) { + sample.macromolecule = sample.Macromolecule_acronym; sample.exposureTemperature = []; - sample.macromoleculeId = sample.macromolecule3VO.macromoleculeId; + sample.macromoleculeId = sample.Macromolecule_macromoleculeId; } - if (sample.sampleplateposition3VO != null) { - if (sample.sampleplateposition3VO.samplePlateId != null) { - sample.samplePlateId = sample.sampleplateposition3VO.samplePlateId; - sample.rowNumber = sample.sampleplateposition3VO.rowNumber; - sample.columnNumber = sample.sampleplateposition3VO.columnNumber; - if (experiment.getSamplePlateById(sample.sampleplateposition3VO.samplePlateId).plategroup3VO != null) { - sample.plateGroupName = experiment.getSamplePlateById(sample.sampleplateposition3VO.samplePlateId).plategroup3VO.name; - sample.samplePlateName = experiment.getSamplePlateById(sample.sampleplateposition3VO.samplePlateId).name + " [" + sample.plateGroupName + "]"; - sample.slotPositionColumn = experiment.getSamplePlateById(sample.sampleplateposition3VO.samplePlateId).slotPositionColumn; - } + if (sample.SamplePlatePosition_samplePlatePositionId != null) { + if (sample.SamplePlatePosition_samplePlateId != null) { + sample.samplePlateId = sample.SamplePlatePosition_samplePlateId; + sample.rowNumber = sample.SamplePlatePosition_rowNumber; + sample.columnNumber = sample.SamplePlatePosition_columnNumber; + // sample.plateGroupName = experiment.getSamplePlateById(sample.sampleplateposition3VO.samplePlateId).plategroup3VO.name; + sample.samplePlateName = sample.SamplePlate_name; + sample.slotPositionColumn = sample.SamplePlate_slotPositionColumn; } } else { sample.samplePlateName = "Unallocated Specimens"; } /** For grouping, because sencha has not option for multiple grouping I add a field to your store with a convert function that concatenates these two fields and then group by that field.**/ - sample.groupIndex = sample.bufferId + sample.macromoleculeId; - var macromolecule = EXI.proposalManager.getMacromoleculeById(sample.macromoleculeId); + sample.groupIndex = sample.Buffer_bufferId + sample.Macromolecule_macromoleculeId; + var macromolecule = EXI.proposalManager.getMacromoleculeById(sample.Macromolecule_macromoleculeId); sample.acronym = "Buffers"; if (macromolecule != null) { - sample.acronym = EXI.proposalManager.getMacromoleculeById(sample.macromoleculeId).acronym; + sample.acronym = EXI.proposalManager.getMacromoleculeById(sample.Macromolecule_macromoleculeId).acronym; } - sample.buffer = experiment.getBufferById(sample.bufferId); + sample.buffer = EXI.proposalManager.getBufferById(sample.Buffer_bufferId); - sample.volumeToLoad = experiment.getVolumeToLoadBySampleId(sample.sampleId); + sample.volumeToLoad = sample.Measurement_volumeToLoad; data.push(sample); } return data; @@ -16348,7 +15534,7 @@ SpecimenGrid.prototype.selectById = function(specimenId) { this.grid.getSelectionModel().deselectAll(); for ( var i = 0; i < this.grid.getStore().data.items.length; i++) { var item = this.grid.getStore().data.items[i].data; - if (item.specimenId == specimenId) { + if (item.Specimen_specimenId == specimenId) { this.grid.getSelectionModel().select(i); } } @@ -16526,26 +15712,37 @@ SpecimenGrid.prototype.getPanelByExperiment = function(experiment) { return this.getPanel(data); }; -SpecimenGrid.prototype.refresh = function(experiment) { - this.experiment = experiment; - var data = this._prepareData(experiment); - this.store.loadData(data); +SpecimenGrid.prototype.refresh = function(dataCollections) { + // debugger + this.dataCollections = dataCollections; + _.map(dataCollections, function(o){ + if(o.Macromolecule_macromoleculeId){ + o.acronym = EXI.proposalManager.getMacromoleculeById(o.Macromolecule_macromoleculeId).acronym; + } else { + o.acronym = "Buffers"; + } + o.groupIndex = o.Buffer_bufferId + o.Macromolecule_macromoleculeId; + }); + // var data = this._prepareData(dataCollections); + + this.store.loadData(dataCollections); }; SpecimenGrid.prototype.getPanel = function() { + var _this = this; this.store = Ext.create('Ext.data.Store', { fields : [ - 'buffer', 'bufferId', 'code', 'macromolecule', 'acronym', 'macromoleculeId', 'concentration', 'volume', 'samplePlateId', - 'slotPositionColumn', 'rowNumber', 'columnNumber', 'groupIndex' ], + 'Buffer_acronym', 'Buffer_bufferId', 'Measurement_code', 'Macromolecule_acronym', 'acronym', 'Macromolecule_macromoleculeId', 'Specimen_concentration', 'Specimen_volume', 'SamplePlatePosition_samplePlateId', + 'SamplePlate_slotPositionColumn', 'SamplePlatePosition_rowNumber', 'SamplePlatePosition_columnNumber', 'groupIndex' ], data : [], groupField : 'acronym' }); this.store.sort([ { - property : 'concentration', + property : 'Specimen_concentration', direction : 'ASC' }, { - property : 'buffer', + property : 'Buffer_acronym', direction : 'ASC' } ]); @@ -16554,12 +15751,10 @@ SpecimenGrid.prototype.getPanel = function() { // mode : this.selectionMode, listeners : { select : function(sm, record, index, eOpts ) { -// debugger -// var selected = []; -// for ( var i = 0; i < selections.length; i++) { -// selected.push(selections[i].data); -// } _this.onSelected.notify([record.data]); + }, + deselect : function(sm, record, index, eOpts ) { + _this.onSelected.notify([]); } } }); @@ -16591,43 +15786,37 @@ SpecimenGrid.prototype.getPanel = function() { columns : [ { text : '', - dataIndex : 'macromolecule', + dataIndex : 'Macromolecule_acronym', width : 20, renderer : function(val, y, sample) { - var macromoleculeId = null; - if (sample.data.macromolecule3VO != null) { - macromoleculeId = sample.data.macromolecule3VO.macromoleculeId; - } - else{ - macromoleculeId = sample.data.macromoleculeId; - } - + var macromoleculeId = sample.data.Macromolecule_macromoleculeId; if (macromoleculeId == null) return; - return BUI.getRectangleColorDIV(_this.experiment.macromoleculeColors[macromoleculeId], 10, 10); + // return BUI.getRectangleColorDIV(_this.experiment.macromoleculeColors[macromoleculeId], 10, 10); + return BUI.getRectangleColorDIV("red", 10, 10); } }, { text : 'Macromolecule', - dataIndex : 'macromolecule', + dataIndex : 'Macromolecule_acronym', width : 100 }, { text : '', - dataIndex : 'buffer', + dataIndex : 'Buffer_acronym', width : 20, renderer : function(val, y, sample) { var color = "black"; - if (sample.data.bufferId != null) { - if (_this.experiment.getDataCollectionsBySpecimenId(sample.data.specimenId)[0] != null){ - color = _this.experiment.getSpecimenColorByBufferId(_this.experiment.getMeasurementById(_this.experiment.getDataCollectionsBySpecimenId(sample.data.specimenId)[0].measurementtodatacollection3VOs[0].measurementId).specimenId); - } + if (sample.data.Buffer_bufferId != null) { + // if (_this.experiment.getDataCollectionsBySpecimenId(sample.data.Specimen_specimenId)[0] != null){ + // color = _this.experiment.getSpecimenColorByBufferId(_this.experiment.getMeasurementById(_this.experiment.getDataCollectionsBySpecimenId(sample.data.Specimen_specimenId)[0].measurementtodatacollection3VOs[0].measurementId).specimenId); + // } return BUI.getRectangleColorDIV(color, 10, 10); } } } , { text : 'Buffer', - dataIndex : 'bufferId', + dataIndex : 'Buffer_bufferId', width : 140, editor : BIOSAXS_COMBOMANAGER.getComboBuffers(EXI.proposalManager.getBuffers(), { noLabel : true, @@ -16641,7 +15830,7 @@ SpecimenGrid.prototype.getPanel = function() { }, { text : 'Conc.', - dataIndex : 'concentration', + dataIndex : 'Specimen_concentration', width : 100, editor : { allowBlank : false @@ -16665,35 +15854,36 @@ SpecimenGrid.prototype.getPanel = function() { }, { text : 'Vol. Well', - dataIndex : 'volume', + dataIndex : 'Specimen_volume', width : 70, editor : { allowBlank : true }, renderer : function(val, y, sample) { - return BUI.formatValuesUnits(sample.data.volume, 'µl', { + return BUI.formatValuesUnits(sample.data.Specimen_volume, 'µl', { fontSize : 12, decimals : 2, unitsFontSize : this.unitsFontSize }); } }, + // { + // text : 'Position', + // hidden : true, + // flex : 1, + // renderer : function(val, y, sample) { + // return BUI.getSamplePositionHTML(sample.data, _this.experiment); + // } + // }, { - text : 'Position', - hidden : true, - flex : 1, - renderer : function(val, y, sample) { - return BUI.getSamplePositionHTML(sample.data, _this.experiment); - } - }, { text : 'samplePlateId', - dataIndex : 'samplePlateId', + dataIndex : 'SamplePlatePosition_samplePlateId', hidden : true }, { text : 'Plate', hidden : this.isPositionColumnHidden, - dataIndex : 'slotPositionColumn', + dataIndex : 'SamplePlate_slotPositionColumn', editor : _this._getSlotColumBombo(), flex : 1, renderer : function(val, meta, sample) { @@ -16706,7 +15896,7 @@ SpecimenGrid.prototype.getPanel = function() { }, { text : 'Row', hidden : this.isPositionColumnHidden, - dataIndex : 'rowNumber', + dataIndex : 'SamplePlatePosition_rowNumber', editor : this._getRowCombo(), flex : 1, renderer : function(val, meta, sample) { @@ -16719,7 +15909,7 @@ SpecimenGrid.prototype.getPanel = function() { }, { text : 'Well', hidden : this.isPositionColumnHidden, - dataIndex : 'columnNumber', + dataIndex : 'SamplePlatePosition_columnNumber', editor : this._getColumnCombo(), flex : 1, renderer : function(val, meta, sample) { @@ -16758,8 +15948,9 @@ SpecimenGrid.prototype.getPanel = function() { preserveScrollOnRefresh : true, stripeRows : true, getRowClass : function(record) { - var specimens = _this.experiment.getSampleByPosition(record.data.samplePlateId, record.data.rowNumber, - record.data.columnNumber); + var specimens = _.filter(_this.dataCollections,{"SamplePlatePosition_rowNumber":record.data.SamplePlatePosition_rowNumber, + "SamplePlatePosition_columnNumber":record.data.SamplePlatePosition_columnNumber, + "SamplePlatePosition_samplePlateId":record.data.SamplePlatePosition_samplePlateId}); if (specimens.length > 1) { return 'red-row'; @@ -16871,80 +16062,77 @@ function SpecimenWidget(args){ this.samplePlateGroupWidget.onClick.attach(function(sender, args) { /** Clicking on a plate * */ - var row = args.row; - var column = args.column; - var samplePlateId = args.samplePlate.samplePlateId; - - /** is specimen selected on the grid? * */ - if (_this.specimenSelected != null) { - /** Is position target empty * */ - if (_this.experiment.getSampleByPosition(args.samplePlate.samplePlateId, args.row, args.column).length == 0) { - var specimen = _this.experiment.getSampleById(_this.specimenSelected.specimenId); - if (specimen.sampleplateposition3VO == null) { - specimen.sampleplateposition3VO = {}; - } - - specimen.sampleplateposition3VO = { - columnNumber : column, - rowNumber : row, - samplePlateId : samplePlateId - }; - - _this.samplePlateGroupWidget.panel.setLoading("ISPyB: Saving specimen"); - /** If success * */ - var onSuccess = (function(sender, experiment) { - _this.samplePlateGroupWidget.panel.setLoading(false); - _this.samplePlateGroupWidget.refresh(_this.experiment); - _this.specimenGrid.refresh(_this.experiment); - //_this.refresh(_this.experiment); - _this.specimenSelected = null; - _this.specimenGrid.deselectAll(); - }); - -// adapter.onError.attach(function(sender, error) { -// _this.samplePlateGroupWidget.panel.setLoading(false); -// showError(error); -// }); - - EXI.getDataAdapter({onSuccess : onSuccess}).saxs.specimen.saveSpecimen(specimen); + // var row = args.row; + // var column = args.column; + // var samplePlate = args.samplePlate; + var specimenId = args.specimenId; + if (_this.specimenSelected && _this.specimenSelected.Specimen_specimenId == specimenId) { + _this.samplePlateGroupWidget.selectSpecimens([]); + _this.specimenGrid.deselectAll(); + _this.specimenSelected = null; + } else { + _this.specimenSelected = {Specimen_specimenId : specimenId}; + _this.specimenGrid.selectById(specimenId); + } + +// /** is specimen selected on the grid? * */ +// if (_this.specimenSelected != null) { +// /** Is position target empty * */ +// if (specimenId) { +// _this.samplePlateGroupWidget.panel.setLoading("ISPyB: Saving specimen"); +// /** If success * */ +// var onSuccess = (function(sender, experiment) { +// _this.samplePlateGroupWidget.panel.setLoading(false); +// _this.samplePlateGroupWidget.refresh(_this.experiment); +// _this.specimenGrid.refresh(_this.experiment); +// //_this.refresh(_this.experiment); +// _this.specimenSelected = null; +// _this.specimenGrid.deselectAll(); +// }); + +// // adapter.onError.attach(function(sender, error) { +// // _this.samplePlateGroupWidget.panel.setLoading(false); +// // showError(error); +// // }); + +// EXI.getDataAdapter({onSuccess : onSuccess}).saxs.specimen.saveSpecimen(specimen); - } else { - /** - * Can we merge? We can merge when specimen are the - * same. So, same buffer, macromolecule, concentration * - */ - var target = _this.experiment.getSampleByPosition(args.samplePlate.samplePlateId, args.row, args.column)[0]; - var specimen = _this.experiment.getSampleById(_this.specimenSelected.specimenId); - if (target == specimen) { - _this.samplePlateGroupWidget.refresh(_this.experiment); - _this.specimenSelected = null; - _this.specimenGrid.deselectAll(); - } else { - if ((specimen.bufferId == target.bufferId) && (specimen.concentration == target.concentration)) { - if (((specimen.macromolecule3VO != null) && (target.macromolecule3VO != null) && (specimen.macromolecule3VO.macromoleculeId == target.macromolecule3VO.macromoleculeId)) || - ((specimen.macromolecule3VO == null) && (target.macromolecule3VO == null))) { - var onSuccess = (function(sender, data) { - _this.load(new Experiment(data)); - _this.samplePlateGroupWidget.panel.setLoading(false); +// } else { +// /** +// * Can we merge? We can merge when specimen are the +// * same. So, same buffer, macromolecule, concentration * +// */ +// var target = _this.experiment.getSampleByPosition(args.samplePlate.samplePlateId, args.row, args.column)[0]; +// var specimen = _this.experiment.getSampleById(_this.specimenSelected.specimenId); +// if (target == specimen) { +// _this.samplePlateGroupWidget.refresh(_this.experiment); +// _this.specimenSelected = null; +// _this.specimenGrid.deselectAll(); +// } else { +// if ((specimen.bufferId == target.bufferId) && (specimen.concentration == target.concentration)) { +// if (((specimen.macromolecule3VO != null) && (target.macromolecule3VO != null) && (specimen.macromolecule3VO.macromoleculeId == target.macromolecule3VO.macromoleculeId)) || +// ((specimen.macromolecule3VO == null) && (target.macromolecule3VO == null))) { +// var onSuccess = (function(sender, data) { +// _this.load(new Experiment(data)); +// _this.samplePlateGroupWidget.panel.setLoading(false); - _this.onExperimentChanged.notify(experiment); - }); - _this.samplePlateGroupWidget.panel.setLoading("ISPyB: Merging specimens"); - EXI.getDataAdapter({onSuccess : onSuccess}).saxs.specimen.mergeSpecimens(specimen.specimenId, target.specimenId); - _this.specimenSelected = null; - _this.specimenGrid.deselectAll(); - } - } else { - $.notify("Well is not empty. Select another well!", "error"); - } - } - } - } else { - var specimen = _this.experiment.getSampleByPosition(args.samplePlate.samplePlateId, args.row, args.column)[0]; - if (specimen != null) { - _this.specimenGrid.selectById(specimen.specimenId); - } - } +// _this.onExperimentChanged.notify(experiment); +// }); +// _this.samplePlateGroupWidget.panel.setLoading("ISPyB: Merging specimens"); +// EXI.getDataAdapter({onSuccess : onSuccess}).saxs.specimen.mergeSpecimens(specimen.specimenId, target.specimenId); +// _this.specimenSelected = null; +// _this.specimenGrid.deselectAll(); +// } +// } else { +// $.notify("Well is not empty. Select another well!", "error"); +// } +// } +// } +// } else { +// if (specimenId != null) { +// _this.specimenGrid.selectById(specimenId); +// } +// } }); /** Events **/ this.onExperimentChanged = new Event(this); @@ -16953,8 +16141,8 @@ function SpecimenWidget(args){ /** * Return vbox or hbox depending on the slot positions of the plates */ -SpecimenWidget.prototype.getContainerLayoutConfiguration = function(experiment){ - var dimensions = this.samplePlateGroupWidget.getDimensions(experiment.getSamplePlates()); +SpecimenWidget.prototype.getContainerLayoutConfiguration = function(dataCollections){ + // var dimensions = this.samplePlateGroupWidget.getDimensions(experiment.getSamplePlates()); // if (dimensions.maxSlotPositionRow < dimensions.maxSlotPositionColumn){ // return { // layout : "vbox", @@ -16975,13 +16163,13 @@ SpecimenWidget.prototype.getContainerLayoutConfiguration = function(experiment){ }; -SpecimenWidget.prototype.load = function(experiment){ - this.experiment = experiment; +SpecimenWidget.prototype.load = function(dataCollections){ + this.dataCollections = _.uniqBy(dataCollections,"Specimen_specimenId"); /** Removing all components **/ this.panel.removeAll(); - - var layoutConfiguration = this.getContainerLayoutConfiguration(experiment); + + var layoutConfiguration = this.getContainerLayoutConfiguration(dataCollections); /** Setting new width and height for layout vbox and hbox **/ this.specimenGrid.width = layoutConfiguration.specimenGridWidth; @@ -17015,8 +16203,8 @@ SpecimenWidget.prototype.load = function(experiment){ this.panel.insert(container); /** Load data **/ - this.specimenGrid.refresh(experiment); - this.samplePlateGroupWidget.refresh(experiment); + this.specimenGrid.refresh(this.dataCollections); + this.samplePlateGroupWidget.refresh(this.dataCollections); }; diff --git a/min/exi.saxs.min.js b/min/exi.saxs.min.js index 7098d15bc..327b57455 100644 --- a/min/exi.saxs.min.js +++ b/min/exi.saxs.min.js @@ -1,19 +1,20 @@ -function Exi(a){var b=this;if(this.headerCssClass="titlePanel",this.mainMenu=new MainMenu,this.anonymousMenu=null,this.userMenu=null,this.keepTabs=!1,this.controllers=[new ExiController,new ProposalExiController,new ShippingExiController],null!=a&&(null!=a.menu&&(this.mainMenu=a.menu,this.userMenu=a.menu),null!=a.anonymousMenu&&(this.anonymousMenu=a.anonymousMenu),null!=a.headerCssClass&&(this.headerCssClass=a.headerCssClass),null!=a.controllers))for(var c=0;c buffers' measurement needed for substraction automatically. "},{measurementsSelected:null},function(){var a={name:Ext.getCmp(d.id+"name").getValue(),comments:Ext.getCmp(d.id+"comments").getValue(),data:JSON.stringify(d.parseMeasurements(d.data.measurementsSelected))};d.onWizardFinished.notify(a)},function(){}),null!=c&&null!=c.noNext&&(this.noNext=c.noNext),this.noNext&&(this.onWizardFinished=new Event(this)),this.onWizardFinished=new Event(this)}function SampleAutomaticPositionFactory(a){this.samples=a}function MeasurementGrid(a){this.id=BUI.id()}function MolarityForm(a){this.id=BUI.id(),this.width=700,this.height=500,null!=a&&(null!=a.width&&(this.width=a.width),null!=a.height&&(this.height=a.height)),this.onSave=new Event(this),this.onClose=new Event(this)}function MolarityGrid(a){this.height=100,this.width=100,null!=a&&(null!=a.height&&(this.height=a.height),null!=a.width&&(this.width=a.width));var b=this;this.molarityForm=new MolarityForm({height:180,width:455}),this.molarityForm.onSave.attach(function(a){b.molarityWindow.destroy(),b.updateProposal()}),this.molarityForm.onClose.attach(function(a){b.molarityWindow.destroy()}),this.onEditButtonClicked=new Event(this)}function DataSet(){this.json=null}function GraphCanvas(a,b,c){this.args={},this.targetID=b.id,this.id=a,this.args.idGraph=this.id+"main",this.args.idBackgroundNode=this.id+"background",this.args.idEdgesGraph=this.id+"edges",this.args.idNodesGraph=this.id+"vertices",this.args.idLabelGraph=this.id+"label",this.args.idBackground=this.id+"background",this.dataset=null,this.formatter=null,this.layout=null,this.circleDefaultRadius=2,this.squareDefaultSide=1.5*this.circleDefaultRadius,this.arrowDefaultSize=this.circleDefaultRadius,this.GraphGroup=null,this.GraphNodeGroup=null,this.GraphLabelGroup=null,this.GraphBackground=null,this.args.draggingCanvasEnabled=!1,this.args.multipleSelectionEnabled=!1,this.args.interactive=!1,this.args.labeled=!1,this.args.linkEnabled=!1,this.args.maxNumberEdgesMoving=3,this.args.maxNumberEdgesFiringEvents=50,this.args.linking=!1,this.linkStartX=0,this.linkStartY=0,this.linkSVGNode=null,this.linkNodeSource=null,this.linkNodeTarget=null,this.draggingElement=null,this.dragging=!1,this.nMouseOffsetX=0,this.nMouseOffsetY=0,this.dragStartX=0,this.dragStartY=0,this.desplazamientoX=0,this.desplazamientoY=0,this.selecting=!1,this.selectorX=null,this.selectorY=null,this.selectorSVGNode=null,this.args.isVertexSelected={},this.args.selectedVertices=[],this.args.isEdgeSelected={},null!=c&&(null!=c.multipleSelectionEnabled&&(this.args.multipleSelectionEnabled=c.multipleSelectionEnabled,this.args.draggingCanvasEnabled=!this.args.multipleSelectionEnabled),null!=c.draggingCanvasEnabled&&(this.args.draggingCanvasEnabled=c.draggingCanvasEnabled,this.args.multipleSelectionEnabled=!this.args.draggingCanvasEnabled),null!=c.interactive&&(this.args.interactive=c.interactive),null!=c.labeled&&(this.args.labeled=c.labeled)),this.svgLabels={},this.onVertexOut=new Event(this),this.onVertexOver=new Event(this),this.onVertexSelect=new Event(this),this.onEdgeSelect=new Event(this),this.onCanvasClicked=new Event(this),this.onVertexUp=new Event(this)}function GraphDataset(){DataSet.prototype.constructor.call(this),this.edges=new Object,this.vertices=new Object,this.verticesIndex=new Object,this.newVertex=new Event(this),this.vertexNameChanged=new Event(this),this.vertexDeleted=new Event(this),this.newEdge=new Event(this),this.edgeNameChanged=new Event(this),this.edgeDeleted=new Event(this),this.json=new Object,this.json.vertices=new Array,this.json.edges=new Array,this.json.relations=new Array}function labels(){var a=new Array,b=interactomeViewer.graphEditorWidget.dataset,c=interactomeViewer.graphEditorWidget.layout;for(var d in interactomeViewer.graphEditorWidget.dataset.getVertices())a.push(interactomeViewer.graphEditorWidget.dataset.getVertexById(d).getName());var e=a.sort();console.log(e);for(var f=.01,g=.6,h=0;h0?b.specimenSelected=c[0]:b.specimenSelected=null,b.samplePlateGroupWidget.selectSpecimens(c)}),this.samplePlateGroupWidget=new SamplePlateGroupWidget({showTitle:!1,height:250,margin:5,bbar:!1}),this.samplePlateGroupWidget.onExperimentChanged.attach(function(a,c){b.load(new Experiment(c))}),this.samplePlateGroupWidget.onClick.attach(function(a,c){var d=c.row,e=c.column,f=c.samplePlate.samplePlateId;if(null!=b.specimenSelected)if(0==b.experiment.getSampleByPosition(c.samplePlate.samplePlateId,c.row,c.column).length){var g=b.experiment.getSampleById(b.specimenSelected.specimenId);null==g.sampleplateposition3VO&&(g.sampleplateposition3VO={}),g.sampleplateposition3VO={columnNumber:e,rowNumber:d,samplePlateId:f},b.samplePlateGroupWidget.panel.setLoading("ISPyB: Saving specimen");var h=function(a,c){b.samplePlateGroupWidget.panel.setLoading(!1),b.samplePlateGroupWidget.refresh(b.experiment),b.specimenGrid.refresh(b.experiment),b.specimenSelected=null,b.specimenGrid.deselectAll()};EXI.getDataAdapter({onSuccess:h}).saxs.specimen.saveSpecimen(g)}else{var i=b.experiment.getSampleByPosition(c.samplePlate.samplePlateId,c.row,c.column)[0],g=b.experiment.getSampleById(b.specimenSelected.specimenId);if(i==g)b.samplePlateGroupWidget.refresh(b.experiment),b.specimenSelected=null,b.specimenGrid.deselectAll();else if(g.bufferId==i.bufferId&&g.concentration==i.concentration){if(null!=g.macromolecule3VO&&null!=i.macromolecule3VO&&g.macromolecule3VO.macromoleculeId==i.macromolecule3VO.macromoleculeId||null==g.macromolecule3VO&&null==i.macromolecule3VO){var h=function(a,c){b.load(new Experiment(c)),b.samplePlateGroupWidget.panel.setLoading(!1),b.onExperimentChanged.notify(experiment)};b.samplePlateGroupWidget.panel.setLoading("ISPyB: Merging specimens"),EXI.getDataAdapter({onSuccess:h}).saxs.specimen.mergeSpecimens(g.specimenId,i.specimenId),b.specimenSelected=null,b.specimenGrid.deselectAll()}}else $.notify("Well is not empty. Select another well!","error")}else{var g=b.experiment.getSampleByPosition(c.samplePlate.samplePlateId,c.row,c.column)[0];null!=g&&b.specimenGrid.selectById(g.specimenId)}}),this.onExperimentChanged=new Event(this)}function StockSolutionForm(a){this.id=BUI.id(),this.actions=[],this.height=500,null!=a&&(null!=a.actions&&(this.actions=a.actions),null!=a.height&&(this.height=a.height)),this.onSaved=new Event(this)}function StockSolutionGrid(a){this.id=BUI.id(),this.tbar=!0,this.title="Stock Solutions",this.btnEditVisible=!0,this.btnRemoveVisible=!0,this.btnAddVisible=!0,this.btnAddExisting=!1,this.isPackedVisible=!0,this.btnUnpackVisible=!1,this.multiselect=!1,this.selectedStockSolutions=[],null!=a&&(null!=a.btnUnpackVisible&&(this.btnUnpackVisible=a.btnUnpackVisible),null!=a.multiselect&&(this.multiselect=a.multiselect),null!=a.height&&(this.height=a.height),null!=a.btnEditVisible&&(this.btnEditVisible=a.btnEditVisible),null!=a.btnAddVisible&&(this.btnAddVisible=a.btnAddVisible),null!=a.btnAddExisting&&(this.btnAddExisting=a.btnAddExisting),null!=a.width&&(this.width=a.width),null!=a.minHeight&&(this.minHeight=a.minHeight),null!=a.tbar&&(this.tbar=a.tbar),null!=a.btnRemoveVisible&&(this.btnRemoveVisible=a.btnRemoveVisible),null!=a.isPackedVisible&&(this.isPackedVisible=a.isPackedVisible),null!=a.showTitle&&(this.showTitle=a.showTitle,0==this.showTitle&&(this.title=null))),this.onSaved=new Event(this),this.onUnpack=new Event(this),this.onPack=new Event(this)}function TemplateGrid(a){this.height=500}function VolumeGrid(){this.id=BUI.id()}function WizardWidget(a){this.targetId=null,this.width=910,this.height=400,this.windowMode=!0,null!=a&&(null!=a.windowMode&&(this.windowMode=a.windowMode),null!=a.width&&(this.width=a.width)),this.step=0,this.forms=[],this.onFinished=new Event(this)}function TestController(){this.init()}function SampleForm(a){this.id=a}function TestContainer(){this.container=Ext.create("Ext.container.Container",{layout:{type:"hbox"},width:400,border:1,style:{borderColor:"#000000",borderStyle:"solid",borderWidth:"1px"},items:[]})}function TestListView(){this.title="Samples",ListView.call(this)}function TestMainPanel(){this.title="Samples",ListView.call(this)}function TestMainWidgetPanel(){this.title="Samples",ListView.call(this)}function PuckWidgetView(){this.queueGridList=[],this.widget=new FlexHCDWidget,this.title="Samples",MainView.call(this)}function TestMainView(a){MainView.call(this),this.crystalId=a,this.testMainPanel=new TestMainPanel,this.onSelect=new Event(this),this.onDeselect=new Event(this)}dust.helpers.decimal=function(a,b,c,d){if(d.key){var e=b.current()[d.key];if(e)if(null!=d.decimals)try{a.write(Number(e).toFixed(d.decimals))}catch(f){a.write(b.current()[d.key])}else a.write(b.current()[d.key])}else a.write("WARN: NO KEY SET");return a},dust.helpers.sizeOf=function(a,b,c,d){var e=this.size(a,b,c,d);return c&&c.block?a.render(c.block,b.push({isSelect:!0,isResolved:!1,selectKey:e})):e},dust.helpers.exponential=function(a,b,c,d){if(d.key){var e=b.current()[d.key];if(e)if(null!=d.decimals)try{a.write(Number(Number(e).toFixed(d.decimals)).toExponential())}catch(f){a.write(b.current()[d.key])}else a.write(b.current()[d.key])}else a.write("WARN: NO KEY SET");return a},dust.helpers.mmVolTest=function(a,b,c,d){var e=b.current().Subtraction_volumePorod;if(e)try{a.write(Number(e/2).toFixed(1)+" - "+Number(e/1.5).toFixed(1))}catch(f){a.write(b.current()[d.key])}return a},dust.helpers.framesColor=function(a,b,c,d){var e=b.current().Merge_framesMerge,f=b.current().Merge_framesCount,g="undefined";null==e||null==f?g="orange":(e/f>=.3&&(g="orange"),e/f>=.7&&(g="undefined"),.3>e/f&&(g="red"));try{a.write(g)}catch(h){a.write(b.current()[d.key])}return a},Exi.prototype.appendDataAdapterParameters=function(a){if(a||(a={}),EXI.credentialManager.getCredentials()[0]&&!EXI.credentialManager.getCredentials()[0].isValid())return void(location.hash="/welcome");var b=EXI.credentialManager.getConnections();return b.length>0&&(a.url=b[0].url,a.token=b[0].token,a.proposal=b[0].proposal),a},Exi.prototype.getDataAdapter=function(a){var b=new DataAdapterFactory(this.appendDataAdapterParameters(a));return b},Exi.prototype.setAnonymousMenu=function(){this.mainMenu=this.anonymousMenu,Ext.getCmp("mainMenu").removeAll(),Ext.getCmp("mainMenu").add(EXI.mainMenu.getPanel())},Exi.prototype.setUserMenu=function(){this.mainMenu=this.userMenu,Ext.getCmp("mainMenu").removeAll(),Ext.getCmp("mainMenu").add(EXI.mainMenu.getPanel())},Exi.prototype.loadSelected=function(a){},Exi.prototype.addMainPanel=function(a){this.keepTabs||Ext.getCmp("main_panel").removeAll(),Ext.getCmp("main_panel").add(a.getPanel()),Ext.getCmp("main_panel").setActiveTab(Ext.getCmp("main_panel").items.length-1)},Exi.prototype.getSelectedDataCollections=function(){for(var a=[],b=0;bExtended ISPyB'},Exi.prototype.show=function(){var a=this;Ext.application({name:"ExiSAXS",launch:function(){Ext.create("Ext.container.Viewport",{layout:"border",items:[{region:"north",xtype:"component",padding:10,height:75,html:a.getHeader(),cls:a.headerCssClass},{region:"north",cls:"toolbarPanel",id:"mainMenu",xtype:"panel",width:400,items:a.mainMenu.getPanel()},{xtype:"panel",id:"navigation",region:"west",width:250,split:!1,title:"Browse by",cls:"navigation",collapsible:!0,collapsed:!0},{region:"center",id:"main_panel",xtype:"tabpanel",cls:"navigation",plain:!0,items:[]},{region:"south",xtype:"panel",cls:"statusBar",bbar:a.mainStatusBar.getBar()}],listeners:{afterrender:function(b,c){a.mainMenu.populateCredentialsMenu(),a.onAfterRender.notify(),0==a.credentialManager.getCredentials()?a.setAnonymousMenu():(a.setUserMenu(),a.mainMenu.populateCredentialsMenu())}}})}})},MainStatusBar.prototype.getBar=function(){return this.statusBar=Ext.create("Ext.ux.StatusBar",{id:"main-status-bar",text:"Ready",iconCls:"accept",busyIconCls:"busy",busyText:this.busyText,cls:"statusBar",statusAlign:"right"}),this.statusBar},MainStatusBar.prototype.showBusy=function(a){null==a&&(a="Connecting to servers..."),this.statusBar.busyText=a,this.statusBar.showBusy()},MainStatusBar.prototype.showError=function(a){this.statusBar.clearStatus(),this.statusBar.setStatus({text:a,iconCls:"error"})},MainStatusBar.prototype.showReady=function(){this.statusBar.clearStatus(),this.statusBar.setStatus({text:"Ready",iconCls:"accept"})},ProposalManager.prototype.get=function(a){var b=this;if(null==localStorage.getItem("proposals")||a){var c=function(a,c){localStorage.setItem("proposals",JSON.stringify(c)),b.onActiveProposalChanged.notify()};EXI.getDataAdapter({async:!0,onSuccess:c}).proposal.proposal.getProposalsInfo()}return JSON.parse(localStorage.getItem("proposals"))},ProposalManager.prototype.clear=function(){localStorage.removeItem("proposals")},ProposalManager.prototype.getSessions=function(){if(null==localStorage.getItem("sessions")){var a=function(a,b){localStorage.setItem("sessions",JSON.stringify(b))};EXI.getDataAdapter({async:!1,onSuccess:a}).proposal.session.getSessions()}return JSON.parse(localStorage.getItem("sessions"))},ProposalManager.prototype.getFutureSessions=function(){for(var a=this.getSessions(),b=moment(),c=[],d=0;d=0&&($("#row-"+b+"-"+this.id).addClass("active-step").siblings().removeClass("active-step"),this.rowSelected.notify($("#row-"+b+"-"+this.id)[0].innerText))},BootstrapGrid.prototype.deselectAll=function(){$("#bootstrap-table-"+this.id).find(".clickable-row").removeClass("active-step")},BootstrapGrid.prototype.getHTML=function(){var a="";return dust.render(this.template,this.data,function(b,c){a=c}),"
    "+a+"
    "},BootstrapGrid.prototype.load=function(a){this.data=a,this.data.id=this.id,$("#bootstrap-grid"+this.id).length&&(this.panel.setTitle(a.header),$("#bootstrap-grid"+this.id).html(this.getHTML()),this.setClickListeners())},MainMenu.prototype.getMenuItems=function(){return[]},MainMenu.prototype.getHomeItem=function(){return{text:this._convertToHTMLWhiteSpan("Home"),cls:"ExiSAXSMenuToolBar",icon:"../images/icon/rsz_ic_home_black_24dp.png",handler:function(){if(null!=EXI.credentialManager.getCredentials())if(EXI.credentialManager.getCredentials().length>0){var a=EXI.credentialManager.getCredentials()[0].username,b=EXI.credentialManager.getCredentialByUserName(EXI.credentialManager.getCredentials()[0].username);b.isManager()?location.hash="/welcome/manager/"+a+"/main":location.hash="/welcome/user/"+a+"/main"}else BUI.showError("You should sign up");else BUI.showError("You should sign up")}}},MainMenu.prototype.getShipmentItem=function(){function a(a,b){"Shipments"==a.text&&(location.hash="/proposal/shipping/nav"),"Manage shipping addresses"==a.text&&(location.hash="/proposal/addresses/nav"),"Shipment List"==a.text&&(location.hash="/proposal/shipping/nav")}function b(){function a(a,b){"Stock Solutions"==a.text&&(location.hash="/saxs/stocksolution/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"Stock Solutions",icon:"../images/icon/testtube.png",handler:a}]})}return{text:this._convertToHTMLWhiteSpan("Shipment"),cls:"ExiSAXSMenuToolBar",disabled:!0,menu:Ext.create("Ext.menu.Menu",{items:[{text:"BioSAXS",icon:"../images/icon/macromolecule.png",menu:b()},{text:"Manage shipping addresses",icon:"../images/icon/contacts.png",handler:a},{text:"Shipments",icon:"../images/icon/shipping.png",handler:a}]})}},MainMenu.prototype.getHelpMenu=function(){function a(a,b){"ISPyB Web services API Map"==a.text&&window.open("/exi/documentation/ispyb-api-ws/print.html"),"Job list"==a.text&&(location.hash="/tool/list")}return Ext.create("Ext.menu.Menu",{items:[{text:"Developer",checked:!1,group:"theme",menu:{items:[{text:"ISPyB Web services API Map",handler:a},{text:"How to retrieve data from ISPyB?",handler:a},{text:"EXI Router",handler:a},{text:"EXI List Views Objects",handler:a},{text:"EXI Main View Objects",handler:a}]}},"-",{text:"About",checked:!1,group:"theme",handler:a}]})},MainMenu.prototype.getAddCredentialMenu=function(){return null!=EXI.credentialManager.getCredentials()&&EXI.credentialManager.getCredentials().length>0?{icon:"../images/icon/rsz_1ic_input_black_24dp.png",height:30,text:"Add",handler:function(){window.location.href="#/login"}}:void 0},MainMenu.prototype.populateCredentialsMenu=function(){this.credentialsMenu.removeAll();var a="";if(null!=EXI.credentialManager.getCredentials())for(var b=0;b0)for(var c=0;c0?(Ext.getCmp(this.loginButtonId).setText("Log out "+a+" "),Ext.getCmp(this.loginButtonId).setIcon("../images/rsz_logout.png")):(Ext.getCmp(this.loginButtonId).setText("Sign In"),Ext.getCmp(this.loginButtonId).setIcon("../images/rsz_login.png"))},MainMenu.prototype._convertToHTMLWhiteSpan=function(a){return''+a+""},MainMenu.prototype.isLoggedIn=function(){return EXI.credentialManager.getCredentials().length>0},MainMenu.prototype.getLoginButton=function(){var a="../images/rsz_login.png",b=this._convertToHTMLWhiteSpan("Sign In");return EXI.credentialManager.getCredentials().length>0&&(a="../images/rsz_logout.png",b=this._convertToHTMLWhiteSpan("log out")),{xtype:"splitbutton",id:this.loginButtonId,text:b,cls:"button_log_out",icon:a,menu:this.credentialsMenu,handler:function(){0==EXI.credentialManager.getCredentials().length?location.hash="/login":location.hash="/logout"}}},MainMenu.prototype.getPanel=function(){var a=this;this.credentialsMenu=new Ext.menu.Menu({id:a.id+"menu",items:[a.getAddCredentialMenu()]});var b=this.getMenuItems();return b.push("->"),b.push(this.getLoginButton()),this.tb=Ext.create("Ext.toolbar.Toolbar",{cls:this.cssClass,items:b}),this.tb},ListView.prototype.getSorters=function(){return{}},ListView.prototype.getFilter=function(a){return null},ListView.prototype.load=function(a){this.data=a,null!=this.formatData?this.store.loadData(this.formatData(a)):this.store.loadData(a)},ListView.prototype.getColumns=function(){var a=this;return[{text:this.title,flex:1,dataIndex:"shippingId",renderer:function(b,c,d){return a.getRow(d)}}]},ListView.prototype.getFields=function(){return[]},ListView.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{fields:this.getFields(),data:[],sorters:this.sorters,proxy:{type:"memory",reader:{type:"json"}}}),this.panel=Ext.create("Ext.grid.Panel",{store:this.store,layout:"fit",columns:this.getColumns(),width:this.width,height:this.height,multiSelect:!0,dockedItems:[{xtype:"toolbar",dock:"bottom",cls:"x-toolbar",height:42,items:[{xtype:"textfield",name:"searchField",hideLabel:!0,width:200,hidden:null==a.getFilter(),emptyText:"Search...",listeners:{change:function(b,c){var d=b.getValue();""!=d?a.store.filter(a.getFilter(d)):(a.store.clearFilter(!0),a.load(a.data))}}}]}],viewConfig:{emptyText:"No items to display",enableTextSelection:!0,preserveScrollOnRefresh:!0,stripeRows:!0}}),this.panel.on("selectionchange",function(b,c){var d=[];for(var e in c)d.push(c[e].data);a.onSelect.notify(d)}),this.panel},AddressListView.prototype.getPanel=ListView.prototype.getPanel,AddressListView.prototype.load=ListView.prototype.load,AddressListView.prototype.getFields=ListView.prototype.getFields,AddressListView.prototype.getColumns=ListView.prototype.getColumns,AddressListView.prototype.getFilter=function(a){return[{property:"cardName",value:a,anyMatch:!0}]},AddressListView.prototype.getRow=function(a){var b="";return dust.render("address.listview",a.data,function(a,c){b=c}),b},RunListView.prototype.getPanel=ListView.prototype.getPanel,RunListView.prototype.load=ListView.prototype.load,RunListView.prototype.getFilter=function(a){return[{property:"name",value:a,anyMatch:!0}]},RunListView.prototype.formatStatus=function(a){return"FINISHED"==a?""+a+"":""+a+""},RunListView.prototype.formatJobs=function(a){for(var b="",c=0;c";return b+"
    "+a[c].name+"
    "},RunListView.prototype.getRow=function(a){var b="";return b=b+"",b=b+"",b=b+"",b=b+"",b+"
    Name:"+a.data.name+"
    Status:"+this.formatStatus(a.data.status)+"
    Jobs:"+this.formatJobs(a.data.jobs)+"
    Date:"+a.data.creationDate+"
    "},RunListView.prototype.getColumns=function(){var a=this;return[{text:"Jobs",flex:1,dataIndex:"sessionId",renderer:function(b,c,d){return a.getRow(d)}}]},RunListView.prototype.getFields=function(){return["name","status","creationDate","jobs"]},SessionListView.prototype.getPanel=ListView.prototype.getPanel,SessionListView.prototype.load=ListView.prototype.load,SessionListView.prototype.getFilter=function(a){return[{property:"beamlineName",value:a,anyMatch:!0}]},SessionListView.prototype.formatData=function(a){for(var b=0;ba/b)return""+a+"/"+b+"";if(.7>a/b)return""+a+"/"+b+""}return a+"/"+b}function b(a){"yes"==a&&exiSAXS.localExtorage.selectedSubtractionsManager.remove(record.data)}return this.selection=Ext.create("Ext.data.Store",{fields:["subtractionId","scattering","macromoleculeAcronym","concentration","framesMerge","framesCount","exposureTemperature"]}),this.selectionGrid=Ext.create("Ext.grid.Panel",{store:this.selection,title:"Selection",emptyText:"No selection",tbar:this.selectionMenu.getPanel(),columns:[{text:"",dataIndex:"scattering",renderer:function(a,b,c){return"'}},{text:"",dataIndex:"macromoleculeAcronym",flex:.8,renderer:function(b,c,d){return d.data.macromoleculeAcronym+"
    "+BUI.formatValuesUnits(d.data.concentration,"mg/ml",7,2)+"
    "+d.data.exposureTemperature+" C
    "+a(d.data.framesMerge,d.data.framesCount)}},{text:"",id:"remove",dataIndex:"scattering",width:50,renderer:function(a){return'
    '}}],width:200,listeners:{cellclick:function(a,c,d,e,f,g,h,i){2==d&&Ext.Msg.show({title:"Discard subtraction?",msg:"Your are discarding a selected subtraction. You may re-add it afterwards. Would you like to discard it?",buttons:Ext.Msg.YESNO,icon:Ext.Msg.QUESTION,fn:b,height:150})}}}),this.selectionGrid},WorkSpaceListView.prototype.getProjectPanel=function(){return this.projectStore=Ext.create("Ext.data.Store",{fields:["name"]}),this.projectGrid=Ext.create("Ext.grid.Panel",{store:this.projectStore,title:"Projects",emptyText:"No projects",columns:[{text:"Name",dataIndex:"name",flex:1,renderer:function(a,b,c){var d=""+c.data.name+"
    "+c.data.description+"";return null!=c.data.subtractions&&(d=d+"
    "+c.data.subtractions.length+" datasets selected"),d}}],height:200}),this.projectGrid},WorkSpaceListView.prototype.getRunPanel=function(){var a=this;return this.runStore=Ext.create("Ext.data.Store",{fields:["name"]}),this.runGrid=Ext.create("Ext.grid.Panel",{store:this.runStore,title:"Run",emptyText:"No Runs",minHeight:600,dockedItems:[{xtype:"toolbar",dock:"bottom",ui:"footer",items:[{xtype:"component",flex:1},{xtype:"button",text:"Refresh",handler:function(b,c,d){a.loadRuns()}}]}],columns:[{text:"Name",dataIndex:"name",flex:1,renderer:function(a,b,c){var d=c.data.jobs,e="";if(e=e+"",e=e+"",e=e+"",null!=d)for(var f=0;f";return e+"
    "+c.data.name+"
    "+c.data.status+"
    "+c.data.creationDate+"
    "+d[f].name+""+d[f].status+"
    "}}],height:200}),this.runGrid.on("select",function(b,c,d,e){location.hash="/project/"+a.projectId+"/run/"+c.data.internalId+"/main"}),this.runGrid},WorkSpaceListView.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{layout:"fit",autoScroll:!0,defaults:{bodyStyle:"padding:15px"},items:[a.getSelectionPanel(),a.getProjectPanel(),a.getRunPanel()]}),this.panel},Credential.prototype.isManager=function(){return this._checkRole("manager")},Credential.prototype.isLocalContact=function(){return this._checkRole("localcontact")},Credential.prototype._checkRole=function(a){return-1!=JSON.stringify(this.roles).toLowerCase().indexOf(a)},Credential.prototype.isValid=function(){return this.timeToExpire()>0},Credential.prototype.timeToExpire=function(){return moment.duration(moment(this.tokenExpires).diff(moment())).asHours()},CredentialManager.prototype.addCredential=function(a,b,c,d,e,f){var g=moment().add(3,"hour"),h=new Credential(a,b,c,d,e,[],g,f);null==localStorage.getItem("credentials")&&localStorage.setItem("credentials","[]");var i=this.getCredentials();i.push(h),localStorage.setItem("credentials",JSON.stringify(i)),this.onLogin.notify(h)},CredentialManager.prototype.credentialToObject=function(a){return new Credential(a.username,a.roles,a.token,a.url,a.exiUrl,a.activeProposals,a.tokenExpires,a.properties)},CredentialManager.prototype.getCredentials=function(){var a=[];null!=JSON.parse(localStorage.getItem("credentials"))&&(a=JSON.parse(localStorage.getItem("credentials")));for(var b=0;b0)for(var d=0;d0?b[0]:void 0},CredentialManager.prototype.logout=function(a,b,c,d){localStorage.removeItem("credentials"),this.onLogout.notify()},CredentialManager.prototype.setActiveProposal=function(a,b){for(var c=this.getCredentials(),d=0;d",{icon:"../images/icon/person.png",border:0},{xtype:"textfield",name:"field1",width:300,emptyText:"search by local contact",listeners:{specialkey:function(b,c){c.getKey()==c.ENTER&&a.displaySessionsByBeamlineOperator(b.getValue())}}}]})},ManagerWelcomeMainView.prototype.searchProposalByTerm=function(a){var b=[];if(null!=this.proposals)for(var c=0;cDownload"}}]})},RunMainView.prototype.getGeneralContainerList=function(a){var b="
      ";return b=b+"
    • Name: "+a.name+"
    • ",b=b+"
    • Status: "+a.status+"
    • ",b=b+"
    • "+a.creationDate+"
    • "},RunMainView.prototype.getGeneralContainer=function(a){return{xtype:"panel",title:"General",margin:10,border:1,style:{borderColor:"gray",borderStyle:"solid",borderWidth:"1px"},items:[{html:this.getGeneralContainerList(a),margin:"10 0 0 50"}]}},RunMainView.prototype.getMainPanel=function(){},RunMainView.prototype.getTabs=function(){return Ext.createWidget("tabpanel",{plain:!0,margin:"20 0 0 0",items:[this.getMainPanel(),{tabConfig:{title:"Output Files"},items:[{xtype:"container",layout:"fit",height:700,padding:20,cls:"border-grid",items:[this.getOutputPanel()]}]}]})},RunMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"anchor"},defaults:{anchor:"100%",hideEmptyLabel:!1},margin:5,bodyStyle:{"background-color":"#E6E6E6"},items:[this.getTabs()]})},RunMainView.prototype.loadMain=function(a){},RunMainView.prototype.load=function(a){if(null!=a){this.panel.setTitle(a.name);for(var b=[],c=0;c "+c+""};-1==c[0].data.name.indexOf(".mtz")?EXI.getDataAdapter({onSuccess:d}).exi.offline.getFileContent(c[0].data.targetId):d(this,"No text available")}}});return Ext.create("Ext.grid.Panel",{title:"Files",store:this.filesStore,selModel:b,cls:"border-grid",height:400,columns:[{text:"Name",dataIndex:"name",flex:1}]})},DimpleRunMainView.prototype.getMainPanel=function(){var a=Ext.create("Ext.data.Store",{fields:["key","value"]});return this.generalGrid=Ext.create("Ext.grid.Panel",{title:"General",store:a,layout:"fit",columns:[{text:"Name",dataIndex:"name"},{text:"Seniority",dataIndex:"seniority"}],flex:1}),{tabConfig:{title:"Dimple"},items:[{xtype:"container",height:700,cls:"border-grid",items:[{xtype:"container",layout:"hbox",items:[{xtype:"container",layout:"fit",flex:.4,margin:5,items:[this.getFilesGrid(),{html:"
      "},{html:'
      '}]},{xtype:"container",layout:"fit",flex:.6,margin:5,height:400,cls:"border-grid",items:[{html:'
      '}]}]},{xtype:"container",margin:5,height:210,layout:"fit",flex:1,items:[{html:'
      '}]}]}]}},DimpleRunMainView.prototype.loadBlobs=function(a){var b=[],c=0;for(c=0;c0)for(var b=0;b
      ',height:600,border:0,width:600},this.subpanel],listeners:{afterrender:function(){_this.showCalendar([])}}}),this.panel},SessionMainView.prototype.showCalendar=function(a){function b(a){c.loadByDate(moment(new Date(a.startDate)).format("YYYYMMDD"))}var c=this;$("#"+c.id).empty(),$("#"+this.id).calendar({enableContextMenu:!0,enableRangeSelection:!0,selectRange:function(a){b({startDate:a.startDate,endDate:a.endDate})},mouseOnDay:function(a){if(a.events.length>0){var b="";for(var c in a.events)b+="
      "+a.events[c].name+"
      "+a.events[c].location+"
      ";$(a.element).popover({trigger:"manual",container:"body",html:!0,content:b}),$(a.element).popover("show")}},mouseOutDay:function(a){a.events.length>0&&$(a.element).popover("hide")},dayContextMenu:function(a){$(a.element).popover("hide")},dataSource:a})},SessionMainView.prototype.getBadge=function(a,b){return b&&0!=b?""+a+' '+b+"
      ":""; -},SessionMainView.prototype.getLocation=function(a){var b=this.getBadge("Collect",a.dataCollectionGroupCount);return b+=this.getBadge("Images",a.imagesCount),b+=this.getBadge("XRF",a.xrfSpectrumCount),b+=this.getBadge("Energy",a.energyScanCount),b+this.getBadge("Sample",a.sampleCount)},SessionMainView.prototype.load=function(a){for(var b=[],c=0;c0){var e=EXI.proposalManager.getProposals()[0];e.sessionCount=a.length,dust.render("welcomemainviewproposalheader",e,function(a,b){$("#"+d.id+"_header").html(b),d.panel.insert(0,{html:b,border:0,margin:"10 0 0 10",width:600})})}},SessionMainView.prototype.loadByDate=function(a){function b(a,b){c.sessionGrid.load(b),c.panel.setLoading(!1)}var c=this;this.panel.setLoading(!0);var d=EXI.credentialManager.getCredentials()[0].activeProposals[0],e=moment(a,"YYYYMMDD").format("YYYYMMDD");EXI.getDataAdapter({onSuccess:b}).proposal.session.getSessionsByProposalAndDate(a,e,d)},CaseForm.prototype.fillStores=function(){var a=this;this.panel.setLoading("Loading Labcontacts from database");var b=BUI.getProposal();b.onDataRetrieved.attach(function(b,c){a.labContactForSendingStore.loadData(c,!1),a.labContactForReturnStore.loadData(c,!1),a.panel.setLoading(!1)}),b.getLabContactsByProposalId()},CaseForm.prototype.refresh=function(a){this.setDewar(a)},CaseForm.prototype.getDewar=function(){return this.dewar.code=Ext.getCmp(this.id+"dewar_code").getValue(),this.dewar.comments=Ext.getCmp(this.id+"dewar_comments").getValue(),this.dewar.transportValue=Ext.getCmp(this.id+"dewar_transportValue").getValue(),this.dewar.storageLocation=this.storageLocationComboBox.getValue(),this.dewar},CaseForm.prototype.setDewar=function(a){this.dewar=a,null==this.dewar&&(this.dewar={},this.dewar.code="",this.dewar.transportValue="",this.dewar.storageLocation="",this.dewar.comments=""),Ext.getCmp(this.id+"dewar_code").setValue(this.dewar.code),Ext.getCmp(this.id+"dewar_comments").setValue(this.dewar.comments),Ext.getCmp(this.id+"dewar_transportValue").setValue(this.dewar.transportValue),this.storageLocationComboBox.setValue(this.dewar.storageLocation)},CaseForm.prototype.getStorageLocationCombo=function(){return this.storageLocationComboBox=BIOSAXS_COMBOMANAGER.getComboStorageTemperature(),this.storageLocationComboBox},CaseForm.prototype.getPanel=function(a){return this.panel=Ext.create("Ext.form.Panel",{width:this.width-10,padding:10,height:320,items:[{xtype:"container",margin:"2 2 2 2",collapsible:!1,defaultType:"textfield",layout:"anchor",items:[{xtype:"container",layout:"vbox",items:[{xtype:"requiredtextfield",fieldLabel:"Name",allowBlank:!1,name:"code",id:this.id+"dewar_code",labelWidth:200,width:500}]},this.getStorageLocationCombo(),{xtype:"numberfield",width:500,labelWidth:200,margin:"10 0 0 0",fieldLabel:"Transport Value",id:this.id+"dewar_transportValue"},{xtype:"textareafield",name:"comments",fieldLabel:"Comments",labelWidth:200,width:500,margin:"10 0 0 0",height:100,id:this.id+"dewar_comments"}]}]}),this.refresh(a),this.panel},ContainerSpreadSheet.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{layout:"vbox",height:this.height+50,items:[{html:'
      ',margin:"20 0 20 10",height:this.height,width:this.width,autoScroll:!0,resizable:!0}]}),this.panel},ContainerSpreadSheet.prototype.getSamplesData=function(a){function b(a,b){for(var c=0;cAcronym",id:"Protein Acronym",column:{width:60,type:"dropdown",source:this.getAcronyms()}},{text:"Sample
      Name",id:"Sample Name",column:{width:120}},{text:"Space
      Group",id:"Space Group",column:{width:90,type:"dropdown",source:this.getSpaceGroups()}},{text:"Exp.
      Type",id:"Experiment Type",column:{width:80,type:"dropdown",source:["Default","MXPressE","MXPressO","MXPressI","MXPressE_SAD","MXScore","MXPressM"]}},{text:"Pin
      BarCode",id:"Pin BarCode",column:{width:45}},{text:"Pre-observed
      resolution",id:"Pre-observed resolution",column:{width:45}},{text:"Needed
      resolution",id:"Needed resolution",column:{width:45}},{text:"Pref.
      Diameter",id:"Pref. Diameter",column:{width:45}},{text:"Number Of
      positions",id:"Number Of positions",column:{width:45}},{text:"Radiation
      Sensitivity",id:"Radiation Sensitivity",column:{width:60}},{text:"Required
      multiplicity",id:"Required multiplicity",column:{width:60}},{text:"Required
      Completeness",id:"Required Completeness",column:{width:60}},{text:"A",id:"Unit cell A",column:{width:40}},{text:"B",id:"Unit cell B",column:{width:40}},{text:"C",id:"Unit cell C",column:{width:40}},{text:"α",id:"Unit cell Alpha",column:{width:40}},{text:"β",id:"Unit cell Beta",column:{width:40}},{text:"γ",id:"Unit cell Gamma",column:{width:40}},{text:"Smiles",id:"Required Completeness",column:{width:45}},{text:"Comments",id:"Comments",column:{width:45}}]},ContainerSpreadSheet.prototype.getHeaderWidth=function(){for(var a=this.getHeader(),b=[],c=0;c0&&(f=g[0]),f.name=c[e]["Sample Name"],f.smiles=c[e].Smiles,f.location=c[e].location,f.comments=c[e].Comments;var h=[];null==f.crystalVO?(f.crystalVO={},h=EXI.proposalManager.getProteinByAcronym(c[e]["Protein Acronym"]),null!=h&&(f.crystalVO.proteinVO=h[0])):(h=EXI.proposalManager.getProteinByAcronym(c[e]["Protein Acronym"]),null!=h&&(f.crystalVO.proteinVO=h[0])),f.crystalVO.spaceGroup=c[e]["Space Group"],f.crystalVO.cellA=Number(c[e]["Unit cell A"]),f.crystalVO.cellB=Number(c[e]["Unit cell B"]),f.crystalVO.cellC=Number(c[e]["Unit cell C"]),f.crystalVO.cellAlpha=Number(c[e]["Unit cell Alpha"]),f.crystalVO.cellBeta=Number(c[e]["Unit cell Beta"]),f.crystalVO.cellGamma=Number(c[e]["Unit cell Gamma"]),f.diffractionPlanVO={},f.diffractionPlanVO.radiationSensitivity=Number(c[e]["Radiation Sensitivity"]),f.diffractionPlanVO.requiredCompleteness=Number(c[e]["Required Completeness"]),f.diffractionPlanVO.requiredMultiplicity=Number(c[e]["Required multiplicity"]),f.diffractionPlanVO.requiredResolution=Number(c[e]["Needed resolution"]),f.diffractionPlanVO.observedResolution=Number(c[e]["Pre-observed resolution"]),f.diffractionPlanVO.preferredBeamDiameter=Number(c[e]["Pref. Diameter"]),f.diffractionPlanVO.numberOfPositions=Number(c[e]["Number Of positions"]),f.diffractionPlanVO.experimentKind=c[e]["Experiment Type"],d.push(f)}return b.sampleVOs=d,b},ContainerSpreadSheet.prototype.parseTableData=function(){for(var a=[],b=this.spreadSheet.getData(),c=0;c0&&a.push(d)}for(var h=[],i=0;iAre you sure you want to continue?",buttons:Ext.MessageBox.YESNO,fn:b,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})}},"->",{text:"Save",width:100,height:30,handler:function(){a.save()}}]},PuckForm.prototype.removePuck=function(){var a=this;this.panel.setLoading();var b=function(b,d){a.panel.setLoading(!1),a.onRemoved.notify(c)},c=this.puck.containerId;EXI.getDataAdapter({onSuccess:b}).proposal.shipping.removeContainerById(c,c,c)},PuckForm.prototype.save=function(){var a=this;this.panel.setLoading("Saving Puck");var b=this.containerSpreadSheet.getPuck();b.code=Ext.getCmp(a.id+"puck_name").getValue(),b.capacity=a.capacityCombo.getValue();var c=function(b,c){a.panel.setLoading(!1),EXI.setError(c.responseText)},d=function(b,c){a.panel.setLoading(!1),a.load(c),a.onSaved.notify(c)};EXI.getDataAdapter({onSuccess:d,onError:c}).proposal.shipping.saveContainer(this.puck.containerId,this.puck.containerId,this.puck.containerId,b)},PuckForm.prototype.containerTypeChanged=function(a){this.puck.capacity=a;var b=this.containerSpreadSheet.spreadSheet.getData();if(b.length=c;c++)b.push([c]);else b=b.slice(0,a);this.containerSpreadSheet.spreadSheet.loadData(b)},PuckForm.prototype.getPanel=function(){var a=this,b=BIOSAXS_COMBOMANAGER.getComboPuckType({margin:"10 0 10 5",labelWidth:100,width:250});return b.on("select",function(b,c){var d=c[0].data.value;a.containerTypeChanged(d)}),this.capacityCombo=b,this.panel=Ext.create("Ext.panel.Panel",{buttons:this.getToolBar(),items:[{xtype:"container",margin:"5 0 2 5",layout:"hbox",items:[{xtype:"container",margin:"12 0 2 0",layout:"vbox",items:[{xtype:"requiredtextfield",id:this.id+"puck_name",fieldLabel:"Name",name:"name",width:250,margin:"0 0 0 5",labelWidth:100},this.capacityCombo,{xtype:"textfield",id:this.id+"puck_beamline",fieldLabel:"Beamline",width:250,disabled:!0,margin:"0 0 0 5",labelWidth:100},{xtype:"textfield",id:this.id+"puck_sampleChangerLocation",fieldLabel:"#Sample Changer",width:250,disabled:!0,margin:"0 0 0 5",labelWidth:100},{xtype:"textfield",id:this.id+"puck_status",fieldLabel:"Status",width:250,disabled:!0,margin:"0 0 0 5",labelWidth:100}]}]},this.containerSpreadSheet.getPanel()]}),this.panel},ShipmentForm.prototype.fillStores=function(){this.panel.setLoading("Loading Labcontacts from database");var a=EXI.proposalManager.getLabcontacts();this.labContactForSendingStore.loadData(a,!1),a.sort(function(a,b){return a.cardNameb.cardName?1:0}),$.extend(a,[{cardName:"Same as for shipping to beamline",labContactId:-1},{cardName:"No return requested",labContactId:0}]),this.labContactForReturnStore.loadData(a,!1),this.labContactsReturnCombo.setValue(-1),this.panel.setLoading(!1),null!=this.shipment&&this.setShipment(this.shipment)},ShipmentForm.prototype.draw=function(a){this.getPanel().render(a)},ShipmentForm.prototype.load=function(a){this.shipment=a;var b=this;if(Ext.getCmp(b.id+"shippingName").setValue(a.shippingName),Ext.getCmp(b.id+"comments").setValue(a.comments),null!=a.sendingLabContactVO&&this.labContactsSendingCombo.setValue(a.sendingLabContactVO.labContactId),null==a.returnLabContactVO?this.labContactsReturnCombo.setValue(0):a.returnLabContactVO.labContactId==a.sendingLabContactVO.labContactId?this.labContactsReturnCombo.setValue(-1):this.labContactsReturnCombo.setValue(a.returnLabContactVO.labContactId),null!=a.sessions&&a.sessions.length>0){var c=a.sessions[0];this.sessionComboBox.setValue(c.sessionId)}},ShipmentForm.prototype._saveShipment=function(){var a=this,b=null;null!=this.shipment&&(b=this.shipment.shippingId);var c=this.labContactsSendingCombo.getValue(),d=this.labContactsReturnCombo.getValue();if(null==c)return void BUI.showError("User contact information for shipping to beamline is mandatory");0==this.labContactsReturnCombo.getValue()&&(d=0),-1==this.labContactsReturnCombo.getValue()&&(d=-1);var e=EXI.proposalManager.getLabcontactById(c),f={shippingId:b,name:Ext.getCmp(a.id+"shippingName").getValue(),status:"Not set",sendingLabContactId:c,returnLabContactId:d,returnCourier:d,courierAccount:e.courierAccount,billingReference:e.billingReference,dewarAvgCustomsValue:e.dewarAvgCustomsValue,dewarAvgTransportValue:e.dewarAvgTransportValue,comments:Ext.getCmp(a.id+"comments").getValue(),sessionId:this.sessionComboBox.getValue()},g=function(b,c){location.hash="#/shipping/"+c.shippingId+"/main",a.panel.setLoading(!1),a.onSaved.notify(c)};return""==f.name?void BUI.showError("Name field is mandatory"):null==f.sendingLabContactId?void BUI.showError("Lab contact for sending field is mandatory"):(this.panel.setLoading(),void EXI.getDataAdapter({onSuccess:g}).proposal.shipping.saveShipment(f))},ShipmentForm.prototype.getPanel=function(){var a=this,b='*',c=[];return a.creationMode?c.push({text:"Create",scope:this,handler:function(){a._saveShipment()}}):c.push({text:"Save",scope:this,handler:function(){a._saveShipment()}}),this.labContactForSendingStore=Ext.create("Ext.data.Store",{fields:["cardName","labContactId"],sorters:"cardName"}),this.labContactForReturnStore=Ext.create("Ext.data.Store",{fields:["cardName","labContactId"]}),this.labContactsSendingCombo=Ext.create("Ext.form.ComboBox",{id:a.id+"shipmentform_sendingLabContactId",fieldLabel:"Shipping Card to ESRF",afterLabelTextTpl:b,store:this.labContactForSendingStore,queryMode:"local",labelWidth:200,width:600,margin:"10 0 0 10",displayField:"cardName",valueField:"labContactId"}),this.labContactsReturnCombo=Ext.create("Ext.form.ComboBox",{id:a.id+"returnLabContactId",fieldLabel:"Shipping Card to HOME",afterLabelTextTpl:b,store:this.labContactForReturnStore,queryMode:"local",margin:"10 0 0 10",labelWidth:200,width:600,displayField:"cardName",valueField:"labContactId"}),this.sessionComboBox=BIOSAXS_COMBOMANAGER.getComboSessions(EXI.proposalManager.getSessions(),{margin:"10 0 0 10",width:400,labelWidth:200}),null==this.panel&&(this.panel=Ext.create("Ext.form.Panel",{layout:"hbox",width:this.width,margin:10,bodyPadding:5,cls:"border-grid",buttons:c,items:[{xtype:"container",layout:"vbox",items:[{xtype:"requiredtextfield",fieldLabel:"Name",allowBlank:!1,labelWidth:200,width:400,margin:"10 20 0 10",name:"shippingName",id:a.id+"shippingName",value:""},this.sessionComboBox]},{xtype:"textareafield",name:"comments",id:a.id+"comments",fieldLabel:"Comments",value:"",labelWidth:200,margin:"10 20 0 10",width:500},{xtype:"container",layout:"vbox",items:[this.labContactsSendingCombo,this.labContactsReturnCombo]}]})),this.fillStores(),this.panel},ShippingMainView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"vbox",align:"center"},cls:"border-grid",items:[this.shipmentForm.getPanel(),this.parcelGrid.getPanel()]}),this.panel},ShippingMainView.prototype.load=function(a){var b=this;if(this.shippingId=a,null==a&&Ext.getCmp(this.id+"grid").disable(!0),this.panel.setTitle("Shipment"),null!=a){this.panel.setLoading();var c=function(a,c){b.shipmentForm.load(c),b.parcelGrid.load(c),b.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).proposal.shipping.getShipment(a)}},ShippingMainViewTest.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"vbox",align:"center"},cls:"border-grid",items:[this.shipmentForm.getPanel(),this.parcelGrid.getPanel()]}),this.panel},ShippingMainViewTest.prototype.load=function(a){var b=this;if(this.shippingId=a,null==a&&Ext.getCmp(this.id+"grid").disable(!0),this.panel.setTitle("Shipment"),null!=a){this.panel.setLoading();var c=function(a,c){b.shipmentForm.load(c),b.parcelGrid.load(c),b.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).proposal.shipping.getShipment(a)}},WelcomeMainView.prototype.getPanel=MainView.prototype.getPanel,WelcomeMainView.prototype.getContainer=function(){return{layout:{type:"fit"},items:[{html:"",margin:"50 0 0 50"}]}},WelcomeMainView.prototype.load=function(){},AuthenticationForm.prototype.show=function(){this.window=Ext.create("Ext.window.Window",{title:"Login",height:250,closable:!1,width:450,modal:!0,layout:"fit",items:[this.getPanel()]}),this.window.show()},AuthenticationForm.prototype.getAuthenticationForm=function(){if(ExtISPyB.sites&&ExtISPyB.sites.length>1){var a=Ext.create("Ext.data.Store",{fields:["name","url","exiUrl"],data:ExtISPyB.sites});return{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"User",name:"user",margin:"10 0 0 10",allowBlank:!1},{xtype:"textfield",fieldLabel:"Password",margin:"10 0 0 10",name:"password",allowBlank:!1,inputType:"password"},{xtype:"combo",fieldLabel:"Choose site",name:"site",store:a,allowBlank:!1,valueField:"url",displayField:"name",margin:"10 0 0 10"}]}}return{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"User",name:"user",margin:"30 0 0 10",allowBlank:!1},{xtype:"textfield",fieldLabel:"Password",margin:"10 0 0 10",name:"password",allowBlank:!1,inputType:"password"}]}},AuthenticationForm.prototype.getIconForm=function(){return this.singleSite?{xtype:"image",src:this.site.icon,width:75,height:75,margin:"30 0 0 10"}:void 0},AuthenticationForm.prototype.getPanel=function(){var a=this;return ExtISPyB.sites&&1==ExtISPyB.sites.length&&(this.singleSite=!0,this.siteURL=ExtISPyB.sites[0].url,this.site=ExtISPyB.sites[0],this.icon=ExtISPyB.sites[0].icon),Ext.create("Ext.form.Panel",{bodyPadding:5,width:370,layout:"vbox",defaults:{anchor:"90%"},defaultType:"textfield",items:[{xtype:"container",layout:"hbox",items:[this.getIconForm(),this.getAuthenticationForm()]}],buttons:[{text:"Login",formBind:!0,disabled:!0,handler:function(){var b=this.up("form").getForm(),c=null;a.singleSite||(a.siteURL=b.getFieldValues().site);for(var d=0;d
      ',id:this.id}]}),this.plotPanel.on("afterrender",function(){}),this.plotPanel.on("resize",function(){}),this.plotPanel},CurvePlotter.prototype.getPointCount=function(){return this.dygraph.rawData_.length},CurvePlotter.prototype.getColors=function(){return this.dygraph.getColors()},CurvePlotter.prototype.getLabels=function(){return this.dygraph.getLabels()},CurvePlotter.prototype.render=function(a){var b=this;null!=document.getElementById(this.targetId)&&(document.getElementById(this.targetId).innerHTML="",this.width=this.plotPanel.getWidth(),this.height=this.plotPanel.getHeight(),document.getElementById(this.targetId).setAttribute("style","border: 1px solid #000000; height:"+(this.plotPanel.getHeight()-1)+"px;width:"+(this.plotPanel.getWidth()-2)+"px;"),Ext.getCmp(this.id).setHeight(this.plotPanel.getHeight()),Ext.getCmp(this.id).setWidth(this.plotPanel.getWidth()),this.dygraph=new Dygraph(document.getElementById(this.targetId),a,{title:this.title,titleHeight:20,legend:this.legend,labelsSeparateLines:!0,errorBars:!0,connectSeparatedPoints:!0,pointClickCallback:function(a,c){b.onPointClickCallback.notify(c.name)}}),this.dygraph.ready(function(){b.onRendered.notify()}))},CurvePlotter.prototype.loadMerge=function(a,b,c,d){this.render(EXI.getDataAdapter().saxs.hplc.getFramesMergeURL(a,b,c,d))},CurvePlotter.prototype.loadHPLCFrame=function(a,b){this.render(EXI.getDataAdapter().saxs.hplc.getHPLCFramesScatteringURL(a,b))},CurvePlotter.prototype.loadUrl=function(a){this.render(a)},CurvePlotter.prototype.load=function(a){this.render(EXI.getDataAdapter().saxs.frame.getFramesURL(a.frame,a.average,a.subtracted,a.sampleaverage,a.bufferaverage))},AutoProcIntegrationCurvePlotter.prototype.getPointCount=CurvePlotter.prototype.getPointCount,AutoProcIntegrationCurvePlotter.prototype.getLabels=CurvePlotter.prototype.getLabels,AutoProcIntegrationCurvePlotter.prototype.toCSV=function(a,b){for(var c=a.toString()+"\n",d=0;d
      '},AutoProcIntegrationCurvePlotter.prototype.getPanel=function(){return this.plotPanel=Ext.create("Ext.panel.Panel",{layout:{type:"fit"},height:this.height,margin:this.margin,items:[{html:this.getHTML(),id:this.id,style:{border:"1px solid black"},height:this.height,border:1}]}),this.plotPanel},ParcelPanel.prototype.addHeaderPanel=function(){var a="No information";dust.render("parcel.header.shipping.template",this.dewar,function(b,c){a=c}),this.panel.add(0,{xtype:"container",border:1,padding:1,items:{xtype:"container",layout:"hbox",items:_.concat(this._getTopButtons(),{html:a,margin:12})}})},ParcelPanel.prototype.render=function(){var a=this,b=this.dewar;if(this.panel.removeAll(),this.addHeaderPanel(),null!=b&&null!=b.containerVOs){var c=Ext.create("Ext.panel.Panel",{layout:"hbox",cls:"border-grid",margin:"0 0 0 6px",width:this.width-15,height:this.pucksPanelHeight+20,autoScroll:!0,items:[]});this.panel.add(c),b.containerVOs.sort(function(a,b){return a.containerId-b.containerId});for(var d={},e=[],f=0;f"+c.data.Proposal_proposalCode+c.data.Proposal_proposalNumber+""}},{text:"Code",dataIndex:"Proposal_number",width:75,hidden:!0},{text:"Number",dataIndex:"number",width:75,hidden:!0},{text:"Title",dataIndex:"Proposal_title",flex:1}],flex:1,viewConfig:{stripeRows:!0,listeners:{cellclick:function(b,c,d,e,f,g,h,i){a.onSelected.notify(e.data)}}}}),this.tbar&&this.panel.addDocked({xtype:"toolbar",cls:"toolBarGrid",height:48,items:this._getTbar()}),this.panel},PuckParcelPanel.prototype.getPanel=function(){return this.puck=new PuckWidgetContainer(this.data),this.puckPanel=Ext.create("Ext.panel.Panel",{width:this.width,height:2*this.data.mainRadius+5,items:[this.puck.getPanel()]}),this.panel=Ext.create("Ext.panel.Panel",{width:this.width,height:this.height,items:[{html:this.getCodeHeader(),margin:5,x:this.data.xMargin},this.puckPanel,this.getButtons()]}),this.panel},PuckParcelPanel.prototype.load=function(a){this.puck=new PuckWidgetContainer(this.data),this.puckPanel.removeAll(),this.puckPanel.add(this.puck.getPanel()), -this.puck.loadSamples(a),this.containerId=this.puck.puckWidget.containerId},PuckParcelPanel.prototype.getCodeHeader=function(){var a={info:[{text:"Code:",value:this.code}]},b="";return dust.render("info.grid.template",a,function(a,c){b=c}),b},PuckParcelPanel.prototype.getButtons=function(){var a=this;return this.buttons=Ext.create("Ext.panel.Panel",{layout:{type:"hbox",align:"middle",pack:"center"},width:this.width,items:[{xtype:"button",margin:5,icon:"../images/icon/edit.png",handler:function(b,c){var d=new PuckForm({width:Ext.getBody().getWidth()-150});d.onRemoved.attach(function(b,c){a.onPuckRemoved.notify(c),e.close()}),d.onSaved.attach(function(b,c){a.onPuckSaved.notify(c),e.close()});var e=Ext.create("Ext.window.Window",{title:"Edit Puck",height:700,width:Ext.getBody().getWidth()-100,modal:!0,resizable:!0,layout:"fit",items:d.getPanel()}).show();if(null!=a.containerId){var f=function(a,b){d.load(b)};EXI.getDataAdapter({onSuccess:f}).proposal.shipping.getContainerById(a.containerId,a.containerId,a.containerId)}}},{xtype:"button",margin:5,cls:"btn-remove",icon:"../images/icon/ic_highlight_remove_black_24dp.png",handler:function(){function b(b){"yes"==b&&a.removePuck()}Ext.MessageBox.show({title:"Remove",msg:"Removing a puck from this parcel will remove also its content.
      Are you sure you want to continue?",buttons:Ext.MessageBox.YESNO,fn:b,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})}}]}),this.buttons},PuckParcelPanel.prototype.removePuck=function(){var a=this;this.panel.setLoading();var b=function(b,c){a.panel.setLoading(!1),a.onPuckRemoved.notify(a.containerId)},c=this.containerId;EXI.getDataAdapter({onSuccess:b}).proposal.shipping.removeContainerById(c,c,c)},SessionGrid.prototype.load=function(a){this.sessions=a,this.store.loadData(a,!1)},SessionGrid.prototype.filterByBeamline=function(a){if(a)if(a.length>0){for(var b=[],c=0;c"+moment(c.data.BLSession_startDate,"MMMM Do YYYY, h:mm:ss a").format("MMMM Do YYYY")+"":void 0}},{text:"Beamline",dataIndex:"beamLineName",width:125,hidden:!1,renderer:function(a,b,c){var d="#";return d="SAXS"==EXI.credentialManager.getTechniqueByBeamline(c.data.beamLineName)?"#/session/nav/"+c.data.sessionId+"/session":"#/mx/datacollection/session/"+c.data.sessionId+"/main",""+c.data.beamLineName+""}},{text:"Proposal",dataIndex:"Proposal_ProposalNumber",flex:1,hidden:!1,renderer:function(a,b,c){var d=c.data.Proposal_proposalCode+c.data.Proposal_ProposalNumber;return""+d+""}},{text:"Shifts",dataIndex:"nbShifts",hidden:this.isHiddenNumberOfShifts,flex:1},{text:"Local Contact",dataIndex:"beamLineOperator",width:200,hidden:this.isHiddenLocalContact,flex:1},{text:"Title",dataIndex:"Proposal_title",width:200,hidden:this.isHiddenTitle,flex:4},{text:"PI",dataIndex:"Proposal_title",width:200,hidden:this.isHiddenPI,renderer:function(a,b,c){return c.data.Person_familyName+", "+c.data.Person_givenName}},{text:"e-mail",dataIndex:"Person_emailAddress",width:200,hidden:!0,flex:1},{text:"Data Collections",dataIndex:"Person_emailAddress",width:200,renderer:function(a,b,c){function d(a,b){return b&&0!=b?''+b+''+a+"":""}function e(a){var b="";return b=b+=d("Energy",a.data.energyScanCount),b+=d("XRF",a.data.xrfSpectrumCount),b+=d("Samples",a.data.sampleCount),b+=d("Test",a.data.testDataCollectionGroupCount),b+=d("Collects",a.data.dataCollectionGroupCount),b+=d("Calibration",a.data.calibrationCount),b+=d("Sample Changer",a.data.sampleChangerCount),b+=d("HPLC",a.data.hplcCount),b+"
      "}return e(c)}},{text:"End",dataIndex:"BLSession_endDate",hidden:!0,flex:1,renderer:function(a,b,c){return c.data.BLSession_endDate}},{text:"Comments",dataIndex:"comments",hidden:!1,flex:3,renderer:function(a,b,c){return c.data.comments?"
      "+c.data.comments+"
      ":void 0}}],viewConfig:{stripeRows:!0,getRowClass:function(a,b,c,d){}},listeners:{cellclick:function(b,c,d,e,f,g,h,i){a.onSelected.notify({proposalCode:e.data.Proposal_proposalCode,proposalNumber:e.data.Proposal_ProposalNumber})}}}),this.panel},UploaderWidget.prototype.getFileName=function(){var a=Ext.getCmp(this.id).value;return a.split("\\")[a.split("\\").length-1]},UploaderWidget.prototype.getForm=function(){var a=this;return Ext.create("Ext.form.Panel",{width:400,bodyPadding:20,border:0,frame:!0,items:[{xtype:"filefield",name:"file",id:this.id,fieldLabel:"File",labelWidth:50,msgTarget:"side",allowBlank:!1,anchor:"100%",buttonText:"Browse..."},{xtype:"hiddenfield",id:a.id+"fileName",name:"fileName",value:""}],buttons:[{text:"Upload",handler:function(){var b=this.up("form").getForm();b.isValid()&&(Ext.getCmp(a.id+"fileName").setValue(a.getFileName()),b.submit({url:a.url,waitMsg:"Uploading your file...",success:function(b,c){a.window.close(),a.onUploaded.notify()},failure:function(b,c){a.window.close(),a.onUploaded.notify()}}))}}]})},UploaderWidget.prototype.show=function(){this.window=Ext.create("Ext.window.Window",{title:"ISPyB File Uploader Manager",height:200,modal:!0,icon:"../images/icon/upload.svg",width:600,layout:"fit",items:this.getForm()}),this.window.show()},SAXSExiController.prototype.loadNavigationPanel=ExiController.prototype.loadNavigationPanel,SAXSExiController.prototype.routeNavigation=function(){function a(a){return b.loadNavigationPanel(a)}var b=this;Path.map("#/saxs/:navigation/nav").to(function(){var b=null;if("buffer"==this.params.navigation&&(EXI.clearNavigationPanel(),EXI.setLoadingNavigationPanel(!0),b=new BufferListView,b.onSelect.attach(function(a,b){location.hash="/buffer/"+b[0].bufferId+"/main"}),EXI.addNavigationPanel(b),b.load(EXI.proposalManager.getBuffers()),EXI.setLoadingNavigationPanel(!1),EXI.addMainPanel(new BufferWelcomeMainView)),"stocksolution"==this.params.navigation&&(EXI.clearNavigationPanel(),EXI.setLoadingNavigationPanel(!0),b=new StockSolutionListView,b.onSelect.attach(function(a,b){location.hash="/stocksolution/"+b[0].stockSolutionId+"/main"}),EXI.addNavigationPanel(b),b.load(EXI.proposalManager.getStockSolutions()),EXI.setLoadingNavigationPanel(!1),EXI.addMainPanel(new StockSolutionWelcomeMainView)),"macromolecule"==this.params.navigation&&(EXI.clearNavigationPanel(),EXI.setLoadingNavigationPanel(!0),b=new MacromoleculeListView,b.onSelect.attach(function(a,b){location.hash="/macromolecule/"+b[0].macromoleculeId+"/main"}),EXI.addNavigationPanel(b),b.load(EXI.proposalManager.getMacromolecules()),EXI.setLoadingNavigationPanel(!1),EXI.addMainPanel(new MacromoleculeWelcomeMainView)),"template"==this.params.navigation){EXI.clearNavigationPanel(),EXI.setLoadingNavigationPanel(!0),b=new TemplateListView,b.onSelect.attach(function(a,b){location.hash="/experiment/templateId/"+b[0].experimentId+"/main"});var c=a(b);c.saxs.experiment.getByExperimentByKey("experimentType","TEMPLATE"),EXI.addMainPanel(new ExperimentWelcomeMainView)}}).enter(this.setPageBackground)},SAXSExiController.prototype.setPageBackground=function(){},SAXSExiController.prototype.notFound=function(){},SAXSExiController.prototype.routeExperiment=function(){Path.map("#/experiment/experimentId/:experimentId/main").to(function(){var a=new ExperimentMainView;EXI.addMainPanel(a),a.panel.setLoading();var b=function(b,c){a.load(c),a.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:b}).saxs.dataCollection.getDataCollectionsByExperiment(this.params.experimentId)}).enter(this.setPageBackground),Path.map("#/experiment/session/:sessionId/main").to(function(){var a=new ExperimentMainView;EXI.addMainPanel(a),a.panel.setLoading();var b=function(b,c){a.load(c),a.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:b}).saxs.dataCollection.getDataCollectionsBySessionId(this.params.sessionId)}).enter(this.setPageBackground),Path.map("#/experiment/hplc/:experimentId/main").to(function(){var a=new HPLCMainView;EXI.addMainPanel(a),a.load(this.params.experimentId),a.onSelect.attach(function(a,b){EXI.localExtorage.selectedSubtractionsManager.append(b)}),a.onDeselect.attach(function(a,b){EXI.localExtorage.selectedSubtractionsManager.remove(b)})}).enter(this.setPageBackground),Path.map("#/experiment/:key/:value/main").to(function(){alert("!"),EXI.setLoadingMainPanel();var a=function(a,b){if(EXI.setLoadingMainPanel(!1),null!=b&&b.length>0){var c=null;"STATIC"==b[0].experimentType&&(c=new ExperimentMainView),"HPLC"==b[0].experimentType&&(c=new HPLCMainView),"TEMPLATE"==b[0].experimentType&&(c=new TemplateMainView),EXI.addMainPanel(c),c.load(b),c.onSelect.attach(function(a,b){EXI.localExtorage.selectedSubtractionsManager.append(b)}),c.onDeselect.attach(function(a,b){EXI.localExtorage.selectedSubtractionsManager.remove(b)})}};"experimentId"==this.params.key||"templateId"==this.params.key?EXI.getDataAdapter({onSuccess:a}).saxs.experiment.getByExperimentId([this.params.value]):EXI.getDataAdapter({onSuccess:a}).saxs.experiment.getByExperimentByKey(this.params.key,this.params.value)}).enter(this.setPageBackground)},SAXSExiController.prototype.routeDataCollection=function(){Path.map("#/datacollection/macromoleculeAcronym/:value/main").to(function(){EXI.setLoadingMainPanel("Searching "+this.params.value+"...");var a=new ExperimentMainView;EXI.addMainPanel(a);var b=function(b,c){a.load(c),EXI.setLoadingMainPanel(!1)};null!=EXI.proposalManager.getMacromoleculeByAcronym(this.params.value)?EXI.getDataAdapter({onSuccess:b}).saxs.dataCollection.getDataCollectionsByMacromoleculeId(EXI.proposalManager.getMacromoleculeByAcronym(this.params.value).macromoleculeId):(BUI.showError("No Macromolecule Found"),EXI.setLoadingMainPanel(!1))}).enter(this.setPageBackground),Path.map("#/saxs/datacollection/:key/:value/main").to(function(){EXI.setLoadingMainPanel();var a=function(a,b){var c=new DataCollectionMainView;EXI.addMainPanel(c),c.load(b),EXI.setLoadingMainPanel(!1),c.onSelect.attach(function(a,b){EXI.localExtorage.selectedSubtractionsManager.append(b)}),c.onDeselect.attach(function(a,b){EXI.localExtorage.selectedSubtractionsManager.remove(b)})};EXI.getDataAdapter({onSuccess:a}).saxs.dataCollection.getDataCollectionsByKey(this.params.key,this.params.value)}).enter(this.setPageBackground),Path.map("#/saxs/datacollection/:key/:value/primaryviewer").to(function(){var a=function(a,b){var c=new PrimaryDataMainView;EXI.addMainPanel(c),c.load(b)};EXI.getDataAdapter({onSuccess:a}).saxs.dataCollection.getDataCollectionsByKey(this.params.key,this.params.value)}).enter(this.setPageBackground),Path.map("#/saxs/datacollection/:key/:value/merge").to(function(){var a=function(a,b){var c=new MergeMainView;EXI.addMainPanel(c),c.load(b)};EXI.getDataAdapter({onSuccess:a}).saxs.dataCollection.getDataCollectionsByKey(this.params.key,this.params.value)}).enter(this.setPageBackground)},SAXSExiController.prototype.routePrepare=function(){Path.map("#/buffer/:bufferId/main").to(function(){var a=new BufferMainView;EXI.addMainPanel(a),a.load(this.params.bufferId)}).enter(this.setPageBackground),Path.map("#/buffer/add").to(function(){var a=new BufferMainView;EXI.addMainPanel(a)}).enter(this.setPageBackground),Path.map("#/macromolecule/:macromoleculeId/main").to(function(){var a=new MacromoleculeMainView;EXI.addMainPanel(a),a.load(this.params.macromoleculeId)}).enter(this.setPageBackground),Path.map("#/macromolecule/add").to(function(){var a=new MacromoleculeMainView;EXI.addMainPanel(a)}).enter(this.setPageBackground),Path.map("#/stocksolution/:stocksolutionId/main").to(function(){var a=new StockSolutionMainView;EXI.addMainPanel(a),a.load(this.params.stocksolutionId)}).enter(this.setPageBackground),Path.map("#/stocksolution/add").to(function(){var a=new StockSolutionMainView;EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground),Path.map("#/prepare/stocksolution/main").to(function(){var a=new StockSolutionMainView;EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground),Path.map("#/prepare/templates/main").to(function(){var a=new ExperimentDesignerMainView;EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground),Path.map("#/prepare/shipmentpreparation").to(function(){var a=new ShipmentPreparationMainView;EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground),Path.map("#/prepare/designer").to(function(){var a=new DesignerMainView;EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground)},SAXSExiController.prototype.init=function(){function a(){b.notFound()}var b=this;this.routeNavigation(),this.routeExperiment(),this.routeDataCollection(),this.routePrepare(),Path.map("#/session/nav/:sessionId/session").to(function(){EXI.clearNavigationPanel();var a=new SessionSaxsListView;a.onSelect.attach(function(a,b){"HPLC"==b[0].experimentType&&(location.hash="/experiment/hplc/"+b[0].experimentId+"/main"),"STATIC"!=b[0].experimentType&&"CALIBRATION"!=b[0].experimentType||(location.hash="/experiment/experimentId/"+b[0].experimentId+"/main"),"TEMPLATE"==b[0].experimentType&&(location.hash="/experiment/templateId/"+b[0].experimentId+"/main")});var b=function(b,c){EXI.addNavigationPanel(a),a.load(c),EXI.setLoadingMainPanel(!1)};EXI.getDataAdapter({onSuccess:b}).saxs.experiment.getExperimentsBySessionId(this.params.sessionId)}).enter(this.setPageBackground),Path.map("#/project/:projectId/run/:runId/main").to(function(){var a=this.params.projectId,b=this.params.runId,c=function(a,c){for(var d=0;d",{xtype:"textfield",name:"field1",emptyText:"search macromolecule",hidden:this.isHidden,listeners:{specialkey:function(a,b){b.getKey()==b.ENTER&&(location.hash="/datacollection/macromoleculeAcronym/"+a.getValue()+"/main")}}}]},SAXSMainMenu.prototype.getPreparationMenu=function(){function a(a,b){"Macromolecules"==a.text&&(location.hash="/saxs/macromolecule/nav"),"Buffers"==a.text&&(location.hash="/saxs/buffer/nav"),"Sample Tracking"==a.text&&(location.hash="/saxs/shipping/nav"),"My Experiments"==a.text&&(location.hash="/saxs/template/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"Macromolecules",icon:"../images/icon/macromolecule.png",handler:a},{text:"Buffers",icon:"../images/icon/buffer.jpg",handler:a},"-",{text:"My Experiments",icon:"../images/icon/edit.png",handler:a}]})},SAXSMainMenu.prototype.getDataReductionMenu=function(){function a(a,c){"Sessions"==a.text&&b.onSessionClicked.notify(),"Subtraction"==a.text&&(location.hash="/tool/subtraction/main"),"Experiments"==a.text&&b.onExperimentClicked.notify()}var b=this;return Ext.create("Ext.menu.Menu",{items:[{text:'SEC'},"-",{text:"Background Test"},{text:"Baseline Checker"},{text:"Frame Merge"},"-",{text:'INDIVIDUAL CONCENTRATION'},"-",{text:"Subtraction",checked:!1,group:"theme",checkHandler:a},{text:"Average"},"-",{text:'COMBINING'},"-",{text:"Merging tool"}]})},SAXSMainMenu.prototype.getDataExplorerMenu=function(){function a(a,b){"Calendar"==a.text&&(location.hash="/session/nav"),"Experiments"==a.text&&(location.hash="/experiment/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"Calendar",icon:"../images/icon/sessions.png",handler:a}]})},SAXSMainMenu.prototype.getOnlineDataAnalisysMenu=function(){function a(a,b){"Structure Validation"==a.text&&(location.hash="/tool/crysol/main"),"Job list"==a.text&&(location.hash="/tool/list")}return Ext.create("Ext.menu.Menu",{items:[{text:"Structure Validation",checked:!1,group:"theme",handler:a},"-",{text:"Job list",checked:!1,group:"theme",handler:a}]})},BufferListView.prototype.getPanel=ListView.prototype.getPanel,BufferListView.prototype.load=ListView.prototype.load,BufferListView.prototype.getRow=function(a){var b="";return b=b+"",b=b+"",b+"
      Acronym:"+a.data.acronym+"
      name:"+a.data.name+"
      "},BufferListView.prototype.getFilter=function(a){return[{property:"acronym",value:a,anyMacth:!0}]},BufferListView.prototype.getColumns=function(){var a=this;return[{text:"Buffers",flex:1,dataIndex:"bufferId",renderer:function(b,c,d){return a.getRow(d)}}]},BufferListView.prototype.getFields=function(){return["acronym","name"]},DataCollectionListView.prototype.getPanel=ListView.prototype.getPanel,DataCollectionListView.prototype.load=ListView.prototype.load,DataCollectionListView.prototype.getRow=function(a){var b="";return b=b+"",b=b+"",b=b+"",b+"
      Macromolecule:"+a.data.macromoleculeAcronym+"
      Buffer:"+a.data.bufferAcronym+"
      Count:"+a.data.dataCollections+"
      "},DataCollectionListView.prototype.getFilter=function(a){return[{property:"bufferAcronym",value:a,anyMacth:!0}]},DataCollectionListView.prototype.getColumns=function(){var a=this;return[{text:"Data Collections",flex:1,dataIndex:"bufferAcronym",renderer:function(b,c,d){return a.getRow(d)}}]},DataCollectionListView.prototype.getFields=function(){return["macromoleculeAcronym","bufferAcronym","macromoleculeId","dataCollections"]},DataCollectionListView.prototype.formatData=function(a){a=BUI.groupBy(a,function(a){return[a.bufferAcronym]});for(var b=[],c=0;cAcronym:"+a.data.acronym+"",b=b+"name:"+a.data.name+"",b+""},MacromoleculeListView.prototype.getFilter=function(a){return[{property:"acronym",value:a,anyMacth:!0}]},MacromoleculeListView.prototype.getColumns=function(){var a=this;return[{text:"Macromolecule",flex:1,dataIndex:"macromoleculeId",renderer:function(b,c,d){return a.getRow(d)}}]},MacromoleculeListView.prototype.getFields=function(){return["acronym","name","comments"]},SessionSaxsListView.prototype.getPanel=ListView.prototype.getPanel,SessionSaxsListView.prototype.load=ListView.prototype.load,SessionSaxsListView.prototype.parseStatistics=function(a,b){if(b&&a)try{return a/b*100}catch(c){return 0}return 0},SessionSaxsListView.prototype.getRow=function(a){var b="";return a.data.measured=this.parseStatistics(a.data.measurementDoneCount,a.data.measurementCount),a.data.averaged=this.parseStatistics(a.data.measurementAveragedCount,a.data.measurementCount),a.data.subtracted=this.parseStatistics(a.data.dataCollectionDoneCount,a.data.dataCollectionCount),dust.render("sessionsaxslistview.template",a.data,function(a,c){b=c}),b},SessionSaxsListView.prototype.getFilter=function(a){return[{property:"name",value:a,anyMacth:!0}]},SessionSaxsListView.prototype.getColumns=function(){var a=this;return[{text:"Experiment",flex:1,dataIndex:"sessionId",renderer:function(b,c,d){return a.getRow(d)}}]},SessionSaxsListView.prototype.getFields=function(){return["creationDate","name","experimentType"]},StockSolutionListView.prototype.getPanel=ListView.prototype.getPanel,StockSolutionListView.prototype.load=ListView.prototype.load,StockSolutionListView.prototype.getFilter=ListView.prototype.getFilter,StockSolutionListView.prototype.getFields=ListView.prototype.getFields,StockSolutionListView.prototype.getColumns=ListView.prototype.getColumns,StockSolutionListView.prototype.getRow=function(a){var b="";return EXI.proposalManager.getBufferById(a.data.bufferId)&&(a.data.bufferAcronym=EXI.proposalManager.getBufferById(a.data.bufferId).acronym),EXI.proposalManager.getMacromoleculeById(a.data.macromoleculeId)&&(a.data.macromoleculeAcronym=EXI.proposalManager.getMacromoleculeById(a.data.macromoleculeId).acronym),dust.render("stocksolution.listview",a.data,function(a,c){b=c}),b},TemplateListView.prototype.getPanel=ListView.prototype.getPanel,TemplateListView.prototype.load=ListView.prototype.load,TemplateListView.prototype.getRow=function(a){var b="black",c="";return c=c+"",c=c+"",c=c+"",c+"
      "+a.data.name+"
      "+a.data.comments+"
      "+a.data.creationDate+"
      "},TemplateListView.prototype.getFilter=function(a){return[{property:"name",value:a,anyMatch:!0}]},TemplateListView.prototype.getColumns=function(){var a=this;return[{text:"Experiment",flex:1,dataIndex:"sessionId",renderer:function(b,c,d){return a.getRow(d)}}]},TemplateListView.prototype.getFields=function(){return[{name:"creationDate",type:"string"},{name:"name",type:"string"},{name:"experimentType",type:"string"}]},BufferMainView.prototype.getPanel=MainView.prototype.getPanel,BufferMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:15,border:1,defaults:{labelWidth:80,flex:1},items:[this.bufferForm.getPanel([])]})},BufferMainView.prototype.load=function(a){this.panel.setTitle("Buffer"),this.bufferForm.load(EXI.proposalManager.getBufferById(a))},BufferWelcomeMainView.prototype.getPanel=MainView.prototype.getPanel,BufferWelcomeMainView.prototype.getContainer=MainView.prototype.getContainer,BufferWelcomeMainView.prototype.getOptions=function(){var a="
      • Define beforehand an experiment
      • ";return a+="
      • Send your samples by courier
      • ",a+"
      "},BufferWelcomeMainView.prototype.getContainer=function(){return Ext.createWidget("panel",{plain:!0,margin:"20",layout:"fit",items:[{tabConfig:{title:"Welcome"},items:[{xtype:"container",layout:"fit",padding:10,margin:0,cls:"border-grid",items:[{html:'

      Buffers on ISPyB

      ',margin:"0 0 0 20"},{html:'
      A buffer is the matched solution which in a sample is suspended

      ',margin:"0 0 0 40"},{html:'
      You should define a macromolecule on ISPyB if you want:
      ',margin:"0 0 0 40"},{html:this.getOptions(),margin:"0 0 0 40"},{html:'
      If your macromolecule is not in the list showed on the left you can create a new one

      ',margin:"0 0 0 20"},{xtype:"container",layout:"hbox",cls:"option-bar-menu",items:[{xtype:"button",cls:"square-option",maxWidth:200,minWidth:200,margin:"0 0 0 150",height:100,text:'
      Add a new buffer
      ',icon:"../images/icon/add.png",iconAlign:"top",handler:function(){location.hash="/buffer/add"}}]}]}]}]})},BufferWelcomeMainView.prototype.load=function(){},DataCollectionMainView.prototype.getPanel=MainView.prototype.getPanel,DataCollectionMainView.prototype.getContainer=MainView.prototype.getContainer,DataCollectionMainView.prototype.filter=function(a,b){this.grid.key={},this.grid.filter("bufferAcronym",b)},DataCollectionMainView.prototype.load=function(a){var b=this;this.grid.onSelectionChange.attach(function(a,c){b.onSelectionChange.notify(c)}),this.grid.onSelect.attach(function(a,c){b.onSelect.notify(c)}),this.grid.onDeselect.attach(function(a,c){b.onDeselect.notify(c)}),this.container.insert(0,this.grid.getPanel()),this.grid.load(a)},DesignerMainView.prototype.getPanel=MainView.prototype.getPanel,DesignerMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:15,border:1,defaults:{labelWidth:80,flex:1},items:[this.wizardWidget.getPanel(new MeasurementCreatorStepWizardForm(EXI.proposalManager.getMacromolecules(),EXI.proposalManager.getBuffers()))]})},DesignerMainView.prototype.load=function(a){this.panel.setTitle("Experiment Designer")},ExperimentDesignerMainView.prototype.getPanel=MainView.prototype.getPanel,ExperimentDesignerMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:30,bodyStyle:{"background-color":"#E6E6E6"},border:1,style:{borderColor:"#000000",borderStyle:"solid",borderWidth:"1px"},defaults:{labelWidth:80,xtype:"datefield",flex:1},items:[this.templateGrid.getPanel([])]})},ExperimentDesignerMainView.prototype.load=function(){var a=this;this.panel.setLoading();var b=new ProposalUpdater;this.templateGrid.grid.setLoading(),b.onSuccess.attach(function(b,c){a.panel.setLoading(!1);var d=new DataAdapter;d.onSuccess.attach(function(b,c){a.templateGrid.store.loadData(c),a.templateGrid.grid.setLoading(!1)}),d.getByExperimentByKey("experimentType","TEMPLATE")}),b.get(),this.panel.setTitle("Experiment Designer")},ExperimentMainView.prototype.getToolBar=function(){function a(a){b.activePanel!=a&&(b.activePanel=a,b.load(b.dataCollections))}var b=this,c=Ext.create("Ext.menu.Menu",{items:[{text:"Online Data Analysis",handler:function(){a(b.queueGrid)}},{text:"Online Data Analysis (v2)",handler:function(){a(b.queueGridVersion2)}},{text:"Measurements",handler:function(){a(b.measurementGrid)}},{text:"Sample Plate Setup",handler:function(){a(b.specimenWidget)}}]});return Ext.create("Ext.toolbar.Toolbar",{width:500,items:[{text:"View",iconCls:"bmenu",menu:c}]})},ExperimentMainView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{margin:10,layout:"fit",height:600,tbar:this.getToolBar(),items:[]}),this.panel},ExperimentMainView.prototype.load=function(a){this.dataCollections=a,this.panel.removeAll(),this.panel.insert(this.activePanel.getPanel()),this.activePanel.load(a)},ExperimentWelcomeMainView.prototype.getPanel=MainView.prototype.getPanel,ExperimentWelcomeMainView.prototype.getContainer=MainView.prototype.getContainer,ExperimentWelcomeMainView.prototype.getContainer=function(){return Ext.createWidget("panel",{plain:!0,margin:"10",layout:"fit",items:[{tabConfig:{title:"Welcome"},items:[{xtype:"container",layout:"fit",padding:20,margin:0,cls:"border-grid",items:[{html:'

      Designing your experiment on ISPyB

      '},{html:'
      A experiment is a set of measurements of samples.

      ',margin:"0 0 0 20"},{xtype:"container",layout:"hbox",cls:"option-bar-menu",items:[{xtype:"button",cls:"square-option",maxWidth:200,minWidth:200,margin:"0 0 0 150",height:100,text:'
      Create a new Experiment
      ',icon:"../images/icon/add.png",iconAlign:"top",handler:function(){location.hash="/prepare/designer"}}]}]}]}]})},ExperimentWelcomeMainView.prototype.load=function(){},HPLCMainView.prototype.getPanel=MainView.prototype.getPanel,HPLCMainView.prototype.getHeader=function(a,b){return""+a+""+b+""},HPLCMainView.prototype.getPlotContainer=function(){return{xtype:"container",cls:"defaultGridPanel",border:0,defaults:{height:450},items:[this.hplcGraph.getPanel(),this.plotter.getPanel()]}},HPLCMainView.prototype.getContainer=function(){return{xtype:"container",items:[this.grid.getPanel(),this.getPlotContainer()]}},HPLCMainView.prototype.getSelected=function(){for(var a=[],b=0;b"+a+""+b+""},MacromoleculeMainView.prototype.getSelected=function(){for(var a=[],b=0;b"},MacromoleculeWelcomeMainView.prototype.getContainer=function(){return Ext.createWidget("panel",{plain:!0,margin:"10",layout:"fit",items:[{tabConfig:{title:"Welcome"},items:[{xtype:"container",layout:"fit",padding:20,margin:0,cls:"border-grid",items:[{html:'

      Macromolecules on ISPyB

      '},{html:'
      A macromolecule is a biological contruct for investigation.

      ',margin:"0 0 0 20"},{html:'
      You should define a macromolecule on ISPyB if you want:
      ',margin:"0 0 0 20"},{html:this.getOptions(),margin:"0 0 0 40"},{html:'
      If your macromolecule is not in the list showed on the left you can create a new one

      ',margin:"0 0 0 20"},{xtype:"container",layout:"hbox",cls:"option-bar-menu",items:[{xtype:"button",cls:"square-option",maxWidth:200,minWidth:200,margin:"0 0 0 150",height:100,text:'
      Add a new macromolecule
      ',icon:"../images/icon/add.png",iconAlign:"top",handler:function(){location.hash="/macromolecule/add"}}]}]}]}]})},MacromoleculeWelcomeMainView.prototype.load=function(){},MergeMainView.prototype.getPanel=MainView.prototype.getPanel,MergeMainView.prototype.getContainer=MainView.prototype.getContainer,MergeMainView.prototype.populateForm=function(a,b){for(var c=0;c'+b+"",margin:"10 0 0 10"},{xtype:"sliderfield",margin:"10 0 0 2",hideLabel:!0,width:275,minValue:0,subtractionId:a,id:"slider"+a,maxValue:f,increment:1,values:[0,f],listeners:{changecomplete:function(a,b,c,d){for(var e=a.getValues(),f=0;f",width:30,margin:"2 0 0 5",subtractionId:a,handler:function(a){var b="slider"+a.subtractionId;Ext.getCmp(b).setValue(1,Ext.getCmp(b).getValues()[1]+1);for(var c=Ext.getCmp(b).getValues(),d=0;d

      Shipments

      '},{html:'
      A Shipment consists of a set of Dewars which is sent from your home lab to the synchrotron via a courier company. Each dry shipping Dewar within the shipment is identified by a label (barcode or sticker). The dewars(s) contains a set of Containers (Pucks or canes). Containers (typically Pucks), contain Samples. A Sample (Sample Holder) contains the Crystal

      ',margin:"0 0 0 20"},{html:'
      Do you want to ship your samples to the beamline?

      ',margin:"0 0 0 20"},{xtype:"container",layout:"hbox",cls:"option-bar-menu",items:[{xtype:"button",cls:"square-option",maxWidth:200,minWidth:200,margin:"0 0 0 150",height:100,text:'
      Create a new Shipment
      ',icon:"../images/icon/add.png",iconAlign:"top",handler:function(){location.hash="/shipping/main"}}]}]}]}]})},ShippingWelcomeMainView.prototype.load=function(){},StockSolutionMainView.prototype.getPanel=MainView.prototype.getPanel,StockSolutionMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"anchor"},defaults:{anchor:"100%",hideEmptyLabel:!1},margin:30,bodyStyle:{"background-color":"#E6E6E6"},items:[this.stockSolutionForm.getPanel([])]})},StockSolutionMainView.prototype.load=function(a){this.stockSolutionId=a,this.stockSolutionForm.load(EXI.proposalManager.getStockSolutionById(a)),this.panel.setTitle("Stock Solutions")},StockSolutionWelcomeMainView.prototype.getPanel=MainView.prototype.getPanel,StockSolutionWelcomeMainView.prototype.getContainer=MainView.prototype.getContainer,StockSolutionWelcomeMainView.prototype.getOptions=function(){var a="
      • Define beforehand an experiment
      • ";return a+="
      • Send your samples by courier
      • ",a+"
      "},StockSolutionWelcomeMainView.prototype.getContainer=function(){return Ext.createWidget("panel",{plain:!0,margin:"20",layout:"fit",items:[{tabConfig:{title:"Welcome"},items:[{xtype:"container",layout:"fit",padding:10,margin:0,cls:"border-grid",items:[{html:'

      Stock Solutions on ISPyB

      ',margin:"0 0 0 20"},{html:'
      A buffer is the matched solution which in a sample is suspended

      ',margin:"0 0 0 40"},{html:'
      You should define a macromolecule on ISPyB if you want:
      ',margin:"0 0 0 40"},{html:this.getOptions(),margin:"0 0 0 40"},{html:'
      If your macromolecule is not in the list showed on the left you can create a new one

      ',margin:"0 0 0 20"},{xtype:"container",layout:"hbox",cls:"option-bar-menu",items:[{xtype:"button",cls:"square-option",maxWidth:200,minWidth:200,margin:"0 0 0 150",height:100,text:'
      Add a new Stock Solution
      ',icon:"../images/icon/add.png",iconAlign:"top",handler:function(){location.hash="/stocksolution/add"}}]}]}]}]})},StockSolutionWelcomeMainView.prototype.load=function(){},TemplateMainView.prototype.getPanel=MainView.prototype.getPanel,TemplateMainView.prototype.getHeader=function(a,b){return""+a+""+b+""},TemplateMainView.prototype.getSelected=function(){for(var a=[],b=0;b
      ',autoScroll:!0,padding:this.padding}},AbinitioForm.prototype._renderPDB=function(a){try{for(var b=[],c=0;c 1 ? "s" : ""]})',startCollapsed:!1,collapsible:!0}),d=Ext.create("Ext.selection.RowModel",{allowDeselect:!0,listeners:{selectionchange:function(b,c){c.length>0&&a.onSelected.notify([c[0].data])}}});return this.grid=Ext.create("Ext.grid.Panel",{collapsible:!1,resizable:!0,selModel:d,features:[c],autoscroll:!0,multiSelect:!0,store:this.store,cls:"border-grid",height:this.height,width:this.width,margin:10,columns:[{text:"Type",dataindex:"type",hidden:!0,renderer:function(a,b,c){return c.data.type},flex:1},{text:"ModelId",dataindex:"modelId",hidden:!0,renderer:function(a,b,c){return c.data.modelId},flex:1},{text:"chiSqrt",dataindex:"chiSqrt",renderer:function(a,b,c){return null!=c.data.dmax?BUI.formatValuesUnits(c.data.chiSqrt,"",12,this.decimals):void 0},flex:1},{text:"Dmax",dataindex:"dmax",renderer:function(a,b,c){return null!=c.data.dmax?BUI.formatValuesUnits(c.data.dmax,"nm",12,this.decimals):void 0},flex:1},{text:"rFactor",dataindex:"rfactor",hidden:!0,renderer:function(a,b,c){return null!=c.data.rfactor?c.data.rfactor:void 0},flex:1},{text:"Rg",dataindex:"rg",renderer:function(a,b,c){return null!=c.data.rg?BUI.formatValuesUnits(c.data.rg,"nm",12,this.decimals):void 0},flex:1},{text:"Volume",dataindex:"volume",renderer:function(a,b,c){return null!=c.data.volume?BUI.formatValuesUnits(c.data.volume,"")+" nm3":void 0},flex:1},{text:"PDB",dataindex:"pdbFile",renderer:function(a,b,c){return null!=c.data.pdbFile?c.data.pdbFile.split("/")[c.data.pdbFile.split("/").length-1]:void 0},flex:1},{text:"Fir",dataindex:"firFile",renderer:function(a,b,c){return null!=c.data.firFile?c.data.firFile.split("/")[c.data.firFile.split("/").length-1]:void 0},flex:1},{text:"LOG",dataindex:"logFile",hidden:!0,renderer:function(a,b,c){return null!=c.data.logFile?c.data.logFile.split("/")[c.data.logFile.split("/").length-1]:void 0},flex:1}],viewConfig:{enableTextSelection:!0,preserveScrollOnRefresh:!0,stripeRows:!0,listeners:{}}}),this.grid},AddressForm.prototype.getAddress=function(){return null==this.address&&(this.address={}),this.address.billingReference=Ext.getCmp(this.id+"billingReference").getValue(),this.address.cardName=Ext.getCmp(this.id+"cardName").getValue(),this.address.courierAccount=Ext.getCmp(this.id+"courierAccount").getValue(),this.address.defaultCourrierCompany=Ext.getCmp(this.id+"courrierCompany").getValue(),this.address.dewarAvgCustomsValue=Ext.getCmp(this.id+"dewarAvgCustomsValue").getValue(),this.address.dewarAvgTransportValue=Ext.getCmp(this.id+"dewarAvgTransportValue").getValue(),null==this.address.personVO&&(this.address.personVO={}),this.address.personVO.emailAddress=Ext.getCmp(this.id+"emailAddress").getValue(),this.address.personVO.familyName=Ext.getCmp(this.id+"familyName").getValue(),this.address.personVO.givenName=Ext.getCmp(this.id+"name").getValue(),this.address.personVO.faxNumber=Ext.getCmp(this.id+"faxNumber").getValue(),this.address.personVO.phoneNumber=Ext.getCmp(this.id+"phoneNumber").getValue(),this.address},AddressForm.prototype._loadPerson=function(a,b,c,d,e){Ext.getCmp(this.id+"emailAddress").setValue(c),Ext.getCmp(this.id+"familyName").setValue(b),Ext.getCmp(this.id+"name").setValue(a),Ext.getCmp(this.id+"faxNumber").setValue(d),Ext.getCmp(this.id+"phoneNumber").setValue(e)},AddressForm.prototype.load=function(a){this.address=a,null!=a&&(Ext.getCmp(this.id+"cardName").setValue(a.cardName),Ext.getCmp(this.id+"courrierCompany").setValue(a.defaultCourrierCompany),Ext.getCmp(this.id+"dewarAvgCustomsValue").setValue(a.dewarAvgCustomsValue),Ext.getCmp(this.id+"dewarAvgTransportValue").setValue(a.dewarAvgTransportValue),Ext.getCmp(this.id+"courierAccount").setValue(a.courierAccount),Ext.getCmp(this.id+"billingReference").setValue(a.billingReference),null!=a.personVO&&this._loadPerson(a.personVO.givenName,a.personVO.familyName,a.personVO.emailAddress,a.personVO.faxNumber,a.personVO.phoneNumber))},AddressForm.prototype.getPersonPanel=function(){return this.personPanel=Ext.create("Ext.panel.Panel",{layout:"vbox",margin:"10",items:[{padding:10,xtype:"container",layout:"hbox",border:!1,items:[{xtype:"requiredtextfield",id:this.id+"name",fieldLabel:"Name",labelWidth:75,margin:"0 0 0 10",disabled:!0,width:200},{xtype:"requiredtextfield",id:this.id+"familyName",fieldLabel:"Surname",labelWidth:75,disabled:!0,margin:"0 0 0 10",width:200},{xtype:"requiredtextfield",id:this.id+"emailAddress",fieldLabel:"Email",labelWidth:75,margin:"0 0 0 10",width:300},{id:this.id+"phoneNumber",fieldLabel:"Phone",xtype:"textfield",labelWidth:75,margin:"0 0 0 10",width:220},{id:this.id+"faxNumber",fieldLabel:"Fax",xtype:"textfield",labelWidth:75,margin:"0 0 0 10",width:220}]},{padding:10,xtype:"container",layout:"hbox",border:!1,items:[{xtype:"requiredtextfield",id:this.id+"cardName",fieldLabel:"Card Name",name:"CardName",labelWidth:150,margin:"0 0 0 10",width:300},{xtype:"requiredtextfield",id:this.id+"courierAccount",fieldLabel:"Courier Account",margin:"0 0 0 30",labelWidth:150,width:300},{xtype:"requiredtextfield",id:this.id+"courrierCompany",fieldLabel:"Courier Company",margin:"0 0 0 30",labelWidth:150,width:300}]},{padding:10,xtype:"container",layout:"hbox",border:!1,items:[{id:this.id+"dewarAvgCustomsValue",fieldLabel:"Average Custom Value",xtype:"numberfield",margin:"0 0 0 10",minValue:0,maxValue:15,labelWidth:150,width:300},{id:this.id+"dewarAvgTransportValue",fieldLabel:"Average Transport Value",xtype:"numberfield",margin:"0 0 0 30",minValue:0,maxValue:15,labelWidth:150,width:300},{id:this.id+"billingReference",xtype:"textfield",fieldLabel:"Billing Reference",margin:"0 0 0 30",labelWidth:150,width:300}]}]}),this.personPanel},AddressForm.prototype.getPackagePanel=function(){return this.packagePanel=Ext.create("Ext.panel.Panel",{layout:"hbox",items:[{padding:10,xtype:"container",layout:"vbox",border:!1,items:[{xtype:"container",layout:"hbox",items:[]},{xtype:"container",layout:"hbox",margin:"10 0 0 0",items:[]}]}]}),this.packagePanel},AddressForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{hidden:this.isHidden,layout:"vbox",title:"Shipping Address Card",cls:"border-grid",buttons:this.getToolBar(),icon:"../images/icon/ic_email_black_24dp.png",items:[this.getPersonPanel()]}),this.panel},AddressForm.prototype.save=function(){var a=this;a.panel.setLoading();var b=function(b){a.panel.setLoading(!1),EXI.getDataAdapter().proposal.proposal.update()};EXI.getDataAdapter({onSuccess:b}).proposal.labcontacts.saveLabContact(a.getAddress())},AddressForm.prototype.getToolBar=function(){var a=this;return[{text:"Save",hidden:a.isSaveButtonHidden,width:100,handler:function(){a.save()}}]},AprioriRigidBodyGrid.prototype._getColumns=function(){},AprioriRigidBodyGrid.prototype._getTopButtons=function(){var a=this,b=[];return b.push(Ext.create("Ext.Action",{icon:"../images/add.png",text:"Add",disabled:!1,handler:function(b,c){a.onAddButtonClicked.notify()}})),b},AprioriRigidBodyGrid.prototype.load=function(a){this.macromolecule=a,null!=a&&this.pdbStore.loadData(a.structure3VOs)},AprioriRigidBodyGrid.prototype._prepareData=function(){for(var a=[],b=0;bSure?",buttons:Ext.MessageBox.YESNO,icon:Ext.MessageBox.QUESTION})}}]}],listeners:{beforeedit:function(a,b,c){return"actioncolumn"!=b.column.xtype}}}),this.panel},AssemblyForm.prototype._getItems=function(){return[{xtype:"label",forId:"myFieldId",text:"List of previously defined macromolecules present in the assembly. This information will be used for additional cross-checks where possible",margin:"15 0 20 10",cls:"inline-help"},this.molarityGrid.getPanel()]},AssemblyForm.prototype._getButtons=function(){return[]},AssemblyForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.form.Panel",{width:this.width,height:this.height,margin:10,border:0,defaultType:"textfield",items:this._getItems(),buttons:this._getButtons()}),this.panel},AssemblyForm.prototype.refresh=function(a){this.macromolecule=a,this.molarityGrid.refresh(a)},AssemblyForm.prototype.input=function(){return{}},AssemblyForm.prototype.test=function(a){var b=new AssemblyForm,c=b.getPanel();c.render(a)},BufferForm.prototype.getBuffer=function(){return null==this.buffer&&(this.buffer={}),this.buffer.name=Ext.getCmp(this.id+"buffer_name").getValue(),this.buffer.acronym=Ext.getCmp(this.id+"buffer_acronym").getValue(),this.buffer.comments=Ext.getCmp(this.id+"buffer_comments").getValue(),this.buffer.ph=Ext.getCmp(this.id+"buffer_ph").getValue(),this.buffer.composition=Ext.getCmp(this.id+"buffer_composition").getValue(),this.buffer.proposalId=Ext.getCmp(this.id+"proposalIdCombo").getValue(),this.buffer},BufferForm.prototype.load=function(a){this.buffer=a,null!=a&&(Ext.getCmp(this.id+"buffer_name").setValue(this.buffer.name),Ext.getCmp(this.id+"buffer_acronym").setValue(this.buffer.acronym),Ext.getCmp(this.id+"buffer_comments").setValue(this.buffer.comments),Ext.getCmp(this.id+"buffer_ph").setValue(this.buffer.ph),Ext.getCmp(this.id+"buffer_composition").setValue(this.buffer.composition)),null!=this.buffer&&null!=this.buffer.proposalId&&(Ext.getCmp(this.id+"proposalIdCombo").setValue(this.buffer.proposalId),Ext.getCmp(this.id+"proposalIdCombo").disable())},BufferForm.prototype._getTopPanel=function(){return{xtype:"container",layout:"hbox",border:0,margin:"40 0 0 0",frame:!0,items:[{xtype:"container",layout:"hbox",items:[{xtype:"container",flex:1,border:!1,layout:"anchor",items:[{xtype:"requiredtextfield",id:this.id+"buffer_name",fieldLabel:"Name",name:"name",width:300},{xtype:"requiredtextfield",id:this.id+"buffer_acronym",fieldLabel:"Acronym",maskRe:/[a-zA-Z0-9]+/,name:"acronym",width:300}]}]},{xtype:"container",flex:1,layout:"anchor",defaultType:"textfield",margin:"0 0 0 10",items:[{id:this.id+"buffer_ph",fieldLabel:"pH",name:"ph",xtype:"numberfield",width:300,minValue:0,maxValue:15},{fieldLabel:"Composition",id:this.id+"buffer_composition",name:"composition",width:300}]}]}},BufferForm.prototype.getToolBar=function(){var a=this;return[{text:"Save",width:100,handler:function(){a.panel.setLoading();var b=function(b){a.panel.setLoading(!1),EXI.getDataAdapter().proposal.proposal.update()};EXI.getDataAdapter({onSuccess:b}).saxs.buffer.saveBuffer(a.getBuffer())}}]},BufferForm.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{layout:"vbox",buttons:this.getToolBar(),cls:"border-grid",items:[{xtype:"container",margin:"10 0 0 20",layout:"vbox",items:[BIOSAXS_COMBOMANAGER.getComboProposal({id:a.id+"proposalIdCombo",labelWidth:100}),this._getTopPanel(),{id:this.id+"buffer_comments", -xtype:"textareafield",name:"comments",fieldLabel:"Comments",width:600,height:80}]}]}),this.panel},BufferGrid.prototype._edit=function(a){function b(){return[{text:"Save",handler:function(){var a=function(a){var b=function(a,b){c.window.close(),c.onUpdated.notify(),c.panel.setLoading(!1)};c.panel.setLoading("Updading proposal information"),EXI.getDataAdapter({onSuccess:b}).proposal.proposal.update()};return""==c.bufferForm.getBuffer().name?void BUI.showWarning("Name field is mandatory"):""==c.bufferForm.getBuffer().acronym?void BUI.showWarning("Acronym field is mandatory"):""==c.bufferForm.getBuffer().proposalId||null==c.bufferForm.getBuffer().proposalId?void BUI.showWarning("Proposal field is mandatory"):void EXI.getDataAdapter({onSuccess:a}).saxs.buffer.saveBuffer(c.bufferForm.getBuffer())}},{text:"Cancel",handler:function(){c.window.close()}}]}var c=this;this.bufferForm=new BufferForm({height:400,width:700}),this.window=Ext.create("Ext.window.Window",{title:"Edit buffer",layout:"fit",items:this.bufferForm.getPanel(),buttons:b()}).show(),this.bufferForm.load(this.getBufferById(a))},BufferGrid.prototype.getBufferById=function(a){for(var b=0;b",b+="",b+=a[c].key,b+="",b+="",b+=a[c].value,b+="",b+="";return b+""},CaseGrid.prototype._getHTMLButton=function(a,b){return''},CaseGrid.prototype._getUnpackStockSolutionButton=function(a,b){return''},CaseGrid.prototype._getRemoveContainerButton=function(a,b){return''},CaseGrid.prototype._getEditPuckButton=function(a,b,c){return''},CaseGrid.prototype._getPrintParcelButton=function(a,b){return''},CaseGrid.prototype._getEditParcelButton=function(a,b){return''},CaseGrid.prototype._getRemoveParcelButton=function(a,b){return''},CaseGrid.prototype._getComponentRowHTML=function(a,b,c,d,e){var f="";return f+="",f+="",f+=this._getEditPuckButton(b,Number(e),"Edit"),f+="",f+="",f+=b,f+="",f+="",f+=c,f+="",f+="",f+=d,f+="","Stock Solution"==b&&(f+="",f+=this._getUnpackStockSolutionButton(Number(e),"Unpack"),f+=""),"Puck"==b&&(f+="",f+=this._getRemoveContainerButton(Number(e),"Remove"),f+=""),f+=""},CaseGrid.prototype._getComponentHTML=function(a,b){var c="";if(b.length>0){c="";for(var d=0;d"}else c+="

      This parcel is empty";return 0==b.length&&(c=this._getHTMLButton(a,"Add Solution")+this._getHTMLButton(a,"Add Puck")+c),b.length>0&&(c="Puck"==b[0].type?this._getHTMLButton(a,"Add Puck")+c:this._getHTMLButton(a,"Add Solution")+c),'
      Components
      '+c+"
      "},CaseGrid.prototype._getParcelHTML=function(a){var b="
      TypeCodeCapacity
      ",c=a.Dewar_storageLocation,d=a.Dewar_code,e=a.Dewar_status,f=a.Dewar_comments;return null==d&&(d="Not set"),null==e&&(e="Unknown"),null==c&&(c="Not set"),null==f&&(f=""),b=b+"
      CodeStatusStore LocationComments
      "+d+""+e+""+c+""+f+"
      ",b=this._getEditParcelButton(a.Dewar_dewarId,"Edit")+this._getPrintParcelButton(a.Dewar_dewarId,"Print Labels")+this._getRemoveParcelButton(a.Dewar_dewarId,"Remove")+b,'
      Parcel
      '+b+"
      "},CaseGrid.prototype._getColumns=function(){var a=this,b=[{header:"General",dataIndex:"type",name:"type",type:"string",flex:.5,renderer:function(b,c,d){var e=JSON.parse(d.data.serialized);return a._getParcelHTML(e[0])}},{header:"Content",dataIndex:"Dewar_comments",name:"type",type:"string",flex:.5,renderer:function(b,c,d){var e=JSON.parse(d.data.serialized),f=e[0].Dewar_dewarId,g=[];if(null!=e&&e.length>0)for(var h=0;h0&&EXI.getDataAdapter({onSuccess:b}).proposal.shipping.getDewarsByShipmentId(a.shippingId)},CaseGrid.prototype.edit=function(a){var b=this,c=new CaseForm,d=Ext.create("Ext.window.Window",{title:"Parcel",height:360,width:600,modal:!0,layout:"fit",items:[c.getPanel(a)],buttons:[{text:"Save",handler:function(){new DataAdapter;b.panel.setLoading();var a=c.getDewar(),e=function(a,c){b.load(c),d.close(),b.panel.setLoading(!1)};a.sessionId=a.firstExperimentId,a.shippingId=b.shipment.shippingId,EXI.getDataAdapter({onSuccess:e}).proposal.dewar.saveDewar(b.shipment.shippingId,a)}},{text:"Cancel",handler:function(){d.close()}}]});d.show()},CaseGrid.prototype._getStoreFields=function(){return[{name:"serialized",type:"string"}]},CaseGrid.prototype.getDewarById=function(a){for(var b=this,c=0;cAre you sure you want to continue?",buttons:Ext.MessageBox.YESNOCANCEL,fn:j,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})}}}},selModel:{mode:"SINGLE"}}),this.panel.addDocked({height:45,xtype:"toolbar",items:a._getTopButtons(),cls:"exi-top-bar"}),this.panel},DataReductionForm.prototype._parseSelectedItemsToIds=function(a){var b=[];if(null!=a)for(var c=0;c"+a+"
      ";return{xtype:"container",layout:"vbox",items:[{html:c,margin:"5 0 0 0",height:95,width:100},{xtype:"label",forId:"myFieldId",text:b,margin:"5 0 0 0",cls:"inline-help"}]}},DataReductionForm.prototype._getItems=function(){return[{xtype:"container",layout:"hbox",items:[this._getFramesPanel(),this.plotWidget.getPanel(),{xtype:"panel",width:110,frame:!0,margin:"10 5 5 5",border:0,layout:"vbox",items:[this._getImageContainer("scattering","Scattering"),this._getImageContainer("guinier","Guinier Region"),this._getImageContainer("kratky","Kratky Plot"),this._getImageContainer("gnom","P(r) distribution")]}]}]},DataReductionForm.prototype._getButtons=function(){return[]},DataReductionForm.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.form.Panel",{width:this.width,height:this.height,border:0,items:this._getItems(),buttons:this._getButtons(),listeners:{afterrender:function(){a._populate()}}}),this.panel},DataReductionForm.prototype._populate=function(){},DataReductionForm.prototype.refresh=function(a){if(null!=a)for(var b=0;b"},DataReductionForm.prototype.input=function(){return{}},DataReductionForm.prototype.test=function(a){var b=new DataReductionForm,c=b.getPanel();c.render(a)},ExperimentGrid.prototype._getFilterTypes=function(){return[]},ExperimentGrid.prototype._prepareData=function(a){var b=[],c=0;a.sort(function(a,b){return b.experimentId-a.experimentId});for(var d=0;d',margin:"5 5 5 5"}]}).show(),e=new CalendarWidget({height:450}),f=a.limit;a.limit=null,a.sessionIdFilter=null,e.loadData(a._prepareData(a.experiments)),a.limit=f,e.draw("calendar"),e.onClick.attach(function(b,c){c=moment(c,"YYYY-MM-DD"),a._filterByDate(c),d.close()})}})),this.storeDate=Ext.create("Ext.data.ArrayStore",{fields:["date","value"],data:[]}),this.dateMenu=Ext.create("Ext.form.field.ComboBox",{hideLabel:!0,store:this.storeDate,displayField:"date",typeAhead:!0,queryMode:"local",margin:"0 0 0 30",triggerAction:"all",emptyText:"Select a date...",selectOnFocus:!0,width:135,listeners:{scope:this,select:function(b,c,d){a.limit=null,a._filterByDate(moment(c[0].raw.value,"YYYY-MM-DD"))}}}),b.push(this.dateMenu),b.push("->"),null!=a.filtered?b.push({html:"Experiment Type: "+a.filtered+""}):b.push({html:"Experiment Type: ALL"}),b},ExperimentGrid.prototype._filterByDate=function(a){for(var b=[],c=0;c{name:this.formatName}",{formatName:function(b){return a.dates[b]}}),hideGroupedHeader:!0,startCollapsed:!1});this.features=[],this.grouping&&this.features.push(b),this.grid=Ext.create(this.gridType,{hideHeaders:this.hideHeaders,resizable:!0,title:this.title,width:this.width,minHeight:this.minHeight,height:this.height,features:this.features,store:this.store,columns:this._getColumns(),selModel:{mode:"SINGLE"},viewConfig:{stripeRows:!0,getRowClass:function(a,b,c,d){return"TEMPLATE"==a.raw.type?"template-color-row":"CALIBRATION"==a.raw.type&&"FINISHED"==a.raw.status?"blue-row":void 0},listeners:{itemdblclick:function(b,c,d,e){a._editExperiment(c.raw.experimentId)},cellclick:function(b,c,d,e,f,g,h,i){b.getGridColumns()[d].getId()==a.id+"GO"&&a._editExperiment(e.raw.experimentId),b.getGridColumns()[d].getId()==a.id+"REMOVE"&&a._removeExperimentById(e.raw.experimentId)}}}});var c=a._getTopButtons();return this.tbar&&(this.grid.addDocked({xtype:"toolbar",height:48,items:c}),this.grid.getSelectionModel().on({selectionchange:function(a,b){if(b.length)for(var d=0;d"+a+"":a}},{text:"Macromolecules",name:"macromolecules_names",dataIndex:"macromolecules_names",flex:1,renderer:function(a){return null!=a?" "+a+"":" Information not available"}},{text:"Buffers",dataIndex:"buffer_names",name:"buffer_names",flex:1,hidden:!0,renderer:function(a){return"Buffer/s: "+a+""}},{text:"Status",dataIndex:"status",name:"status",type:"string",flex:1,renderer:function(a,b,c){return"TEMPLATE"==c.raw.type?"READY":"ABORTED"==c.raw.status?""+a+"":""+a+""}},{text:"Download",dataIndex:"creationDate",name:"creationDate",renderer:function(a,b,c){if(null!=c){if("HPLC"==c.raw.type)return;return BUI.getZipHTMLByExperimentId(c.raw.experimentId,c.raw.name)}},width:100},{header:"Measurements",dataIndex:"percentageCollected",name:"percentageCollected",type:"string",renderer:function(a,b,c){return"TEMPLATE"!=c.raw.type&&"HPLC"!=c.raw.type?"
      "+BUI.getProgessBar(c.raw.percentageCollected.value,c.raw.percentageCollected.text)+"
      ":void 0},width:100},{header:"Averaged",dataIndex:"percentageMerged",name:"percentageMerged",type:"string",renderer:function(a,b,c){return"TEMPLATE"!=c.raw.type&&"HPLC"!=c.raw.type?"
      "+BUI.getProgessBar(c.raw.percentageMerged.value,c.raw.percentageMerged.text)+"
      ":void 0},width:100},{header:"Subtractions",dataIndex:"percentageAnalysed",name:"percentageAnalysed",type:"string",renderer:function(a,b,c){return"TEMPLATE"!=c.raw.type&&"HPLC"!=c.raw.type?"
      "+BUI.getProgessBar(c.raw.percentageAnalysed.value,c.raw.percentageAnalysed.text)+"
      ":void 0},width:100},{text:"time",dataIndex:"time",name:"time",hidden:!0,renderer:function(a){return a},width:100},{text:"Date",dataIndex:"date",name:"date",renderer:function(a){return a},width:100},{text:"Time",dataIndex:"creationDate",name:"creationDate",renderer:function(a){return moment(a).format(" HH:mm:ss")},width:100},{id:a.id+"GO",width:80,sortable:!1,renderer:function(a,b,c,d,e,f){return BUI.getGreenButton("GO")}}]},ExperimentGrid.prototype._editExperiment=function(a){null!=Ext.urlDecode(window.location.href).sessionId?location.href="viewProjectList.do?reqCode=display&experimentId="+a+"&sessionId="+Ext.urlDecode(window.location.href).sessionId:location.href="viewProjectList.do?reqCode=display&experimentId="+a},ExperimentGrid.prototype.input=function(){var a=DATADOC.getExperimentList_10();return{experiments:a,proposal:(new MeasurementGrid).input().proposal}},ExperimentGrid.prototype.test=function(a){var b=new ExperimentGrid({height:350,minHeight:350,width:1e3});BIOSAXS.proposal=new Proposal(b.input().proposal);var c=b.getPanel(b.input().experiments);b.refresh(b.input().experiments),c.render(a)},ExperimentHeaderForm.prototype.load=function(a){this.experiment=a,Ext.getCmp(this.id+"name").setValue(a.name),document.getElementById(this.id+"date").innerHTML="Created on "+a.creationDate,Ext.getCmp(this.id+"comments").setValue(a.json.comments)},ExperimentHeaderForm.prototype.getToolBar=function(){var a=this;return[{text:"Save",width:100,handler:function(){a.panel.setLoading();var b=function(b){a.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:b}).saxs.experiment.saveExperiment(a.experiment.experimentId,Ext.getCmp(a.id+"name").getValue(),Ext.getCmp(a.id+"comments").getValue())}},"->",Ext.create("Ext.button.Split",{text:"Download",menu:new Ext.menu.Menu({items:[{text:"For BsxCube on bm29",handler:function(){window.open(EXI.getDataAdapter().saxs.template.getTemplateSourceFile(a.experiment.experimentId,"bsxcube"))}},{text:"For Becquerel on p12",handler:function(){window.open(EXI.getDataAdapter().saxs.template.getTemplateSourceFile(a.experiment.experimentId,"becquerel"))}}]})})]},ExperimentHeaderForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:"vbox",buttons:this.getToolBar(),cls:"border-grid",items:[{xtype:"container",margin:"10 0 0 20",layout:"hbox",items:[{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"Name",id:this.id+"name"},{margin:"0 0 0 100",html:"
      "}]},{xtype:"textarea",fieldLabel:"Comments",margin:"0 0 10 20",width:600,height:80,id:this.id+"comments"}]}]}),this.panel},FrameSelectorGrid.prototype.loadData=function(a,b){function c(a){return"DataCollection"}function d(a){function b(a){var b=[];if(a.frametolist3VOs)for(var c=0;c0)){var d=a.substraction3VOs[a.substraction3VOs.length-1];c.push({text:d.substractedFilePath,subtractionId:d.subtractionId,type:"Subtraction",leaf:!0}),c.push({text:d.sampleAverageFilePath,subtractionId:d.subtractionId,type:"SampleAverage",leaf:!0}),c.push({text:d.bufferAverageFilePath,subtractionId:d.subtractionId,type:"BufferAverage",leaf:!0}),null!=d.sampleOneDimensionalFiles&&c.push({text:"Sample",leaf:!1,type:"Sample",children:b(d.sampleOneDimensionalFiles,"Sample")}),null!=d.bufferOneDimensionalFiles&&c.push({text:"Buffer",leaf:!1,type:"Buffer",children:b(d.bufferOneDimensionalFiles,"Buffer")})}return c}for(var e=this,f=[],g=0;g"+BUI.getRectangleColorDIV(this.hplcData[d].color,10,10)+" "+this.hplcData[d].label+"",id:b.id+e,param:e,enableToggle:!0,scope:this,toggleHandler:a,pressed:null!=b.plots[e]})}return c.push("-"),c.push({text:"Scale",enableToggle:!0,scope:this,pressed:this.scaled,icon:"../images/icon_graph.png",toggleHandler:function(a,c){b.scaled=c,b.reloadData(this.hplcData)}}),c.push("->"),c.push({text:"Save",scope:this,icon:"images/icon/ic_get_app_black_24dp.png",handler:function(a,b){var c=document.createElement("img");c.style.display="block",c.style.width="200px",c.style.height="200px",c.setAttribute("src",Dygraph.Export.asCanvas(this.dygraphObject.dygraph).toDataURL()), -window.open(Dygraph.Export.asCanvas(this.dygraphObject.dygraph).toDataURL(),"Image","")}}),c},HPLCGraph.prototype.scaledData=function(a){for(var b=0;bb&&(b=Number(a.data[d])),Number(a.std[d])>b&&(b=Number(a.std[d])),Number(a.data[d])a&&(a=0),0>c&&(c=0),a>c){var d=c;c=a,a=d}b.dygraphObject.dygraph.updateOptions({isZoomedIgnoreProgrammaticZoom:!0,dateWindow:[a,c]})}},"->",{xtype:"button",text:"Clear Selection",handler:function(){b.onClearSelection.notify()}}]})},HPLCGraph.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{padding:this.plotPanelPadding,items:[{html:"",id:this.id,flex:1,height:this.height}]}),this.panel.on("afterrender",function(a){document.getElementById(this.id).setAttribute("style","border: 1px solid #000000; height:"+(a.getHeight()-1)+"px;width:"+(a.getWidth()-50)+"px;")}),this.panel},HPLCGraph.prototype.input=function(){return DATADOC.getHPLCData()},HPLCGraph.prototype.getDataByFrameNumber=function(a){var b={};b.frameNumber=a;for(var c in this.hplcData)b[this.hplcData[c].label]=this.hplcData[c].data[a];return b},HPLCGraph.prototype.test=function(a){var b=new HPLCGraph({title:"I0",width:800,height:400,plots:{I0:!0,Rg:!0,Mass:!0},xlabel:"HPLC Frames",scaled:this.scaled,interactionModel:{dblclick:function(a,b,c){}}});b.getPanel().render(a),b.loadData(b.input())},MergesHPLCGraph.prototype.scaledData=HPLCGraph.prototype.scaledData,MergesHPLCGraph.prototype.divideValuesByMax=HPLCGraph.prototype.divideValuesByMax,MergesHPLCGraph.prototype.getMaxAndMinValue=HPLCGraph.prototype.getMaxAndMinValue,MergesHPLCGraph.prototype.getPoint=HPLCGraph.prototype.getPoint,MergesHPLCGraph.prototype.reloadData=HPLCGraph.prototype.reloadData,MergesHPLCGraph.prototype._renderDygraph=HPLCGraph.prototype._renderDygraph,MergesHPLCGraph.prototype.loadData=HPLCGraph.prototype.loadData,MergesHPLCGraph.prototype.getPanel=HPLCGraph.prototype.getPanel,MergesHPLCGraph.prototype.getDataByFrameNumber=HPLCGraph.prototype.getDataByFrameNumber,MergesHPLCGraph.prototype.setPeaks=function(a){this.peaks=a,this.peakKeys=[],this.colorPeak={};var b=1;for(var c in this.peaks)if(this.peaks.hasOwnProperty(c)){var d=this.peakColors[b%this.peakColors.length];b+=1,this.peakKeys.push(c),this.colorPeak[c]=d}this.peakKeys.sort()},MergesHPLCGraph.prototype.getMenu=function(){function a(a,c){c?b.plots[a.param]=!0:delete b.plots[a.param],b.reloadData(b.hplcData)}var b=this,c=[];if(null!=this.peaks){for(var d=[],e=0;ePeak #"+e+" "+this.peakKeys[e].replace("- "," to #").replace(".0","").replace(".0","")+"",peakid:this.peakKeys[e],checked:!1,checkHandler:function(b,c){var d=new Object;d.param=b.peakid,a(d,c)}})}var g=Ext.create("Ext.menu.Menu",{id:"mainMenu",style:{overflow:"visible"},items:d}),h=Ext.create("Ext.toolbar.Toolbar");h.add({text:"Peaks Avg.",menu:g}),c.push(h)}for(var e=0;e"+BUI.getRectangleColorDIV(this.hplcData[e].color,10,10)+" "+this.hplcData[e].label+"",id:b.id+i,param:i,enableToggle:!0,scope:this,margin:5,toggleHandler:a,pressed:null!=b.plots[i]})}return c.push("->"),c.push({text:"Save",scope:this,icon:"images/icon/ic_get_app_black_24dp.png",handler:function(a,b){var c=document.createElement("img");c.style.display="block",c.style.width="200px",c.style.height="200px",c.setAttribute("src",Dygraph.Export.asCanvas(this.dygraphObject.dygraph).toDataURL()),window.open(Dygraph.Export.asCanvas(this.dygraphObject.dygraph).toDataURL(),"Image","")}}),c},MergesHPLCGraph.prototype.input=function(){return DATADOC.getScatteringHPLCFrameData()},MergesHPLCGraph.prototype.test=function(a){var b=new MergesHPLCGraph({title:"Scattering",width:this.plotWidth,height:500,showRangeSelector:!1,xParam:0,xlabel:"scattering_I",plots:{scattering_I:!0,subtracted_I:!0,buffer_I:!0}});b.getPanel().render(a),b.loadData(b.input())},MacromoleculeForm.prototype._getFieldTextWithHelp=function(a,b,c,d){return Ext.create("Ext.container.Container",{items:[{xtype:a,fieldLabel:b,name:c,id:this.id+c},{xtype:"label",forId:"myFieldId",text:d,margin:"5 0 0 105",cls:"inline-help"}]})},MacromoleculeForm.prototype._getNumericWithHelp=function(a,b,c,d){return Ext.create("Ext.container.Container",{margin:"0 0 0 10",items:[{xtype:a,fieldLabel:b,name:c,id:this.id+c,decimalPrecision:6,width:220},{xtype:"label",forId:"myFieldId",text:d,margin:"5 0 0 10",cls:"inline-help"}]})},MacromoleculeForm.prototype._getButtons=function(){var a=this;return[{text:"Save",handler:function(){a._save()}}]},MacromoleculeForm.prototype._persist=function(a,b,c,d,e,f,g,h){var i=Ext.getCmp("proposalIdCombo").getValue();if(null==i)return void BUI.showError("Please select a proposal");if(null==a&&null!=EXI.proposalManager.getMacromoleculeByAcronym(b))return void BUI.showError("Duplicated acronym");null==a?(this.macromolecule={},this.macromolecule.macromoleculeId=null):this.macromolecule.macromoleculeId=a,this.macromolecule.acronym=b,this.macromolecule.name=c,this.macromolecule.molecularMass=d,this.macromolecule.extintionCoefficient=e,this.macromolecule.comments=f,this.macromolecule.symmetry=Ext.getCmp(this.id+"comboSym").getValue(),this.macromolecule.refractiveIndex=g,this.macromolecule.solventViscosity=h,this.macromolecule.proposalId=i;var j=this,k=function(a,b){var c=function(a,b){j.panel.setLoading(!1),j.onSave.notify(),j.onClose.notify()};j.panel.setLoading("Updading proposal information"),EXI.getDataAdapter({onSuccess:c}).proposal.proposal.update()};this.panel.setLoading("Saving Macromolecule"),EXI.getDataAdapter({onSuccess:k}).saxs.macromolecule.saveMacromolecule(this.macromolecule)},MacromoleculeForm.prototype._save=function(){var a=this._getField("acronym"),b=this._getField("name"),c=this._getField("molecularMass"),d=this._getField("extintionCoefficient"),e=this._getField("comments"),f=this._getField("refractiveIndex"),g=this._getField("solventViscosity");return""==b?void BUI.showError("Name field is mandatory"):""==a?void BUI.showError("Acroynm field is mandatory"):void(null!=this.macromolecule?null==this.macromolecule.macromoleculeId?this._persist(null,a,b,c,d,e,f,g):this._persist(this.macromolecule.macromoleculeId,a,b,c,d,e,f,g):this._persist(null,a,b,c,d,e,f,g))},MacromoleculeForm.prototype._getItems=function(){var a=Ext.create("Ext.data.Store",{fields:["s"],data:this._getSymmetries()});return this.symmetryComboBox=Ext.create("Ext.form.ComboBox",{fieldLabel:"Symmetry",store:a,id:this.id+"comboSym",queryMode:"local",displayField:"s",valueField:"s",value:"P1",margin:"0 0 0 30",width:220}),[BIOSAXS_COMBOMANAGER.getComboProposal({labelWidth:100}),this._getFieldTextWithHelp("requiredtextfield","Name","name","Long name. i.e: Bovine serum albumin"),this._getFieldTextWithHelp("requiredtextfield","Acronym","acronym","Acronym will be used in the files and analisys. i.e: BSA"),this._getFieldTextWithHelp("textfield","Mol. Mass (Da)","molecularMass","Atomic mass estimation measured in Da"),{xtype:"container",layout:"hbox",margin:"10 0 0 0",items:[this._getNumericWithHelp("numberfield","Extinction coef.","extintionCoefficient",""),this.symmetryComboBox]},{xtype:"container",layout:"hbox",margin:"5 0 0 0",items:[this._getNumericWithHelp("numberfield","Refractive Index","refractiveIndex","How radiation propagates through the medium"),this._getNumericWithHelp("numberfield","Solvent Viscosity","solventViscosity","")]},{id:this.id+"comments",xtype:"textareafield",name:"comments",margin:"35 0 0 10",fieldLabel:"Comments",width:this.width-100,height:100}]},MacromoleculeForm.prototype._getSymmetries=function(){return[{s:"P1"},{s:"P2"},{s:"P3"},{s:"P4"},{s:"P5"},{s:"P6"},{s:"P32"},{s:"P42"},{s:"P52"},{s:"P62"},{s:"P222"}]},MacromoleculeForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:"hbox",buttons:this._getButtons(),cls:"border-grid",items:[{xtype:"container",margin:"20 0 0 20",layout:"vbox",items:this._getItems()}]}),this.panel},MacromoleculeForm.prototype._populateField=function(a,b){null!=b&&Ext.getCmp(this.id+a).setValue(b)},MacromoleculeForm.prototype._getField=function(a){return Ext.getCmp(this.id+a).getValue()},MacromoleculeForm.prototype.load=function(a){this.macromolecule=a,null!=a&&(this._populateField("name",a.name),this._populateField("acronym",a.acronym),this._populateField("extintionCoefficient",a.extintionCoefficient),this._populateField("molecularMass",a.molecularMass),this._populateField("comments",a.comments),this._populateField("refractiveIndex",a.refractiveIndex),this._populateField("solventViscosity",a.solventViscosity),null!=a.symmetry&&Ext.getCmp(this.id+"comboSym").setValue(a.symmetry),null!=this.macromolecule.proposalId&&(Ext.getCmp("proposalIdCombo").setValue(this.macromolecule.proposalId),Ext.getCmp("proposalIdCombo").disable()))},MacromoleculeForm.prototype.input=function(){return{}},MacromoleculeForm.prototype.test=function(a){var b=new MacromoleculeForm;b.onClose.attach(function(a){alert("Click on close")});var c=b.getPanel();c.render(a)},MacromoleculeGrid.prototype.edit=function(a){var b=this,c=new MacromoleculeWindow;c.onSave.attach(function(a){b.store.loadData(EXI.proposalManager.getMacromolecules())}),c.draw(a)},MacromoleculeGrid.prototype.getTbar=function(){var a=this,b=[];return b.push(Ext.create("Ext.Action",{icon:"images/icon/add.png",text:"Add",disabled:!1,handler:function(b,c){a.edit()}})),b.push("->"),b.push(Ext.create("Ext.Action",{icon:"images/icon/refresh.png",text:"Update From SMIS",tooltip:"Retrieve all the macromolecules of your proposal from SMIS database",disabled:!1,handler:function(b,c){a.grid.setLoading("Connecting to SMIS");var d=new BiosaxsDataAdapter;d.onSuccess.attach(function(b,c){BIOSAXS.proposal.setMacromolecules(c.macromolecules),a.refresh(BIOSAXS.proposal.macromolecules),a.grid.setLoading(!1)}),d.onError.attach(function(b,c){a.grid.setLoading(!1)}),d.updateDataBaseFromSMIS()}})),b},MacromoleculeGrid.prototype.deselectAll=function(){this.grid.getSelectionModel().deselectAll()},MacromoleculeGrid.prototype.selectById=function(a){this.grid.getSelectionModel().deselectAll();for(var b=0;b"+b+"":b}},{text:"Name",dataIndex:"name",id:this.id+"name",flex:1,hidden:!1},{text:"Comments",dataIndex:"comments",id:this.id+"comments",flex:1,hidden:!1}];return this.btnEditVisible&&b.push({xtype:"actioncolumn",width:40,text:"Edit",items:[{icon:"images/icon/edit.png",tooltip:"Edit",handler:function(b,c,d){var e=b.getStore().getAt(c);a.edit(EXI.proposalManager.getMacromoleculeById(e.get("macromoleculeId")))}}]}),this.btnRemoveVisible&&b.push({id:a.id+"buttonRemoveMacromolecule",width:85,sortable:!1,renderer:function(b,c,d,e,f,g){return a.btnRemoveVisible?BUI.getRedButton("REMOVE"):null}}),b},MacromoleculeGrid.prototype._prepareData=function(a){return a},MacromoleculeGrid.prototype.getPanel=function(a){var b=this;this.store=Ext.create("Ext.data.Store",{fields:["macromoleculeId","name","acronym","comments"],data:b._prepareData(a)}),this.store.sort("acronym");var c="Ext.grid.Panel";1==this.searchBar&&(c="Ext.ux.LiveSearchGridPanel");var d=null;return this.multiselect&&(d=Ext.create("Ext.selection.CheckboxModel",{multiSelect:this.multiselect,listeners:{selectionchange:function(a,c){for(var d=[],e=0;ee;e++)d.push({acronym:EXI.proposalManager.getMacromoleculeById(a.getValue()).acronym,macromoleculeId:a.getValue(),bufferId:b.getValue(),buffer_acronym:EXI.proposalManager.getBufferById(b.getValue()).acronym,concentration:Ext.getCmp(this.id+"conc").getValue(),volumeToLoad:Ext.getCmp(this.id+"volume").getValue(),exposureTemperature:Ext.getCmp(this.id+"seu").getValue(),transmission:Ext.getCmp(this.id+"transmission").getValue(),waitTime:Ext.getCmp(this.id+"waitTime").getValue(),viscosity:Ext.getCmp(this.id+"viscosity").getValue(),flow:Ext.getCmp(this.id+"flow").getValue()});this.measurementGrid.store.loadData(d,!0),this.setData(JSON.parse(Ext.encode(Ext.pluck(this.measurementGrid.grid.getStore().data.items,"data"))))}});return Ext.create("Ext.panel.Panel",{padding:"0 0 0 0",margin:"0 10 0 0",height:240,width:1150,cls:"border-grid",items:[{xtype:"container",layout:"hbox",margin:"10 10 0 10",items:[a,b,{xtype:"numberfield",id:this.id+"quantity",fieldLabel:"Repeat",labelWidth:100,width:220,margin:"5 0 0 120",minValue:0,maxValue:300,value:1}]},{xtype:"container",layout:"hbox",margin:"10 10 0 10",items:[{xtype:"numberfield",id:this.id+"conc",fieldLabel:"Conc. (mg/ml)",labelWidth:100,width:220,margin:"5 0 0 0",minValue:0,maxValue:300,value:1},{xtype:"numberfield",id:this.id+"seu",fieldLabel:"Exposure. Temp.",labelWidth:100,width:220,margin:"5 0 0 80",value:4,minValue:4,maxValue:60}]},{xtype:"container",margin:"10 10 0 10",layout:"hbox",items:[{xtype:"numberfield",id:this.id+"volume",fieldLabel:"Vol. To Load (µl)",labelWidth:100,width:220,value:40,margin:"5 0 0 0",minValue:10,maxValue:300},{xtype:"numberfield",id:this.id+"transmission",fieldLabel:"Transmission (%)",labelWidth:100,width:220,margin:"5 0 0 80",value:100,minValue:0,maxValue:100}]},{xtype:"container",layout:"hbox",margin:"10 10 0 10",items:[{xtype:"numberfield",id:this.id+"waitTime",fieldLabel:"Wait Time",labelWidth:100,width:220,value:0,minValue:0,maxValue:100},{xtype:"combo",id:this.id+"viscosity",store:["low","medium","high"],fieldLabel:"SC Viscosity",value:"low",labelWidth:100,width:220,margin:"0 0 0 80"},{xtype:"checkbox",id:this.id+"flow",checked:!0,fieldLabel:"Flow",labelWidth:100,width:250,margin:"0 0 0 80"}]},{xtype:"container",layout:"hbox",margin:"10 0 0 0",items:[c]}]})},MeasurementCreatorStepWizardForm.prototype.getConcentrationMeasurementForm=function(){var a=BIOSAXS_COMBOMANAGER.getComboMacromoleculeByMacromolecules(this.macromolecules,{width:300,labelWidth:100}),b=BIOSAXS_COMBOMANAGER.getComboBuffers(this.buffers,{width:300,labelWidth:100}),c=Ext.create("Ext.Button",{width:200,height:25,margin:"0 0 20 300",text:"Add",scope:this,handler:function(){for(var c=a.getValue(),d=b.getValue(),e=Ext.getCmp(this.id+"_cs_conc").getValue(),f=Ext.getCmp(this.id+"_cs_volume").getValue(),g=Ext.getCmp(this.id+"_cs_transmission").getValue(),h=Ext.getCmp(this.id+"_cs_seu").getValue(),i=Ext.getCmp(this.id+"_cs_waitTime").getValue(),j=Ext.getCmp(this.id+"_cs_viscosity").getValue(),k=Ext.getCmp(this.id+"_cs_flow").getValue(),l=[],m=1;e>=m;m++)l.push({acronym:EXI.proposalManager.getMacromoleculeById(c).acronym,macromoleculeId:c,bufferId:d,buffer_acronym:EXI.proposalManager.getBufferById(d).acronym,concentration:m,volumeToLoad:f,exposureTemperature:h,transmission:g,waitTime:i,viscosity:j,flow:k});this.measurementGrid.store.loadData(l,!0),this.setData(JSON.parse(Ext.encode(Ext.pluck(this.measurementGrid.store.data.items,"data"))))}});return Ext.create("Ext.panel.Panel",{margin:"0 10 0 0",height:200,width:1150,cls:"border-grid",items:[{xtype:"container",layout:"hbox",items:[{xtype:"numberfield",id:this.id+"_cs_conc",fieldLabel:"How many unknow concentrations do you have?",labelWidth:300,width:500,margin:"5 0 0 10",minValue:1,maxValue:20,value:1}]},{xtype:"container",margin:"10 0 0 10",layout:"hbox",items:[a,{xtype:"numberfield",id:this.id+"_cs_seu",fieldLabel:"Exposure. Temp.",labelWidth:100,width:220,margin:"5 0 0 20",value:4,minValue:4,maxValue:60},{xtype:"numberfield",margin:"5 0 0 50",id:this.id+"_cs_volume",fieldLabel:"Vol. To Load (µl)",labelWidth:100,width:220,value:40,minValue:10,maxValue:300},{xtype:"numberfield",id:this.id+"_cs_transmission",fieldLabel:"Transmission (%)",labelWidth:100,width:220,margin:"5 0 0 50",value:100,minValue:0,maxValue:100}]},{xtype:"container",layout:"hbox",margin:"5 0 0 10",items:[b,{xtype:"numberfield",id:this.id+"_cs_waitTime",fieldLabel:"Wait Time",labelWidth:100,width:220,value:0,minValue:0,maxValue:100,margin:"5 0 0 20"},{xtype:"combo",id:this.id+"_cs_viscosity",store:["low","medium","high"],fieldLabel:"SC Viscosity",value:"low",margin:"5 0 0 50",labelWidth:100,width:220},{xtype:"checkbox",id:this.id+"_cs_flow",fieldLabel:"Flow",checked:!0,labelWidth:100,width:250,margin:"0 0 0 80"}]},{xtype:"container",layout:"hbox",margin:"20 0 0 0",items:[c]}]})},MeasurementCreatorStepWizardForm.prototype.getHeaderForm=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:"hbox",height:100,items:[{xtype:"textfield",name:"Name",id:this.id+"name",width:400,labelWidth:50,fieldLabel:"Name",margin:"20 20 20 20",value:""},{id:this.id+"comments",xtype:"textareafield",name:"comments",fieldLabel:"Comments",height:75,labelWidth:100,margin:"20 20 20 50",width:600}]}),this.panel},MeasurementCreatorStepWizardForm.prototype.getForm=function(){var a=this;return this.formPanel=Ext.create("Ext.tab.Panel",{padding:"0 0 0 0",plain:!0,margin:"20 5 20 10",height:290,items:[{tabConfig:{title:"Concentration Series"},items:this.getConcentrationMeasurementForm()},{tabConfig:{title:"Individual Measurement"},items:[this.getSingleMeasurementForm()]}]}),this.measurementGrid=new MeasurementGrid({height:250,maxHeight:250,minHeight:250,width:1150,tbar:!1,maxWidth:870,resizable:!1,margin:"0 10 10 10",isStatusColumnHidden:!0,isTimeColumnHidden:!0,removeBtnEnabled:!0,isPriorityColumnHidden:!0}),this.measurementGrid.onRemoved.attach(function(b,c){a.setData(JSON.parse(Ext.encode(Ext.pluck(a.measurementGrid.grid.getStore().data.items,"data"))))}),this.panel=Ext.create("Ext.panel.Panel",{plain:!0,frame:!1,border:0,items:[this.getHeaderForm(),this.formPanel,this.addButton,this.measurementGrid.getPanel([])]}),null!=this.data.measurementsSelected&&(this.measurementGrid.grid.getStore().loadData(this.data.measurementsSelected,!1),this.setData(JSON.parse(Ext.encode(Ext.pluck(this.measurementGrid.grid.getStore().data.items,"data"))))),this.panel},MeasurementCreatorStepWizardForm.prototype.getBuffers=function(a){for(var b={},c=null,d=0;de;e++)b.push({plate:2,row:Math.floor(e/3)+1,well:Number(Number(e%3)+9)});for(var f=0,e=0;32>e;e++){var g={plate:2,row:Math.floor(e/8)+1,well:Number(e%8)+1-f};c.push(g)}}for(var d=0;d',autoScroll:!0}},MeasurementGrid.prototype._prepareData=function(a,b){for(var c=[],d=0;d0)for(var i=b.getDataCollectionByMeasurementId(e.measurementId)[0].measurementtodatacollection3VOs,j=0;j0;)b.removeChild(b.childNodes[0])},DOM.select=function(a){return document.getElementById(a)},GraphCanvas.prototype.showLabels=function(a){this.args.labeled=a,this.removeLabels(),a&&this.renderLabels()},GraphCanvas.prototype.getSelectedVertices=function(){return this.args.selectedVertices},GraphCanvas.prototype.getSelectedEdges=function(){var a=[];for(var b in this.args.isEdgeSelected)a.push(b);return a},GraphCanvas.prototype.createSVGDom=function(a,b,c,d,e){var f=document.getElementById(a);return this._svg=SVG.createSVGCanvas(f,[["style","background-color:"+e+";"],["id",b],["dragx",0],["dragy",0],["height",this.getFormatter().getHeight()],["width",this.getFormatter().getWidth()]]),this._svg},GraphCanvas.prototype.isMultipleSelectionEnabled=function(){return this.args.multipleSelectionEnabled},GraphCanvas.prototype.setMultipleSelection=function(a){this.args.multipleSelectionEnabled=a,this.args.draggingCanvasEnabled=!a},GraphCanvas.prototype.setSelecting=function(a){this.selecting=a},GraphCanvas.prototype.setLinking=function(a){this.args.linkEnabled=a,this.selecting=!a,this.dragging=!a},GraphCanvas.prototype.setDraggingCanvas=function(a){this.args.draggingCanvasEnabled=a,this.args.multipleSelectionEnabled=!a},GraphCanvas.prototype.isDraggingCanvasEnabled=function(){return this.args.draggingCanvasEnabled},GraphCanvas.prototype.getScale=function(){return this.getFormatter().getZoomScale()},GraphCanvas.prototype.setScale=function(a){var b=document.getElementById(this.args.idGraph);b.setAttribute("transform",b.getAttribute("transform").replace("scale("+this.getScale()+")","scale("+a+")")),this.getFormatter().setZoomScale(a)},GraphCanvas.prototype.zoomIn=function(){this.setScale(this.getScale()+this.getFormatter().getZoomScaleStepFactor())},GraphCanvas.prototype.zoomOut=function(){this.setScale(this.getScale()-this.getFormatter().getZoomScaleStepFactor())},GraphCanvas.prototype.getSVGCoordenates=function(a){var b=this._svg.createSVGPoint();b.x=a.clientX,b.y=a.clientY;var c=this._svg.getScreenCTM(document.documentElement);return b=b.matrixTransform(c.inverse())},GraphCanvas.prototype.mouseClick=function(a){if(0==a.button){if(!this.args.interactive)return;this.isVertex(a.target)&&this.clickNode(this.getVertexIdFromSVGId(a.target.id)),this.dragging&&(this.dragging=!1)}},GraphCanvas.prototype.mouseMove=function(a){if(this.selecting){this.clearLabels();var b=this.getSVGCoordenates(a).x-this.selectorX,c=this.getSVGCoordenates(a).y-this.selectorY;b>0&&c>0&&this.displaySelection(this.selectorX,this.selectorY,b,c),b>0&&0>c&&this.displaySelection(this.selectorX,this.getSVGCoordenates(a).y,b,Math.abs(c)),0>b&&0>c&&this.displaySelection(this.getSVGCoordenates(a).x,this.getSVGCoordenates(a).y,Math.abs(b),Math.abs(c)),0>b&&c>0&&this.displaySelection(this.selectorX+b,this.selectorY,Math.abs(b),Math.abs(c));var d=(parseFloat(this.selectorSVGNode.getAttribute("x"))-DOM.select(this.id).getAttribute("dragx"))/this.getFormatter().getWidth(),e=(parseFloat(this.selectorSVGNode.getAttribute("y"))-DOM.select(this.id).getAttribute("dragy"))/this.getFormatter().getHeight(),f=d+parseFloat(this.selectorSVGNode.getAttribute("width")/this.getFormatter().getWidth()),g=e+parseFloat(this.selectorSVGNode.getAttribute("height")/this.getFormatter().getHeight());this.deselectNodes(this.getLayout());for(var h=this.getLayout().getVerticesByArea(d/this.getFormatter().getZoomScale(),e/this.getFormatter().getZoomScale(),f/this.getFormatter().getZoomScale(),g/this.getFormatter().getZoomScale()),i=0;i=this.args.maxNumberEdgesMoving&&this.moveEdge(b)}if(this.selecting){this.setSelecting(!1);for(var c=(parseFloat(this.selectorSVGNode.getAttribute("x"))-DOM.select(this.id).getAttribute("dragx"))/this.getFormatter().getWidth(),d=(parseFloat(this.selectorSVGNode.getAttribute("y"))-DOM.select(this.id).getAttribute("dragy"))/this.getFormatter().getHeight(),e=c+parseFloat(this.selectorSVGNode.getAttribute("width")/this.formatter.getWidth()),f=d+parseFloat(this.selectorSVGNode.getAttribute("height")/this.formatter.getHeight()),g=this.getLayout().getVerticesByArea(c/this.getFormatter().getZoomScale,d/this.getFormatter().getZoomScale,e/this.getFormatter().getZoomScale,f/this.getFormatter().getZoomScale),h=0;h")+6;return a.substr(b,c)},GraphCanvas.prototype.draw=function(a,b,c){this.setDataset(a),this.setFormatter(b),this.setLayout(c);var d=this;this.getFormatter().changed.attach(function(a,b){d.removeNode(b.getId()),d.renderNode(b.getId()),d.args.labeled&&(d.removeLabel(b.getId()),d.renderLabel(b.getId()))}),this.getFormatter().edgeChanged.attach(function(a,b){d.removeEdge(b.getId()),d.renderEdge(b.getId())}),this.getFormatter().resized.attach(function(a,b){d.resize(d.getFormatter().getWidth(),d.getFormatter().getHeight())}),this.getFormatter().backgroundImageChanged.attach(function(a,b){d.setBackgroundImage(d.getFormatter().getBackgroundImage())}),this.getFormatter().backgroundColorChanged.attach(function(a,b){d._setBackgroundColor(d.getFormatter().getBackgroundColor())}),this.getLayout().changed.attach(function(a,b){d.moveNode(b.getId()),d.moveEdge(b.getId()),d.args.labeled&&(d.removeLabel(b.getId()),d.renderLabel(b.getId()))}),this.getDataset().newVertex.attach(function(a,b){d.renderNode(b.getId()),d.args.labeled&&d.renderLabel(b.getId())}),this.getDataset().newEdge.attach(function(a,b){d.renderEdge(b.getId())}),this.getDataset().vertexDeleted.attach(function(a,b){d.removeNode(b.getId()),d.args.labeled&&d.removeLabel(b.getId())}),this.getDataset().edgeDeleted.attach(function(a,b){d.removeEdge(b.getId())}),this.getDataset().vertexNameChanged.attach(function(a,b){d.args.labeled&&(d.removeLabel(b.item.getId()),d.removeLabel(b.item.getId()),d.renderLabel(b.item.getId()))}),this.init(),this.render()},GraphCanvas.prototype.render=function(){for(var a in this.getDataset().getVertices())this.renderNode(a);this.renderLabels(),this.renderEdges()},GraphCanvas.prototype.renderLabels=function(){if(this.args.labeled)for(var a in this.getDataset().getVertices())this.renderLabel(a)},GraphCanvas.prototype.removeLabels=function(){for(var a in this.getDataset().getVertices())this.removeLabel(a)},GraphCanvas.prototype.isNodeCanvas=function(a){return a.id==this.args.idGraph||a.id==this.id},GraphCanvas.prototype.isNodeBackground=function(a){return a.id==this.args.idBackgroundNode},GraphCanvas.prototype.isVertex=function(a){return null!=a.getAttribute("id")&&-1!=a.getAttribute("id").indexOf("_v_")},GraphCanvas.prototype.isLabel=function(a){return null!=a.getAttribute("id")&&-1!=a.getAttribute("id").indexOf("_l_")},GraphCanvas.prototype.isEdge=function(a){return null!=a.getAttribute("id")&&-1!=a.getAttribute("id").indexOf("_e_")},GraphCanvas.prototype.resize=function(a,b){null!=this.NodeSVGbackgroundImage&&(this.NodeSVGbackgroundImage.setAttribute("width",a),this.NodeSVGbackgroundImage.setAttribute("height",b)),this._svg.setAttribute("width",a),this._svg.setAttribute("height",b),this.clearCanvas(),this.render()},GraphCanvas.prototype.clearCanvas=function(){DOM.removeChilds(this.GraphEdgeGroup.getAttribute("id")),DOM.removeChilds(this.GraphNodeGroup.getAttribute("id")),this.clearLabels()},GraphCanvas.prototype.clearLabels=function(){DOM.removeChilds(this.GraphLabelGroup.getAttribute("id"))},GraphCanvas.prototype.getSVGNodeId=function(a){return this.id+"_v_"+a},GraphCanvas.prototype.getSVGEdgeId=function(a){return this.id+"_e_"+a},GraphCanvas.prototype.getSVGArrowEdgeId=function(a){return this.id+"_arrow_"+a},GraphCanvas.prototype.getSVGLabelId=function(a){return this.id+"_l_"+a},GraphCanvas.prototype.blinkVertexById=function(a){$("#"+this.getSVGNodeId(a)).fadeIn().fadeOut().fadeIn().fadeOut().fadeIn().fadeOut()},GraphCanvas.prototype.getVertexIdFromSVGId=function(a){return a.replace(this.id,"").replace("_v_","")},GraphCanvas.prototype.getEdgeIdFromSVGId=function(a){return a.replace(this.id,"").replace("_e_","")},GraphCanvas.prototype.getVertexById=function(a){return document.getElementById(this.getSVGNodeId(a))},GraphCanvas.prototype.renderNodes=function(){for(var a in this.getDataset().getVertices())this.renderNode(a)},GraphCanvas.prototype.overNode=function(a){if(this.args.interactive&&null==this.args.isVertexSelected[a]){var b=this.getFormatter().getVertexById(a).getOver();b.args.cursor="pointer",this.changeVertexFormat(a,b)}},GraphCanvas.prototype.outNode=function(a){this.args.interactive&&null==this.args.isVertexSelected[a]&&this.changeVertexFormat(a,this.getFormatter().getVertexById(a).getDefault())},GraphCanvas.prototype.overLabel=function(a){this.overNode(a)},GraphCanvas.prototype.outLabel=function(a){this.outNode(a)},GraphCanvas.prototype.clickNode=function(a){this.args.interactive&&(null==this.args.isVertexSelected[a]?this.selectNode(a):this.deselectNode(a))},GraphCanvas.prototype.selectNode=function(a){for(var b=0;bb&&(this.args.isVertexSelected[c]=this.args.isVertexSelected[c]-1)}},GraphCanvas.prototype.deselectNodes=function(){for(var a=JSON.parse(JSON.stringify(this.getSelectedVertices())),b=0;b=0?this.type=a.type:this.type="Puck"),null!=a.capacity&&16!=a.capacity&&(this.data.puckType="Spinepuck")),this.onContainerRemoved=new Event(this)}function ContainerTypeComboBox(a){this.id=BUI.id(),this.label="Choose Container Type:",this.labelWidth=200,this.width=500,this.initDisabled=!1,this.data=[{type:"UNIPUCK",capacity:16},{type:"SPINE",capacity:10},{type:"PLATE",capacity:96}],a&&(a.label&&(this.label=a.label),a.labelWidth&&(this.labelWidth=a.labelWidth),a.width&&(this.width=a.width),null!=a.extraOptions&&(this.data=_.union(this.data,a.extraOptions)),null!=a.initDisabled&&(this.initDisabled=a.initDisabled)),this.onSelected=new Event(this)}function ContainerWidget(a){this.id=BUI.id(),this.templateData={id:this.id,xmargin:0,ymargin:0,mainRadius:50,width:100,height:100,r:20,enableMainClick:!1,enableMainMouseOver:!1},this.containerId=0,this.samples=null,this.code="",a&&(a.code&&(this.code=a.code),a.containerId&&(this.containerId=a.containerId),a.xMargin&&(this.templateData.xMargin=a.xMargin),a.yMargin&&(this.templateData.yMargin=a.yMargin),null!=a.enableMainClick&&(this.templateData.enableMainClick=a.enableMainClick),null!=a.enableMainMouseOver&&(this.templateData.enableMainMouseOver=a.enableMainMouseOver),a.mainRadius&&(this.templateData.mainRadius=a.mainRadius,this.templateData.width=2*a.mainRadius,this.templateData.height=2*a.mainRadius,this.templateData.r=a.mainRadius/5)),this.onClick=new Event(this),this.onMouseOver=new Event(this),this.onMouseOut=new Event(this)}function CurvePlotter(a){this.id=BUI.id(),this.backgroundColor="#FFFFFF",this.margin="0 0 0 5",this.ruleColor="black",this.targetId="plotCanvas"+BUI.id(),this.legend="onmouseover",null!=a&&(null!=a.margin&&(this.margin=a.margin),null!=a.legend&&(this.legend=a.legend),null!=a.targetId&&(this.targetId=a.targetId)),this.onRendered=new Event(this),this.onPointClickCallback=new Event}function AutoProcIntegrationCurvePlotter(a){CurvePlotter.call(this,a),this.margin="10 0 0 0",this.height=null,this.title="",null!=a&&(null!=a.height&&(this.height=a.height),null!=a.title&&(this.title=a.title)),this.data={labels:[],data:[]},this.xLabels=[]}function ParcelPanel(a){this.test="A",this.id=BUI.id(),this.height=500,this.width=500,this.index=0,this.containersPanelHeight=400,this.containersPanelWidth=9*this.width/12-30,this.containersParcelWidth=2*this.containersPanelHeight*.9/2+20,this.shippingId=0,this.shippingStatus="",this.containersPanel=null,this.isSaveButtonHidden=!1,this.isHidden=!1,null!=a&&(null!=a.height&&(this.height=a.height,this.containersPanelHeight=.9*this.height,this.containersParcelWidth=2*this.containersPanelHeight*.9/2+20),null!=a.width&&(this.width=a.width,this.containersPanelWidth=9*this.width/12-30),null!=a.index&&(this.index=a.index),null!=a.shippingId&&(this.shippingId=a.shippingId),null!=a.shippingStatus&&(this.shippingStatus=a.shippingStatus)),this.onSavedClick=new Event(this)}function ProposalGrid(a){this.height=500,this.tbar=!1,this.id=BUI.id(),this.margin="0 0 0 0",null!=a&&(null!=a.height&&(this.height=a.height),null!=a.searchBar&&(this.searchBar=a.searchBar),null!=a.tbar&&(this.tbar=a.tbar),null!=a.collapsed&&(this.collapsed=a.collapsed),null!=a.width&&(this.width=a.width),null!=a.margin&&(this.margin=a.margin)),this.onSelected=new Event(this)}function SessionGrid(a){this.height=500,this.tbar=!1,this.id=BUI.id(),this.width=null,this.title=null,this.margin=10,this.hiddenGoColumn=!0,this.isHiddenTitle=!0,this.isHiddenNumberOfShifts=!0,this.isHiddenPI=!0,this.isHiddenLocalContact=!0,this.layout="fit",this.beamlineFilter=[],null!=a&&(null!=a.isHiddenLocalContact&&(this.isHiddenLocalContact=a.isHiddenLocalContact),null!=a.isHiddenNumberOfShifts&&(this.isHiddenNumberOfShifts=a.isHiddenNumberOfShifts),null!=a.width&&(this.width=a.width),null!=a.isHiddenTitle&&(this.isHiddenTitle=a.isHiddenTitle),null!=a.isHiddenPI&&(this.isHiddenPI=a.isHiddenPI),null!=a.title&&(this.title=a.title),null!=a.margin&&(this.margin=a.margin),null!=a.height&&(this.height=a.height),null!=a.tbar&&(this.tbar=a.tbar),null!=a.width&&(this.width=a.width,this.layout=null),null!=a.hiddenGoColumn&&(this.hiddenGoColumn=a.hiddenGoColumn)),this.onSelected=new Event(this)}function StockSolutionContainer(a){if(this.id=BUI.id(),this.templateData={id:this.id,xmargin:0,ymargin:0,mainRadius:50,width:100,height:100,imgH:42,imgW:42,margin:15,stockId:0,enableMainClick:!1,code:"",enableClick:!1,enableMainMouseOver:!1},this.stockSolutionId=0,this.samples=null,this.code="",a&&(a.code&&(this.code=a.code),a.xMargin&&(this.templateData.xMargin=a.xMargin),a.yMargin&&(this.templateData.yMargin=a.yMargin),null!=a.enableMainClick&&(this.templateData.enableMainClick=a.enableMainClick),null!=a.enableMainClick&&(this.templateData.enableMainClick=a.enableMainClick),a.mainRadius&&(this.templateData.mainRadius=a.mainRadius,this.templateData.width=2*a.mainRadius,this.templateData.height=2*a.mainRadius,this.templateData.imgH=.7*this.templateData.height,this.templateData.imgW=.7*this.templateData.width,this.templateData.margin=.5*(this.templateData.width-this.templateData.imgW)),a.code&&(this.templateData.code=a.code),null!=a.enableClick&&(this.templateData.enableClick=a.enableClick),a.stockSolutionId)){this.stockSolutionId=a.stockSolutionId;var b=EXI.proposalManager.getStockSolutionById(this.stockSolutionId);this.templateData.macromoleculeAcronym=EXI.proposalManager.getMacromoleculeById(b.macromoleculeId).acronym,this.templateData.buffer=EXI.proposalManager.getBufferById(b.bufferId).acronym,this.templateData.stockId=this.stockSolutionId}this.onClick=new Event(this),this.onMouseOver=new Event(this),this.onMouseOut=new Event(this)}function StockSolutionsGrid(a){this.id=BUI.id(),this.width=600,this.padding=0,null!=a&&(null!=a.width&&(this.width=a.width),null!=a.width&&(this.padding=a.padding)),this.onSelected=new Event(this)}function UploaderWidget(a){this.id=BUI.id(),this.url=null,a&&a.url&&(this.url=a.url),null==this.url&&Ext.Msg.alert("Error","Please, set an url"),this.onUploaded=new Event(this)}function SAXSExiController(){this.init()}function ExiSAXS(){Exi.call(this,{menu:new SAXSMainMenu,anonymousMenu:new MainMenu,controllers:[new SAXSExiController,new OfflineExiController,new ProposalExiController,new SessionController,new LabContactExiController]})}function SAXSMainMenu(){this.id=BUI.id(),MainMenu.call(this,{isHidden:!1,cssClass:"mainMenu"})}function BufferListView(){ListView.call(this)}function DataCollectionListView(){ListView.call(this)}function MacromoleculeListView(){this.sorters=[{property:"experimentId",direction:"DESC"}],ListView.call(this)}function SessionSaxsListView(){this.sorters=[{property:"experimentId",direction:"DESC"}],ListView.call(this)}function StockSolutionListView(){this.sorters=[{property:"experimentId",direction:"DESC"}],ListView.call(this)}function TemplateListView(){this.sorters=[{property:"experimentId",direction:"DESC"}],ListView.call(this)}function AbinitioMainView(){MainView.call(this),this.abinitioForm=new AbinitioForm({height:700})}function BufferMainView(){this.icon="images/icon/ic_satellite_black_18dp.png",this.queueGridList=[],MainView.call(this),this.bufferForm=new BufferForm({height:800,collapsed:!1,tbar:!0});this.onSelect=new Event(this),this.onDeselect=new Event(this)}function BufferWelcomeMainView(){this.icon="../images/icon/rsz_ic_home_black_24dp.png",MainView.call(this),this.title="Macromolecules",this.closable=!1}function DataCollectionMainView(){this.title="Experiment",this.icon="images/icon/ic_satellite_black_18dp.png",MainView.call(this),this.grid=new OverviewQueueGrid({positionColumnsHidden:!0,maxHeight:Ext.getCmp("main_panel").getHeight()-50,padding:40,sorters:[{property:"macromoleculeAcronym",direction:"ASC"}]}),this.onSelect=new Event(this),this.onDeselect=new Event(this)}function DesignerMainView(){this.icon="images/icon/ic_satellite_black_18dp.png",this.queueGridList=[],MainView.call(this);this.wizardWidget=new WizardWidget({windowMode:!0,width:1200}),this.wizardWidget.onFinished.attach(function(a,b){EXI.setLoading();var c=function(a,b){location.hash="/experiment/templateId/"+b.experimentId+"/main"};EXI.getDataAdapter({onSuccess:c}).saxs.template.saveTemplate(b.name,b.comments,b.data)}),this.onSelect=new Event(this),this.onDeselect=new Event(this)}function ExperimentDesignerMainView(){this.icon="images/icon/ic_satellite_black_18dp.png",this.queueGridList=[],MainView.call(this),this.templateGrid=new TemplateGrid({minHeight:300,height:440,gridType:"Ext.grid.Panel",title:"Experiments",grouping:!1,tbar:!0}),this.onSelect=new Event(this),this.onDeselect=new Event(this)}function ExperimentMainView(){this.icon="images/icon/ic_satellite_black_18dp.png",MainView.call(this);Ext.create("Ext.data.Store",{fields:["name"],data:[{name:"low"},{name:"medium"},{name:"high"}]});this.specimenWidget=new SpecimenWidget({height:this.height,width:1200}),this.measurementGrid=new MeasurementGrid,this.queueGrid=new OverviewQueueGrid({positionColumnsHidden:!0,sorters:[{property:"macromoleculeAcronym",direction:"ASC"}]}),this.activePanel=this.queueGrid}function ExperimentWelcomeMainView(){this.icon="../images/icon/rsz_ic_home_black_24dp.png",MainView.call(this),this.title="Welcome",this.closable=!1}function HPLCMainView(){this.title="Experiment",this.icon="images/icon/ic_satellite_black_18dp.png",this.queueGridList=[],MainView.call(this),this.grid=new OverviewQueueGrid({height:220}),this.grid.onSelectionChange.attach(function(b,c){a.onSelectionChange.notify(c)}),this.grid.onSelect.attach(function(b,c){a.onSelect.notify(c)}),this.grid.onDeselect.attach(function(b,c){a.onDeselect.notify(c)});var a=this;a.annotations=[],a.selectedFrameNumber=[],this.hplcGraph=new HPLCGraph({title:"I0",width:300,height:300,bbar:!0,plots:{I0:!0,Rg:!0},xlabel:"Frames",scaled:!0,interactionModel:{dblclick:function(b,c,d){a.selectedFrameNumber=[c.lastx_],a.plotter.loadHPLCFrame(a.experimentId,a.selectedFrameNumber),a.annotations=[{series:c.selPoints_[0].name,x:c.lastx_,width:30,height:23,tickHeight:2,shortText:c.lastx_,text:c.lastx_,attachAtBottom:!0}],c.setAnnotations(a.annotations);var e={frame:a.selectedFrameNumber,quality:_.find(a.hplcGraph.hplcData,{param:"quality"}).data[a.selectedFrameNumber],Qr:_.find(a.hplcGraph.hplcData,{param:"Qr"}).data[a.selectedFrameNumber],Vc:_.find(a.hplcGraph.hplcData,{param:"Vc"}).data[a.selectedFrameNumber],Mass:_.find(a.hplcGraph.hplcData,{param:"Mass"}).data[a.selectedFrameNumber],Rg:_.find(a.hplcGraph.hplcData,{param:"Rg"}).data[a.selectedFrameNumber],I0:_.find(a.hplcGraph.hplcData,{param:"I0"}).data[a.selectedFrameNumber],downloadURL:EXI.getDataAdapter().saxs.hplc.getDownloadHDF5FramesURL(a.experimentId,a.selectedFrameNumber,a.selectedFrameNumber)},f="";dust.render("summary.hplcmainview.template",[e],function(a,b){f+=b}),$("#"+a.id+"summary").html(f)}}}),this.hplcGraph.onClearSelection.attach(function(b){a.annotations=[],a.selectedFrameNumber=[],a.hplcGraph.dygraphObject.dygraph.setAnnotations([])}),this.plotter=new CurvePlotter({margin:10,width:300}),this.onSelect=new Event(this),this.onDeselect=new Event(this)}function MacromoleculeMainView(){this.icon="../images/icon/macromolecule.png",this.queueGridList=[],MainView.call(this),this.macromoleculeForm=new MacromoleculeForm({height:800,collapsed:!1,tbar:!0}),this.rigidBodyModelingForm=new RigidBodyModelingForm({}),this.rigidBodyModelingForm.onSave.attach(function(a,b){});this.onSelect=new Event(this),this.onDeselect=new Event(this)}function MacromoleculeWelcomeMainView(){this.icon="../images/icon/rsz_ic_home_black_24dp.png",MainView.call(this),this.title="Macromolecules",this.closable=!1}function MergeMainView(){this.title="Primary Data View",this.icon="images/icon/ic_blur_on_black_18dp.png",this.queueGridList=[];var a=this;this.plotter=new CurvePlotter({}),this.formPopulated=!1,this.plotter.onRendered.attach(function(b){if(!a.formPopulated){for(var c={},d=1;d buffers' measurement needed for substraction automatically. "},{measurementsSelected:null},function(){var a={name:Ext.getCmp(d.id+"name").getValue(),comments:Ext.getCmp(d.id+"comments").getValue(),data:JSON.stringify(d.parseMeasurements(d.data.measurementsSelected))};d.onWizardFinished.notify(a)},function(){}),null!=c&&null!=c.noNext&&(this.noNext=c.noNext),this.noNext&&(this.onWizardFinished=new Event(this)),this.onWizardFinished=new Event(this)}function SampleAutomaticPositionFactory(a){this.samples=a}function MeasurementGrid(a){this.id=BUI.id(),this.onRemoved=new Event(this)}function MolarityForm(a){this.id=BUI.id(),this.width=700,this.height=500,null!=a&&(null!=a.width&&(this.width=a.width),null!=a.height&&(this.height=a.height)),this.onSave=new Event(this),this.onClose=new Event(this)}function MolarityGrid(a){this.height=100,this.width=100,null!=a&&(null!=a.height&&(this.height=a.height),null!=a.width&&(this.width=a.width));var b=this;this.molarityForm=new MolarityForm({height:180,width:455}),this.molarityForm.onSave.attach(function(a){b.molarityWindow.destroy(),b.updateProposal()}),this.molarityForm.onClose.attach(function(a){b.molarityWindow.destroy()}),this.onEditButtonClicked=new Event(this)}function DataSet(){this.json=null}function GraphCanvas(a,b,c){this.args={},this.targetID=b.id,this.id=a,this.args.idGraph=this.id+"main",this.args.idBackgroundNode=this.id+"background",this.args.idEdgesGraph=this.id+"edges",this.args.idNodesGraph=this.id+"vertices",this.args.idLabelGraph=this.id+"label",this.args.idBackground=this.id+"background",this.dataset=null,this.formatter=null,this.layout=null,this.circleDefaultRadius=2,this.squareDefaultSide=1.5*this.circleDefaultRadius,this.arrowDefaultSize=this.circleDefaultRadius,this.GraphGroup=null,this.GraphNodeGroup=null,this.GraphLabelGroup=null,this.GraphBackground=null,this.args.draggingCanvasEnabled=!1,this.args.multipleSelectionEnabled=!1,this.args.interactive=!1,this.args.labeled=!1,this.args.linkEnabled=!1,this.args.maxNumberEdgesMoving=3,this.args.maxNumberEdgesFiringEvents=50,this.args.linking=!1,this.linkStartX=0,this.linkStartY=0,this.linkSVGNode=null,this.linkNodeSource=null,this.linkNodeTarget=null,this.draggingElement=null,this.dragging=!1,this.nMouseOffsetX=0,this.nMouseOffsetY=0,this.dragStartX=0,this.dragStartY=0,this.desplazamientoX=0,this.desplazamientoY=0,this.selecting=!1,this.selectorX=null,this.selectorY=null,this.selectorSVGNode=null,this.args.isVertexSelected={},this.args.selectedVertices=[],this.args.isEdgeSelected={},null!=c&&(null!=c.multipleSelectionEnabled&&(this.args.multipleSelectionEnabled=c.multipleSelectionEnabled,this.args.draggingCanvasEnabled=!this.args.multipleSelectionEnabled),null!=c.draggingCanvasEnabled&&(this.args.draggingCanvasEnabled=c.draggingCanvasEnabled,this.args.multipleSelectionEnabled=!this.args.draggingCanvasEnabled),null!=c.interactive&&(this.args.interactive=c.interactive),null!=c.labeled&&(this.args.labeled=c.labeled)),this.svgLabels={},this.onVertexOut=new Event(this),this.onVertexOver=new Event(this),this.onVertexSelect=new Event(this),this.onEdgeSelect=new Event(this),this.onCanvasClicked=new Event(this),this.onVertexUp=new Event(this)}function GraphDataset(){DataSet.prototype.constructor.call(this),this.edges=new Object,this.vertices=new Object,this.verticesIndex=new Object,this.newVertex=new Event(this),this.vertexNameChanged=new Event(this),this.vertexDeleted=new Event(this),this.newEdge=new Event(this),this.edgeNameChanged=new Event(this),this.edgeDeleted=new Event(this),this.json=new Object,this.json.vertices=new Array,this.json.edges=new Array,this.json.relations=new Array}function labels(){var a=new Array,b=interactomeViewer.graphEditorWidget.dataset,c=interactomeViewer.graphEditorWidget.layout;for(var d in interactomeViewer.graphEditorWidget.dataset.getVertices())a.push(interactomeViewer.graphEditorWidget.dataset.getVertexById(d).getName());var e=a.sort();console.log(e);for(var f=.01,g=.6,h=0;h0?b.specimenSelected=c[0]:b.specimenSelected=null,b.samplePlateGroupWidget.selectSpecimens(c)}),this.samplePlateGroupWidget=new SamplePlateGroupWidget({showTitle:!1,height:250,margin:5,bbar:!1}),this.samplePlateGroupWidget.onExperimentChanged.attach(function(a,c){b.load(new Experiment(c))}),this.samplePlateGroupWidget.onClick.attach(function(a,c){var d=c.specimenId;b.specimenSelected&&b.specimenSelected.Specimen_specimenId==d?(b.samplePlateGroupWidget.selectSpecimens([]),b.specimenGrid.deselectAll(),b.specimenSelected=null):(b.specimenSelected={Specimen_specimenId:d},b.specimenGrid.selectById(d))}),this.onExperimentChanged=new Event(this)}function StockSolutionForm(a){this.id=BUI.id(),this.actions=[],this.height=500,null!=a&&(null!=a.actions&&(this.actions=a.actions),null!=a.height&&(this.height=a.height)),this.onSaved=new Event(this)}function StockSolutionGrid(a){this.id=BUI.id(),this.tbar=!0,this.title="Stock Solutions",this.btnEditVisible=!0,this.btnRemoveVisible=!0,this.btnAddVisible=!0,this.btnAddExisting=!1,this.isPackedVisible=!0,this.btnUnpackVisible=!1,this.multiselect=!1,this.selectedStockSolutions=[],null!=a&&(null!=a.btnUnpackVisible&&(this.btnUnpackVisible=a.btnUnpackVisible),null!=a.multiselect&&(this.multiselect=a.multiselect),null!=a.height&&(this.height=a.height),null!=a.btnEditVisible&&(this.btnEditVisible=a.btnEditVisible),null!=a.btnAddVisible&&(this.btnAddVisible=a.btnAddVisible),null!=a.btnAddExisting&&(this.btnAddExisting=a.btnAddExisting),null!=a.width&&(this.width=a.width),null!=a.minHeight&&(this.minHeight=a.minHeight),null!=a.tbar&&(this.tbar=a.tbar),null!=a.btnRemoveVisible&&(this.btnRemoveVisible=a.btnRemoveVisible),null!=a.isPackedVisible&&(this.isPackedVisible=a.isPackedVisible),null!=a.showTitle&&(this.showTitle=a.showTitle,0==this.showTitle&&(this.title=null))),this.onSaved=new Event(this),this.onUnpack=new Event(this),this.onPack=new Event(this)}function TemplateGrid(a){this.height=500}function VolumeGrid(){this.id=BUI.id()}function WizardWidget(a){this.targetId=null,this.width=910,this.height=400,this.windowMode=!0,null!=a&&(null!=a.windowMode&&(this.windowMode=a.windowMode),null!=a.width&&(this.width=a.width)),this.step=0,this.forms=[],this.onFinished=new Event(this)}function TestController(){this.init()}function SampleForm(a){this.id=a}function TestContainer(){this.container=Ext.create("Ext.container.Container",{layout:{type:"hbox"},width:400,border:1,style:{borderColor:"#000000",borderStyle:"solid",borderWidth:"1px"},items:[]})}function TestListView(){this.title="Samples",ListView.call(this)}function TestMainPanel(){this.title="Samples",ListView.call(this)}function TestMainWidgetPanel(){this.title="Samples",ListView.call(this)}function ElectronDensityViewer(a){this.id=BUI.id()}function PuckWidgetView(){this.queueGridList=[],this.widget=new FlexHCDWidget,this.title="Samples",MainView.call(this)}function TestMainView(a){MainView.call(this),this.crystalId=a,this.testMainPanel=new TestMainPanel,this.onSelect=new Event(this),this.onDeselect=new Event(this)}dust.helpers.decimal=function(a,b,c,d){if(d.key){var e=b.current()[d.key];if(d.key.split(".").length>1){var f=d.key.split(".");e=b.current()[f[0]][f[1]]}if(e)if(null!=d.decimals)try{d.intIfPossible&&parseInt(Number(e))==Number(e)?a.write(parseInt(Number(e))):a.write(Number(e).toFixed(d.decimals))}catch(g){a.write(b.current()[d.key])}else a.write(b.current()[d.key])}else a.write("WARN: NO KEY SET");return a},dust.helpers.dataCollectionComment=function(a,b,c,d){if(d.key){var e=b.current()[d.key];e&&""!=e.trim()&&a.write("Comment: "+e)}else a.write("WARN: NO KEY SET");return a},dust.helpers.sizeOf=function(a,b,c,d){var e=this.size(a,b,c,d);return c&&c.block?a.render(c.block,b.push({isSelect:!0,isResolved:!1,selectKey:e})):e},dust.helpers.exponential=function(a,b,c,d){if(d.key){var e=b.current()[d.key];if(e)if(null!=d.decimals)try{a.write(Number(Number(e).toFixed(d.decimals)).toExponential())}catch(f){a.write(b.current()[d.key])}else a.write(b.current()[d.key])}else a.write("WARN: NO KEY SET");return a},dust.helpers.mmVolTest=function(a,b,c,d){var e=b.current().Subtraction_volume;if(e)try{a.write(Number(e/2).toFixed(1)+" - "+Number(e/1.5).toFixed(1))}catch(f){a.write(b.current()[d.key])}return a},dust.helpers.framesColor=function(a,b,c,d){var e=b.current().Merge_framesMerge,f=b.current().Merge_framesCount,g="undefined";null==e||null==f?g="orange":(e/f>=.3&&(g="orange"),e/f>=.7&&(g="undefined"),.3>e/f&&(g="red"));try{a.write(g)}catch(h){a.write(b.current()[d.key])}return a},dust.helpers.fileName=function(a,b,c,d){var e=b.current().filePath;if(e)try{var f=e.substring(e.lastIndexOf("/")+1);a.write(f.substring(0,f.indexOf(".")))}catch(g){a.write(b.current()[d.key])}return a},Exi.prototype.appendDataAdapterParameters=function(a){if(a||(a={}),EXI.credentialManager.getCredentials()[0]&&!EXI.credentialManager.getCredentials()[0].isValid())return void(location.hash="/welcome");var b=EXI.credentialManager.getConnections();return b.length>0&&(a.url=b[0].url,a.token=b[0].token,a.proposal=b[0].proposal),a},Exi.prototype.getDataAdapter=function(a){var b=new DataAdapterFactory(this.appendDataAdapterParameters(a));return b},Exi.prototype.setAnonymousMenu=function(){this.mainMenu=this.anonymousMenu,Ext.getCmp("mainMenu").removeAll(),Ext.getCmp("mainMenu").add(EXI.mainMenu.getPanel())},Exi.prototype.setUserMenu=function(){this.mainMenu=this.userMenu,Ext.getCmp("mainMenu").removeAll(),Ext.getCmp("mainMenu").add(EXI.mainMenu.getPanel())},Exi.prototype.loadSelected=function(a){},Exi.prototype.addMainPanel=function(a){this.keepTabs||Ext.getCmp("main_panel").removeAll(),Ext.getCmp("main_panel").add(a.getPanel()),Ext.getCmp("main_panel").setActiveTab(Ext.getCmp("main_panel").items.length-1)},Exi.prototype.getSelectedDataCollections=function(){for(var a=[],b=0;bExtended ISPyB'},Exi.prototype.show=function(){var a=this;Ext.application({name:"ExiSAXS",launch:function(){Ext.create("Ext.container.Viewport",{layout:"border",items:[{region:"north",xtype:"component",padding:10,height:75,html:a.getHeader(),cls:a.headerCssClass},{region:"north",cls:"toolbarPanel",id:"mainMenu",xtype:"panel",width:400,items:a.mainMenu.getPanel()},{xtype:"panel",id:"navigation",region:"west",width:250,split:!1,title:"Browse by",cls:"navigation",collapsible:!0,collapsed:!0},{region:"center",id:"main_panel",xtype:"tabpanel",cls:"navigation",plain:!0,items:[]},{region:"south",xtype:"panel",cls:"statusBar",bbar:a.mainStatusBar.getBar()}],listeners:{afterrender:function(b,c){a.mainMenu.populateCredentialsMenu(),a.onAfterRender.notify(),0==a.credentialManager.getCredentials()?a.setAnonymousMenu():(a.setUserMenu(),a.mainMenu.populateCredentialsMenu())}}})}})},MainStatusBar.prototype.getBar=function(){return this.statusBar=Ext.create("Ext.ux.StatusBar",{id:"main-status-bar",text:"Ready",iconCls:"accept",busyIconCls:"busy",busyText:this.busyText,cls:"statusBar",statusAlign:"right"}),this.statusBar},MainStatusBar.prototype.showBusy=function(a){null==a&&(a="Connecting to servers..."),this.statusBar.busyText=a,this.statusBar.showBusy()},MainStatusBar.prototype.showError=function(a){this.statusBar.clearStatus(),this.statusBar.setStatus({text:a,iconCls:"error"})},MainStatusBar.prototype.showReady=function(){this.statusBar.clearStatus(),this.statusBar.setStatus({text:"Ready",iconCls:"accept"})},ProposalManager.prototype.get=function(a){var b=this;if(null==localStorage.getItem("proposals")||a){var c=function(a,c){localStorage.setItem("proposals",JSON.stringify(c)),b.onActiveProposalChanged.notify()};EXI.getDataAdapter({async:!1,onSuccess:c}).proposal.proposal.getProposalsInfo()}return JSON.parse(localStorage.getItem("proposals"))},ProposalManager.prototype.clear=function(){localStorage.removeItem("proposals")},ProposalManager.prototype.getSessions=function(){if(null==localStorage.getItem("sessions")){var a=function(a,b){localStorage.setItem("sessions",JSON.stringify(b))};EXI.getDataAdapter({async:!1,onSuccess:a}).proposal.session.getSessions()}return JSON.parse(localStorage.getItem("sessions"))},ProposalManager.prototype.getFutureSessions=function(){for(var a=this.getSessions(),b=moment(),c=[],d=0;d=0&&($("#row-"+b+"-"+this.id).addClass("active-step").siblings().removeClass("active-step"),this.rowSelected.notify($("#row-"+b+"-"+this.id)[0].innerText))},BootstrapGrid.prototype.deselectAll=function(){$("#bootstrap-table-"+this.id).find(".clickable-row").removeClass("active-step")},BootstrapGrid.prototype.getHTML=function(){var a="";return dust.render(this.template,this.data,function(b,c){a=c}),"
      "+a+"
      "},BootstrapGrid.prototype.load=function(a){this.data=a,this.data.id=this.id,$("#bootstrap-grid"+this.id).length&&(this.panel.setTitle(a.header),$("#bootstrap-grid"+this.id).html(this.getHTML()),this.setClickListeners())},MainMenu.prototype.getMenuItems=function(){return[]},MainMenu.prototype.getHomeItem=function(){return{text:this._convertToHTMLWhiteSpan("Home"),cls:"ExiSAXSMenuToolBar",icon:"../images/icon/rsz_ic_home_black_24dp.png",handler:function(){if(null!=EXI.credentialManager.getCredentials())if(EXI.credentialManager.getCredentials().length>0){var a=EXI.credentialManager.getCredentials()[0].username,b=EXI.credentialManager.getCredentialByUserName(EXI.credentialManager.getCredentials()[0].username);b.isManager()?location.hash="/welcome/manager/"+a+"/main":location.hash="/welcome/user/"+a+"/main"}else BUI.showError("You should sign up");else BUI.showError("You should sign up")}}},MainMenu.prototype.getShipmentItem=function(){function a(){function a(a,b){"Stock Solutions"==a.text&&(location.hash="/saxs/stocksolution/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"Stock Solutions",icon:"../images/icon/testtube.png",handler:a}]})}function b(){function a(a,b){if("Add new"==a.text){var c=new AddressEditForm;c.onSaved.attach(function(a,b){d.close(),location.hash="#/proposal/address/"+b.labContactId+"/main"});var d=Ext.create("Ext.window.Window",{title:"Shipping Address Card",height:550,width:750,modal:!0,layout:"fit",items:[c.getPanel()],buttons:[{text:"Save",handler:function(){c.save()}},{text:"Cancel",handler:function(){d.close()}}]}).show();c.load()}else"List"==a.text&&(location.hash="/proposal/addresses/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"Add new",icon:"../images/icon/add.png",handler:a},{text:"List",icon:"../images/icon/ic_list_black_24dp.png",handler:a}]})}function c(){function a(a,b){if("Add new"==a.text){var c=new ShipmentEditForm;c.onSaved.attach(function(a,b){d.close(),location.hash="#/shipping/"+b.shippingId+"/main"});var d=Ext.create("Ext.window.Window",{title:"Shipment",height:450,width:600,modal:!0,layout:"fit",items:[c.getPanel()],buttons:[{text:"Save",handler:function(){c.saveShipment()}},{text:"Cancel",handler:function(){d.close()}}]}).show();c.load()}else"List"==a.text&&(location.hash="/proposal/shipping/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"Add new",icon:"../images/icon/add.png",handler:a},{text:"List",icon:"../images/icon/ic_list_black_24dp.png",handler:a}]})}return{text:this._convertToHTMLWhiteSpan("Shipment"),cls:"ExiSAXSMenuToolBar",disabled:!1,menu:Ext.create("Ext.menu.Menu",{items:[{text:"BioSAXS",icon:"../images/icon/macromolecule.png",menu:a()},{text:"Manage shipping addresses",icon:"../images/icon/contacts.png",menu:b()},{text:"Shipments",icon:"../images/icon/shipping.png",menu:c()}]})}},MainMenu.prototype.getHelpMenu=function(){function a(a,b){"ISPyB Web services API Map"==a.text&&window.open("/exi/documentation/ispyb-api-ws/print.html"),"Job list"==a.text&&(location.hash="/tool/list")}return Ext.create("Ext.menu.Menu",{items:[{text:"Developer",checked:!1,group:"theme",menu:{items:[{text:"ISPyB Web services API Map",handler:a},{text:"How to retrieve data from ISPyB?",handler:a},{text:"EXI Router",handler:a},{text:"EXI List Views Objects",handler:a},{text:"EXI Main View Objects",handler:a}]}},"-",{text:"About",checked:!1,group:"theme",handler:a}]})},MainMenu.prototype.getAddCredentialMenu=function(){return null!=EXI.credentialManager.getCredentials()&&EXI.credentialManager.getCredentials().length>0?{icon:"../images/icon/rsz_1ic_input_black_24dp.png",height:30,text:"Add",handler:function(){window.location.href="#/login"}}:void 0},MainMenu.prototype.populateCredentialsMenu=function(){this.credentialsMenu.removeAll();var a="";if(null!=EXI.credentialManager.getCredentials())for(var b=0;b0)for(var c=0;c0?(Ext.getCmp(this.loginButtonId).setText("Log out "+a+" "),Ext.getCmp(this.loginButtonId).setIcon("../images/rsz_logout.png")):(Ext.getCmp(this.loginButtonId).setText("Sign In"),Ext.getCmp(this.loginButtonId).setIcon("../images/rsz_login.png"))},MainMenu.prototype._convertToHTMLWhiteSpan=function(a){return''+a+""},MainMenu.prototype.isLoggedIn=function(){return EXI.credentialManager.getCredentials().length>0},MainMenu.prototype.getLoginButton=function(){var a="../images/rsz_login.png",b=this._convertToHTMLWhiteSpan("Sign In");return EXI.credentialManager.getCredentials().length>0&&(a="../images/rsz_logout.png",b=this._convertToHTMLWhiteSpan("log out")),{xtype:"splitbutton",id:this.loginButtonId,text:b,cls:"button_log_out",icon:a,menu:this.credentialsMenu,handler:function(){0==EXI.credentialManager.getCredentials().length?location.hash="/login":location.hash="/logout"}}},MainMenu.prototype.getPanel=function(){this.credentialsMenu=new Ext.menu.Menu({id:this.id+"menu",items:[this.getAddCredentialMenu()]});var a=this.getMenuItems();return a.push("->"),a.push(this.getLoginButton()),this.tb=Ext.create("Ext.toolbar.Toolbar",{cls:this.cssClass,items:a}),this.tb},ListView.prototype.getSorters=function(){return{}},ListView.prototype.getFilter=function(a){return null},ListView.prototype.load=function(a){this.data=a,null!=this.formatData?this.store.loadData(this.formatData(a)):this.store.loadData(a)},ListView.prototype.getColumns=function(){var a=this;return[{text:this.title,flex:1,dataIndex:"shippingId",renderer:function(b,c,d){return a.getRow(d)}}]},ListView.prototype.getFields=function(){return[]},ListView.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{fields:this.getFields(),data:[],sorters:this.sorters,proxy:{type:"memory",reader:{type:"json"}}}),this.panel=Ext.create("Ext.grid.Panel",{store:this.store,layout:"fit",columns:this.getColumns(),width:this.width,height:this.height,multiSelect:!0,dockedItems:[{xtype:"toolbar",dock:"bottom",cls:"x-toolbar",height:42,items:[{xtype:"textfield",name:"searchField",hideLabel:!0,width:200,hidden:null==a.getFilter(),emptyText:"Search...",listeners:{change:function(b,c){var d=b.getValue();""!=d?a.store.filter(a.getFilter(d)):(a.store.clearFilter(!0),a.load(a.data))}}}]}],viewConfig:{emptyText:"No items to display",enableTextSelection:!0,preserveScrollOnRefresh:!0,stripeRows:!0}}),this.panel.on("selectionchange",function(b,c){var d=[];for(var e in c)d.push(c[e].data);a.onSelect.notify(d)}),this.panel},AddressListView.prototype.getPanel=ListView.prototype.getPanel,AddressListView.prototype.load=ListView.prototype.load,AddressListView.prototype.getFields=ListView.prototype.getFields,AddressListView.prototype.getColumns=ListView.prototype.getColumns,AddressListView.prototype.getFilter=function(a){return[{property:"cardName",value:a,anyMatch:!0}]},AddressListView.prototype.getRow=function(a){var b="";return dust.render("address.listview",a.data,function(a,c){b=c}),b},RunListView.prototype.getPanel=ListView.prototype.getPanel,RunListView.prototype.load=ListView.prototype.load,RunListView.prototype.getFilter=function(a){return[{property:"name",value:a,anyMatch:!0}]},RunListView.prototype.formatStatus=function(a){return"FINISHED"==a?""+a+"":""+a+""},RunListView.prototype.formatJobs=function(a){for(var b="",c=0;c";return b+"
      "+a[c].name+"
      "},RunListView.prototype.getRow=function(a){var b="";return b=b+"",b=b+"",b=b+"",b=b+"",b+"
      Name:"+a.data.name+"
      Status:"+this.formatStatus(a.data.status)+"
      Jobs:"+this.formatJobs(a.data.jobs)+"
      Date:"+a.data.creationDate+"
      "},RunListView.prototype.getColumns=function(){var a=this;return[{text:"Jobs",flex:1,dataIndex:"sessionId",renderer:function(b,c,d){return a.getRow(d)}}]},RunListView.prototype.getFields=function(){return["name","status","creationDate","jobs"]},SessionListView.prototype.getPanel=ListView.prototype.getPanel,SessionListView.prototype.load=ListView.prototype.load,SessionListView.prototype.getFilter=function(a){return[{property:"beamlineName",value:a,anyMatch:!0}]},SessionListView.prototype.formatData=function(a){for(var b=0;ba/b)return""+a+"/"+b+"";if(.7>a/b)return""+a+"/"+b+""}return a+"/"+b}function b(a){"yes"==a&&exiSAXS.localExtorage.selectedSubtractionsManager.remove(record.data)}return this.selection=Ext.create("Ext.data.Store",{fields:["subtractionId","scattering","macromoleculeAcronym","concentration","framesMerge","framesCount","exposureTemperature"]}),this.selectionGrid=Ext.create("Ext.grid.Panel",{store:this.selection,title:"Selection",emptyText:"No selection",tbar:this.selectionMenu.getPanel(),columns:[{text:"",dataIndex:"scattering",renderer:function(a,b,c){return"'}},{text:"",dataIndex:"macromoleculeAcronym",flex:.8,renderer:function(b,c,d){return d.data.macromoleculeAcronym+"
      "+BUI.formatValuesUnits(d.data.concentration,"mg/ml",7,2)+"
      "+d.data.exposureTemperature+" C
      "+a(d.data.framesMerge,d.data.framesCount)}},{text:"",id:"remove",dataIndex:"scattering",width:50,renderer:function(a){return'
      '}}],width:200,listeners:{cellclick:function(a,c,d,e,f,g,h,i){2==d&&Ext.Msg.show({title:"Discard subtraction?",msg:"Your are discarding a selected subtraction. You may re-add it afterwards. Would you like to discard it?",buttons:Ext.Msg.YESNO,icon:Ext.Msg.QUESTION,fn:b,height:150})}}}),this.selectionGrid},WorkSpaceListView.prototype.getProjectPanel=function(){return this.projectStore=Ext.create("Ext.data.Store",{fields:["name"]}),this.projectGrid=Ext.create("Ext.grid.Panel",{store:this.projectStore,title:"Projects",emptyText:"No projects",columns:[{text:"Name",dataIndex:"name",flex:1,renderer:function(a,b,c){var d=""+c.data.name+"
      "+c.data.description+"";return null!=c.data.subtractions&&(d=d+"
      "+c.data.subtractions.length+" datasets selected"),d}}],height:200}),this.projectGrid},WorkSpaceListView.prototype.getRunPanel=function(){var a=this;return this.runStore=Ext.create("Ext.data.Store",{fields:["name"]}),this.runGrid=Ext.create("Ext.grid.Panel",{store:this.runStore,title:"Run",emptyText:"No Runs",minHeight:600,dockedItems:[{xtype:"toolbar",dock:"bottom",ui:"footer",items:[{xtype:"component",flex:1},{xtype:"button",text:"Refresh",handler:function(b,c,d){a.loadRuns()}}]}],columns:[{text:"Name",dataIndex:"name",flex:1,renderer:function(a,b,c){var d=c.data.jobs,e="";if(e=e+"",e=e+"",e=e+"",null!=d)for(var f=0;f";return e+"
      "+c.data.name+"
      "+c.data.status+"
      "+c.data.creationDate+"
      "+d[f].name+""+d[f].status+"
      "}}],height:200}),this.runGrid.on("select",function(b,c,d,e){location.hash="/project/"+a.projectId+"/run/"+c.data.internalId+"/main"}),this.runGrid},WorkSpaceListView.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{layout:"fit",autoScroll:!0,defaults:{bodyStyle:"padding:15px"},items:[a.getSelectionPanel(),a.getProjectPanel(),a.getRunPanel()]}),this.panel},Credential.prototype.isManager=function(){return this._checkRole("manager")},Credential.prototype.isLocalContact=function(){return this._checkRole("localcontact")},Credential.prototype._checkRole=function(a){return-1!=JSON.stringify(this.roles).toLowerCase().indexOf(a)},Credential.prototype.isValid=function(){return this.timeToExpire()>0},Credential.prototype.timeToExpire=function(){return moment.duration(moment(this.tokenExpires).diff(moment())).asHours()},CredentialManager.prototype.addCredential=function(a,b,c,d,e,f){var g=moment().add(3,"hour"),h=new Credential(a,b,c,d,e,[],g,f);null==localStorage.getItem("credentials")&&localStorage.setItem("credentials","[]");var i=this.getCredentials();i.push(h),localStorage.setItem("credentials",JSON.stringify(i)),this.onLogin.notify(h)},CredentialManager.prototype.credentialToObject=function(a){return new Credential(a.username,a.roles,a.token,a.url,a.exiUrl,a.activeProposals,a.tokenExpires,a.properties)},CredentialManager.prototype.getCredentials=function(){var a=[];null!=JSON.parse(localStorage.getItem("credentials"))&&(a=JSON.parse(localStorage.getItem("credentials")));for(var b=0;b0)for(var d=0;d0?b[0]:void 0},CredentialManager.prototype.logout=function(a,b,c,d){localStorage.removeItem("credentials"),this.onLogout.notify()},CredentialManager.prototype.setActiveProposal=function(a,b){for(var c=this.getCredentials(),d=0;d",{icon:"../images/icon/person.png",border:0},{xtype:"textfield",name:"field1",width:300,emptyText:"search by local contact",listeners:{specialkey:function(b,c){c.getKey()==c.ENTER&&a.displaySessionsByBeamlineOperator(b.getValue())}}}]})},ManagerWelcomeMainView.prototype.searchProposalByTerm=function(a){var b=[];if(null!=this.proposals)for(var c=0;cDownload"}}]})},RunMainView.prototype.getGeneralContainerList=function(a){var b="
        ";return b=b+"
      • Name: "+a.name+"
      • ",b=b+"
      • Status: "+a.status+"
      • ",b=b+"
      • "+a.creationDate+"
      • "},RunMainView.prototype.getGeneralContainer=function(a){return{xtype:"panel",title:"General",margin:10,border:1,style:{borderColor:"gray",borderStyle:"solid",borderWidth:"1px"},items:[{html:this.getGeneralContainerList(a),margin:"10 0 0 50"}]}},RunMainView.prototype.getMainPanel=function(){},RunMainView.prototype.getTabs=function(){return Ext.createWidget("tabpanel",{plain:!0,margin:"20 0 0 0",items:[this.getMainPanel(),{tabConfig:{title:"Output Files"},items:[{xtype:"container",layout:"fit",height:700,padding:20,cls:"border-grid",items:[this.getOutputPanel()]}]}]})},RunMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"anchor"},defaults:{anchor:"100%",hideEmptyLabel:!1},margin:5,bodyStyle:{"background-color":"#E6E6E6"},items:[this.getTabs()]})},RunMainView.prototype.loadMain=function(a){},RunMainView.prototype.load=function(a){if(null!=a){this.panel.setTitle(a.name);for(var b=[],c=0;c "+c+""};-1==c[0].data.name.indexOf(".mtz")?EXI.getDataAdapter({onSuccess:d}).exi.offline.getFileContent(c[0].data.targetId):d(this,"No text available")}}});return Ext.create("Ext.grid.Panel",{title:"Files",store:this.filesStore,selModel:b,cls:"border-grid",height:400,columns:[{text:"Name",dataIndex:"name",flex:1}]})},DimpleRunMainView.prototype.getMainPanel=function(){var a=Ext.create("Ext.data.Store",{fields:["key","value"]});return this.generalGrid=Ext.create("Ext.grid.Panel",{title:"General",store:a,layout:"fit",columns:[{text:"Name",dataIndex:"name"},{text:"Seniority",dataIndex:"seniority"}],flex:1}),{tabConfig:{title:"Dimple"},items:[{xtype:"container",height:700,cls:"border-grid",items:[{xtype:"container",layout:"hbox",items:[{xtype:"container",layout:"fit",flex:.4,margin:5,items:[this.getFilesGrid(),{html:"
        "},{html:'
        '}]},{xtype:"container",layout:"fit",flex:.6,margin:5,height:400,cls:"border-grid",items:[{html:'
        '}]}]},{xtype:"container",margin:5,height:210,layout:"fit",flex:1,items:[{html:'
        '}]}]}]}},DimpleRunMainView.prototype.loadBlobs=function(a){var b=[],c=0;for(c=0;c0)for(var b=0;b
        ',height:600,border:0,width:600},this.subpanel],listeners:{afterrender:function(){_this.showCalendar([])}}}),this.panel},SessionMainView.prototype.showCalendar=function(a){function b(a){c.loadByDate(moment(new Date(a.startDate)).format("YYYYMMDD"))}var c=this;$("#"+c.id).empty(),$("#"+this.id).calendar({enableContextMenu:!0,enableRangeSelection:!0,selectRange:function(a){b({startDate:a.startDate,endDate:a.endDate})},mouseOnDay:function(a){if(a.events.length>0){var b="";for(var c in a.events)b+="
        "+a.events[c].name+"
        "+a.events[c].location+"
        ";$(a.element).popover({trigger:"manual",container:"body",html:!0,content:b}),$(a.element).popover("show")}},mouseOutDay:function(a){a.events.length>0&&$(a.element).popover("hide")},dayContextMenu:function(a){$(a.element).popover("hide")},dataSource:a})},SessionMainView.prototype.getBadge=function(a,b){return b&&0!=b?""+a+' '+b+"
        ":""},SessionMainView.prototype.getLocation=function(a){var b=this.getBadge("Collect",a.dataCollectionGroupCount);return b+=this.getBadge("Images",a.imagesCount),b+=this.getBadge("XRF",a.xrfSpectrumCount),b+=this.getBadge("Energy",a.energyScanCount),b+this.getBadge("Sample",a.sampleCount)},SessionMainView.prototype.load=function(a){for(var b=[],c=0;c0){var e=EXI.proposalManager.getProposals()[0];e.sessionCount=a.length,dust.render("welcomemainviewproposalheader",e,function(a,b){$("#"+d.id+"_header").html(b),d.panel.insert(0,{html:b,border:0,margin:"10 0 0 10",width:600})})}},SessionMainView.prototype.loadByDate=function(a){function b(a,b){c.sessionGrid.load(b),c.panel.setLoading(!1)}var c=this;this.panel.setLoading(!0);var d=EXI.credentialManager.getCredentials()[0].activeProposals[0],e=moment(a,"YYYYMMDD").format("YYYYMMDD");EXI.getDataAdapter({onSuccess:b}).proposal.session.getSessionsByProposalAndDate(a,e,d)},SpreadSheet.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{layout:"vbox",height:this.height+50,items:[{html:'
        ',margin:"20 0 20 10",height:this.height,width:this.width,autoScroll:!0,resizable:!0}]}),this.panel},SpreadSheet.prototype.setLoading=function(a){this.panel.setLoading(a)},SpreadSheet.prototype.getAcronyms=function(){for(var a=EXI.proposalManager.getProteins(),b=[],c=0;c0)for(var c=this.getHeaderId(),d=0;d1){var e={};e.location=d+1;for(var f=0;f0&&a.push(e)}for(var i=[],j=0;j=c;c++)b.push([c]);else b=b.slice(0,a);this.spreadSheet.loadData(b)}},SpreadSheet.prototype.emptyRow=function(a){for(var b=this.getHeaderId(),c=1;c=0;d--){var e=a[d];e[2]!=e[3]&&c.manageChange(e,b,f)}}},data:e,height:this.height,width:this.width,manualColumnResize:!0,colWidths:this.getHeaderWidth(),colHeaders:this.getHeaderText(),stretchH:"last",columns:this.getColumns()})},ContainerSpreadSheet.prototype.getSamplesData=function(a){function b(a,b){for(var c=0;cAcronym",id:"Protein Acronym",column:{width:80,type:"dropdown",source:this.getAcronyms()}},{text:"Sample
        Name",id:"Sample Name",column:{width:120}},{text:"Crystal
        Form",id:"Crystal Form",column:{width:250,type:"dropdown",source:function(b,c){var d=a.getColumnIndex("Protein Acronym"),e=EXI.proposalManager.getProteinByAcronym(this.instance.getDataAtCell(this.row,d));c(e.length>0?a.getCrystalInfoByProtein(e[0]):[])}}},{text:"Exp.
        Type",id:"Experiment Type",column:{width:80,type:"dropdown",source:["Default","MXPressE","MXPressO","MXPressI","MXPressE_SAD","MXScore","MXPressM"]}},{text:"Pin
        BarCode",id:"Pin BarCode",column:{width:60}},{text:"Pre-observed
        resolution",id:"Pre-observed resolution",column:{width:80}},{text:"Needed
        resolution",id:"Needed resolution",column:{width:60}},{text:"Pref.
        Diameter",id:"Pref. Diameter",column:{width:60}},{text:"Number of
        positions",id:"Number Of positions",column:{width:80}},{text:"Radiation
        Sensitivity",id:"Radiation Sensitivity",column:{width:80}},{text:"Required
        multiplicity",id:"Required multiplicity",column:{width:60}},{text:"Required
        Completeness",id:"Required Completeness",column:{width:80}},{text:"Space
        Group",id:"Space Group",column:{width:55,renderer:c,editor:!1,readOnly:!0}},{text:"Smiles",id:"Smiles",column:{width:140}},{text:"Comments",id:"Comments",column:{width:200}}],this.renderCrystalFormColumn&&b.push({text:"Edit Crystal Form",id:"editCrystalForm",column:{width:200,renderer:d,editor:!1,readOnly:!0}}),b},ContainerSpreadSheet.prototype.getPuck=function(){function a(a){return _.filter(a,function(a){return a.location==c[e].location})}for(var b=JSON.parse(JSON.stringify(this.puck)),c=this.parseTableData(),d=[],e=0;e0&&(f=g[0]),f.name=c[e]["Sample Name"],f.Dewar_barCode=c[e]["Pin BarCode"],f.smiles=c[e].Smiles,f.location=c[e].location,f.comments=c[e].Comments;var h=[];null==f.crystalVO?(f.crystalVO={},h=EXI.proposalManager.getProteinByAcronym(c[e]["Protein Acronym"]),null!=h&&(f.crystalVO.proteinVO=h[0])):(h=EXI.proposalManager.getProteinByAcronym(c[e]["Protein Acronym"]),null!=h&&(f.crystalVO.proteinVO=h[0]));var i=this.parseCrystalFormColumn(c[e]["Crystal Form"],e);f.crystalVO.spaceGroup=i.spaceGroup?i.spaceGroup:"",f.crystalVO.cellA=i.cellA,f.crystalVO.cellB=i.cellB,f.crystalVO.cellC=i.cellC,f.crystalVO.cellAlpha=i.cellAlpha,f.crystalVO.cellBeta=i.cellBeta,f.crystalVO.cellGamma=i.cellGamma,f.diffractionPlanVO={},f.diffractionPlanVO.radiationSensitivity=Number(c[e]["Radiation Sensitivity"]),f.diffractionPlanVO.requiredCompleteness=Number(c[e]["Required Completeness"]),f.diffractionPlanVO.requiredMultiplicity=Number(c[e]["Required multiplicity"]),f.diffractionPlanVO.requiredResolution=Number(c[e]["Needed resolution"]),f.diffractionPlanVO.observedResolution=Number(c[e]["Pre-observed resolution"]),f.diffractionPlanVO.preferredBeamDiameter=Number(c[e]["Pref. Diameter"]),f.diffractionPlanVO.numberOfPositions=Number(c[e]["Number Of positions"]),f.diffractionPlanVO.experimentKind=c[e]["Experiment Type"],d.push(f)}return b.sampleVOs=d,b},ContainerSpreadSheet.prototype.setRenderCrystalFormColumn=function(a){this.renderCrystalFormColumn=a},ContainerSpreadSheet.prototype.parseCrystalFormColumn=function(a,b){var c={spaceGroup:null,cellA:null,cellB:null,cellC:null,cellAlpha:null,cellBeta:null,cellGamma:null};if(""!=a&&null!=a){var d=EXI.proposalManager.getProteinByAcronym(this.spreadSheet.getDataAtCell(b,this.getColumnIndex("Protein Acronym")));if(d&&d.length>0&&(c.proteinVO=d[0]),"NEW"==a)c.spaceGroup="NEW",c.crystalId="";else{this.crystalInfoToIdMap[a]?c.crystalId=this.crystalInfoToIdMap[a]:(this.getCrystalInfoByProtein(d[0]),c.crystalId=this.crystalInfoToIdMap[a]);var e=a.split("-");if(c.spaceGroup=e[0].trim(),e.length>1){var f=(e[1]+"-"+e[2]).trim().replace(/[{()}]/g,"").replace(/\s+/g,"");c.cellA="null"==f.split("-")[0].split(",")[0]?null:f.split("-")[0].split(",")[0],c.cellB="null"==f.split("-")[0].split(",")[1]?null:f.split("-")[0].split(",")[1],c.cellC="null"==f.split("-")[0].split(",")[1]?null:f.split("-")[0].split(",")[2],c.cellAlpha="null"==f.split("-")[1].split(",")[0]?null:f.split("-")[1].split(",")[0],c.cellBeta="null"==f.split("-")[1].split(",")[1]?null:f.split("-")[1].split(",")[1],c.cellGamma="null"==f.split("-")[1].split(",")[2]?null:f.split("-")[1].split(",")[2]}else c.cellA=0,c.cellB=0,c.cellC=0,c.cellAlpha=0,c.cellBeta=0,c.cellGamma=0}}return c},ContainerSpreadSheet.prototype.getCrystalInfo=function(a){try{return null==a.cellA?a.spaceGroup+" - undefined":0==a.cellA&&0==a.cellB&&0==a.cellC&&0==a.cellAlpha&&0==a.cellBeta&&0==a.cellGamma?a.spaceGroup:a.spaceGroup+" - ("+a.cellA+" , "+a.cellB+" , "+a.cellC+" - "+a.cellAlpha+" , "+a.cellBeta+" , "+a.cellGamma+")"}catch(b){return""}},ContainerSpreadSheet.prototype.getUnitCellInfo=function(a){var b="";return dust.render("shipping.edit.form.unit.cell.template",a,function(a,c){b=c}),b},ContainerSpreadSheet.prototype.showEditForm=function(a,b){var c=this,d=new EditCrystalFormView;d.onSaved.attach(function(a,d){var f=c.parseTableData();c.updateCrystalGroup(b,d);for(var g=0;g Edit Crystal Form";this.setDataAtCell(a,b,c)},ContainerSpreadSheet.prototype.updateCrystalGroup=function(a,b){b?(this.setDataAtCell(a,this.crystalFormIndex,this.getCrystalInfo(b)),this.setDataAtCell(a,this.spaceGroupIndex,b.spaceGroup),this.addEditCrystalFormButton(a)):this.resetCrystalGroup(a)},ContainerSpreadSheet.prototype.resetCrystalGroup=function(a){this.setDataAtCell(a,this.crystalFormIndex,""),this.setDataAtCell(a,this.spaceGroupIndex,""),this.setDataAtCell(a,this.getColumnIndex("editCrystalForm"),"")},ContainerSpreadSheet.prototype.disableAll=function(){this.spreadSheet.updateSettings({readOnly:!0})},ContainerSpreadSheet.prototype.manageChange=function(a,b,c){switch(a[1]){case this.crystalFormIndex:var d=this.parseCrystalFormColumn(a[3],a[0]);void 0!=d.spaceGroup?"NEW"==d.spaceGroup?this.showEditForm(d,a[0]):this.isCrystalFormAvailable(d,this.getData()[a[0]][this.getColumnIndex("Protein Acronym")])?this.updateCrystalGroup(a[0],d):this.resetCrystalGroup(a[0]):this.resetCrystalGroup(a[0]);break;case this.getColumnIndex("Protein Acronym"):if(""==a[3])this.emptyRow(a[0]);else{if(a[0]>0){var e=this.getColumnIndex("Sample Name"),f=this.spreadSheet.getDataAtCell(a[0],e);if(void 0==f||""==f){var g=this.spreadSheet.getDataAtCell(a[0]-1,e);if(null!=g&&""!=g){var h=this.autoIncrement(g,1);""!=h&&this.setDataAtCell(a[0],e,h)}}}var d=this.parseCrystalFormColumn(this.getData()[a[0]][this.crystalFormIndex],a[0]);if(!this.isCrystalFormAvailable(d,a[3])){this.resetCrystalGroup(a[0]);var i=EXI.proposalManager.getProteinByAcronym(a[3]);if(i){var j=_.filter(EXI.proposalManager.getCrystals(),function(a){return a.proteinVO.proteinId==i[0].proteinId});if(j&&j.length>0){var k=_.maxBy(j,"crystalId");this.updateCrystalGroup(a[0],k)}}}}break;case this.getColumnIndex("Sample Name"):if("autofill"==b&&""!=a[3]){var h=this.autoIncrement(this.spreadSheet.getDataAtCell(a[0]-c,a[1]),c);""!=h&&this.setDataAtCell(a[0],a[1],h)}}a[1]!=this.getColumnIndex("editCrystalForm")&&this.onModified.notify(a),$(".htInvalid").removeClass("htInvalid")},ContainerSpreadSheet.prototype.autoIncrement=function(a,b){var c="",d=/(\d+)/g,e=a.match(d);if(e){var f=e[e.length-1];a.lastIndexOf(f)==a.length-f.length&&(c=a.substring(0,a.length-f.length)+(parseInt(f)+b))}return c},ContainerSpreadSheet.prototype.isCrystalFormAvailable=function(a,b){var c=_.filter(_.filter(EXI.proposalManager.getCrystals(),{spaceGroup:a.spaceGroup}),function(a){return a.proteinVO.acronym==b});if(c.length>0)for(var d=0;d
        '},this.uploaderWidget.getForm(),{xtype:"button",margin:"0 0 0 2",text:"Test",handler:function(){window.open("#/shipping/edv","_newtab")}}]}),this.panel},CrystalFormView.prototype.getToolBar=function(){var a=this;return[{text:"Return to shipment",width:200,height:30,handler:function(){location.href="#/shipping/"+a.shippingId+"/main"}}]},CrystalFormView.prototype.load=function(a,b,c){var d=this;this.containerId=a,this.sampleId=b,this.shippingId=c,this.panel.setTitle("Shipment");var e=function(a,b){if(b){var c=_.filter(b.sampleVOs,function(a){return a.blSampleId==d.sampleId});if(c.length>0){d.sample=c[0];var e="";dust.render("crystal.form.template",d.sample,function(a,b){e+=b}),$("#"+d.id).hide().html(e).fadeIn("fast"),$("#"+d.id).css("padding",d.padding),d.panel.doLayout()}}};EXI.getDataAdapter({onSuccess:e}).proposal.shipping.getContainerById(this.containerId,this.containerId,this.containerId)},EditCrystalFormView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{html:'
        ',autoScroll:!1,padding:this.padding,width:this.width}]}),this.panel},EditCrystalFormView.prototype.load=function(a){var b=this;if(this.crystal=a,null!=a.crystalId)if(""!=a.crystalId){var c=function(a,c){b.crystal=c,b.render()};EXI.getDataAdapter({onSuccess:c}).mx.crystal.getCrystalById(a.crystalId)}else this.render();else $("#"+this.id).hide().html("

        There was an error loading the crystal

        ").fadeIn("fast"),this.panel.doLayout()},EditCrystalFormView.prototype.render=function(){var a=this;this.crystal.spaceGroups=ExtISPyB.spaceGroups,this.crystal.id=this.id;var b="";dust.render("crystal.edit.form.template",this.crystal,function(a,c){b=c}),$("#"+this.id).hide().html(b).fadeIn("fast"),this.panel.doLayout(),$("#"+this.id+"-space-group").on("change",function(){a.setCellValuesBySpaceGroup(this.value)}),this.setCellValuesBySpaceGroup($("#"+this.id+"-space-group").val())},EditCrystalFormView.prototype.save=function(){var a=this,b={spaceGroup:$("#"+this.id+"-space-group").val(),cellA:$("#"+this.id+"-cellA").val(),cellB:$("#"+this.id+"-cellB").val(),cellC:$("#"+this.id+"-cellC").val(),cellAlpha:$("#"+this.id+"-cellAlpha").val(),cellBeta:$("#"+this.id+"-cellBeta").val(),cellGamma:$("#"+this.id+"-cellGamma").val(),name:$("#"+this.id+"-name").val(),comments:$("#"+this.id+"-comments").val()};if(""!=b.cellA&&""!=b.cellB&&""!=b.cellC){this.panel.setLoading();var c=function(b,c){EXI.proposalManager.get(!0),a.onSaved.notify(c),a.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).mx.crystal.save(this.crystal.proteinVO.proteinId,this.crystal.crystalId,b.name,b.spaceGroup,b.cellA,b.cellB,b.cellC,b.cellAlpha,b.cellBeta,b.cellGamma,b.comments)}else $("#"+this.id+"-cellsABC").notify("The values A, B and C must be filled",{className:"error"})},EditCrystalFormView.prototype.setCellValuesBySpaceGroup=function(a){var b=this,c=function(a,c){var d="",e="",f="";if(c&&c.length>0&&c[0].geometryClassnameVO){switch(c[0].geometryClassnameVO.geometryClassname){case"Primitive triclinic":break;case"Primitive monoclinic":d=90,f=90;break;case"Centred monoclinic":d=90,f=90;break;case"Primitive orthohombic":d=90,e=90,f=90;break;case"C-centred orthohombic":d=90,e=90,f=90;break;case"I-centred orthohombic":d=90,e=90,f=90;break;case"F-centred orthohombic":d=90,e=90,f=90;break;case"Primitive tetragonal":d=90,e=90,f=90;break;case"I-centred tetragonal":d=90,e=90,f=90;break;case"Primitive trigonal":d=90,e=90,f=120;break;case"Primitive hexagonal":d=90,e=90,f=120;break;case"Rhombohedral":d=90,e=90,f=120;break;case"Primitive cubic":d=90,e=90,f=90;break;case"I-centred cubic":d=90,e=90,f=90;break;case"F-centred cubic":d=90,e=90,f=90}b.manageCellValueUpdate("#"+b.id+"-cellAlpha",d),b.manageCellValueUpdate("#"+b.id+"-cellBeta",e),b.manageCellValueUpdate("#"+b.id+"-cellGamma",f)}};EXI.getDataAdapter({onSuccess:c}).mx.crystal.getGeometryclassBySpacegroup(a)},EditCrystalFormView.prototype.manageCellValueUpdate=function(a,b){""!=b?($(a).prop("disabled",!0),$(a).val(b)):$(a).prop("disabled",!1)},GenericContainerSpreadSheet.prototype.getPanel=SpreadSheet.prototype.getPanel,GenericContainerSpreadSheet.prototype.setLoading=SpreadSheet.prototype.setLoading,GenericContainerSpreadSheet.prototype.getAcronyms=SpreadSheet.prototype.getAcronyms,GenericContainerSpreadSheet.prototype.getHeaderWidth=SpreadSheet.prototype.getHeaderWidth,GenericContainerSpreadSheet.prototype.getHeaderId=SpreadSheet.prototype.getHeaderId,GenericContainerSpreadSheet.prototype.getHeaderText=SpreadSheet.prototype.getHeaderText,GenericContainerSpreadSheet.prototype.getColumns=SpreadSheet.prototype.getColumns, +GenericContainerSpreadSheet.prototype.parseTableData=SpreadSheet.prototype.parseTableData,GenericContainerSpreadSheet.prototype.getData=SpreadSheet.prototype.getData,GenericContainerSpreadSheet.prototype.loadData=SpreadSheet.prototype.loadData,GenericContainerSpreadSheet.prototype.setDataAtCell=SpreadSheet.prototype.setDataAtCell,GenericContainerSpreadSheet.prototype.getColumnIndex=SpreadSheet.prototype.getColumnIndex,GenericContainerSpreadSheet.prototype.disableAll=SpreadSheet.prototype.disableAll,GenericContainerSpreadSheet.prototype.setContainerType=SpreadSheet.prototype.setContainerType,GenericContainerSpreadSheet.prototype.updateNumberOfRows=SpreadSheet.prototype.updateNumberOfRows,GenericContainerSpreadSheet.prototype.emptyRow=SpreadSheet.prototype.emptyRow,GenericContainerSpreadSheet.prototype.load=function(a){function b(a,b,d,e,f,g,h){return Handsontable.renderers.TextRenderer.apply(this,arguments),a.getDataAtRow(d)[1]?(2==e&&(g&&""!=g||(b.className="custom-row-text-required")),void(e!=c.unitCellIndex&&e!=c.spaceGroupIndex||(b.style.background="#EEE"))):void(b.style.background="#EEE")}var c=this;this.container=a;var d=document.getElementById(this.id+"_samples"),e=this.getSamplesData(a);Handsontable.renderers.registerRenderer("ValueRenderer",b),this.spreadSheet=new Handsontable(d,{afterCreateRow:function(a,b){e.splice(a,b)},beforeChange:function(a,b){lastChange=a},data:e,height:this.height,width:this.width,manualColumnResize:!0,colWidths:this.getHeaderWidth(),colHeaders:this.getHeaderText(),stretchH:"last",columns:this.getColumns()})},GenericContainerSpreadSheet.prototype.getSamplesData=function(a){for(var b=[],c=0;cAcronym",id:"Protein Acronym",column:{width:100,type:"dropdown",source:this.getAcronyms()}},{text:"Sample
        Name",id:"Sample Name",column:{width:120}},{text:"Comments",id:"Comments",column:{width:200}}]},GenericContainerSpreadSheet.prototype.getPuck=function(){function a(a){return _.filter(a,function(a){return a.BLSample_location==b[d].location})}var b=this.parseTableData(),c={};c.sampleVOs=[];for(var d=0;d0&&(e=f[0]),e.Protein_acronym=b[d]["Protein Acronym"],e.BLSample_name=b[d]["Sample Name"],e.location=b[d].location,e.BLSample_comments=b[d].Comments,e.crystalVO={proteinVO:EXI.proposalManager.getProteinByAcronym(b[d]["Protein Acronym"])[0]},e.diffractionPlanVO={},c.sampleVOs.push(e)}return c},OtherContainerForm.prototype.load=function(a){a&&(this.container=a,this.container.samples||(this.container.samples=[]),this.container.capacity||(this.container.capacity=a.samples.length),Ext.getCmp(this.id+"container_name").setValue(a.code),Ext.getCmp(this.id+"capacity").setValue(this.container.capacity),this.containerSpreadSheet.load(this.container),this.panel.doLayout())},OtherContainerForm.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.form.Panel",{autoScroll:!0,buttons:this.getButtons(),items:[{xtype:"container",margin:"5 0 2 5",layout:"hbox",items:[{xtype:"container",margin:"12 0 2 0",layout:"hbox",items:[{xtype:"requiredtextfield",id:this.id+"container_name",fieldLabel:"Name",name:"name",width:250,margin:"5 5 5 5",labelWidth:100},{xtype:"numberfield",id:this.id+"capacity",fieldLabel:"Capacity",width:250,disabled:!1,margin:"5 5 5 10",labelWidth:100,minValue:0,listeners:{change:function(b,c,d){a.panel.setLoading(!0),a.containerSpreadSheet.updateNumberOfRows(c),a.panel.setLoading(!1)}}}]}]},this.containerSpreadSheet.getPanel()]}),this.panel},OtherContainerForm.prototype.getButtons=function(){var a=this;return[{text:"Save",id:this.id+"-save-button",handler:function(){a.save()}},{text:"Cancel",handler:function(){a.onCancel.notify()}}]},OtherContainerForm.prototype.getContainer=function(){return this.container.code=Ext.getCmp(this.id+"container_code").getValue(),this.container.containerType="OTHER",this.container.capacity=this.container.samples.length,this.container},OtherContainerForm.prototype.save=function(){var a=this;this.panel.setLoading("Saving Puck");var b=this.containerSpreadSheet.getPuck();b.code=Ext.getCmp(a.id+"container_name").getValue(),b.capacity=Ext.getCmp(a.id+"capacity").getValue(),b.containerType="OTHER",b.containerId=this.container.containerId;var c=function(b,c){a.panel.setLoading(!1),EXI.setError(c.responseText)},d=function(c){a.panel.setLoading(!1),a.onSave.notify(b)};EXI.getDataAdapter({onSuccess:d,onError:c}).proposal.shipping.saveContainer(this.container.containerId,this.container.containerId,this.container.containerId,b)},ParcelGrid.prototype._getTopButtons=function(){var a=this;return Ext.create("Ext.Action",{id:this.id+"-add-button",icon:"../images/icon/add.png",text:"Add",disabled:!0,handler:function(b,c){a.edit()}})},ParcelGrid.prototype.load=function(a){function b(a,b){c.panel.setLoading(),b.sessionId=b.firstExperimentId,b.shippingId=c.shipment.shippingId;var d=function(a,b){c.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:d}).proposal.dewar.saveDewar(c.shipment.shippingId,b)}var c=this;this.shipment=a,this.dewars=a.dewarVOs,this.panel.removeAll(),this.dewars.sort(function(a,b){return a.dewarId-b.dewarId}),Ext.getCmp(this.id+"-label").setText("Content ("+this.dewars.length+" Parcels)"),Ext.getCmp(this.id+"-add-button").enable();for(var d in this.dewars){var e=new ParcelPanel({height:90,width:this.width-60,shippingId:this.shipment.shippingId,shippingStatus:this.shipment.shippingStatus,index:Number(d)+1});this.panel.insert(e.getPanel()),e.load(this.dewars[d],this.shipment),e.onSavedClick.attach(b)}},ParcelGrid.prototype.edit=function(a){var b=this,c=new CaseForm,d=Ext.create("Ext.window.Window",{title:"Parcel",height:450,width:600,modal:!0,layout:"fit",items:[c.getPanel(a)],listeners:{afterrender:function(a,c){null!=b.puck&&b.render(b.puck)}},buttons:[{text:"Save",handler:function(){new DataAdapter;b.panel.setLoading();var a=c.getDewar(),e=function(a,c){b.load(c),b.panel.setLoading(!1),d.close()};a.sessionId=a.firstExperimentId,a.shippingId=b.shipment.shippingId,EXI.getDataAdapter({onSuccess:e}).proposal.dewar.saveDewar(b.shipment.shippingId,a)}},{text:"Cancel",handler:function(){d.close()}}]});d.show()},ParcelGrid.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{cls:"border-grid",width:this.width,autoScroll:!0,autoHeight:!0,maxHeight:this.height,padding:this.padding}),this.panel.addDocked({height:45,xtype:"toolbar",items:[{xtype:"label",text:"Content (0 Parcels)",id:this.id+"-label"},a._getTopButtons()],cls:"exi-top-bar"}),this.panel},PuckFormView.prototype.load=function(a,b,c){var d=this;this.shippingId=b,this.shippingStatus=c,this.containerId=a,this.panel.setTitle("Shipment");var e=function(a,b){d.puck=b,null!=b&&(Ext.getCmp(d.id+"puck_name").setValue(d.puck.code),d.puck.capacity?d.capacityCombo.setValue(d.puck.capacity):$.notify("ERROR: The capacity of the container is not defined.","error"),Ext.getCmp(d.id+"puck_beamline").setValue(d.puck.beamlineLocation),Ext.getCmp(d.id+"puck_sampleChangerLocation").setValue(d.puck.sampleChangerLocation),Ext.getCmp(d.id+"puck_status").setValue(d.puck.containerStatus)),d.fillSamplesGrid(b)};EXI.getDataAdapter({onSuccess:e}).proposal.shipping.getContainerById(this.containerId,this.containerId,this.containerId)},PuckFormView.prototype.fillSamplesGrid=function(a){var b=this;this.containerSpreadSheet.setLoading(!0);var c=function(c,d){if(d){if(d.length>0?b.containerSpreadSheet.setRenderCrystalFormColumn(!0):b.containerSpreadSheet.setRenderCrystalFormColumn(!1),b.containerSpreadSheet.setContainerType(a.containerType),b.containerSpreadSheet.load(a),"processing"!=b.shippingStatus){var e=_.filter(d,{DataCollectionGroup_dataCollectionGroupId:null});e.length==d.length&&(Ext.getCmp(b.id+"_save_button").enable(),Ext.getCmp(b.id+"_remove_button").enable(),b.capacityCombo.enable())}else b.containerSpreadSheet.disableAll();b.containerSpreadSheet.setLoading(!1),b.containerSpreadSheet.renderCrystalFormColumn&&b.setValuesForEditCrystalColumn()}};EXI.getDataAdapter({onSuccess:c}).mx.sample.getSamplesByContainerId(a.containerId)},PuckFormView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{autoScroll:!0,buttons:this.getToolBar(),items:[{xtype:"container",margin:"5 0 2 5",layout:"hbox",items:[{xtype:"container",margin:"12 0 2 0",layout:"hbox",items:[{xtype:"requiredtextfield",id:this.id+"puck_name",fieldLabel:"Name",name:"name",width:250,margin:"5 5 5 5",labelWidth:100},this.capacityCombo.getPanel(),{xtype:"textfield",id:this.id+"puck_beamline",fieldLabel:"Beamline",width:250,disabled:!0,margin:"5 5 5 10",labelWidth:100},{xtype:"textfield",id:this.id+"puck_sampleChangerLocation",fieldLabel:"#Sample Changer",width:300,disabled:!0,margin:"5 5 5 5",labelWidth:150},{xtype:"textfield",id:this.id+"puck_status",fieldLabel:"Status",width:250,disabled:!0,margin:"5 5 5 5",labelWidth:100}]}]},this.containerSpreadSheet.getPanel()]}),this.panel},PuckFormView.prototype.getToolBar=function(){var a=this;return[{text:"Remove",id:this.id+"_remove_button",width:100,height:30,disabled:!0,cls:"btn-red",handler:function(){function b(b){"yes"==b&&a.removePuck()}Ext.MessageBox.show({title:"Remove",msg:"Removing a puck from this parcel will remove also its content.
        Are you sure you want to continue?",buttons:Ext.MessageBox.YESNO,fn:b,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})}},"->",{text:"Save",id:this.id+"_save_button",width:100,height:30,disabled:!0,handler:function(){a.save()}},{text:"Return to shipment",width:200,height:30,handler:function(){a.returnToShipment()}}]},PuckFormView.prototype.removePuck=function(){var a=this;this.panel.setLoading();var b=function(b,c){a.panel.setLoading(!1),location.href="#/shipping/"+a.shippingId+"/main"};EXI.getDataAdapter({onSuccess:b}).proposal.shipping.removeContainerById(this.containerId,this.containerId,this.containerId)},PuckFormView.prototype.returnToShipment=function(){this.puck.code!=Ext.getCmp(this.id+"puck_name").getValue()&&(this.unsavedChanges=!0),this.unsavedChanges?this.showReturnWarning():location.href="#/shipping/"+this.shippingId+"/main"},PuckFormView.prototype.save=function(a){var b=this,c=this.containerSpreadSheet.getPuck();if(c.sampleVOs&&c.sampleVOs.length>0){var d=_.map(c.sampleVOs,"name");if(d.indexOf(null)>=0||d.indexOf("")>=0)return void $.notify("There are samples without a Sample Name","error")}c.code=Ext.getCmp(b.id+"puck_name").getValue(),c.capacity=b.capacityCombo.getSelectedCapacity(),c.containerType=b.capacityCombo.getSelectedType();var e=function(a,c){b.panel.setLoading(!1),EXI.setError(c.responseText)},f=function(c,d){b.unsavedChanges=!1,b.panel.setLoading(!1),a?location.href="#/shipping/"+b.shippingId+"/main":b.load(b.containerId,b.shippingId)};this.panel.setLoading("Saving Puck"),EXI.getDataAdapter({onSuccess:f,onError:e}).proposal.shipping.saveContainer(this.containerId,this.containerId,this.containerId,c)},PuckFormView.prototype.containerTypeChanged=function(a){var b=(this.capacityCombo.getTypeByCapacity(this.puck.capacity),this.capacityCombo.getTypeByCapacity(a));this.puck.capacity=a,this.containerSpreadSheet.setContainerType(b),this.containerSpreadSheet.updateNumberOfRows(a)},PuckFormView.prototype.setValuesForEditCrystalColumn=function(a){for(var b=this.containerSpreadSheet.parseTableData(),c=this.containerSpreadSheet.getColumnIndex("editCrystalForm"),d=0;d
        Do you want to save the changes to the container '+a.puck.code+"?
        "}],buttons:[{text:"Yes",handler:function(){b.close(),a.save(!0)}},{text:"No",handler:function(){b.close(),location.href="#/shipping/"+a.shippingId+"/main"}},{text:"Cancel",handler:function(){b.close()}}]});b.show()},ShipmentEditForm.prototype.load=function(a){this.shipment=a;var b=EXI.proposalManager.getLabcontacts(),c=$.extend(EXI.proposalManager.getLabcontacts(),[{cardName:"Same as for shipping to beamline",labContactId:-1},{cardName:"No return requested",labContactId:0}]),d="",e="",f="";a&&a.sessions.length>0&&(e=a.sessions[0].beamlineName,f=new Date(a.sessions[0].startDate).toLocaleDateString());var g=function(a,b){var c=new Date(a.BLSession_startDate),d=new Date(b.BLSession_startDate);return c===d?0:d>c?1:-1},h=EXI.proposalManager.getSessions();h.sort(g);for(var i=[],j=new Date((new Date).toDateString()),k=0;kn&&(n="0"+n),10>o&&(o="0"+o);var q=n+"/"+o+"/"+p;i.push({sessionId:l.sessionId,date:m.toLocaleDateString(),formattedDate:q,beamLineName:l.beamLineName})}}dust.render("shipping.edit.form.template",{id:this.id,sessions:i,to:c,from:b,beamlineName:e,startDate:f,shipment:a},function(a,b){d=b}),$("#"+this.id).hide().html(d).fadeIn("fast"),this.panel.doLayout()},ShipmentEditForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{html:'
        ',autoScroll:!1,padding:this.padding,width:this.width}]}),this.panel},ShipmentEditForm.prototype.saveShipment=function(){var a=this,b=$("#"+this.id+"-to").val(),c=$("#"+this.id+"-from").val(),d=null;if(this.shipment&&(d=this.shipment.shippingId),null==b)return void BUI.showError("User contact information for shipping to beamline is mandatory");"No return requested"==c&&(c=0),"Same as for shipping to beamline"==c&&(c=-1);var e=EXI.proposalManager.getLabcontactById(b),f={shippingId:d,name:$("#"+this.id+"-name").val(),status:"Not set",sendingLabContactId:b,returnLabContactId:c,returnCourier:c,courierAccount:e.courierAccount,billingReference:e.billingReference,dewarAvgCustomsValue:e.dewarAvgCustomsValue,dewarAvgTransportValue:e.dewarAvgTransportValue,comments:$("#"+this.id+"-comments").val(),sessionId:$("#"+this.id+"-date").val()},g=function(b,c){a.panel.setLoading(!1),a.onSaved.notify(c)};return""==f.name?void BUI.showError("Name field is mandatory"):null==f.sendingLabContactId?void BUI.showError("Lab contact for sending field is mandatory"):(this.panel.setLoading(),void EXI.getDataAdapter({onSuccess:g}).proposal.shipping.saveShipment(f))},ShipmentForm.prototype.load=function(a){this.shipment=a;var b=this,c=EXI.proposalManager.getLabcontacts(),d=$.extend(EXI.proposalManager.getLabcontacts(),[{cardName:"Same as for shipping to beamline",labContactId:-1},{cardName:"No return requested",labContactId:0}]),e="",f="",g="";a&&a.sessions.length>0&&(f=a.sessions[0].beamlineName,g=moment(a.sessions[0].startDate).format("DD/MM/YYYY")),dust.render("shipping.form.template",{id:this.id,to:c,from:d,beamlineName:f,startDate:g,shipment:a},function(a,b){e=b}),$("#"+b.id).hide().html(e).fadeIn("fast"),null!=a&&"processing"==a.shippingStatus||($("#"+b.id+"-edit-button").prop("disabled",!1),$("#"+b.id+"-edit-button").unbind("click").click(function(a){b.edit()})),this.panel.doLayout()},ShipmentForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{cls:"border-grid",html:'
        ',autoScroll:!1,margin:10,padding:this.padding,width:this.width}]}),this.panel},ShipmentForm.prototype.edit=function(a){var b=this,c=new ShipmentEditForm;c.onSaved.attach(function(a,c){b.shipment?b.load(c):b.onSaved.notify(c),d.close()});var d=Ext.create("Ext.window.Window",{title:"Shipment",height:450,width:600,modal:!0,layout:"fit",items:[c.getPanel()],buttons:[{text:"Save",handler:function(){c.saveShipment()}},{text:"Cancel",handler:function(){d.close()}}]}).show();c.load(this.shipment)},ShippingMainView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"vbox",align:"center"},autoScroll:!0,cls:"border-grid",items:[this.shipmentForm.getPanel(),this.parcelGrid.getPanel()]}),this.panel},ShippingMainView.prototype.load=function(a){var b=this;if(this.shippingId=a,this.panel.setTitle("Shipment"),null!=a){this.panel.setLoading();var c=function(a,c){b.shipmentForm.load(c),b.parcelGrid.load(c),b.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).proposal.shipping.getShipment(a)}else b.shipmentForm.load(),b.panel.setLoading(!1)},WelcomeMainView.prototype.getPanel=MainView.prototype.getPanel,WelcomeMainView.prototype.getContainer=function(){return{layout:{type:"fit"},items:[{html:"",margin:"50 0 0 50"}]}},WelcomeMainView.prototype.load=function(){},AddressEditForm.prototype.load=function(a){this.address={},a&&(this.address=a),this.address.id=this.id;var b="";dust.render("address.edit.form.template",this.address,function(a,c){b=c}),$("#"+this.id).hide().html(b).fadeIn("fast"),this.panel.doLayout()},AddressEditForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{html:'
        ',autoScroll:!1,margin:10,padding:this.padding,width:this.width}]}),this.panel},AddressEditForm.prototype.save=function(){var a=this,b=this.getAddress(),c=function(c,d){a.onSaved.notify(b)};EXI.getDataAdapter({onSuccess:c}).proposal.labcontacts.saveLabContact(b)},AddressEditForm.prototype.getAddress=function(){var a={};return a=this.address,a.labContactId||(a.labContactId=null),a.personVO||(a.personVO={},a.personVO.personId=null),a.personVO.emailAddress=$("#"+this.id+"-emailAddress").val(),a.personVO.familyName=$("#"+this.id+"-familyName").val(),a.personVO.givenName=$("#"+this.id+"-givenName").val(),a.personVO.phoneNumber=$("#"+this.id+"-phoneNumber").val(),a.personVO.faxNumber=$("#"+this.id+"-faxNumber").val(),a.cardName=$("#"+this.id+"-cardName").val(),a.courierAccount=$("#"+this.id+"-courierAccount").val(),a.defaultCourrierCompany=$("#"+this.id+"-defaultCourrierCompany").val(),a.dewarAvgCustomsValue=$("#"+this.id+"-dewarAvgCustomsValue").val(),a.dewarAvgTransportValue=$("#"+this.id+"-dewarAvgTransportValue").val(),a.billingReference=$("#"+this.id+"-billingReference").val(),a.labName=$("#"+this.id+"-labName").val(),a.labAddress=$("#"+this.id+"-labAddress").val(),a},AddressForm.prototype.getAddress=function(){return null==this.address&&(this.address={}),this.address.billingReference=Ext.getCmp(this.id+"billingReference").getValue(),this.address.cardName=Ext.getCmp(this.id+"cardName").getValue(),this.address.courierAccount=Ext.getCmp(this.id+"courierAccount").getValue(),this.address.defaultCourrierCompany=Ext.getCmp(this.id+"courrierCompany").getValue(),this.address.dewarAvgCustomsValue=Ext.getCmp(this.id+"dewarAvgCustomsValue").getValue(),this.address.dewarAvgTransportValue=Ext.getCmp(this.id+"dewarAvgTransportValue").getValue(),null==this.address.personVO&&(this.address.personVO={}),this.address.personVO.emailAddress=Ext.getCmp(this.id+"emailAddress").getValue(),this.address.personVO.familyName=Ext.getCmp(this.id+"familyName").getValue(),this.address.personVO.givenName=Ext.getCmp(this.id+"name").getValue(),this.address.personVO.faxNumber=Ext.getCmp(this.id+"faxNumber").getValue(),this.address.personVO.phoneNumber=Ext.getCmp(this.id+"phoneNumber").getValue(),this.address},AddressForm.prototype.load=function(a){this.address=a;var b="";dust.render("address.form.template",a,function(a,c){b=c}),$("#"+this.id).hide().html(b).fadeIn("fast"),this.panel.doLayout()},AddressForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{cls:"border-grid",title:"Shipping Address Card",buttons:this.getToolBar(),icon:"../images/icon/ic_email_black_24dp.png",items:[{html:'
        ',autoScroll:!1,margin:10,padding:this.padding,width:this.width}]}),this.panel},AddressForm.prototype.getToolBar=function(){var a=this;return[{text:"Edit",hidden:a.isSaveButtonHidden,width:100,handler:function(){a.edit()}}]},AddressForm.prototype.edit=function(a){var b=this,c=new AddressEditForm;c.onSaved.attach(function(a,c){d.close(),b.load(c)});var d=Ext.create("Ext.window.Window",{title:"Shipping Address Card",height:550,width:750,modal:!0,layout:"fit",items:[c.getPanel()],buttons:[{text:"Save",handler:function(){c.save()}},{text:"Cancel",handler:function(){d.close()}}]}).show();c.load(this.address)},AuthenticationForm.prototype.show=function(){this.window=Ext.create("Ext.window.Window",{title:"Login",height:250,closable:!1,width:450,modal:!0,layout:"fit",items:[this.getPanel()]}),this.window.show()},AuthenticationForm.prototype.getAuthenticationForm=function(){if(ExtISPyB.sites&&ExtISPyB.sites.length>1){var a=Ext.create("Ext.data.Store",{fields:["name","url","exiUrl"],data:ExtISPyB.sites});return{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"User",name:"user",margin:"10 0 0 10",allowBlank:!1},{xtype:"textfield",fieldLabel:"Password",margin:"10 0 0 10",name:"password",allowBlank:!1,inputType:"password"},{xtype:"combo",fieldLabel:"Choose site",name:"site",store:a,allowBlank:!1,valueField:"url",displayField:"name",margin:"10 0 0 10"}]}}return{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"User",name:"user",margin:"30 0 0 10",allowBlank:!1},{xtype:"textfield",fieldLabel:"Password",margin:"10 0 0 10",name:"password",allowBlank:!1,inputType:"password"}]}},AuthenticationForm.prototype.getIconForm=function(){return this.singleSite?{xtype:"image",src:this.site.icon,width:75,height:75,margin:"30 0 0 10"}:void 0},AuthenticationForm.prototype.getPanel=function(){var a=this;return ExtISPyB.sites&&1==ExtISPyB.sites.length&&(this.singleSite=!0,this.siteURL=ExtISPyB.sites[0].url,this.site=ExtISPyB.sites[0],this.icon=ExtISPyB.sites[0].icon),Ext.create("Ext.form.Panel",{bodyPadding:5,width:370,layout:"vbox",defaults:{anchor:"90%"},defaultType:"textfield",items:[{xtype:"container",layout:"hbox",items:[this.getIconForm(),this.getAuthenticationForm()]}],buttons:[{text:"Login",formBind:!0,disabled:!0,handler:function(){var b=this.up("form").getForm(),c=null;a.singleSite||(a.siteURL=b.getFieldValues().site);for(var d=0;d
        Code: '+d+'
        Select one of the options below:
        '}],buttons:[{text:"Edit",handler:function(){"StockSolution"==a.type?location.href="#/stocksolution/"+a.containerId+"/main":"OTHER"==a.type?a.openEditOtherContainerForm():location.href="#/shipping/"+a.shippingId+"/"+a.shippingStatus+"/containerId/"+a.containerId+"/edit",e.close()}},{text:"Remove",disabled:"processing"==a.shippingStatus,handler:function(){a.removeButtonClicked(),e.close()}},{text:"Cancel",handler:function(){e.close()}}]});e.show()}),this.container.onMouseOver.attach(function(a,b){b.focus(!0)}),this.container.onMouseOut.attach(function(a,b){b.focus(!1)});var b=2*this.data.mainRadius+5;return this.containerPanel=Ext.create("Ext.panel.Panel",{width:this.width,height:b,items:[this.container.getPanel()]}),this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"vbox",align:"center",pack:"center"},width:this.width,height:this.height,items:[this.containerPanel]}),this.height>=45&&this.panel.insert({html:"
        "+this.data.code+"
        ",height:.25*this.height,width:this.width}),this.panel},ContainerParcelPanel.prototype.load=function(a){this.containerPanel.removeAll(),this.containerPanel.add(this.container.getPanel()),a.length>0&&(this.container.loadSamples(a),this.container.containerId||(this.container.containerId=this.containerId));var b=_.filter(a,{DataCollectionGroup_dataCollectionGroupId:null});b.lengthAre you sure you want to continue?",buttons:Ext.MessageBox.YESNO,fn:a,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})},ContainerParcelPanel.prototype.openEditOtherContainerForm=function(){var a=this,b=new OtherContainerForm;b.onSave.attach(function(b,d){$("#"+a.id+"-name").html(d.code),a.container.samples=d.sampleVOs,a.container.capacity=d.capacity,c.close()}),b.onCancel.attach(function(a){c.close()});var c=Ext.create("Ext.window.Window",{title:"Container",height:600,width:1500,modal:!0,layout:"fit",items:[b.getPanel()],listeners:{afterrender:function(c,d){b.load(a.container)}}});c.show()},ContainerTypeComboBox.prototype.getPanel=function(){var a=this,b=Ext.create("Ext.data.Store",{fields:["type","capacity"],data:this.data});return this.panel=Ext.create("Ext.form.ComboBox",{layout:"fit",margin:"5 0 5 5",fieldLabel:this.label,store:b,labelStyle:"padding:5px",labelWidth:this.labelWidth,displayField:"type",value:"UNIPUCK",width:this.width,disabled:this.initDisabled}),this.panel.on("select",function(b,c){a.onSelected.notify(c[0].data)}),this.panel},ContainerTypeComboBox.prototype.getValue=function(){return this.panel.getValue()},ContainerTypeComboBox.prototype.getSelectedType=function(){var a=this.panel.getValue();return"UNIPUCK"!=a&&"SPINE"!=a||(a="Puck"),a},ContainerTypeComboBox.prototype.getSelectedCapacity=function(){return _.filter(this.data,{type:this.getValue()})[0].capacity},ContainerTypeComboBox.prototype.getTypeByCapacity=function(a){return _.filter(this.data,{capacity:a})[0].type},ContainerTypeComboBox.prototype.setValue=function(a){var b=this.getTypeByCapacity(a);this.panel.setValue(b)},ContainerTypeComboBox.prototype.enable=function(){this.panel.enable()},ContainerWidget.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{id:this.id+"-container",x:this.templateData.xMargin,y:this.templateData.yMargin,width:this.templateData.width+1,height:this.templateData.height+1,frame:!1,border:!1,bodyStyle:"background:transparent;",items:[{html:this.getSVG(),width:this.templateData.width+1,height:this.templateData.height+1}]}),this.panel.on("boxready",function(){a.templateData.enableMainClick&&$("#"+a.id).unbind("click").click(function(b){a.onClick.notify(b.target.id)}),a.templateData.enableMainMouseOver&&($("#"+a.id).unbind("mouseover").mouseover(function(b){a.onMouseOver.notify(a)}),$("#"+a.id).unbind("mouseout").mouseout(function(b){a.onMouseOut.notify(a)}))}),this.panel},ContainerWidget.prototype.loadSamples=function(a){this.samples=a,a&&a.length>0&&(this.containerId=a[0].Container_containerId)},ContainerWidget.prototype.getSVG=function(a){var b="";return dust.render("container.widget.template",this.templateData,function(a,c){b=c}),b},ContainerWidget.prototype.focus=function(a){a?$("#"+this.id).addClass("puck-selected"):$("#"+this.id).removeClass("puck-selected")},CurvePlotter.prototype.getPanel=function(){return this.plotPanel=Ext.create("Ext.container.Container",{layout:{type:"hbox"},flex:.7,margin:this.margin,items:[{html:'
        ',id:this.id}]}),this.plotPanel.on("afterrender",function(){}),this.plotPanel.on("resize",function(){}),this.plotPanel},CurvePlotter.prototype.getPointCount=function(){return this.dygraph.rawData_.length},CurvePlotter.prototype.getColors=function(){return this.dygraph.getColors()},CurvePlotter.prototype.getLabels=function(){return this.dygraph.getLabels()},CurvePlotter.prototype.render=function(a){var b=this;null!=document.getElementById(this.targetId)&&(document.getElementById(this.targetId).innerHTML="",this.width=this.plotPanel.getWidth(),this.height=this.plotPanel.getHeight(),document.getElementById(this.targetId).setAttribute("style","border: 1px solid #000000; height:"+(this.plotPanel.getHeight()-1)+"px;width:"+(this.plotPanel.getWidth()-2)+"px;"),Ext.getCmp(this.id).setHeight(this.plotPanel.getHeight()),Ext.getCmp(this.id).setWidth(this.plotPanel.getWidth()),this.dygraph=new Dygraph(document.getElementById(this.targetId),a,{title:this.title,titleHeight:20,legend:this.legend,labelsSeparateLines:!0,errorBars:!0,connectSeparatedPoints:!0,pointClickCallback:function(a,c){b.onPointClickCallback.notify(c.name)}}),this.dygraph.ready(function(){b.onRendered.notify()}))},CurvePlotter.prototype.loadMerge=function(a,b,c,d){this.render(EXI.getDataAdapter().saxs.hplc.getFramesMergeURL(a,b,c,d))},CurvePlotter.prototype.loadHPLCFrame=function(a,b){this.render(EXI.getDataAdapter().saxs.hplc.getHPLCFramesScatteringURL(a,b))},CurvePlotter.prototype.loadUrl=function(a){this.render(a)},CurvePlotter.prototype.load=function(a){this.render(EXI.getDataAdapter().saxs.frame.getFramesURL(a.frame,a.average,a.subtracted,a.sampleaverage,a.bufferaverage))},AutoProcIntegrationCurvePlotter.prototype.getPointCount=CurvePlotter.prototype.getPointCount,AutoProcIntegrationCurvePlotter.prototype.getLabels=CurvePlotter.prototype.getLabels,AutoProcIntegrationCurvePlotter.prototype.toCSV=function(a,b){for(var c=a.toString()+"\n",d=0;d
        '}, +AutoProcIntegrationCurvePlotter.prototype.getPanel=function(){return this.plotPanel=Ext.create("Ext.panel.Panel",{layout:{type:"fit"},height:this.height,margin:this.margin,items:[{html:this.getHTML(),id:this.id,style:{border:"1px solid black"},height:this.height,border:1}]}),this.plotPanel},ParcelPanel.prototype.load=function(a,b){var c=this;this.dewar=a,this.dewar.index=this.index,this.shipment=b;var d="";dust.render("parcel.panel.template",{id:this.id,dewar:this.dewar,height:this.height,width:this.width},function(a,b){d=b}),$("#"+this.id).hide().html(d).fadeIn("fast"),this.panel.doLayout(),"processing"!=this.shippingStatus&&($("#"+this.id+"-add-button").removeClass("disabled"),$("#"+this.id+"-add-button").click(function(){c.showAddContainerForm()}),$("#"+this.id+"-edit-button").removeClass("disabled"),$("#"+this.id+"-edit-button").click(function(){c.showCaseForm()})),$("#"+this.id+"-print-button").click(function(){var a=c.dewar.dewarId,b=EXI.getDataAdapter().proposal.shipping.getDewarLabelURL(a,a);location.href=b}),this.containersPanel=Ext.create("Ext.panel.Panel",{id:this.id+"-containers-panel",cls:"border-grid-light",margin:0*this.height+" 0 "+.05*this.height+" 0",width:this.containersPanelWidth,height:this.containersPanelHeight,autoScroll:!1,items:[],renderTo:this.id+"-container-panel-div"}),this.renderShipmentParameters(a),this.renderPucks(a)},ParcelPanel.prototype.renderShipmentParameters=function(a){var b="";dust.render("parcel.panel.parameter.table.template",{id:this.id,dewar:a,height:this.height},function(a,c){b=c}),$("#"+this.id+"-parameters-div").hide().html(b).fadeIn("fast"),""!=a.comments&&null!=a.comments?($("#"+this.id+"-comments").hide().html("Comments: "+a.comments).fadeIn("fast"),$("#"+this.id+"-index-td").attr("rowspan",2),$("#"+this.id+"-buttons-td").attr("rowspan",2),this.panel.setHeight(this.height+25)):(this.panel.setHeight(this.height),$("#"+this.id+"-index-td").attr("rowspan",1),$("#"+this.id+"-buttons-td").attr("rowspan",1)),this.panel.doLayout()},ParcelPanel.prototype.renderPucks=function(a){var b=this;if(this.containersPanel.setLoading(!1),null!=a&&null!=a.containerVOs){this.containersPanel.removeAll();var c=EXI.proposalManager.getStockSolutionsByDewarId(a.dewarId);if(a.containerVOs.length)var d=Math.floor(this.containersPanel.width/this.containersParcelWidth);null==d&&(d=Math.floor(this.containersPanel.width/this.containersParcelWidth));for(var e=Math.ceil((this.dewar.containerVOs.length+c.length)/d),f=[],g=0;e>g;g++){var h=Ext.create("Ext.panel.Panel",{layout:"hbox",width:this.containersPanelWidth,height:this.containersPanelHeight/e,autoScroll:!1,items:[]});f.push(h),this.containersPanel.insert(h)}a.containerVOs.sort(function(a,b){return a.containerId-b.containerId});for(var i={},j=[],g=0;g0&&(d.beamlineLocation=b.shipment.sessions[0].beamlineName),d.sampleVOs=[],b.dewar.containerVOs.push(d);var e=function(a){b.renderPucks(b.dewar)},f=function(a,c){EXI.setError(c.responseText),b.renderPucks(b.dewar)};EXI.getDataAdapter({onSuccess:e,onError:f}).proposal.shipping.saveContainer(b.shippingId,b.dewar.dewarId,d.containerId,d)};EXI.getDataAdapter({onSuccess:d}).proposal.shipping.addContainer(this.shippingId,this.dewar.dewarId,a.containerType,a.capacity)}},ParcelPanel.prototype.showCaseForm=function(){var a=this,b=new CaseForm,c=Ext.create("Ext.window.Window",{title:"Parcel",height:450,width:600,modal:!0,layout:"fit",items:[b.getPanel(a.dewar)],buttons:[{text:"Save",handler:function(){a.onSavedClick.notify(b.getDewar()),c.close(),a.renderShipmentParameters(a.dewar)}},{text:"Cancel",handler:function(){c.close()}}]});c.show()},ParcelPanel.prototype.showAddContainerForm=function(){var a=this,b=new AddContainerForm;b.onSave.attach(function(b,d){a.addContainerToDewar(d),c.close()}),b.onCancel.attach(function(a){c.close()});var c=Ext.create("Ext.window.Window",{title:"Container",height:450,width:600,modal:!0,layout:"fit",items:[b.getPanel(a.dewar)]});c.show()},ParcelPanel.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{cls:"border-grid",margin:10,height:this.height,width:this.width,autoScroll:!1,items:[{html:'
        ',autoScroll:!1,padding:this.padding,width:this.width}]}),this.panel},ProposalGrid.prototype.load=function(a){this.data=a,this.store.loadData(a,!1)},ProposalGrid.prototype.getFilter=function(a){return[{property:"Proposal_proposalNumber",value:a,anyMacth:!0}]},ProposalGrid.prototype.filter=function(a){},ProposalGrid.prototype._getTbar=function(){var a=this,b=[];return b.push({xtype:"textfield",name:"field1",emptyText:"search by number",hidden:this.isHidden,listeners:{change:function(b,c){var d=b.getValue();""!=d?a.store.filter(a.getFilter(b.getValue())):(a.store.clearFilter(!0),a.load(a.data))}}}),b},ProposalGrid.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{fields:["Proposal_proposalId","Proposal_title","Proposal_proposalCode","Proposal_proposalNumber","Proposal_proposalType"]}),this.store.sort(["Proposal_proposalCode","Proposal_proposalNumber"]),this.panel=Ext.create("Ext.grid.Panel",{title:"Proposals",store:this.store,tbar:this._getTbar(),layout:"fit",cls:"border-grid",height:this.height,margin:this.margin,emptyText:"No proposals",columns:[{text:"Proposal",dataIndex:"Proposal_code",width:125,renderer:function(a,b,c){return""+c.data.Proposal_proposalCode+c.data.Proposal_proposalNumber+""}},{text:"Code",dataIndex:"Proposal_number",width:75,hidden:!0},{text:"Number",dataIndex:"number",width:75,hidden:!0},{text:"Title",dataIndex:"Proposal_title",flex:1}],flex:1,viewConfig:{stripeRows:!0,listeners:{cellclick:function(b,c,d,e,f,g,h,i){a.onSelected.notify(e.data)}}}}),this.tbar&&this.panel.addDocked({xtype:"toolbar",cls:"toolBarGrid",height:48,items:this._getTbar()}),this.panel},SessionGrid.prototype.load=function(a){this.sessions=_.filter(a,function(a){return _.includes(EXI.credentialManager.getBeamlineNames(),a.beamLineName)}),this.store.loadData(this.sessions,!1)},SessionGrid.prototype.filterByBeamline=function(a){if(console.log(a),a)if(a.length>0){for(var b=[],c=0;c"+moment(c.data.BLSession_startDate,"MMMM Do YYYY, h:mm:ss a").format("MMMM Do YYYY")+"":void 0}},{text:"Beamline",dataIndex:"beamLineName",width:125,hidden:!1,renderer:function(a,b,c){var d="#";return d="SAXS"==EXI.credentialManager.getTechniqueByBeamline(c.data.beamLineName)?"#/session/nav/"+c.data.sessionId+"/session":"#/mx/datacollection/session/"+c.data.sessionId+"/main",""+c.data.beamLineName+""}},{text:"Proposal",dataIndex:"Proposal_ProposalNumber",flex:1,hidden:!1,renderer:function(a,b,c){var d=c.data.Proposal_proposalCode+c.data.Proposal_ProposalNumber;return""+d+""}},{text:"Shifts",dataIndex:"nbShifts",hidden:this.isHiddenNumberOfShifts,flex:1},{text:"Local Contact",dataIndex:"beamLineOperator",width:200,hidden:this.isHiddenLocalContact,flex:1},{text:"Title",dataIndex:"Proposal_title",width:200,hidden:this.isHiddenTitle,flex:4},{text:"PI",dataIndex:"Proposal_title",width:200,hidden:this.isHiddenPI,renderer:function(a,b,c){return c.data.Person_familyName+", "+c.data.Person_givenName}},{text:"e-mail",dataIndex:"Person_emailAddress",width:200,hidden:!0,flex:1},{text:"Data Collections",dataIndex:"Person_emailAddress",width:200,renderer:function(a,b,c){function d(a,b){return b&&0!=b?''+b+''+a+"":""}function e(a){var b="";return b=b+=d("Energy",a.data.energyScanCount),b+=d("XRF",a.data.xrfSpectrumCount),b+=d("Samples",a.data.sampleCount),b+=d("Test",a.data.testDataCollectionGroupCount),b+=d("Collects",a.data.dataCollectionGroupCount),b+=d("Calibration",a.data.calibrationCount),b+=d("Sample Changer",a.data.sampleChangerCount),b+=d("HPLC",a.data.hplcCount),b+"
        "}return e(c)}},{text:"End",dataIndex:"BLSession_endDate",hidden:!0,flex:1,renderer:function(a,b,c){return c.data.BLSession_endDate}},{text:"Comments",dataIndex:"comments",hidden:!1,flex:3,renderer:function(a,b,c){return c.data.comments?"
        "+c.data.comments+"
        ":void 0}}],viewConfig:{stripeRows:!0,getRowClass:function(a,b,c,d){}},listeners:{cellclick:function(b,c,d,e,f,g,h,i){a.onSelected.notify({proposalCode:e.data.Proposal_proposalCode,proposalNumber:e.data.Proposal_ProposalNumber})}}}),this.panel},StockSolutionContainer.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{id:this.id+"-container",x:this.templateData.xMargin,y:this.templateData.yMargin,width:this.templateData.width+1,height:this.templateData.height+1,cls:"border-grid",frame:!1,border:!1,bodyStyle:"background:transparent;",items:[{html:this.getHTML(),width:this.templateData.width+1,height:this.templateData.height+1}]}),this.panel.on("boxready",function(){a.templateData.enableMainClick&&$("#"+a.id).unbind("click").click(function(b){a.onClick.notify(b.target.id)}),a.setOnMouseOverEvent()}),this.panel},StockSolutionContainer.prototype.loadSamples=function(a){this.samples=a,a&&a.length>0&&(this.containerId=a[0].Container_containerId)},StockSolutionContainer.prototype.getHTML=function(a){var b="";return this.templateData.height<40?this.templateData.fillPanel=!1:this.templateData.fillPanel=!0,dust.render("stock.solution.container.template",this.templateData,function(a,c){b=c}),b},StockSolutionContainer.prototype.setOnMouseOverEvent=function(){var a=this;$("#"+this.id).unbind("mouseover").mouseover(function(b){if(a.onMouseOver.notify(a),a.templateData.height<40){var c=b.currentTarget.id;$("#"+c).addClass("stock-solution-focus");var d="";dust.render("stock.solution.tooltip.template",a.templateData,function(a,b){d=b}),$("body").append(d),$("#hoveringTooltipDiv-"+a.stockSolutionId).css({top:$(this).offset().top,left:$(this).offset().left+a.templateData.width})}}),$("#"+this.id).unbind("mouseout").mouseout(function(b){if(a.onMouseOut.notify(a),a.templateData.height<40){var c=b.currentTarget.id;$("#"+c).removeClass("stock-solution-focus"),$("#hoveringTooltipDiv-"+a.stockSolutionId).remove()}})},StockSolutionContainer.prototype.focus=function(a){a?$("#"+this.id+"-container").addClass("stock-solution-selected"):$("#"+this.id+"-container").removeClass("stock-solution-selected")},StockSolutionsGrid.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{storeId:"stockSolutionsGridStore",fields:["acronym","buffer","concentration","volume"],data:[]}),this.panel=Ext.create("Ext.grid.Panel",{width:this.width,border:1,store:this.store,disableSelection:!1,flex:.5,columns:[{header:"Acronym",dataIndex:"acronym",type:"text",flex:1,readOnly:!0},{header:"Buffer",dataIndex:"buffer",type:"text",flex:1,readOnly:!0},{header:"Concentration (mg/ml)",dataIndex:"concentration",type:"text",flex:1,readOnly:!0},{header:"Volume (μl)",dataIndex:"volume",type:"text",flex:1,readOnly:!0}],listeners:{itemclick:function(b,c,d,e,f){a.onSelected.notify(c)}}}),this.panel},StockSolutionsGrid.prototype.load=function(a){this.stockSolutions=a;for(var b=[],c=0;c0){var c=null;"STATIC"==b[0].experimentType&&(c=new ExperimentMainView),"HPLC"==b[0].experimentType&&(c=new HPLCMainView),"TEMPLATE"==b[0].experimentType&&(c=new TemplateMainView),EXI.addMainPanel(c),c.load(b),c.onSelect.attach(function(a,b){EXI.localExtorage.selectedSubtractionsManager.append(b)}),c.onDeselect.attach(function(a,b){EXI.localExtorage.selectedSubtractionsManager.remove(b)})}};"experimentId"==this.params.key||"templateId"==this.params.key?EXI.getDataAdapter({onSuccess:a}).saxs.experiment.getByExperimentId([this.params.value]):EXI.getDataAdapter({onSuccess:a}).saxs.experiment.getByExperimentByKey(this.params.key,this.params.value)}).enter(this.setPageBackground)},SAXSExiController.prototype.routeDataCollection=function(){Path.map("#/datacollection/macromoleculeAcronym/:value/main").to(function(){EXI.setLoadingMainPanel("Searching "+this.params.value+"...");var a=new ExperimentMainView;EXI.addMainPanel(a);var b=function(b,c){a.load(c),EXI.setLoadingMainPanel(!1)};null!=EXI.proposalManager.getMacromoleculeByAcronym(this.params.value)?EXI.getDataAdapter({onSuccess:b}).saxs.dataCollection.getDataCollectionsByMacromoleculeId(EXI.proposalManager.getMacromoleculeByAcronym(this.params.value).macromoleculeId):(BUI.showError("No Macromolecule Found"),EXI.setLoadingMainPanel(!1))}).enter(this.setPageBackground),Path.map("#/saxs/datacollection/:key/:value/main").to(function(){EXI.setLoadingMainPanel();var a=function(a,b){var c=new DataCollectionMainView;EXI.addMainPanel(c),c.load(b),EXI.setLoadingMainPanel(!1),c.onSelect.attach(function(a,b){EXI.localExtorage.selectedSubtractionsManager.append(b)}),c.onDeselect.attach(function(a,b){EXI.localExtorage.selectedSubtractionsManager.remove(b)})};EXI.getDataAdapter({onSuccess:a}).saxs.dataCollection.getDataCollectionsByKey(this.params.key,this.params.value)}).enter(this.setPageBackground),Path.map("#/saxs/datacollection/dataCollectionId/:dataCollectionId/primaryviewer").to(function(){var a=new PrimaryDataMainView;EXI.addMainPanel(a),a.load(this.params.dataCollectionId)}).enter(this.setPageBackground),Path.map("#/saxs/datacollection/dataCollectionId/:dataCollectionId/abinitio").to(function(){var a=new AbinitioMainView;EXI.addMainPanel(a),a.load(this.params.dataCollectionId)}).enter(this.setPageBackground),Path.map("#/saxs/datacollection/:key/:value/merge").to(function(){var a=function(a,b){var c=new MergeMainView;EXI.addMainPanel(c),c.load(b)};EXI.getDataAdapter({onSuccess:a}).saxs.dataCollection.getDataCollectionsByKey(this.params.key,this.params.value)}).enter(this.setPageBackground)},SAXSExiController.prototype.routePrepare=function(){Path.map("#/buffer/:bufferId/main").to(function(){var a=new BufferMainView;EXI.addMainPanel(a),a.load(this.params.bufferId)}).enter(this.setPageBackground),Path.map("#/buffer/add").to(function(){var a=new BufferMainView;EXI.addMainPanel(a)}).enter(this.setPageBackground),Path.map("#/macromolecule/:macromoleculeId/main").to(function(){var a=new MacromoleculeMainView;EXI.addMainPanel(a),a.load(this.params.macromoleculeId)}).enter(this.setPageBackground),Path.map("#/macromolecule/add").to(function(){var a=new MacromoleculeMainView;EXI.addMainPanel(a)}).enter(this.setPageBackground),Path.map("#/stocksolution/:stocksolutionId/main").to(function(){var a=new StockSolutionMainView;EXI.addMainPanel(a),a.load(this.params.stocksolutionId)}).enter(this.setPageBackground),Path.map("#/stocksolution/add").to(function(){var a=new StockSolutionMainView;EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground),Path.map("#/prepare/stocksolution/main").to(function(){var a=new StockSolutionMainView;EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground),Path.map("#/prepare/templates/main").to(function(){var a=new ExperimentDesignerMainView;EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground),Path.map("#/prepare/shipmentpreparation").to(function(){var a=new ShipmentPreparationMainView;EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground),Path.map("#/prepare/designer").to(function(){var a=new DesignerMainView;EXI.addMainPanel(a),a.load()}).enter(this.setPageBackground)},SAXSExiController.prototype.init=function(){function a(){b.notFound()}var b=this;this.routeNavigation(),this.routeExperiment(),this.routeDataCollection(),this.routePrepare(),Path.map("#/session/nav/:sessionId/session").to(function(){EXI.clearNavigationPanel(),EXI.setLoadingMainPanel(!0);var a=new SessionSaxsListView;a.onSelect.attach(function(a,b){"HPLC"==b[0].experimentType&&(location.hash="/experiment/hplc/"+b[0].experimentId+"/main"),"STATIC"!=b[0].experimentType&&"CALIBRATION"!=b[0].experimentType||(location.hash="/experiment/experimentId/"+b[0].experimentId+"/main"),"TEMPLATE"==b[0].experimentType&&(location.hash="/experiment/templateId/"+b[0].experimentId+"/main")});var b=function(b,c){EXI.addNavigationPanel(a),a.load(c),EXI.setLoadingMainPanel(!1)};EXI.getDataAdapter({onSuccess:b}).saxs.experiment.getExperimentsBySessionId(this.params.sessionId)}).enter(this.setPageBackground),Path.map("#/project/:projectId/run/:runId/main").to(function(){var a=this.params.projectId,b=this.params.runId,c=function(a,c){for(var d=0;d",{xtype:"textfield",name:"field1",emptyText:"search macromolecule",hidden:this.isHidden,listeners:{specialkey:function(a,b){b.getKey()==b.ENTER&&(location.hash="/datacollection/macromoleculeAcronym/"+a.getValue()+"/main")}}}]},SAXSMainMenu.prototype.getPreparationMenu=function(){function a(a,b){"Macromolecules"==a.text&&(location.hash="/saxs/macromolecule/nav"),"Buffers"==a.text&&(location.hash="/saxs/buffer/nav"),"Sample Tracking"==a.text&&(location.hash="/saxs/shipping/nav"),"My Experiments"==a.text&&(location.hash="/saxs/template/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"Macromolecules",icon:"../images/icon/macromolecule.png",handler:a},{text:"Buffers",icon:"../images/icon/buffer.jpg",handler:a},"-",{text:"My Experiments",icon:"../images/icon/edit.png",handler:a}]})},SAXSMainMenu.prototype.getDataReductionMenu=function(){function a(a,c){"Sessions"==a.text&&b.onSessionClicked.notify(),"Subtraction"==a.text&&(location.hash="/tool/subtraction/main"),"Experiments"==a.text&&b.onExperimentClicked.notify()}var b=this;return Ext.create("Ext.menu.Menu",{items:[{text:'SEC'},"-",{text:"Background Test"},{text:"Baseline Checker"},{text:"Frame Merge"},"-",{text:'INDIVIDUAL CONCENTRATION'},"-",{text:"Subtraction",checked:!1,group:"theme",checkHandler:a},{text:"Average"},"-",{text:'COMBINING'},"-",{text:"Merging tool"}]})},SAXSMainMenu.prototype.getDataExplorerMenu=function(){function a(a,b){"Calendar"==a.text&&(location.hash="/session/nav"),"Experiments"==a.text&&(location.hash="/experiment/nav")}return Ext.create("Ext.menu.Menu",{items:[{text:"Calendar",icon:"../images/icon/sessions.png",handler:a}]})},SAXSMainMenu.prototype.getOnlineDataAnalisysMenu=function(){function a(a,b){"Structure Validation"==a.text&&(location.hash="/tool/crysol/main"),"Job list"==a.text&&(location.hash="/tool/list")}return Ext.create("Ext.menu.Menu",{items:[{text:"Structure Validation",checked:!1,group:"theme",handler:a},"-",{text:"Job list",checked:!1,group:"theme",handler:a}]})},BufferListView.prototype.getPanel=ListView.prototype.getPanel,BufferListView.prototype.load=ListView.prototype.load,BufferListView.prototype.getRow=function(a){var b="";return b=b+"",b=b+"",b+"
        Acronym:"+a.data.acronym+"
        name:"+a.data.name+"
        "},BufferListView.prototype.getFilter=function(a){return[{property:"acronym",value:a,anyMacth:!0}]},BufferListView.prototype.getColumns=function(){var a=this;return[{text:"Buffers",flex:1,dataIndex:"bufferId",renderer:function(b,c,d){return a.getRow(d)}}]},BufferListView.prototype.getFields=function(){return["acronym","name"]},DataCollectionListView.prototype.getPanel=ListView.prototype.getPanel,DataCollectionListView.prototype.load=ListView.prototype.load,DataCollectionListView.prototype.getRow=function(a){var b="";return b=b+"",b=b+"",b=b+"",b+"
        Macromolecule:"+a.data.macromoleculeAcronym+"
        Buffer:"+a.data.bufferAcronym+"
        Count:"+a.data.dataCollections+"
        "},DataCollectionListView.prototype.getFilter=function(a){return[{property:"bufferAcronym",value:a,anyMacth:!0}]},DataCollectionListView.prototype.getColumns=function(){var a=this;return[{text:"Data Collections",flex:1,dataIndex:"bufferAcronym",renderer:function(b,c,d){return a.getRow(d)}}]},DataCollectionListView.prototype.getFields=function(){return["macromoleculeAcronym","bufferAcronym","macromoleculeId","dataCollections"]},DataCollectionListView.prototype.formatData=function(a){a=BUI.groupBy(a,function(a){return[a.bufferAcronym]});for(var b=[],c=0;cAcronym:"+a.data.acronym+"",b=b+"name:"+a.data.name+"",b+""; +},MacromoleculeListView.prototype.getFilter=function(a){return[{property:"acronym",value:a,anyMacth:!0}]},MacromoleculeListView.prototype.getColumns=function(){var a=this;return[{text:"Macromolecule",flex:1,dataIndex:"macromoleculeId",renderer:function(b,c,d){return a.getRow(d)}}]},MacromoleculeListView.prototype.getFields=function(){return["acronym","name","comments"]},SessionSaxsListView.prototype.getPanel=ListView.prototype.getPanel,SessionSaxsListView.prototype.load=ListView.prototype.load,SessionSaxsListView.prototype.parseStatistics=function(a,b){if(b&&a)try{return a/b*100}catch(c){return 0}return 0},SessionSaxsListView.prototype.getRow=function(a){var b="";return a.data.measured=this.parseStatistics(a.data.measurementDoneCount,a.data.measurementCount),a.data.averaged=this.parseStatistics(a.data.measurementAveragedCount,a.data.measurementCount),a.data.subtracted=this.parseStatistics(a.data.dataCollectionDoneCount,a.data.dataCollectionCount),dust.render("sessionsaxslistview.template",a.data,function(a,c){b=c}),b},SessionSaxsListView.prototype.getFilter=function(a){return[{property:"name",value:a,anyMacth:!0}]},SessionSaxsListView.prototype.getColumns=function(){var a=this;return[{text:"Experiment",flex:1,dataIndex:"sessionId",renderer:function(b,c,d){return a.getRow(d)}}]},SessionSaxsListView.prototype.getFields=function(){return["creationDate","name","experimentType"]},StockSolutionListView.prototype.getPanel=ListView.prototype.getPanel,StockSolutionListView.prototype.load=ListView.prototype.load,StockSolutionListView.prototype.getFilter=ListView.prototype.getFilter,StockSolutionListView.prototype.getFields=ListView.prototype.getFields,StockSolutionListView.prototype.getColumns=ListView.prototype.getColumns,StockSolutionListView.prototype.getRow=function(a){var b="";return EXI.proposalManager.getBufferById(a.data.bufferId)&&(a.data.bufferAcronym=EXI.proposalManager.getBufferById(a.data.bufferId).acronym),EXI.proposalManager.getMacromoleculeById(a.data.macromoleculeId)&&(a.data.macromoleculeAcronym=EXI.proposalManager.getMacromoleculeById(a.data.macromoleculeId).acronym),dust.render("stocksolution.listview",a.data,function(a,c){b=c}),b},TemplateListView.prototype.getPanel=ListView.prototype.getPanel,TemplateListView.prototype.load=ListView.prototype.load,TemplateListView.prototype.getRow=function(a){var b="black",c="";return c=c+"",c=c+"",c=c+"",c+"
        "+a.data.name+"
        "+a.data.comments+"
        "+a.data.creationDate+"
        "},TemplateListView.prototype.getFilter=function(a){return[{property:"name",value:a,anyMatch:!0}]},TemplateListView.prototype.getColumns=function(){var a=this;return[{text:"Experiment",flex:1,dataIndex:"sessionId",renderer:function(b,c,d){return a.getRow(d)}}]},TemplateListView.prototype.getFields=function(){return[{name:"creationDate",type:"string"},{name:"name",type:"string"},{name:"experimentType",type:"string"}]},AbinitioMainView.prototype.getPanel=function(){return this.abinitioForm.getPanel()},AbinitioMainView.prototype.load=function(a){var b=this,c=function(a,c){if(c&&c[0].Subtraction_subtractionId){var d=function(a,c){b.abinitioForm.load(c)};EXI.getDataAdapter({onSuccess:d}).saxs.subtraction.getSubtractionsBySubtractionIdList([c[0].Subtraction_subtractionId])}};EXI.getDataAdapter({onSuccess:c}).saxs.dataCollection.getDataCollectionsById(a)},BufferMainView.prototype.getPanel=MainView.prototype.getPanel,BufferMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:15,border:1,defaults:{labelWidth:80,flex:1},items:[this.bufferForm.getPanel([])]})},BufferMainView.prototype.load=function(a){this.panel.setTitle("Buffer"),this.bufferForm.load(EXI.proposalManager.getBufferById(a))},BufferWelcomeMainView.prototype.getPanel=MainView.prototype.getPanel,BufferWelcomeMainView.prototype.getContainer=MainView.prototype.getContainer,BufferWelcomeMainView.prototype.getOptions=function(){var a="
        • Define beforehand an experiment
        • ";return a+="
        • Send your samples by courier
        • ",a+"
        "},BufferWelcomeMainView.prototype.getContainer=function(){return Ext.createWidget("panel",{plain:!0,margin:"20",layout:"fit",items:[{tabConfig:{title:"Welcome"},items:[{xtype:"container",layout:"fit",padding:10,margin:0,cls:"border-grid",items:[{html:'

        Buffers on ISPyB

        ',margin:"0 0 0 20"},{html:'
        A buffer is the matched solution which in a sample is suspended

        ',margin:"0 0 0 40"},{html:'
        You should define a macromolecule on ISPyB if you want:
        ',margin:"0 0 0 40"},{html:this.getOptions(),margin:"0 0 0 40"},{html:'
        If your macromolecule is not in the list showed on the left you can create a new one

        ',margin:"0 0 0 20"},{xtype:"container",layout:"hbox",cls:"option-bar-menu",items:[{xtype:"button",cls:"square-option",maxWidth:200,minWidth:200,margin:"0 0 0 150",height:100,text:'
        Add a new buffer
        ',icon:"../images/icon/add.png",iconAlign:"top",handler:function(){location.hash="/buffer/add"}}]}]}]}]})},BufferWelcomeMainView.prototype.load=function(){},DataCollectionMainView.prototype.getPanel=MainView.prototype.getPanel,DataCollectionMainView.prototype.getContainer=MainView.prototype.getContainer,DataCollectionMainView.prototype.filter=function(a,b){this.grid.key={},this.grid.filter("bufferAcronym",b)},DataCollectionMainView.prototype.load=function(a){var b=this;this.grid.onSelectionChange.attach(function(a,c){b.onSelectionChange.notify(c)}),this.grid.onSelect.attach(function(a,c){b.onSelect.notify(c)}),this.grid.onDeselect.attach(function(a,c){b.onDeselect.notify(c)}),this.container.insert(0,this.grid.getPanel()),this.grid.load(a)},DesignerMainView.prototype.getPanel=MainView.prototype.getPanel,DesignerMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:15,border:1,defaults:{labelWidth:80,flex:1},items:[this.wizardWidget.getPanel(new MeasurementCreatorStepWizardForm(EXI.proposalManager.getMacromolecules(),EXI.proposalManager.getBuffers()))]})},DesignerMainView.prototype.load=function(a){this.panel.setTitle("Experiment Designer")},ExperimentDesignerMainView.prototype.getPanel=MainView.prototype.getPanel,ExperimentDesignerMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:30,bodyStyle:{"background-color":"#E6E6E6"},border:1,style:{borderColor:"#000000",borderStyle:"solid",borderWidth:"1px"},defaults:{labelWidth:80,xtype:"datefield",flex:1},items:[this.templateGrid.getPanel([])]})},ExperimentDesignerMainView.prototype.load=function(){var a=this;this.panel.setLoading();var b=new ProposalUpdater;this.templateGrid.grid.setLoading(),b.onSuccess.attach(function(b,c){a.panel.setLoading(!1);var d=new DataAdapter;d.onSuccess.attach(function(b,c){a.templateGrid.store.loadData(c),a.templateGrid.grid.setLoading(!1)}),d.getByExperimentByKey("experimentType","TEMPLATE")}),b.get(),this.panel.setTitle("Experiment Designer")},ExperimentMainView.prototype.getToolBar=function(){function a(a){b.activePanel!=a&&(b.activePanel=a,b.load(b.dataCollections))}var b=this,c=Ext.create("Ext.menu.Menu",{items:[{text:"Online Data Analysis",handler:function(){a(b.queueGrid)}},,{text:"Measurements",handler:function(){a(b.measurementGrid)}},{text:"Sample Plate Setup",handler:function(){a(b.specimenWidget)}}]});return Ext.create("Ext.toolbar.Toolbar",{width:500,items:[{text:"View",iconCls:"bmenu",menu:c}]})},ExperimentMainView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{margin:10,layout:"fit",height:600,tbar:this.getToolBar(),items:[]}),this.panel},ExperimentMainView.prototype.load=function(a){this.dataCollections=a,this.panel.removeAll(),this.panel.insert(this.activePanel.getPanel()),this.activePanel.load(a)},ExperimentWelcomeMainView.prototype.getPanel=MainView.prototype.getPanel,ExperimentWelcomeMainView.prototype.getContainer=MainView.prototype.getContainer,ExperimentWelcomeMainView.prototype.getContainer=function(){return Ext.createWidget("panel",{plain:!0,margin:"10",layout:"fit",items:[{tabConfig:{title:"Welcome"},items:[{xtype:"container",layout:"fit",padding:20,margin:0,cls:"border-grid",items:[{html:'

        Designing your experiment on ISPyB

        '},{html:'
        A experiment is a set of measurements of samples.

        ',margin:"0 0 0 20"},{xtype:"container",layout:"hbox",cls:"option-bar-menu",items:[{xtype:"button",cls:"square-option",maxWidth:200,minWidth:200,margin:"0 0 0 150",height:100,text:'
        Create a new Experiment
        ',icon:"../images/icon/add.png",iconAlign:"top",handler:function(){location.hash="/prepare/designer"}}]}]}]}]})},ExperimentWelcomeMainView.prototype.load=function(){},HPLCMainView.prototype.getPanel=MainView.prototype.getPanel,HPLCMainView.prototype.getHeader=function(a,b){return""+a+""+b+""},HPLCMainView.prototype.getPlotContainer=function(){return{xtype:"container",cls:"defaultGridPanel",layout:"hbox",border:1,defaults:{height:400},items:[this.hplcGraph.getPanel(),this.plotter.getPanel()]}},HPLCMainView.prototype.getSecondaryContainer=function(){return{xtype:"container",cls:"defaultGridPanel",layout:"hbox",border:0,defaults:{height:400},items:[{html:'',margin:10,flex:1},{html:'
        ',margin:10,flex:1}]}},HPLCMainView.prototype.getContainer=function(){return{xtype:"container",margin:10,items:[{html:'
        ',margin:10,height:160},{html:'
        Data Collection
        ',margin:10,height:40},this.grid.getPanel(),{html:'
        Size-exclusion chromatography
        ',margin:10,height:40},this.getPlotContainer(),this.getSecondaryContainer()]}},HPLCMainView.prototype.getSelected=function(){for(var a=[],b=0;b"+a+""+b+""},MacromoleculeMainView.prototype.getSelected=function(){for(var a=[],b=0;b"},MacromoleculeWelcomeMainView.prototype.getContainer=function(){return Ext.createWidget("panel",{plain:!0,margin:"10",layout:"fit",items:[{tabConfig:{title:"Welcome"},items:[{xtype:"container",layout:"fit",padding:20,margin:0,cls:"border-grid",items:[{html:'

        Macromolecules on ISPyB

        '},{html:'
        A macromolecule is a biological contruct for investigation.

        ',margin:"0 0 0 20"},{html:'
        You should define a macromolecule on ISPyB if you want:
        ',margin:"0 0 0 20"},{html:this.getOptions(),margin:"0 0 0 40"},{html:'
        If your macromolecule is not in the list showed on the left you can create a new one

        ',margin:"0 0 0 20"},{xtype:"container",layout:"hbox",cls:"option-bar-menu",items:[{xtype:"button",cls:"square-option",maxWidth:200,minWidth:200,margin:"0 0 0 150",height:100,text:'
        Add a new macromolecule
        ',icon:"../images/icon/add.png",iconAlign:"top",handler:function(){location.hash="/macromolecule/add"}}]}]}]}]})},MacromoleculeWelcomeMainView.prototype.load=function(){},MergeMainView.prototype.getPanel=MainView.prototype.getPanel,MergeMainView.prototype.getContainer=MainView.prototype.getContainer,MergeMainView.prototype.populateForm=function(a,b){for(var c=0;c'+b+"",margin:"10 0 0 10"},{xtype:"sliderfield",margin:"10 0 0 2",hideLabel:!0,width:275,minValue:0,subtractionId:a,id:"slider"+a,maxValue:f,increment:1,values:[0,f],listeners:{changecomplete:function(a,b,c,d){for(var e=a.getValues(),f=0;f",width:30,margin:"2 0 0 5",subtractionId:a,handler:function(a){var b="slider"+a.subtractionId;Ext.getCmp(b).setValue(1,Ext.getCmp(b).getValues()[1]+1);for(var c=Ext.getCmp(b).getValues(),d=0;d"},StockSolutionWelcomeMainView.prototype.getContainer=function(){return Ext.createWidget("panel",{plain:!0,margin:"20",layout:"fit",items:[{tabConfig:{title:"Welcome"},items:[{xtype:"container",layout:"fit",padding:10,margin:0,cls:"border-grid",items:[{html:'

        Stock Solutions on ISPyB

        ',margin:"0 0 0 20"},{html:'
        A buffer is the matched solution which in a sample is suspended

        ',margin:"0 0 0 40"},{html:'
        You should define a macromolecule on ISPyB if you want:
        ',margin:"0 0 0 40"},{html:this.getOptions(),margin:"0 0 0 40"},{html:'
        If your macromolecule is not in the list showed on the left you can create a new one

        ',margin:"0 0 0 20"},{xtype:"container",layout:"hbox",cls:"option-bar-menu",items:[{xtype:"button",cls:"square-option",maxWidth:200,minWidth:200,margin:"0 0 0 150",height:100,text:'
        Add a new Stock Solution
        ',icon:"../images/icon/add.png",iconAlign:"top",handler:function(){location.hash="/stocksolution/add"}}]}]}]}]})},StockSolutionWelcomeMainView.prototype.load=function(){},TemplateMainView.prototype.getPanel=MainView.prototype.getPanel,TemplateMainView.prototype.getHeader=function(a,b){return""+a+""+b+""},TemplateMainView.prototype.getSelected=function(){for(var a=[],b=0;b
        ',autoScroll:!0,padding:this.padding}},AbinitioForm.prototype.getPanel=function(){return this.abinitioGrid.getPanel()},AbinitioForm.prototype.load=function(a){this.subtractions=a,this.abinitioGrid.refresh(a)},AbinitioGrid.prototype.refresh=function(a){$("#"+this.id).html(this.doTemplate(this._prepareData(a)))},AbinitioGrid.prototype._prepareData=function(a){for(var b=[],c=0;c'+a+"",autoScroll:!0,border:1,padding:0,height:this.height}]},AprioriRigidBodyGrid.prototype._getColumns=function(){},AprioriRigidBodyGrid.prototype._getTopButtons=function(){var a=this,b=[];return b.push(Ext.create("Ext.Action",{icon:"../images/add.png",text:"Add",disabled:!1,handler:function(b,c){a.onAddButtonClicked.notify()}})),b},AprioriRigidBodyGrid.prototype.load=function(a){this.macromolecule=a,null!=a&&this.pdbStore.loadData(a.structure3VOs)},AprioriRigidBodyGrid.prototype._prepareData=function(){for(var a=[],b=0;bSure?",buttons:Ext.MessageBox.YESNO,icon:Ext.MessageBox.QUESTION})}}]}],listeners:{beforeedit:function(a,b,c){return"actioncolumn"!=b.column.xtype}}}),this.panel},AssemblyForm.prototype._getItems=function(){return[{xtype:"label",forId:"myFieldId",text:"List of previously defined macromolecules present in the assembly. This information will be used for additional cross-checks where possible",margin:"15 0 20 10",cls:"inline-help"},this.molarityGrid.getPanel()]},AssemblyForm.prototype._getButtons=function(){return[]},AssemblyForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.form.Panel",{width:this.width,height:this.height,margin:10,border:0,defaultType:"textfield",items:this._getItems(),buttons:this._getButtons()}),this.panel},AssemblyForm.prototype.refresh=function(a){this.macromolecule=a,this.molarityGrid.refresh(a)},AssemblyForm.prototype.input=function(){return{}},AssemblyForm.prototype.test=function(a){var b=new AssemblyForm,c=b.getPanel(); +c.render(a)},BufferForm.prototype.getBuffer=function(){return null==this.buffer&&(this.buffer={}),this.buffer.name=Ext.getCmp(this.id+"buffer_name").getValue(),this.buffer.acronym=Ext.getCmp(this.id+"buffer_acronym").getValue(),this.buffer.comments=Ext.getCmp(this.id+"buffer_comments").getValue(),this.buffer.ph=Ext.getCmp(this.id+"buffer_ph").getValue(),this.buffer.composition=Ext.getCmp(this.id+"buffer_composition").getValue(),this.buffer.proposalId=Ext.getCmp(this.id+"proposalIdCombo").getValue(),this.buffer},BufferForm.prototype.load=function(a){this.buffer=a,null!=a&&(Ext.getCmp(this.id+"buffer_name").setValue(this.buffer.name),Ext.getCmp(this.id+"buffer_acronym").setValue(this.buffer.acronym),Ext.getCmp(this.id+"buffer_comments").setValue(this.buffer.comments),Ext.getCmp(this.id+"buffer_ph").setValue(this.buffer.ph),Ext.getCmp(this.id+"buffer_composition").setValue(this.buffer.composition)),null!=this.buffer&&null!=this.buffer.proposalId&&(Ext.getCmp(this.id+"proposalIdCombo").setValue(this.buffer.proposalId),Ext.getCmp(this.id+"proposalIdCombo").disable())},BufferForm.prototype._getTopPanel=function(){return{xtype:"container",layout:"hbox",border:0,margin:"40 0 0 0",frame:!0,items:[{xtype:"container",layout:"hbox",items:[{xtype:"container",flex:1,border:!1,layout:"anchor",items:[{xtype:"requiredtextfield",id:this.id+"buffer_name",fieldLabel:"Name",name:"name",width:300},{xtype:"requiredtextfield",id:this.id+"buffer_acronym",fieldLabel:"Acronym",maskRe:/[a-zA-Z0-9]+/,name:"acronym",width:300}]}]},{xtype:"container",flex:1,layout:"anchor",defaultType:"textfield",margin:"0 0 0 10",items:[{id:this.id+"buffer_ph",fieldLabel:"pH",name:"ph",xtype:"numberfield",width:300,minValue:0,maxValue:15},{fieldLabel:"Composition",id:this.id+"buffer_composition",name:"composition",width:300}]}]}},BufferForm.prototype.getToolBar=function(){var a=this;return[{text:"Save",width:100,handler:function(){a.panel.setLoading();var b=function(b){a.panel.setLoading(!1),EXI.getDataAdapter().proposal.proposal.update()};EXI.getDataAdapter({onSuccess:b}).saxs.buffer.saveBuffer(a.getBuffer())}}]},BufferForm.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{layout:"vbox",buttons:this.getToolBar(),cls:"border-grid",items:[{xtype:"container",margin:"10 0 0 20",layout:"vbox",items:[BIOSAXS_COMBOMANAGER.getComboProposal({id:a.id+"proposalIdCombo",labelWidth:100}),this._getTopPanel(),{id:this.id+"buffer_comments",xtype:"textareafield",name:"comments",fieldLabel:"Comments",width:600,height:80}]}]}),this.panel},BufferGrid.prototype._edit=function(a){function b(){return[{text:"Save",handler:function(){var a=function(a){var b=function(a,b){c.window.close(),c.onUpdated.notify(),c.panel.setLoading(!1)};c.panel.setLoading("Updading proposal information"),EXI.getDataAdapter({onSuccess:b}).proposal.proposal.update()};return""==c.bufferForm.getBuffer().name?void BUI.showWarning("Name field is mandatory"):""==c.bufferForm.getBuffer().acronym?void BUI.showWarning("Acronym field is mandatory"):""==c.bufferForm.getBuffer().proposalId||null==c.bufferForm.getBuffer().proposalId?void BUI.showWarning("Proposal field is mandatory"):void EXI.getDataAdapter({onSuccess:a}).saxs.buffer.saveBuffer(c.bufferForm.getBuffer())}},{text:"Cancel",handler:function(){c.window.close()}}]}var c=this;this.bufferForm=new BufferForm({height:400,width:700}),this.window=Ext.create("Ext.window.Window",{title:"Edit buffer",layout:"fit",items:this.bufferForm.getPanel(),buttons:b()}).show(),this.bufferForm.load(this.getBufferById(a))},BufferGrid.prototype.getBufferById=function(a){for(var b=0;b",b+="",b+=a[c].key,b+="",b+="",b+=a[c].value,b+="",b+="";return b+""},CaseGrid.prototype._getHTMLButton=function(a,b){return''},CaseGrid.prototype._getUnpackStockSolutionButton=function(a,b){return''},CaseGrid.prototype._getRemoveContainerButton=function(a,b){return''},CaseGrid.prototype._getEditPuckButton=function(a,b,c){return''},CaseGrid.prototype._getPrintParcelButton=function(a,b){return''},CaseGrid.prototype._getEditParcelButton=function(a,b){return''},CaseGrid.prototype._getRemoveParcelButton=function(a,b){return''},CaseGrid.prototype._getComponentRowHTML=function(a,b,c,d,e){var f="";return f+="",f+="",f+=this._getEditPuckButton(b,Number(e),"Edit"),f+="",f+="",f+=b,f+="",f+="",f+=c,f+="",f+="",f+=d,f+="","Stock Solution"==b&&(f+="",f+=this._getUnpackStockSolutionButton(Number(e),"Unpack"),f+=""),"Puck"==b&&(f+="",f+=this._getRemoveContainerButton(Number(e),"Remove"),f+=""),f+=""},CaseGrid.prototype._getComponentHTML=function(a,b){var c="";if(b.length>0){c="";for(var d=0;d"}else c+="

        This parcel is empty";return 0==b.length&&(c=this._getHTMLButton(a,"Add Solution")+this._getHTMLButton(a,"Add Puck")+c),b.length>0&&(c="Puck"==b[0].type?this._getHTMLButton(a,"Add Puck")+c:this._getHTMLButton(a,"Add Solution")+c),'
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        '+c+"
        "},CaseGrid.prototype._getParcelHTML=function(a){var b="
        TypeCodeCapacity
        ",c=a.Dewar_storageLocation,d=a.Dewar_code,e=a.Dewar_status,f=a.Dewar_comments;return null==d&&(d="Not set"),null==e&&(e="Unknown"),null==c&&(c="Not set"),null==f&&(f=""),b=b+"
        CodeStatusStore LocationComments
        "+d+""+e+""+c+""+f+"
        ",b=this._getEditParcelButton(a.Dewar_dewarId,"Edit")+this._getPrintParcelButton(a.Dewar_dewarId,"Print Labels")+this._getRemoveParcelButton(a.Dewar_dewarId,"Remove")+b,'
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        '+b+"
        "},CaseGrid.prototype._getColumns=function(){var a=this,b=[{header:"General",dataIndex:"type",name:"type",type:"string",flex:.5,renderer:function(b,c,d){var e=JSON.parse(d.data.serialized);return a._getParcelHTML(e[0])}},{header:"Content",dataIndex:"Dewar_comments",name:"type",type:"string",flex:.5,renderer:function(b,c,d){var e=JSON.parse(d.data.serialized),f=e[0].Dewar_dewarId,g=[];if(null!=e&&e.length>0)for(var h=0;h0&&EXI.getDataAdapter({onSuccess:b}).proposal.shipping.getDewarsByShipmentId(a.shippingId)},CaseGrid.prototype.edit=function(a){var b=this,c=new CaseForm,d=Ext.create("Ext.window.Window",{title:"Parcel",height:360,width:600,modal:!0,layout:"fit",items:[c.getPanel(a)],buttons:[{text:"Save",handler:function(){new DataAdapter;b.panel.setLoading();var a=c.getDewar(),e=function(a,c){b.load(c),d.close(),b.panel.setLoading(!1)};a.sessionId=a.firstExperimentId,a.shippingId=b.shipment.shippingId,EXI.getDataAdapter({onSuccess:e}).proposal.dewar.saveDewar(b.shipment.shippingId,a)}},{text:"Cancel",handler:function(){d.close()}}]});d.show()},CaseGrid.prototype._getStoreFields=function(){return[{name:"serialized",type:"string"}]},CaseGrid.prototype.getDewarById=function(a){for(var b=this,c=0;cAre you sure you want to continue?",buttons:Ext.MessageBox.YESNOCANCEL,fn:j,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})}}}},selModel:{mode:"SINGLE"}}),this.panel.addDocked({height:45,xtype:"toolbar",items:a._getTopButtons(),cls:"exi-top-bar"}),this.panel},DataReductionForm.prototype._parseSelectedItemsToIds=function(a){var b=[];if(null!=a)for(var c=0;c"+a+"";return{xtype:"container",layout:"vbox",items:[{html:c,margin:"5 0 0 0",height:95,width:100},{xtype:"label",forId:"myFieldId",text:b,margin:"5 0 0 0",cls:"inline-help"}]}},DataReductionForm.prototype._getItems=function(){return[{xtype:"container",layout:"hbox",items:[this._getFramesPanel(),this.plotWidget.getPanel(),{xtype:"panel",width:110,frame:!0,margin:"10 5 5 5",border:0,layout:"vbox",items:[this._getImageContainer("scattering","Scattering"),this._getImageContainer("guinier","Guinier Region"),this._getImageContainer("kratky","Kratky Plot"),this._getImageContainer("gnom","P(r) distribution")]}]}]},DataReductionForm.prototype._getButtons=function(){return[]},DataReductionForm.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.form.Panel",{width:this.width,height:this.height,border:0,items:this._getItems(),buttons:this._getButtons(),listeners:{afterrender:function(){a._populate()}}}),this.panel},DataReductionForm.prototype._populate=function(){},DataReductionForm.prototype.refresh=function(a){if(null!=a)for(var b=0;b"},DataReductionForm.prototype.input=function(){return{}},DataReductionForm.prototype.test=function(a){var b=new DataReductionForm,c=b.getPanel();c.render(a)},ExperimentGrid.prototype._getFilterTypes=function(){return[]},ExperimentGrid.prototype._prepareData=function(a){var b=[],c=0;a.sort(function(a,b){return b.experimentId-a.experimentId});for(var d=0;d',margin:"5 5 5 5"}]}).show(),e=new CalendarWidget({height:450}),f=a.limit;a.limit=null,a.sessionIdFilter=null,e.loadData(a._prepareData(a.experiments)),a.limit=f,e.draw("calendar"),e.onClick.attach(function(b,c){c=moment(c,"YYYY-MM-DD"),a._filterByDate(c),d.close()})}})),this.storeDate=Ext.create("Ext.data.ArrayStore",{fields:["date","value"],data:[]}),this.dateMenu=Ext.create("Ext.form.field.ComboBox",{hideLabel:!0,store:this.storeDate,displayField:"date",typeAhead:!0,queryMode:"local",margin:"0 0 0 30",triggerAction:"all",emptyText:"Select a date...",selectOnFocus:!0,width:135,listeners:{scope:this,select:function(b,c,d){a.limit=null,a._filterByDate(moment(c[0].raw.value,"YYYY-MM-DD"))}}}),b.push(this.dateMenu),b.push("->"),null!=a.filtered?b.push({html:"Experiment Type: "+a.filtered+""}):b.push({html:"Experiment Type: ALL"}),b},ExperimentGrid.prototype._filterByDate=function(a){for(var b=[],c=0;c{name:this.formatName}",{formatName:function(b){return a.dates[b]}}),hideGroupedHeader:!0,startCollapsed:!1});this.features=[],this.grouping&&this.features.push(b),this.grid=Ext.create(this.gridType,{hideHeaders:this.hideHeaders,resizable:!0,title:this.title,width:this.width,minHeight:this.minHeight,height:this.height,features:this.features,store:this.store,columns:this._getColumns(),selModel:{mode:"SINGLE"},viewConfig:{stripeRows:!0,getRowClass:function(a,b,c,d){return"TEMPLATE"==a.raw.type?"template-color-row":"CALIBRATION"==a.raw.type&&"FINISHED"==a.raw.status?"blue-row":void 0},listeners:{itemdblclick:function(b,c,d,e){a._editExperiment(c.raw.experimentId)},cellclick:function(b,c,d,e,f,g,h,i){b.getGridColumns()[d].getId()==a.id+"GO"&&a._editExperiment(e.raw.experimentId),b.getGridColumns()[d].getId()==a.id+"REMOVE"&&a._removeExperimentById(e.raw.experimentId)}}}});var c=a._getTopButtons();return this.tbar&&(this.grid.addDocked({xtype:"toolbar",height:48,items:c}),this.grid.getSelectionModel().on({selectionchange:function(a,b){if(b.length)for(var d=0;d"+a+"":a}},{text:"Macromolecules",name:"macromolecules_names",dataIndex:"macromolecules_names",flex:1,renderer:function(a){return null!=a?" "+a+"":" Information not available"}},{text:"Buffers",dataIndex:"buffer_names",name:"buffer_names",flex:1,hidden:!0,renderer:function(a){return"Buffer/s: "+a+""}},{text:"Status",dataIndex:"status",name:"status",type:"string",flex:1,renderer:function(a,b,c){return"TEMPLATE"==c.raw.type?"READY":"ABORTED"==c.raw.status?""+a+"":""+a+""}},{text:"Download",dataIndex:"creationDate",name:"creationDate",renderer:function(a,b,c){if(null!=c){if("HPLC"==c.raw.type)return;return BUI.getZipHTMLByExperimentId(c.raw.experimentId,c.raw.name)}},width:100},{header:"Measurements",dataIndex:"percentageCollected",name:"percentageCollected",type:"string",renderer:function(a,b,c){return"TEMPLATE"!=c.raw.type&&"HPLC"!=c.raw.type?"
        "+BUI.getProgessBar(c.raw.percentageCollected.value,c.raw.percentageCollected.text)+"
        ":void 0},width:100},{header:"Averaged",dataIndex:"percentageMerged",name:"percentageMerged",type:"string",renderer:function(a,b,c){return"TEMPLATE"!=c.raw.type&&"HPLC"!=c.raw.type?"
        "+BUI.getProgessBar(c.raw.percentageMerged.value,c.raw.percentageMerged.text)+"
        ":void 0},width:100},{header:"Subtractions",dataIndex:"percentageAnalysed",name:"percentageAnalysed",type:"string",renderer:function(a,b,c){return"TEMPLATE"!=c.raw.type&&"HPLC"!=c.raw.type?"
        "+BUI.getProgessBar(c.raw.percentageAnalysed.value,c.raw.percentageAnalysed.text)+"
        ":void 0},width:100},{text:"time",dataIndex:"time",name:"time",hidden:!0,renderer:function(a){return a},width:100},{text:"Date",dataIndex:"date",name:"date",renderer:function(a){return a},width:100},{text:"Time",dataIndex:"creationDate",name:"creationDate",renderer:function(a){return moment(a).format(" HH:mm:ss")},width:100},{id:a.id+"GO",width:80,sortable:!1,renderer:function(a,b,c,d,e,f){return BUI.getGreenButton("GO")}}]},ExperimentGrid.prototype._editExperiment=function(a){null!=Ext.urlDecode(window.location.href).sessionId?location.href="viewProjectList.do?reqCode=display&experimentId="+a+"&sessionId="+Ext.urlDecode(window.location.href).sessionId:location.href="viewProjectList.do?reqCode=display&experimentId="+a},ExperimentGrid.prototype.input=function(){var a=DATADOC.getExperimentList_10();return{experiments:a,proposal:(new MeasurementGrid).input().proposal}},ExperimentGrid.prototype.test=function(a){var b=new ExperimentGrid({height:350,minHeight:350,width:1e3});BIOSAXS.proposal=new Proposal(b.input().proposal);var c=b.getPanel(b.input().experiments);b.refresh(b.input().experiments),c.render(a)},ExperimentHeaderForm.prototype.load=function(a){this.experiment=a,Ext.getCmp(this.id+"name").setValue(a.name),document.getElementById(this.id+"date").innerHTML="Created on "+a.creationDate,Ext.getCmp(this.id+"comments").setValue(a.json.comments)},ExperimentHeaderForm.prototype.getToolBar=function(){var a=this;return[{text:"Save",width:100,handler:function(){a.panel.setLoading();var b=function(b){a.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:b}).saxs.experiment.saveExperiment(a.experiment.experimentId,Ext.getCmp(a.id+"name").getValue(),Ext.getCmp(a.id+"comments").getValue())}},"->",Ext.create("Ext.button.Split",{text:"Download",menu:new Ext.menu.Menu({items:[{text:"For BsxCube on bm29",handler:function(){window.open(EXI.getDataAdapter().saxs.template.getTemplateSourceFile(a.experiment.experimentId,"bsxcube"))}},{text:"For Becquerel on p12",handler:function(){window.open(EXI.getDataAdapter().saxs.template.getTemplateSourceFile(a.experiment.experimentId,"becquerel"))}}]})})]},ExperimentHeaderForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:"vbox",buttons:this.getToolBar(),cls:"border-grid",items:[{xtype:"container",margin:"10 0 0 20",layout:"hbox",items:[{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"Name",id:this.id+"name"},{margin:"0 0 0 100",html:"
        "}]},{xtype:"textarea",fieldLabel:"Comments",margin:"0 0 10 20",width:600,height:80,id:this.id+"comments"}]}]}),this.panel},FramesGrid.prototype.getPanel=function(){return{html:'
        ',autoScroll:!0}},FramesGrid.prototype.load=function(a){if(a){this.frames=a,this.frames.id=this.id;var b="";dust.render("frames.grid.template",a,function(a,c){b+=c}),$("#"+this.id).html(b),this.setClickListeners()}else $("#"+this.id).html("

        No frames found

        ")},FramesGrid.prototype.setClickListeners=function(){var a=this;$("#"+this.id+"-frames-table").unbind("click").on("click",".frame-cell-element",function(b){var c=b.target.id;if(b.shiftKey&&a.selectedFrames.length>0){var d=a.selectedFrames[a.selectedFrames.length-1].domId;if(d!=c){var e=a.frames.indexOf(a.getFrameByDomId(d)),f=a.frames.indexOf(a.getFrameByDomId(c)),g=Math.min(e,f),h=Math.max(e,f);a.deselectAll();for(var i=g;h>=i;i++)a.select(a.frames[i].domId)}}else b.ctrlKey?a.selectedFrames.indexOf(a.getFrameByDomId(c))>=0?a.deselect(c):a.select(c):1==a.selectedFrames.length&&a.selectedFrames[0].domId==c?a.deselect(c):(a.deselectAll(),a.select(c));a.onSelectionChange.notify(a.parseSelected())})},FramesGrid.prototype.select=function(a){this.selectedFrames.push(this.getFrameByDomId(a)),$("#"+a).addClass("x-grid-item-selected")},FramesGrid.prototype.deselect=function(a){_.remove(this.selectedFrames,function(b){return b.domId==a}),$("#"+a).removeClass("x-grid-item-selected")},FramesGrid.prototype.deselectAll=function(){this.selectedFrames=[],$(".frame-cell-element").removeClass("x-grid-item-selected")},FramesGrid.prototype.getFrameByDomId=function(a){return _.filter(this.frames,function(b){return b.domId==a})[0]},FramesGrid.prototype.parseSelected=function(){for(var a={average:[],bufferaverage:[],frame:[],sampleaverage:[],subtracted:[]},b=0;b"+BUI.getRectangleColorDIV(this.hplcData[d].color,10,10)+" "+this.hplcData[d].label+"",id:b.id+e,param:e,enableToggle:!0,scope:this,toggleHandler:a,pressed:null!=b.plots[e]})}return c.push("-"),c.push({text:"Scale",enableToggle:!0,scope:this,pressed:this.scaled,icon:"../images/icon_graph.png",toggleHandler:function(a,c){b.scaled=c,b.reloadData(this.hplcData)}}),c.push("->"),c.push({text:"Save",scope:this,icon:"images/icon/ic_get_app_black_24dp.png",handler:function(a,b){var c=document.createElement("img");c.style.display="block",c.style.width="200px",c.style.height="200px",c.setAttribute("src",Dygraph.Export.asCanvas(this.dygraphObject.dygraph).toDataURL()),window.open(Dygraph.Export.asCanvas(this.dygraphObject.dygraph).toDataURL(),"Image","")}}),c},HPLCGraph.prototype.scaledData=function(a){for(var b=0;bb&&(b=Number(a.data[d])),Number(a.std[d])>b&&(b=Number(a.std[d])),Number(a.data[d])a&&(a=0),0>b&&(b=0),a>b){var d=b;b=a,a=d}c.dygraphObject.dygraph.updateOptions({isZoomedIgnoreProgrammaticZoom:!0,dateWindow:[a,b]})}},{xtype:"button",text:"Download Range",icon:"../images/icon/ic_get_app_black_24dp.png",handler:function(){var a=parseFloat(Ext.getCmp("main_field_start").getValue()),b=parseFloat(Ext.getCmp("main_field_end").getValue());if(0>a&&(a=0),0>b&&(b=0),a>b){var d=b;b=a,a=d}location.href=EXI.getDataAdapter().saxs.hplc.getDownloadHDF5FramesURL(c.experimentId,a,b)}},"->",{xtype:"button",text:"Clear Selection",handler:function(){c.onClearSelection.notify()}}]})},HPLCGraph.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{margin:this.plotPanelPadding,flex:1,items:[{html:"",id:this.id,height:this.height}]}),this.panel.on("afterrender",function(a){document.getElementById(this.id).setAttribute("style","border: 1px solid #000000; height:"+(a.getHeight()-1)+"px;width:"+(a.getWidth()-50)+"px;")}),this.panel},HPLCGraph.prototype.getDataByFrameNumber=function(a){var b={};b.frameNumber=a;for(var c in this.hplcData)b[this.hplcData[c].label]=this.hplcData[c].data[a];return b},MergesHPLCGraph.prototype.scaledData=HPLCGraph.prototype.scaledData,MergesHPLCGraph.prototype.divideValuesByMax=HPLCGraph.prototype.divideValuesByMax,MergesHPLCGraph.prototype.getMaxAndMinValue=HPLCGraph.prototype.getMaxAndMinValue,MergesHPLCGraph.prototype.getPoint=HPLCGraph.prototype.getPoint,MergesHPLCGraph.prototype.reloadData=HPLCGraph.prototype.reloadData,MergesHPLCGraph.prototype._renderDygraph=HPLCGraph.prototype._renderDygraph,MergesHPLCGraph.prototype.loadData=HPLCGraph.prototype.loadData,MergesHPLCGraph.prototype.getPanel=HPLCGraph.prototype.getPanel,MergesHPLCGraph.prototype.getDataByFrameNumber=HPLCGraph.prototype.getDataByFrameNumber,MergesHPLCGraph.prototype.setPeaks=function(a){this.peaks=a,this.peakKeys=[],this.colorPeak={};var b=1;for(var c in this.peaks)if(this.peaks.hasOwnProperty(c)){var d=this.peakColors[b%this.peakColors.length];b+=1,this.peakKeys.push(c),this.colorPeak[c]=d}this.peakKeys.sort()},MergesHPLCGraph.prototype.getMenu=function(){function a(a,c){c?b.plots[a.param]=!0:delete b.plots[a.param],b.reloadData(b.hplcData)}var b=this,c=[];if(null!=this.peaks){for(var d=[],e=0;ePeak #"+e+" "+this.peakKeys[e].replace("- "," to #").replace(".0","").replace(".0","")+"",peakid:this.peakKeys[e],checked:!1,checkHandler:function(b,c){var d=new Object;d.param=b.peakid,a(d,c)}})}var g=Ext.create("Ext.menu.Menu",{id:"mainMenu",style:{overflow:"visible"},items:d}),h=Ext.create("Ext.toolbar.Toolbar");h.add({text:"Peaks Avg.",menu:g}),c.push(h)}for(var e=0;e"+BUI.getRectangleColorDIV(this.hplcData[e].color,10,10)+" "+this.hplcData[e].label+"",id:b.id+i,param:i,enableToggle:!0,scope:this,margin:5,toggleHandler:a,pressed:null!=b.plots[i]})}return c.push("->"),c.push({text:"Save",scope:this,icon:"../images/icon/ic_get_app_black_24dp.png",handler:function(a,b){var c=document.createElement("img");c.style.display="block",c.style.width="200px",c.style.height="200px",c.setAttribute("src",Dygraph.Export.asCanvas(this.dygraphObject.dygraph).toDataURL()),window.open(Dygraph.Export.asCanvas(this.dygraphObject.dygraph).toDataURL(),"Image","")}}),c},MacromoleculeForm.prototype._getFieldTextWithHelp=function(a,b,c,d){return Ext.create("Ext.container.Container",{items:[{xtype:a,fieldLabel:b,name:c,id:this.id+c},{xtype:"label",forId:"myFieldId",text:d,margin:"5 0 0 105",cls:"inline-help"}]})},MacromoleculeForm.prototype._getNumericWithHelp=function(a,b,c,d){return Ext.create("Ext.container.Container",{margin:"0 0 0 10",items:[{xtype:a,fieldLabel:b,name:c,id:this.id+c,decimalPrecision:6,width:220},{xtype:"label",forId:"myFieldId",text:d,margin:"5 0 0 10",cls:"inline-help"}]})},MacromoleculeForm.prototype._getButtons=function(){var a=this;return[{text:"Save",handler:function(){a._save()}}]},MacromoleculeForm.prototype._persist=function(a,b,c,d,e,f,g,h){var i=Ext.getCmp("proposalIdCombo").getValue();if(null==i)return void BUI.showError("Please select a proposal");if(null==a&&null!=EXI.proposalManager.getMacromoleculeByAcronym(b))return void BUI.showError("Duplicated acronym");null==a?(this.macromolecule={},this.macromolecule.macromoleculeId=null):this.macromolecule.macromoleculeId=a,this.macromolecule.acronym=b,this.macromolecule.name=c,this.macromolecule.molecularMass=d,this.macromolecule.extintionCoefficient=e,this.macromolecule.comments=f,this.macromolecule.symmetry=Ext.getCmp(this.id+"comboSym").getValue(),this.macromolecule.refractiveIndex=g,this.macromolecule.solventViscosity=h,this.macromolecule.proposalId=i;var j=this,k=function(a,b){var c=function(a,b){j.panel.setLoading(!1),j.onSave.notify(),j.onClose.notify()};j.panel.setLoading("Updading proposal information"),EXI.getDataAdapter({onSuccess:c}).proposal.proposal.update()};this.panel.setLoading("Saving Macromolecule"),EXI.getDataAdapter({onSuccess:k}).saxs.macromolecule.saveMacromolecule(this.macromolecule)},MacromoleculeForm.prototype._save=function(){var a=this._getField("acronym"),b=this._getField("name"),c=this._getField("molecularMass"),d=this._getField("extintionCoefficient"),e=this._getField("comments"),f=this._getField("refractiveIndex"),g=this._getField("solventViscosity");return""==b?void BUI.showError("Name field is mandatory"):""==a?void BUI.showError("Acroynm field is mandatory"):void(null!=this.macromolecule?null==this.macromolecule.macromoleculeId?this._persist(null,a,b,c,d,e,f,g):this._persist(this.macromolecule.macromoleculeId,a,b,c,d,e,f,g):this._persist(null,a,b,c,d,e,f,g))},MacromoleculeForm.prototype._getItems=function(){var a=Ext.create("Ext.data.Store",{fields:["s"],data:this._getSymmetries()});return this.symmetryComboBox=Ext.create("Ext.form.ComboBox",{fieldLabel:"Symmetry",store:a,id:this.id+"comboSym",queryMode:"local",displayField:"s",valueField:"s",value:"P1",margin:"0 0 0 30",width:220}),[BIOSAXS_COMBOMANAGER.getComboProposal({labelWidth:100}),this._getFieldTextWithHelp("requiredtextfield","Name","name","Long name. i.e: Bovine serum albumin"),this._getFieldTextWithHelp("requiredtextfield","Acronym","acronym","Acronym will be used in the files and analisys. i.e: BSA"),this._getFieldTextWithHelp("textfield","Mol. Mass (Da)","molecularMass","Atomic mass estimation measured in Da"),{xtype:"container",layout:"hbox",margin:"10 0 0 0",items:[this._getNumericWithHelp("numberfield","Extinction coef.","extintionCoefficient",""),this.symmetryComboBox]},{xtype:"container",layout:"hbox",margin:"5 0 0 0",items:[this._getNumericWithHelp("numberfield","Refractive Index","refractiveIndex","How radiation propagates through the medium"),this._getNumericWithHelp("numberfield","Solvent Viscosity","solventViscosity","")]},{id:this.id+"comments",xtype:"textareafield",name:"comments",margin:"35 0 0 10",fieldLabel:"Comments",width:this.width-100,height:100}]},MacromoleculeForm.prototype._getSymmetries=function(){return[{s:"P1"},{s:"P2"},{s:"P3"},{s:"P4"},{s:"P5"},{s:"P6"},{s:"P32"},{s:"P42"},{s:"P52"},{s:"P62"},{s:"P222"}]},MacromoleculeForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:"hbox",buttons:this._getButtons(),cls:"border-grid",items:[{xtype:"container",margin:"20 0 0 20",layout:"vbox",items:this._getItems()}]}),this.panel},MacromoleculeForm.prototype._populateField=function(a,b){null!=b&&Ext.getCmp(this.id+a).setValue(b)},MacromoleculeForm.prototype._getField=function(a){return Ext.getCmp(this.id+a).getValue()},MacromoleculeForm.prototype.load=function(a){this.macromolecule=a,null!=a&&(this._populateField("name",a.name),this._populateField("acronym",a.acronym),this._populateField("extintionCoefficient",a.extintionCoefficient),this._populateField("molecularMass",a.molecularMass),this._populateField("comments",a.comments),this._populateField("refractiveIndex",a.refractiveIndex),this._populateField("solventViscosity",a.solventViscosity),null!=a.symmetry&&Ext.getCmp(this.id+"comboSym").setValue(a.symmetry),null!=this.macromolecule.proposalId&&(Ext.getCmp("proposalIdCombo").setValue(this.macromolecule.proposalId),Ext.getCmp("proposalIdCombo").disable()))},MacromoleculeForm.prototype.input=function(){return{}},MacromoleculeForm.prototype.test=function(a){var b=new MacromoleculeForm;b.onClose.attach(function(a){alert("Click on close")});var c=b.getPanel();c.render(a)},MacromoleculeGrid.prototype.edit=function(a){var b=this,c=new MacromoleculeWindow;c.onSave.attach(function(a){b.store.loadData(EXI.proposalManager.getMacromolecules())}),c.draw(a)},MacromoleculeGrid.prototype.getTbar=function(){var a=this,b=[];return b.push(Ext.create("Ext.Action",{icon:"images/icon/add.png",text:"Add",disabled:!1,handler:function(b,c){a.edit()}})),b.push("->"),b.push(Ext.create("Ext.Action",{icon:"images/icon/refresh.png",text:"Update From SMIS",tooltip:"Retrieve all the macromolecules of your proposal from SMIS database",disabled:!1,handler:function(b,c){a.grid.setLoading("Connecting to SMIS");var d=new BiosaxsDataAdapter;d.onSuccess.attach(function(b,c){BIOSAXS.proposal.setMacromolecules(c.macromolecules),a.refresh(BIOSAXS.proposal.macromolecules),a.grid.setLoading(!1)}),d.onError.attach(function(b,c){a.grid.setLoading(!1)}),d.updateDataBaseFromSMIS()}})),b},MacromoleculeGrid.prototype.deselectAll=function(){this.grid.getSelectionModel().deselectAll()},MacromoleculeGrid.prototype.selectById=function(a){this.grid.getSelectionModel().deselectAll();for(var b=0;b"+b+"":b}},{text:"Name",dataIndex:"name",id:this.id+"name",flex:1,hidden:!1},{text:"Comments",dataIndex:"comments",id:this.id+"comments",flex:1,hidden:!1}];return this.btnEditVisible&&b.push({xtype:"actioncolumn",width:40,text:"Edit",items:[{icon:"images/icon/edit.png",tooltip:"Edit",handler:function(b,c,d){var e=b.getStore().getAt(c);a.edit(EXI.proposalManager.getMacromoleculeById(e.get("macromoleculeId")))}}]}),this.btnRemoveVisible&&b.push({id:a.id+"buttonRemoveMacromolecule",width:85,sortable:!1,renderer:function(b,c,d,e,f,g){return a.btnRemoveVisible?BUI.getRedButton("REMOVE"):null}}),b},MacromoleculeGrid.prototype._prepareData=function(a){return a},MacromoleculeGrid.prototype.getPanel=function(a){var b=this;this.store=Ext.create("Ext.data.Store",{fields:["macromoleculeId","name","acronym","comments"],data:b._prepareData(a)}),this.store.sort("acronym");var c="Ext.grid.Panel";1==this.searchBar&&(c="Ext.ux.LiveSearchGridPanel");var d=null;return this.multiselect&&(d=Ext.create("Ext.selection.CheckboxModel",{multiSelect:this.multiselect,listeners:{selectionchange:function(a,c){for(var d=[],e=0;ee;e++)d.push({acronym:EXI.proposalManager.getMacromoleculeById(a.getValue()).acronym,macromoleculeId:a.getValue(),bufferId:b.getValue(),buffer_acronym:EXI.proposalManager.getBufferById(b.getValue()).acronym,concentration:Ext.getCmp(this.id+"conc").getValue(),volumeToLoad:Ext.getCmp(this.id+"volume").getValue(),exposureTemperature:Ext.getCmp(this.id+"seu").getValue(),transmission:Ext.getCmp(this.id+"transmission").getValue(),waitTime:Ext.getCmp(this.id+"waitTime").getValue(),viscosity:Ext.getCmp(this.id+"viscosity").getValue(),flow:Ext.getCmp(this.id+"flow").getValue()});this.measurementGrid.store.loadData(d,!0),this.setData(JSON.parse(Ext.encode(Ext.pluck(this.measurementGrid.grid.getStore().data.items,"data"))))}});return Ext.create("Ext.panel.Panel",{padding:"0 0 0 0",margin:"0 10 0 0",height:240,width:1150,cls:"border-grid",items:[{xtype:"container",layout:"hbox",margin:"10 10 0 10",items:[a,b,{xtype:"numberfield",id:this.id+"quantity",fieldLabel:"Repeat",labelWidth:100,width:220,margin:"5 0 0 120",minValue:0,maxValue:300,value:1}]},{xtype:"container",layout:"hbox",margin:"10 10 0 10",items:[{xtype:"numberfield",id:this.id+"conc",fieldLabel:"Conc. (mg/ml)",labelWidth:100,width:220,margin:"5 0 0 0",minValue:0,maxValue:300,value:1},{xtype:"numberfield",id:this.id+"seu",fieldLabel:"Exposure. Temp.",labelWidth:100,width:220,margin:"5 0 0 80",value:4,minValue:4,maxValue:60}]},{xtype:"container",margin:"10 10 0 10",layout:"hbox",items:[{xtype:"numberfield",id:this.id+"volume",fieldLabel:"Vol. To Load (µl)",labelWidth:100,width:220,value:40,margin:"5 0 0 0",minValue:10,maxValue:300},{xtype:"numberfield",id:this.id+"transmission",fieldLabel:"Transmission (%)",labelWidth:100,width:220,margin:"5 0 0 80",value:100,minValue:0,maxValue:100}]},{xtype:"container",layout:"hbox",margin:"10 10 0 10",items:[{xtype:"numberfield",id:this.id+"waitTime",fieldLabel:"Wait Time",labelWidth:100,width:220,value:0,minValue:0,maxValue:100},{xtype:"combo",id:this.id+"viscosity",store:["low","medium","high"],fieldLabel:"SC Viscosity",value:"low",labelWidth:100,width:220,margin:"0 0 0 80"},{xtype:"checkbox",id:this.id+"flow",checked:!0,fieldLabel:"Flow",labelWidth:100,width:250,margin:"0 0 0 80"}]},{xtype:"container",layout:"hbox",margin:"10 0 0 0",items:[c]}]})},MeasurementCreatorStepWizardForm.prototype.getConcentrationMeasurementForm=function(){var a=BIOSAXS_COMBOMANAGER.getComboMacromoleculeByMacromolecules(this.macromolecules,{width:300,labelWidth:100}),b=BIOSAXS_COMBOMANAGER.getComboBuffers(this.buffers,{width:300,labelWidth:100}),c=Ext.create("Ext.Button",{width:200,height:25,margin:"0 0 20 300",text:"Add",scope:this,handler:function(){for(var c=a.getValue(),d=b.getValue(),e=Ext.getCmp(this.id+"_cs_conc").getValue(),f=Ext.getCmp(this.id+"_cs_volume").getValue(),g=Ext.getCmp(this.id+"_cs_transmission").getValue(),h=Ext.getCmp(this.id+"_cs_seu").getValue(),i=Ext.getCmp(this.id+"_cs_waitTime").getValue(),j=Ext.getCmp(this.id+"_cs_viscosity").getValue(),k=Ext.getCmp(this.id+"_cs_flow").getValue(),l=[],m=1;e>=m;m++)l.push({acronym:EXI.proposalManager.getMacromoleculeById(c).acronym,macromoleculeId:c,bufferId:d,buffer_acronym:EXI.proposalManager.getBufferById(d).acronym,concentration:m,volumeToLoad:f,exposureTemperature:h,transmission:g,waitTime:i,viscosity:j,flow:k});this.measurementGrid.store.loadData(l,!0),this.setData(JSON.parse(Ext.encode(Ext.pluck(this.measurementGrid.store.data.items,"data"))))}});return Ext.create("Ext.panel.Panel",{margin:"0 10 0 0",height:200,width:1150,cls:"border-grid",items:[{xtype:"container",layout:"hbox",items:[{xtype:"numberfield",id:this.id+"_cs_conc",fieldLabel:"How many unknow concentrations do you have?",labelWidth:300,width:500,margin:"5 0 0 10",minValue:1,maxValue:20,value:1}]},{xtype:"container",margin:"10 0 0 10",layout:"hbox",items:[a,{xtype:"numberfield",id:this.id+"_cs_seu",fieldLabel:"Exposure. Temp.",labelWidth:100,width:220,margin:"5 0 0 20",value:4,minValue:4,maxValue:60},{xtype:"numberfield",margin:"5 0 0 50",id:this.id+"_cs_volume",fieldLabel:"Vol. To Load (µl)",labelWidth:100,width:220,value:40,minValue:10,maxValue:300},{xtype:"numberfield",id:this.id+"_cs_transmission",fieldLabel:"Transmission (%)",labelWidth:100,width:220,margin:"5 0 0 50",value:100,minValue:0,maxValue:100}]},{xtype:"container",layout:"hbox",margin:"5 0 0 10",items:[b,{xtype:"numberfield",id:this.id+"_cs_waitTime",fieldLabel:"Wait Time",labelWidth:100,width:220,value:0,minValue:0,maxValue:100,margin:"5 0 0 20"},{xtype:"combo",id:this.id+"_cs_viscosity",store:["low","medium","high"],fieldLabel:"SC Viscosity",value:"low",margin:"5 0 0 50",labelWidth:100,width:220},{xtype:"checkbox",id:this.id+"_cs_flow",fieldLabel:"Flow",checked:!0,labelWidth:100,width:250,margin:"0 0 0 80"}]},{xtype:"container",layout:"hbox",margin:"20 0 0 0",items:[c]}]})},MeasurementCreatorStepWizardForm.prototype.getHeaderForm=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:"hbox",height:100,items:[{xtype:"textfield",name:"Name",id:this.id+"name",width:400,labelWidth:50,fieldLabel:"Name",margin:"20 20 20 20",value:""},{id:this.id+"comments",xtype:"textareafield",name:"comments",fieldLabel:"Comments",height:75,labelWidth:100,margin:"20 20 20 50",width:600}]}),this.panel},MeasurementCreatorStepWizardForm.prototype.getForm=function(){var a=this;return this.formPanel=Ext.create("Ext.tab.Panel",{padding:"0 0 0 0",plain:!0,margin:"20 5 20 10",height:290,items:[{tabConfig:{title:"Concentration Series"},items:this.getConcentrationMeasurementForm()},{tabConfig:{title:"Individual Measurement"},items:[this.getSingleMeasurementForm()]}]}),this.measurementGrid=new MeasurementGrid({height:250,maxHeight:250,minHeight:250,width:1150,tbar:!1,maxWidth:870,resizable:!1,margin:"0 10 10 10",isStatusColumnHidden:!0,isTimeColumnHidden:!0,removeBtnEnabled:!0,isPriorityColumnHidden:!0}),this.measurementGrid.onRemoved.attach(function(b,c){a.setData(JSON.parse(Ext.encode(Ext.pluck(a.measurementGrid.grid.getStore().data.items,"data"))))}),this.panel=Ext.create("Ext.panel.Panel",{plain:!0,frame:!1,border:0,items:[this.getHeaderForm(),this.formPanel,this.addButton,this.measurementGrid.getPanel([])]}),null!=this.data.measurementsSelected&&(this.measurementGrid.grid.getStore().loadData(this.data.measurementsSelected,!1),this.setData(JSON.parse(Ext.encode(Ext.pluck(this.measurementGrid.grid.getStore().data.items,"data"))))),this.panel},MeasurementCreatorStepWizardForm.prototype.getBuffers=function(a){for(var b={},c=null,d=0;de;e++)b.push({plate:2,row:Math.floor(e/3)+1,well:Number(Number(e%3)+9)});for(var f=0,e=0;32>e;e++){var g={plate:2,row:Math.floor(e/8)+1,well:Number(e%8)+1-f};c.push(g)}}for(var d=0;d',autoScroll:!0}},MolarityForm.prototype._getNumericWithHelp=function(a,b,c,d){return Ext.create("Ext.container.Container",{margin:"10 0 0 10",items:[{xtype:a,fieldLabel:b,name:c,id:this.id+c,decimalPrecision:6},{xtype:"label",forId:"myFieldId",text:d,margin:"5 0 0 105",cls:"inline-help"}]})},MolarityForm.prototype._getItems=function(){return this.macromoleculeCombo=BIOSAXS_COMBOMANAGER.getComboMacromoleculeByMacromolecules(this.getMacromuleculesCandidates(this.macromolecule),{width:250,labelWidth:100,margin:10}),[{xtype:"container",flex:1,margin:"10 0 0 10",border:0,layout:"anchor",defaultType:"requiredtext",items:[this.macromoleculeCombo,this._getNumericWithHelp("textfield","Ratio","ratio","Number in assymmetric units")]}]},MolarityForm.prototype._persist=function(){var a=this,b=this.macromoleculeCombo.getValue(),c=Ext.getCmp(this.id+"ratio").getValue(),d="Not used yet",e=new BiosaxsDataAdapter;this.panel.setLoading("Saving"),e.onSuccess.attach(function(b,c){a.onSave.notify()}),e.saveStoichiometry(this.macromolecule.macromoleculeId,b,c,d)},MolarityForm.prototype._getButtons=function(){function a(){b.onClose.notify()}var b=this;return[{text:"Save",handler:function(){b._persist()}},{text:"Cancel",handler:function(){a()}}]},MolarityForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.form.Panel",{height:this.height,margin:2,border:1,defaultType:"requiredtext",items:this._getItems(),buttons:this._getButtons()}),this.panel},MolarityForm.prototype.getMacromuleculesCandidates=function(a){var b=[];if(BIOSAXS.proposal.macromolecules)for(var c=0;c0;)b.removeChild(b.childNodes[0])},DOM.select=function(a){return document.getElementById(a)},GraphCanvas.prototype.showLabels=function(a){this.args.labeled=a,this.removeLabels(),a&&this.renderLabels()},GraphCanvas.prototype.getSelectedVertices=function(){return this.args.selectedVertices},GraphCanvas.prototype.getSelectedEdges=function(){var a=[];for(var b in this.args.isEdgeSelected)a.push(b);return a},GraphCanvas.prototype.createSVGDom=function(a,b,c,d,e){var f=document.getElementById(a);return this._svg=SVG.createSVGCanvas(f,[["style","background-color:"+e+";"],["id",b],["dragx",0],["dragy",0],["height",this.getFormatter().getHeight()],["width",this.getFormatter().getWidth()]]),this._svg},GraphCanvas.prototype.isMultipleSelectionEnabled=function(){return this.args.multipleSelectionEnabled},GraphCanvas.prototype.setMultipleSelection=function(a){this.args.multipleSelectionEnabled=a,this.args.draggingCanvasEnabled=!a},GraphCanvas.prototype.setSelecting=function(a){this.selecting=a},GraphCanvas.prototype.setLinking=function(a){this.args.linkEnabled=a,this.selecting=!a,this.dragging=!a},GraphCanvas.prototype.setDraggingCanvas=function(a){this.args.draggingCanvasEnabled=a,this.args.multipleSelectionEnabled=!a},GraphCanvas.prototype.isDraggingCanvasEnabled=function(){return this.args.draggingCanvasEnabled},GraphCanvas.prototype.getScale=function(){return this.getFormatter().getZoomScale()},GraphCanvas.prototype.setScale=function(a){var b=document.getElementById(this.args.idGraph);b.setAttribute("transform",b.getAttribute("transform").replace("scale("+this.getScale()+")","scale("+a+")")),this.getFormatter().setZoomScale(a)},GraphCanvas.prototype.zoomIn=function(){this.setScale(this.getScale()+this.getFormatter().getZoomScaleStepFactor())},GraphCanvas.prototype.zoomOut=function(){this.setScale(this.getScale()-this.getFormatter().getZoomScaleStepFactor())},GraphCanvas.prototype.getSVGCoordenates=function(a){var b=this._svg.createSVGPoint();b.x=a.clientX,b.y=a.clientY;var c=this._svg.getScreenCTM(document.documentElement);return b=b.matrixTransform(c.inverse())},GraphCanvas.prototype.mouseClick=function(a){if(0==a.button){if(!this.args.interactive)return;this.isVertex(a.target)&&this.clickNode(this.getVertexIdFromSVGId(a.target.id)),this.dragging&&(this.dragging=!1)}},GraphCanvas.prototype.mouseMove=function(a){if(this.selecting){this.clearLabels();var b=this.getSVGCoordenates(a).x-this.selectorX,c=this.getSVGCoordenates(a).y-this.selectorY;b>0&&c>0&&this.displaySelection(this.selectorX,this.selectorY,b,c),b>0&&0>c&&this.displaySelection(this.selectorX,this.getSVGCoordenates(a).y,b,Math.abs(c)),0>b&&0>c&&this.displaySelection(this.getSVGCoordenates(a).x,this.getSVGCoordenates(a).y,Math.abs(b),Math.abs(c)),0>b&&c>0&&this.displaySelection(this.selectorX+b,this.selectorY,Math.abs(b),Math.abs(c));var d=(parseFloat(this.selectorSVGNode.getAttribute("x"))-DOM.select(this.id).getAttribute("dragx"))/this.getFormatter().getWidth(),e=(parseFloat(this.selectorSVGNode.getAttribute("y"))-DOM.select(this.id).getAttribute("dragy"))/this.getFormatter().getHeight(),f=d+parseFloat(this.selectorSVGNode.getAttribute("width")/this.getFormatter().getWidth()),g=e+parseFloat(this.selectorSVGNode.getAttribute("height")/this.getFormatter().getHeight());this.deselectNodes(this.getLayout());for(var h=this.getLayout().getVerticesByArea(d/this.getFormatter().getZoomScale(),e/this.getFormatter().getZoomScale(),f/this.getFormatter().getZoomScale(),g/this.getFormatter().getZoomScale()),i=0;i=this.args.maxNumberEdgesMoving&&this.moveEdge(b)}if(this.selecting){this.setSelecting(!1);for(var c=(parseFloat(this.selectorSVGNode.getAttribute("x"))-DOM.select(this.id).getAttribute("dragx"))/this.getFormatter().getWidth(),d=(parseFloat(this.selectorSVGNode.getAttribute("y"))-DOM.select(this.id).getAttribute("dragy"))/this.getFormatter().getHeight(),e=c+parseFloat(this.selectorSVGNode.getAttribute("width")/this.formatter.getWidth()),f=d+parseFloat(this.selectorSVGNode.getAttribute("height")/this.formatter.getHeight()),g=this.getLayout().getVerticesByArea(c/this.getFormatter().getZoomScale,d/this.getFormatter().getZoomScale,e/this.getFormatter().getZoomScale,f/this.getFormatter().getZoomScale),h=0;h")+6;return a.substr(b,c)},GraphCanvas.prototype.draw=function(a,b,c){this.setDataset(a),this.setFormatter(b),this.setLayout(c);var d=this;this.getFormatter().changed.attach(function(a,b){d.removeNode(b.getId()),d.renderNode(b.getId()),d.args.labeled&&(d.removeLabel(b.getId()),d.renderLabel(b.getId()))}),this.getFormatter().edgeChanged.attach(function(a,b){d.removeEdge(b.getId()),d.renderEdge(b.getId())}),this.getFormatter().resized.attach(function(a,b){d.resize(d.getFormatter().getWidth(),d.getFormatter().getHeight())}),this.getFormatter().backgroundImageChanged.attach(function(a,b){d.setBackgroundImage(d.getFormatter().getBackgroundImage())}),this.getFormatter().backgroundColorChanged.attach(function(a,b){d._setBackgroundColor(d.getFormatter().getBackgroundColor())}),this.getLayout().changed.attach(function(a,b){d.moveNode(b.getId()),d.moveEdge(b.getId()),d.args.labeled&&(d.removeLabel(b.getId()),d.renderLabel(b.getId()))}),this.getDataset().newVertex.attach(function(a,b){d.renderNode(b.getId()),d.args.labeled&&d.renderLabel(b.getId())}),this.getDataset().newEdge.attach(function(a,b){d.renderEdge(b.getId())}),this.getDataset().vertexDeleted.attach(function(a,b){d.removeNode(b.getId()),d.args.labeled&&d.removeLabel(b.getId())}),this.getDataset().edgeDeleted.attach(function(a,b){d.removeEdge(b.getId())}),this.getDataset().vertexNameChanged.attach(function(a,b){d.args.labeled&&(d.removeLabel(b.item.getId()),d.removeLabel(b.item.getId()),d.renderLabel(b.item.getId()))}),this.init(),this.render()},GraphCanvas.prototype.render=function(){for(var a in this.getDataset().getVertices())this.renderNode(a);this.renderLabels(),this.renderEdges()},GraphCanvas.prototype.renderLabels=function(){if(this.args.labeled)for(var a in this.getDataset().getVertices())this.renderLabel(a)},GraphCanvas.prototype.removeLabels=function(){for(var a in this.getDataset().getVertices())this.removeLabel(a)},GraphCanvas.prototype.isNodeCanvas=function(a){return a.id==this.args.idGraph||a.id==this.id},GraphCanvas.prototype.isNodeBackground=function(a){return a.id==this.args.idBackgroundNode},GraphCanvas.prototype.isVertex=function(a){return null!=a.getAttribute("id")&&-1!=a.getAttribute("id").indexOf("_v_")},GraphCanvas.prototype.isLabel=function(a){return null!=a.getAttribute("id")&&-1!=a.getAttribute("id").indexOf("_l_")},GraphCanvas.prototype.isEdge=function(a){return null!=a.getAttribute("id")&&-1!=a.getAttribute("id").indexOf("_e_")},GraphCanvas.prototype.resize=function(a,b){null!=this.NodeSVGbackgroundImage&&(this.NodeSVGbackgroundImage.setAttribute("width",a),this.NodeSVGbackgroundImage.setAttribute("height",b)),this._svg.setAttribute("width",a),this._svg.setAttribute("height",b),this.clearCanvas(),this.render()},GraphCanvas.prototype.clearCanvas=function(){DOM.removeChilds(this.GraphEdgeGroup.getAttribute("id")),DOM.removeChilds(this.GraphNodeGroup.getAttribute("id")),this.clearLabels()},GraphCanvas.prototype.clearLabels=function(){DOM.removeChilds(this.GraphLabelGroup.getAttribute("id"))},GraphCanvas.prototype.getSVGNodeId=function(a){return this.id+"_v_"+a},GraphCanvas.prototype.getSVGEdgeId=function(a){return this.id+"_e_"+a},GraphCanvas.prototype.getSVGArrowEdgeId=function(a){return this.id+"_arrow_"+a},GraphCanvas.prototype.getSVGLabelId=function(a){return this.id+"_l_"+a},GraphCanvas.prototype.blinkVertexById=function(a){$("#"+this.getSVGNodeId(a)).fadeIn().fadeOut().fadeIn().fadeOut().fadeIn().fadeOut()},GraphCanvas.prototype.getVertexIdFromSVGId=function(a){return a.replace(this.id,"").replace("_v_","")},GraphCanvas.prototype.getEdgeIdFromSVGId=function(a){return a.replace(this.id,"").replace("_e_","")},GraphCanvas.prototype.getVertexById=function(a){return document.getElementById(this.getSVGNodeId(a))},GraphCanvas.prototype.renderNodes=function(){for(var a in this.getDataset().getVertices())this.renderNode(a)},GraphCanvas.prototype.overNode=function(a){if(this.args.interactive&&null==this.args.isVertexSelected[a]){var b=this.getFormatter().getVertexById(a).getOver();b.args.cursor="pointer",this.changeVertexFormat(a,b)}},GraphCanvas.prototype.outNode=function(a){this.args.interactive&&null==this.args.isVertexSelected[a]&&this.changeVertexFormat(a,this.getFormatter().getVertexById(a).getDefault())},GraphCanvas.prototype.overLabel=function(a){this.overNode(a)},GraphCanvas.prototype.outLabel=function(a){this.outNode(a)},GraphCanvas.prototype.clickNode=function(a){this.args.interactive&&(null==this.args.isVertexSelected[a]?this.selectNode(a):this.deselectNode(a))},GraphCanvas.prototype.selectNode=function(a){for(var b=0;bb&&(this.args.isVertexSelected[c]=this.args.isVertexSelected[c]-1)}},GraphCanvas.prototype.deselectNodes=function(){for(var a=JSON.parse(JSON.stringify(this.getSelectedVertices())),b=0;bc-a){var g=Geometry.getAdjacentSideOfRectangleRight(f,e);c=parseFloat(c)+parseFloat(g),arrowX=parseFloat(c)+parseFloat(g)+this.arrowDefaultSize/2}else{var g=Geometry.getAdjacentSideOfRectangleRight(f,e);c=parseFloat(c)-parseFloat(g),arrowX=parseFloat(c)-parseFloat(g)-this.arrowDefaultSize/2}if(d-b>0){var h=Geometry.getOppositeSideOfRectangleRight(f,e);d=parseFloat(d)-parseFloat(h),arrowY=parseFloat(d)-parseFloat(h)-this.arrowDefaultSize/2}else{var h=Geometry.getOppositeSideOfRectangleRight(f,e);d=parseFloat(d)+parseFloat(h),arrowY=parseFloat(d)+parseFloat(h)-this.arrowDefaultSize/2}return{x:arrowX,y:arrowY,angle:f}},GraphCanvas.prototype.calculateCoordenatesBezier=function(a,b,c){var d=b-a/2,e=c-a/2,f=parseFloat(b)+parseFloat(a/2),g=c-a/2,h=(f-d)/2+d,i=c-2*a,j="M"+d+","+e+" T"+h+","+i+" "+f+","+g;return j},GraphCanvas.prototype.renderEdges=function(){for(var a in this.getDataset().getEdges())this.renderEdge(this.getDataset().getEdgeById(a).getId())},GraphCanvas.prototype.getLastSelectedNode=function(){var a=null;if(this.getSelectedVertices().length>0){var b=this.getSelectedVertices()[this.getSelectedVertices().length-1];a=this.getDataset().getVertexById(b)}return a},GraphCanvas.prototype.setDataset=function(a){this.dataset=a},GraphCanvas.prototype.setFormatter=function(a){this.formatter=a},GraphCanvas.prototype.setLayout=function(a){this.layout=a},GraphCanvas.prototype.getDataset=function(){return this.dataset},GraphCanvas.prototype.getFormatter=function(){return this.formatter},GraphCanvas.prototype.getLayout=function(){return this.layout},GraphCanvas.prototype.addVertex=function(a,b){this.getDataset().addNode(a,b)},GraphCanvas.prototype.removeVertex=function(a){this.getDataset().getVertexById(a).remove()},GraphCanvas.prototype.addEdge=function(a,b,c,d){this.getDataset().addEdge(a,b,c,d)},GraphCanvas.prototype.getWidth=function(){return this.getFormatter().getWidth()},GraphCanvas.prototype.getHeight=function(){return this.getFormatter().getHeight()},GraphCanvas.prototype.getBackgroundImage=function(){return this.getFormatter().getBackgroundImage()},GraphCanvas.prototype.getBackgroundColor=function(){return this.getFormatter().getBackgroundColor()},GraphCanvas.prototype.setBackgroundColor=function(){this.getFormatter().setBackgroundColor(value)},GraphCanvas.prototype.setVertexSize=function(a,b){this.getFormatter().getVertexById(a).getDefault().setSize(b)},GraphCanvas.prototype.getVertexSize=function(a){return this.getFormatter().getVertexById(a).getDefault().getSize()},GraphCanvas.prototype.setVertexStroke=function(a,b){this.getFormatter().getVertexById(a).getDefault().setStroke(b)},GraphCanvas.prototype.getVertexStroke=function(a){return this.getFormatter().getVertexById(a).getDefault().getStroke()},GraphCanvas.prototype.setVertexStrokeOpacity=function(a,b){this.getFormatter().getVertexById(a).getDefault().setStrokeOpacity(b)},GraphCanvas.prototype.getVertexStrokeOpacity=function(a){return this.getFormatter().getVertexById(a).getDefault().getStrokeOpacity()},GraphCanvas.prototype.setVertexOpacity=function(a,b){this.getFormatter().getVertexById(a).getDefault().setOpacity(b)},GraphCanvas.prototype.getVertexOpacity=function(a){return this.getFormatter().getVertexById(a).getDefault().getOpacity()},GraphCanvas.prototype.setVertexFill=function(a,b){this.getFormatter().getVertexById(a).getDefault().setFill(b)},GraphCanvas.prototype.getVertexFill=function(a){return this.getFormatter().getVertexById(a).getDefault().getFill()},GraphCanvas.prototype.setEdgeSize=function(a,b){this.getFormatter().getEdgeById(a).getDefault().setSize(b)},GraphCanvas.prototype.getEdgeSize=function(a){return this.getFormatter().getEdgeById(a).getDefault().getSize()},GraphCanvas.prototype.setEdgeStroke=function(a,b){this.getFormatter().getEdgeById(a).getDefault().setStroke(b)},GraphCanvas.prototype.getEdgeStroke=function(a){return this.getFormatter().getEdgeById(a).getDefault().getStroke()},GraphCanvas.prototype.setEdgeStrokeOpacity=function(a,b){this.getFormatter().getEdgeById(a).getDefault().setStrokeOpacity(b)},GraphCanvas.prototype.getEdgeStrokeOpacity=function(a){return this.getFormatter().getEdgeById(a).getDefault().getStrokeOpacity()},GraphCanvas.prototype.setEdgeFill=function(a,b){this.getFormatter().getEdgeById(a).getDefault().setFill(b)},GraphCanvas.prototype.getEdgeFill=function(a){return this.getFormatter().getEdgeById(a).getDefault().getFill()},GraphCanvas.prototype.setCoordinates=function(a,b,c){return this.getLayout().getEdgeById(a).setCoordinates(b,c)},GraphDataset.prototype.loadFromJSON=DataSet.prototype.loadFromJSON,GraphDataset.prototype.toJSON=DataSet.prototype.toJSON,GraphDataset.prototype.validate=DataSet.prototype.validate,GraphDataset.prototype.getMaxClass=function(){var a=0;for(var b in this.vertices)this.vertices[b].getEdgesCount()>a&&(a=this.vertices[b].getEdgesCount());return a},GraphDataset.prototype.getMinClass=function(){var a=Math.min();for(var b in this.vertices)this.vertices[b].getEdgesCount()=b?this.getVertexById(this.verticesIndex[a]):b},GraphDataset.prototype.getVertexById=function(a){return this.vertices[a]},GraphDataset.prototype.toSIF=function(){var a=new SifFileDataAdapter;return a.toSIF(this)},GraphDataset.prototype.toSIFID=function(){var a=new SifFileDataAdapter;return a.toSIFID(this)},GraphDataset.prototype.toDOT=function(){var a=new DotFileDataAdapter;return a.toDOT(this)},GraphDataset.prototype.toDOTID=function(){var a=new DotFileDataAdapter;return a.toDOTID(this)},GraphDataset.prototype._addNode=function(a,b){return new Vertex(this._getVerticesCount()-1,a,b)},GraphDataset.prototype.addNode=function(a,b){this.json.vertices.push(a),this._addVerticesIndex(a,this._getVerticesCount()-1);var c=this._addNode(a,b);this.vertices[this._getVerticesCount()-1]=c,this._setNodeEvents(c),this.newVertex.notify(c)},GraphDataset.prototype._addVerticesIndex=function(a,b){null==this.verticesIndex[a]&&(this.verticesIndex[a]=new Array),this.verticesIndex[a].push(b)},GraphDataset.prototype.addEdge=function(a,b,c,d){this.json.edges.push(a);var e=this.getVertexById(b),f=this.getVertexById(c),g=this.getEdgesCount()-1;this.edges[g]=new Edge(g,a,e,f,d),this.json.relations.push({index:g,sourceIndex:b,targetIndex:c,args:d}),e.addEdge(this.edges[g]),f.addEdge(this.edges[g]),this._setEdgeEvents(this.edges[g]),this.newEdge.notify(this.edges[g])},GraphDataset.prototype.getVertices=function(){return this.vertices},GraphDataset.prototype.getEdges=function(){return this.edges},GraphDataset.prototype.getEdgeById=function(a){return this.edges[a]},GraphDataset.prototype._getVerticesCount=function(){return this.json.vertices.length},GraphDataset.prototype.getVerticesCount=function(){var a=0;for(var b in this.getVertices())a++;return a},GraphDataset.prototype.getEdgesCount=function(){return this.json.edges.length},GraphDataset.prototype.init=function(){this.edges=new Object,this.vertices=new Object},GraphDataset.prototype._setNodeEvents=function(a){var b=this;a.deleted.attach(function(a,c){b._removeNode(c)}),a.nameChanged.attach(function(a,c){for(var d=c.item,e=d.name,f=b.verticesIndex[c.previousName],g=0;g "+this.vertices[a].getEdgesIn()[b].getNodeTarget().getName())}},GraphDataset.prototype._removeEdge=function(a){this.json.edges[a.getId()]=null,this.json.relations[a.getId()]=null,delete this.edges[a.getId()],this.edgeDeleted.notify(a)},GraphDataset.prototype._removeNode=function(a){this.json.vertices[a.getId()]=null,delete this.vertices[a.getId()],this.vertexDeleted.notify(a)},GraphDataset.prototype.toJSON=function(){var a=new Object;new Array;return a.nodes=this.json.vertices,a.edges=this.json.edges,a.relations=this.json.relations,a},GraphDataset.prototype.clone=function(){var a=new GraphDataset;return a.loadFromJSON(this.toJSON()),a},GraphItem.prototype.getName=function(){return this.name},GraphItem.prototype.getId=function(){return this.id},GraphItem.prototype.setName=function(a){var b=this.getName();this.name=a,this.nameChanged.notify({item:this,previousName:b})},ItemGraphFormatter.prototype.getType=function(){return this.args.type},ItemGraphFormatter.prototype.toJSON=function(){var a=this.args;return a.defaultFormat=this.getDefault().toJSON(),a.over=this.getOver().toJSON(),a.selected=this.getSelected().toJSON(),a.dragging=this.getDragging().toJSON(),a.id=this.id,a},ItemGraphFormatter.prototype.loadFromJSON=function(a){this.args=a,this.defaultFormat=new ItemFormat(a.defaultFormat),this.over=new ItemFormat(a.over),this.selected=new ItemFormat(a.selected),this.dragging=new ItemFormat(a.dragging),this._setEvents()},ItemGraphFormatter.prototype._setEvents=function(){var a=this;this.defaultFormat.changed.attach(function(b,c){a.over.setSize(a.defaultFormat.getSize()),a.selected.setSize(a.defaultFormat.getSize()),a.dragging.setSize(a.defaultFormat.getSize()),a.stateChanged.notify(a)}),this.selected.changed.attach(function(b,c){a.stateChanged.notify(a)}),this.over.changed.attach(function(b,c){a.stateChanged.notify(a)}),this.dragging.changed.attach(function(b,c){a.stateChanged.notify(a)})},ItemGraphFormatter.prototype.getId=function(){return this.id},ItemGraphFormatter.prototype.getDefault=function(){return this.defaultFormat},ItemGraphFormatter.prototype.getSelected=function(){return this.selected},ItemGraphFormatter.prototype.getOver=function(){return this.over},ItemGraphFormatter.prototype.getDragging=function(){return this.dragging},ItemFormat.prototype._fixColor=function(a){var b=a;return-1!=a.indexOf("green")&&(b="#04B431"),-1!=a.indexOf("blue")&&(b="#045FB4"),-1!=a.indexOf("red")&&(b="#DF0101"),-1!=a.indexOf("black")&&(b="#000000"),-1!=a.indexOf("white")&&(b="#FFFFFF"),-1==a.indexOf("#")&&(b="#"+a),b},ItemFormat.prototype.toJSON=function(){return null!=this.args.strokeOpacity&&(this.args["stroke-opacity"]=this.args.strokeOpacity,delete this.args.strokeOpacity),null!=this.args.title.fontColor?this.args.title["font-color"]=this.args.title.fontColor:this.args.title["font-color"]=this.args.fontColor,null!=this.args.title.fontSize?this.args.title["font-size"]=this.args.title.fontSize:this.args.title["font-size"]=this.args.fontSize,this.args},ItemFormat.prototype.getAttribute=function(a){return this.args[a]},ItemFormat.prototype.setVisible=function(a){this.args.visible!=a&&(this.args.visible=a,this.changed.notify(this))},ItemFormat.prototype.getVisible=function(){return this.args.visible},ItemFormat.prototype.setHidden=function(a){this.args.hidden!=a&&(this.args.hidden=a,this.changed.notify(this))},ItemFormat.prototype.getHidden=function(){return this.args.hidden},ItemFormat.prototype.setStroke=function(a){this.args.stroke!=a&&(this.args.stroke=a,this.changed.notify(this))},ItemFormat.prototype.getStroke=function(){return this.args.stroke},ItemFormat.prototype.setStrokeOpacity=function(a){this.args.strokeOpacity!=a&&(this.args.strokeOpacity=a,this.changed.notify(this))},ItemFormat.prototype.getStrokeOpacity=function(){return this.args["stroke-opacity"]},ItemFormat.prototype.setStrokeWidth=function(a){this.args["stroke-width"]!=a&&(this.args["stroke-width"]=a,this.changed.notify(this))},ItemFormat.prototype.getFillOpacity=function(){return this.args["fill-opacity"]},ItemFormat.prototype.setfillOpacity=function(a){this.args["fill-opacity"]!=a&&(this.args["fill-opacity"]=a,this.changed.notify(this))},ItemFormat.prototype.getStrokeWidth=function(){return this.args["stroke-width"]},ItemFormat.prototype.setFill=function(a){this.args.fill!=a&&(this.args.fill=a,this.changed.notify(this))},ItemFormat.prototype.getFill=function(){return this.args.fill},ItemFormat.prototype.setSize=function(a){this.args.size!=a&&(this.args.size=a,this.changed.notify(this))},ItemFormat.prototype.getSize=function(){return this.args.size},ItemFormat.prototype.setOpacity=function(a){this.args.opacity!=a&&(this.args.opacity=a,this.changed.notify(this))},ItemFormat.prototype.getOpacity=function(){return this.args.opacity},ItemFormat.prototype.getArrowSize=function(){return this.args.arrowSize},ItemFormat.prototype.setArrowSize=function(a){this.args.arrowSize!=a&&(this.args.arrowSize=a,this.changed.notify(this))},ItemFormat.prototype.getFontSize=function(){return this.args.title.fontSize},ItemFormat.prototype.setFontSize=function(a){this.args.title.fontSize!=a&&(this.args.title.fontSize=a,this.changed.notify(this))},LayoutDataset.prototype.loadFromJSON=function(a,b){var c=this;this.vertices=new Object,this.dataset=a;for(var d in b)this.vertices[d]=new NodeLayout(d,b[d].x,b[d].y),this.vertices[d].changed.attach(function(a,b){c.changed.notify(b)});this._attachDatasetEvents()},LayoutDataset.prototype.toJSON=function(){var a=new Object;for(var b in this.vertices)a[b]=new Object,a[b].x=this.vertices[b].x,a[b].y=this.vertices[b].y;return a.dataset=new Object,a.dataset=this.dataset.toJSON(),a},LayoutDataset.prototype.dataBind=function(a){this.dataset=a,this._attachDatasetEvents(),this._calculateLayout()},LayoutDataset.prototype._removeVertex=function(a){delete this.vertices[a]},LayoutDataset.prototype._attachDatasetEvents=function(){var a=this;this.dataset.vertexDeleted.attach(function(b,c){a._removeVertex(c.getId())}),this.dataset.newVertex.attach(function(b,c){a.vertices[c.getId()]=new NodeLayout(c.getId(),.5,.5),a.vertices[c.getId()].changed.attach(function(b,c){a.changed.notify(c)})})},LayoutDataset.prototype.getType=function(){return this.args.type},LayoutDataset.prototype._calculateLayoutVertices=function(a,b){if("CIRCLE"==a){for(var c=.4,d=.5,e=.5,f=new Array,g=0;b>g;g++)x=d+c*Math.sin(2*g*Math.PI/b),y=e+c*Math.cos(2*g*Math.PI/b),f.push({x:x,y:y});return f}},LayoutDataset.prototype._calculateLayout=function(){var a=this;if("RANDOM"==this.getType())for(var b in this.dataset.getVertices())null==this.vertices[b]&&(this.vertices[b]=new NodeLayout(b,0,0)),this.vertices[b].setCoordinates(Math.random(),Math.random()),this.vertices[b].changed.attach(function(b,c){a.changed.notify(c)});if("CIRCLE"==this.getType()){var c=this.dataset._getVerticesCount(),d=this._calculateLayoutVertices(this.getType(),c),e=0;for(var b in this.dataset.getVertices())null==this.vertices[b]&&(this.vertices[b]=new NodeLayout(b,0,0)),this.vertices[b].setCoordinates(d[e].x,d[e].y),e++,this.vertices[b].changed.attach(function(b,c){a.changed.notify(c)})}if("SQUARE"==this.getType()){for(var c=this.dataset._getVerticesCount(),f=.1,g=.9,h=.1,i=Math.sqrt(c),j=(g-f)/i,d=new Array,k=0;i>k;k++)for(var l=0;i>l;l++)x=k*j+f,y=l*j+h,d.push({x:x,y:y});var e=0;for(var b in this.dataset.getVertices())null==this.vertices[b]&&(this.vertices[b]=new NodeLayout(b,0,0)),this.vertices[b].setCoordinates(d[e].x,d[e].y),e++,this.vertices[b].changed.attach(function(b,c){a.changed.notify(c)})}},LayoutDataset.prototype.getNodeById=function(a){return this.vertices[a]},LayoutDataset.prototype.getVerticesByArea=function(a,b,c,d){var e=new Array;for(var f in this.dataset.getVertices())this.vertices[f].x>=a&&this.vertices[f].x<=c&&this.vertices[f].y>=b&&this.vertices[f].y<=d&&e.push(this.vertices[f]);return e},LayoutDataset.prototype.getLayout=function(a){if("CIRCLE"==a)return this.args.type="CIRCLE",void this._calculateLayout();if("SQUARE"==a)return this.args.type="SQUARE",void this._calculateLayout();if("RANDOM"==a)return this.args.type="RANDOM",void this._calculateLayout();var b=this.dataset.toDOTID(),c="http://bioinfo.cipf.es/utils/ws/rest/network/layout/"+a+".coords",d=this;$.ajax({async:!0,type:"POST",url:c,dataType:"text",data:{dot:b},cache:!1,success:function(a){var b=JSON.parse(a);for(var c in b)d.vertices[c].setCoordinates(b[c].x,b[c].y)}})},NodeLayout.prototype.getId=function(a){return this.id},NodeLayout.prototype.setCoordinates=function(a,b){this.x=a,this.y=b,this.changed.notify(this)},NetworkDataSetFormatter.prototype.loadFromJSON=function(a,b){this.args=new Object,this.vertices=new Object,this.args=b,this._setDataset(a);for(var c in b.vertices)this.addVertex(c,b.vertices[c]);for(var d in b.edges)this.addEdge(d,b.edges[d])},NetworkDataSetFormatter.prototype.toJSON=function(){var a=new Object;a=JSON.parse(JSON.stringify(this.args)),a.vertices=new Object,a.edges=new Object;for(var b in this.vertices)a.vertices[b]=this.getVertexById(b).toJSON();for(var c in this.edges)a.edges[c]=this.getEdgeById(c).toJSON();return a},NetworkDataSetFormatter.prototype._getNodeSize=function(a){if(this.isVerticesBalanced()){var b=this.maxClass-this.minClass;0==b&&(b=1);var c=this.dataset.getVertexById(a).getEdges().length;return c*this.args.nodesMaxSize/b+this.args.nodesMinSize}return this.getVertexById(a).getDefault().getSize()},NetworkDataSetFormatter.prototype._recalculateSize=function(){if(this.isVerticesBalanced()){this.maxClass=this.dataset.getMaxClass(),this.minClass=this.dataset.getMinClass();for(var a in this.vertices){var b=this._getNodeSize(a);this.vertices[a].getDefault().setSize(b),this.vertices[a].getSelected().setSize(b),this.vertices[a].getOver().setSize(b)}}},NetworkDataSetFormatter.prototype.addVertex=function(a,b){null==b?this.vertices[a]=new CircleVertexGraphFormatter(a,this.args.vertexFormatProperties.defaultFormat,this.args.vertexFormatProperties.selected,this.args.vertexFormatProperties.over,this.args.vertexFormatProperties.dragging):(null==b.type&&(this.vertices[a]=new CircleVertexGraphFormatter(a,this.args.vertexFormatProperties.defaultFormat,this.args.vertexFormatProperties.selected,this.args.vertexFormatProperties.over,this.args.vertexFormatProperties.dragging)),"SquareVertexGraphFormatter"!=b.type&&"SquareVertexNetworkFormatter"!=b.type||(this.vertices[a]=new SquareVertexGraphFormatter(a),this.vertices[a].loadFromJSON(b)),"CircleVertexGraphFormatter"!=b.type&&"CircleVertexNetworkFormatter"!=b.type||(this.vertices[a]=new CircleVertexGraphFormatter(a),this.vertices[a].loadFromJSON(b)),"EllipseVertexGraphFormatter"!=b.type&&"EllipseVertexNetworkFormatter"!=b.type||(this.vertices[a]=new EllipseVertexGraphFormatter(a),this.vertices[a].loadFromJSON(b)),"RectangleVertexGraphFormatter"!=b.type&&"RectangleVertexNetworkFormatter"!=b.type||(this.vertices[a]=new RectangleVertexGraphFormatter(a),this.vertices[a].loadFromJSON(b)),"RoundedVertexGraphFormatter"!=b.type&&"RoundedVertexNetworkFormatter"!=b.type||(this.vertices[a]=new RoundedVertexGraphFormatter(a),this.vertices[a].loadFromJSON(b)));var c=this;this.vertices[a].stateChanged.attach(function(a,b){c.changed.notify(b)});var d=this._getNodeSize(a);this.vertices[a].defaultFormat.args.size=d,this.vertices[a].selected.args.size=d,this.vertices[a].over.args.size=d},NetworkDataSetFormatter.prototype.addEdge=function(a,b){null==b?this.dataset.getEdgeById(a).getNodeSource().getId()==this.dataset.getEdgeById(a).getNodeTarget().getId()?this.edges[a]=new BezierEdgeGraphFormatter(a,this.args.defaultEdgeProperties.defaultFormat,this.args.defaultEdgeProperties.selected,this.args.defaultEdgeProperties.over,this.args.defaultEdgeProperties.dragging):this.edges[a]=new DirectedLineEdgeGraphFormatter(a,this.args.defaultEdgeProperties.defaultFormat,this.args.defaultEdgeProperties.selected,this.args.defaultEdgeProperties.over,this.args.defaultEdgeProperties.dragging):(null==b.type&&(this.edges[a]=new LineEdgeGraphFormatter(a,this.args.defaultEdgeProperties.defaultFormat,this.args.defaultEdgeProperties.selected,this.args.defaultEdgeProperties.over,this.args.defaultEdgeProperties.dragging)),"LineEdgeGraphFormatter"!=b.type&&"LineEdgeNetworkFormatter"!=b.type||(this.edges[a]=new LineEdgeGraphFormatter(a),this.edges[a].loadFromJSON(b)),"DirectedLineEdgeGraphFormatter"!=b.type&&"DirectedLineEdgeNetworkFormatter"!=b.type||(this.edges[a]=new DirectedLineEdgeGraphFormatter(a),this.edges[a].loadFromJSON(b)),"BezierEdgeGraphFormatter"!=b.type&&"BezierEdgeNetworkFormatter"!=b.type||(this.edges[a]=new BezierEdgeGraphFormatter(a),this.edges[a].loadFromJSON(b)),"CutDirectedLineEdgeGraphFormatter"!=b.type&&"CutDirectedLineEdgeNetworkFormatter"!=b.type||(this.edges[a]=new CutDirectedLineEdgeGraphFormatter(a),this.edges[a].loadFromJSON(b)),"DotDirectedLineEdgeGraphFormatter"!=b.type&&"DotDirectedLineEdgeNetworkFormatter"!=b.type||(this.edges[a]=new DotDirectedLineEdgeGraphFormatter(a),this.edges[a].loadFromJSON(b)),"OdotDirectedLineEdgeGraphFormatter"!=b.type&&"OdotDirectedLineEdgeNetworkFormatter"!=b.type||(this.edges[a]=new OdotDirectedLineEdgeGraphFormatter(a),this.edges[a].loadFromJSON(b)),"OdirectedLineEdgeGraphFormatter"!=b.type&&"OdirectedLineEdgeNetworkFormatter"!=b.type||(this.edges[a]=new OdirectedLineEdgeGraphFormatter(a),this.edges[a].loadFromJSON(b)));var c=this;this.edges[a].stateChanged.attach(function(a,b){c.edgeChanged.notify(b)}),this._recalculateSize()},NetworkDataSetFormatter.prototype._setDataset=function(a){this.dataset=a,this.maxClass=a.getMaxClass(),this.minClass=a.getMinClass(),this._attachDatasetEvents()},NetworkDataSetFormatter.prototype.changeEdgeType=function(a,b){"LineEdgeGraphFormatter"!=b&&"LineEdgeNetworkFormatter"!=b||(this.edges[a]=new LineEdgeGraphFormatter(a,this.args.defaultEdgeProperties.defaultFormat,this.args.defaultEdgeProperties.selected,this.args.defaultEdgeProperties.over,this.args.defaultEdgeProperties.dragging)),"DirectedLineEdgeGraphFormatter"!=b&&"DirectedLineEdgeNetworkFormatter"!=b||(this.edges[a]=new DirectedLineEdgeGraphFormatter(a,this.args.defaultEdgeProperties.defaultFormat,this.args.defaultEdgeProperties.selected,this.args.defaultEdgeProperties.over,this.args.defaultEdgeProperties.dragging)),"CutDirectedLineEdgeGraphFormatter"!=b&&"CutDirectedLineEdgeNetworkFormatter"!=b||(this.edges[a]=new CutDirectedLineEdgeGraphFormatter(a,this.args.defaultEdgeProperties.defaultFormat,this.args.defaultEdgeProperties.selected,this.args.defaultEdgeProperties.over,this.args.defaultEdgeProperties.dragging)),"DotDirectedLineEdgeGraphFormatter"!=b&&"DotDirectedLineEdgeNetworkFormatter"!=b||(this.edges[a]=new DotDirectedLineEdgeGraphFormatter(a,this.args.defaultEdgeProperties.defaultFormat,this.args.defaultEdgeProperties.selected,this.args.defaultEdgeProperties.over,this.args.defaultEdgeProperties.dragging)),"OdotDirectedLineEdgeGraphFormatter"!=b&&"OdotDirectedLineEdgeNetworkFormatter"!=b||(this.edges[a]=new OdotDirectedLineEdgeGraphFormatter(a,this.args.defaultEdgeProperties.defaultFormat,this.args.defaultEdgeProperties.selected,this.args.defaultEdgeProperties.over,this.args.defaultEdgeProperties.dragging)),"OdirectedLineEdgeGraphFormatter"!=b&&"OdirectedLineEdgeNetworkFormatter"!=b||(this.edges[a]=new OdirectedLineEdgeGraphFormatter(a,this.args.defaultEdgeProperties.defaultFormat,this.args.defaultEdgeProperties.selected,this.args.defaultEdgeProperties.over,this.args.defaultEdgeProperties.dragging));var c=this;this.edges[a].stateChanged.attach(function(a,b){c.edgeChanged.notify(b)}),c.edgeChanged.notify(this.edges[a])},NetworkDataSetFormatter.prototype.changeNodeType=function(a,b){var c=JSON.parse(JSON.stringify(this.vertices[a].getDefault())),c=(JSON.parse(JSON.stringify(this.vertices[a].getSelected())),JSON.parse(JSON.stringify(this.vertices[a].getDefault()))),c=JSON.parse(JSON.stringify(this.vertices[a].getDefault()));"SquareVertexGraphFormatter"!=b&&"SquareVertexNetworkFormatter"!=b||(this.vertices[a]=new SquareVertexGraphFormatter(a,c,this.args.vertexFormatProperties.selected,this.args.vertexFormatProperties.over,this.args.vertexFormatProperties.dragging)),"CircleVertexGraphFormatter"!=b&&"CircleVertexNetworkFormatter"!=b||(this.vertices[a]=new CircleVertexGraphFormatter(a,c,this.args.vertexFormatProperties.selected,this.args.vertexFormatProperties.over,this.args.vertexFormatProperties.dragging)),"EllipseVertexGraphFormatter"!=b&&"EllipseVertexNetworkFormatter"!=b||(this.vertices[a]=new EllipseVertexGraphFormatter(a,c,this.args.vertexFormatProperties.selected,this.args.vertexFormatProperties.over,this.args.vertexFormatProperties.dragging)),"RectangleVertexGraphFormatter"!=b&&"RectangleVertexNetworkFormatter"!=b||(this.vertices[a]=new RectangleVertexGraphFormatter(a,c,this.args.vertexFormatProperties.selected,this.args.vertexFormatProperties.over,this.args.vertexFormatProperties.dragging)),"RoundedVertexGraphFormatter"!=b&&"RoundedVertexNetworkFormatter"!=b||(this.vertices[a]=new RoundedVertexGraphFormatter(a,c,this.args.vertexFormatProperties.selected,this.args.vertexFormatProperties.over,this.args.vertexFormatProperties.dragging)),"OctagonVertexGraphFormatter"!=b&&"OctagonVertexNetworkhFormatter"!=b||(this.vertices[a]=new OctagonVertexGraphFormatter(a,c,this.args.vertexFormatProperties.selected,this.args.vertexFormatProperties.over,this.args.vertexFormatProperties.dragging));var d=this;this.vertices[a].stateChanged.attach(function(a,b){d.changed.notify(b)}),d.changed.notify(this.vertices[a])},NetworkDataSetFormatter.prototype.dataBind=function(a){this._setDataset(a);for(var b in this.dataset.getVertices())this.addVertex(b);for(var c in this.dataset.getEdges())this.addEdge(c)},NetworkDataSetFormatter.prototype._removeEdge=function(a){delete this.edges[a]},NetworkDataSetFormatter.prototype._removeVertex=function(a){delete this.vertices[a]},NetworkDataSetFormatter.prototype._attachDatasetEvents=function(a){var b=this;this.dataset.vertexDeleted.attach(function(a,c){b._removeVertex(c.getId())}),this.dataset.edgeDeleted.attach(function(a,c){b._removeEdge(c.getId())}),this.dataset.newVertex.attach(function(a,c){b.addVertex(c.getId())}),this.dataset.newEdge.attach(function(a,c){b.addEdge(c.getId())})},NetworkDataSetFormatter.prototype.getVertexById=function(a){return this.vertices[a]},NetworkDataSetFormatter.prototype.getEdgeById=function(a){return this.edges[a]},NetworkDataSetFormatter.prototype.makeLabelsBigger=function(){for(var a in this.vertices){var b=this.vertices[a].getDefault().getFontSize()+2;this.vertices[a].getDefault().setFontSize(b)}},NetworkDataSetFormatter.prototype.makeLabelsSmaller=function(){for(var a in this.vertices){var b=this.vertices[a].getDefault().getFontSize()-2;this.vertices[a].getDefault().setFontSize(b)}},NetworkDataSetFormatter.prototype.resize=function(a,b){this.args.width=a,this.args.height=b,this.resized.notify()},NetworkDataSetFormatter.prototype.getZoomScaleStepFactor=function(){return this.args.zoomScaleStepFactor},NetworkDataSetFormatter.prototype.setZoomScaleStepFactor=function(a){this.args.zoomScaleStepFactor=a},NetworkDataSetFormatter.prototype.getZoomScale=function(){return this.args.zoomScale},NetworkDataSetFormatter.prototype.setZoomScale=function(a){this.args.zoomScale=a},NetworkDataSetFormatter.prototype.getNodesMaxSize=function(){return this.args.nodesMaxSize},NetworkDataSetFormatter.prototype.getNodesMinSize=function(){return this.args.nodesMinSize},NetworkDataSetFormatter.prototype.isVerticesBalanced=function(){return this.args.balanceNodes},NetworkDataSetFormatter.prototype.getWidth=function(){return this.args.width},NetworkDataSetFormatter.prototype.getHeight=function(){return this.args.height},NetworkDataSetFormatter.prototype.getBackgroundImage=function(){return this.args.backgroundImage},NetworkDataSetFormatter.prototype.setBackgroundImage=function(a){this.args.backgroundImage=a,this.backgroundImageChanged.notify(this); -},NetworkDataSetFormatter.prototype.getBackgroundImageWidth=function(){return this.args.backgroundImageWidth},NetworkDataSetFormatter.prototype.setBackgroundImageWidth=function(a){this.args.backgroundImageWidth=a,this.backgroundImageChanged.notify(this)},NetworkDataSetFormatter.prototype.getBackgroundImageHeight=function(){return this.args.backgroundImageHeight},NetworkDataSetFormatter.prototype.setBackgroundImageHeight=function(a){this.args.backgroundImageHeight=a,this.backgroundImageChanged.notify(this)},NetworkDataSetFormatter.prototype.getBackgroundImageX=function(){return this.args.backgroundImageX},NetworkDataSetFormatter.prototype.setBackgroundImageX=function(a){this.args.backgroundImageX=a,this.backgroundImageChanged.notify(this)},NetworkDataSetFormatter.prototype.getBackgroundImageY=function(){return this.args.backgroundImageX},NetworkDataSetFormatter.prototype.setBackgroundImageY=function(a){this.args.backgroundImageY=a,this.backgroundImageChanged.notify(this)},NetworkDataSetFormatter.prototype.getBackgroundColor=function(){return this.args.backgroundColor},NetworkDataSetFormatter.prototype.setBackgroundColor=function(a){this.args.backgroundColor=a,this.backgroundColorChanged.notify(this)},NetworkDataSetFormatter.prototype.getWidth=function(){return this.args.width},NetworkDataSetFormatter.prototype.setWidth=function(a){this.args.width=a},NetworkDataSetFormatter.prototype.getHeight=function(){return this.args.height},NetworkDataSetFormatter.prototype.setHeight=function(a){this.args.height=a},NetworkWidget.prototype.draw=function(a,b,c){this.graphCanvas=new GraphCanvas(this.id,document.getElementById(this.targetId),{labeled:this.label,multipleSelectionEnabled:!1,draggingCanvasEnabled:!1}),this.graphCanvas.draw(a,b,c);var d=this;this.graphCanvas.onVertexOver.attach(function(a,b){d.onVertexOver.notify(b)}),this.graphCanvas.onVertexOut.attach(function(a,b){d.onVertexOut.notify(b)})},NetworkWidget.prototype.selectVertexByName=function(a){var b=this.getDataset().getVertexByName(a);if(null!=b)for(var c in b)if(b.hasOwnProperty(c)){var d=b[c].getId();this.selectVertexById(d)}},NetworkWidget.prototype.selectVerticesByName=function(a){for(var b=0;bg.x&&(c=g.x),dg.y&&(e=g.y)}var h=b-c,i=d-e,j=(c-b)/4,k=a.length,l=[];for(f=0;f0?this.render(_.orderBy(a,["MeasurementToDataCollection_dataCollectionId","MeasurementToDataCollection_dataCollectionOrder"],["desc","desc"])):$("#"+this.id).hide().html("

        No results found

        ").fadeIn("fast")},OverviewQueueGrid.prototype.render=function(a){var b="",c=_.groupBy(a,"MeasurementToDataCollection_dataCollectionId");_.map(a,function(a){a.Subtraction_subtractionId&&(a.urlDownload=EXI.getDataAdapter().saxs.subtraction.getZip(a.Subtraction_subtractionId)),a.Merge_mergeId&&(a.urlSpecific=EXI.getDataAdapter().saxs.frame.downloadFramesByAverageIdList(a.Merge_mergeId))});for(var d in c){var e=_.maxBy(c[d],"MeasurementToDataCollection_dataCollectionOrder");e.Subtraction_subtractionId&&(e.rowSpan=c[d].length,e.scattering=this.getImage(e.Subtraction_subtractionId,"scattering"),e.kratky=this.getImage(e.Subtraction_subtractionId,"kratky"),e.density=this.getImage(e.Subtraction_subtractionId,"density"),e.guinier=this.getImage(e.Subtraction_subtractionId,"guinier"),e.Run_creationDate&&(e.dataReduction=!0)),_.minBy(c[d],"MeasurementToDataCollection_dataCollectionOrder").rowClass="blue-bottom-border-row"}dust.render("overview.queue.grid.test.template",a,function(a,c){b+=c}),$("#"+this.id).html(b),this.attachCallBackAfterRender(document.getElementById("xx"))},OverviewQueueGrid.prototype.getPanel=function(){return{html:'
        ',autoScroll:!0,height:this.height}},PDBViewer.prototype.getTitle=function(){return"
        "+this.title+"
        "},PDBViewer.prototype.getTextAreaId=function(){return this.id+"_src"},PDBViewer.prototype.getCanvas=function(){var a="width:"+this.width+"px; height: "+this.height+"px;display: none;",b="",c="width: "+this.width+"px; height: "+this.height+"px; background-color: black;";return b+"
        "},PDBViewer.prototype.getDownload=function(a,b){var c=BUI.getPdbURL()+"&type="+a+"&abInitioModelId="+b;return html="Download

        ',"
        "+html+"
        "},PDBViewer.prototype.getBar=function(){return"
        "},PDBViewer.prototype.refresh=function(a){var b=this;if(BUI.isWebGLEnabled()){this.models=a,b.panel.setLoading("Rendering");var c=function(a,c){null!=c.models&&null!=c.models[0]&&(document.getElementById(b.getTextAreaId()).innerHTML=c.models[0].XYZ,null==b.glMol?b.glMol=new GLmol(b.id):b.glMol.loadMolecule()),b.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).saxs.model.getPDB(a,[])}else this.webGLNotAvailable()},PDBViewer.prototype.getOpacity=function(a){return"Invisible"==a?"0":"Minimum"==a?"0.2":"Medium"==a?"0.5":"High"==a?"0.7":"1"},PDBViewer.prototype.getMenu=function(a){function b(b,d,e){if(d){var f=null;if("Opacity"==b.group)for(f=0;f"+BUI.getRectangleColorDIV(e,10,10)+""+this.models[d].title+""})}return b.add({xtype:"numberfield",labelWidth:50,width:120,fieldLabel:"Radius",value:3,maxValue:10,step:.2,minValue:.1,listeners:{change:function(b){for(var c=b.getValue(),d=0;d"),b.add(c),b},PDBViewer.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{margin:this.margin,border:0,layout:{type:"vbox"},width:this.width-4,height:this.height+30,items:[{html:this.getCanvas()}],listeners:{afterRender:function(){}}}),this.panel.setLoading("Rendering"),this.panel},PDBViewer.prototype.webGLNotAvailable=function(){document.getElementById(_this.id).innerHTML=BUI.getWarningHTML("Your browser doesn't support WebGL"),document.getElementById(_this.id).innerHTML=document.getElementById(_this.id).innerHTML+"
        ",document.getElementById(_this.id).innerHTML=document.getElementById(_this.id).innerHTML+BUI.getTipHTML("How to enable WebGL"),document.getElementById(_this.id).innerHTML=document.getElementById(_this.id).innerHTML+"
        ",document.getElementById(_this.id).innerHTML=document.getElementById(_this.id).innerHTML+BUI.getTipHTML("Can I use WebGL?")},PDBViewer.prototype.draw=function(a){this.models=a;var b=this;return this.panel=Ext.create("Ext.panel.Panel",{margin:2,layout:{type:"vbox"},tbar:this.getTbar(),width:this.width-4,height:this.height+30,items:[{html:this.getCanvas()}],listeners:{afterRender:function(){b.refresh(a)}}}),this.panel.setLoading("Rendering"),this.panel},SuperpositionPDBViewer.prototype.draw=PDBViewer.prototype.draw,SuperpositionPDBViewer.prototype.getBar=PDBViewer.prototype.getBar,SuperpositionPDBViewer.prototype.getCanvas=PDBViewer.prototype.getCanvas,SuperpositionPDBViewer.prototype.getDownload=PDBViewer.prototype.getDownload,SuperpositionPDBViewer.prototype.getMenu=PDBViewer.prototype.getMenu,SuperpositionPDBViewer.prototype.getOpacity=PDBViewer.prototype.getOpacity,SuperpositionPDBViewer.prototype.getPanel=PDBViewer.prototype.getPanel,SuperpositionPDBViewer.prototype.getTbar=PDBViewer.prototype.getTbar,SuperpositionPDBViewer.prototype.getTextAreaId=PDBViewer.prototype.getTextAreaId,SuperpositionPDBViewer.prototype.getTitle=PDBViewer.prototype.getTitle,SuperpositionPDBViewer.prototype.refresh=PDBViewer.prototype.refresh,SuperpositionPDBViewer.prototype.webGLNotAvailable=PDBViewer.prototype.webGLNotAvailable,SuperpositionPDBViewer.prototype.refresh=function(a){var b=this;if(BUI.isWebGLEnabled()){this.models=a;var c=new BiosaxsDataAdapter;b.panel.setLoading("Rendering"),c.onSuccess.attach(function(a,c){document.getElementById(b.getTextAreaId()).innerHTML=c.XYZ,null==b.glMol?b.glMol=new GLmol(b.id):b.glMol.loadMolecule(),b.panel.setLoading(!1)}),c.onError.attach(function(a,c){b.panel.setLoading("Not available")}),c.getAbinitioPDBContentBySuperpositionList(a)}else this.webGLNotAvailable()},AlignedSuperpositionPDBViewer.prototype.draw=PDBViewer.prototype.draw,AlignedSuperpositionPDBViewer.prototype.getBar=PDBViewer.prototype.getBar,AlignedSuperpositionPDBViewer.prototype.getCanvas=PDBViewer.prototype.getCanvas,AlignedSuperpositionPDBViewer.prototype.getDownload=PDBViewer.prototype.getDownload,AlignedSuperpositionPDBViewer.prototype.getMenu=PDBViewer.prototype.getMenu,AlignedSuperpositionPDBViewer.prototype.getOpacity=PDBViewer.prototype.getOpacity,AlignedSuperpositionPDBViewer.prototype.getPanel=PDBViewer.prototype.getPanel,AlignedSuperpositionPDBViewer.prototype.getTbar=PDBViewer.prototype.getTbar,AlignedSuperpositionPDBViewer.prototype.getTextAreaId=PDBViewer.prototype.getTextAreaId,AlignedSuperpositionPDBViewer.prototype.getTitle=PDBViewer.prototype.getTitle,AlignedSuperpositionPDBViewer.prototype.refresh=PDBViewer.prototype.refresh,AlignedSuperpositionPDBViewer.prototype.webGLNotAvailable=PDBViewer.prototype.webGLNotAvailable,AlignedSuperpositionPDBViewer.prototype.refresh=function(a){var b=this;if(BUI.isWebGLEnabled()){this.models=a,b.panel.setLoading("Rendering PDB");var c=new BiosaxsDataAdapter;c.onError.attach(function(a,b){console.log(a)}),c.onSuccess.attach(function(c,d){var e=d.superpositions[0][a[0]];document.getElementById(b.id).innerHTML="",b.glMol=new GLmol(b.id,!1,!1,e.apriori.data),b.glMol.addSuperpositionXYZ(e.aligned.XYZ,"0xFFFFFF",.3,1);var f=b.glMol.getView();b.glMol.setView(f),b.panel.setLoading(!1)}),null!=a&&0!=a.length&&c.getDataPDB([],a)}else this.webGLNotAvailable()},StructurePDBViewer.prototype.draw=PDBViewer.prototype.draw,StructurePDBViewer.prototype.getBar=PDBViewer.prototype.getBar,StructurePDBViewer.prototype.getCanvas=PDBViewer.prototype.getCanvas,StructurePDBViewer.prototype.getDownload=PDBViewer.prototype.getDownload,StructurePDBViewer.prototype.getMenu=PDBViewer.prototype.getMenu,StructurePDBViewer.prototype.getOpacity=PDBViewer.prototype.getOpacity,StructurePDBViewer.prototype.getPanel=PDBViewer.prototype.getPanel,StructurePDBViewer.prototype.getTbar=PDBViewer.prototype.getTbar,StructurePDBViewer.prototype.getTextAreaId=PDBViewer.prototype.getTextAreaId,StructurePDBViewer.prototype.getTitle=PDBViewer.prototype.getTitle,StructurePDBViewer.prototype.refresh=PDBViewer.prototype.refresh,StructurePDBViewer.prototype.webGLNotAvailable=PDBViewer.prototype.webGLNotAvailable,StructurePDBViewer.prototype.refresh=function(a){var b=this;if(BUI.isWebGLEnabled()){this.models=a,b.panel.setLoading("Rendering");var c=new BiosaxsDataAdapter;c.onSuccess.attach(function(a,c){document.getElementById(b.getTextAreaId()).innerHTML=c;new GLmol(b.id);b.panel.setLoading(!1)}),c.onError.attach(function(a,c){b.panel.setLoading("Not available")}),c.getDataPDB(models,[])}else this.webGLNotAvailable()},QueueGrid.prototype.getSorters=function(){return{}},QueueGrid.prototype.getSelected=function(){return this.selected},QueueGrid.prototype.getSelectedData=function(){for(var a=this.panel.getSelectionModel().selected.items,b=[],c=0;c"+c.innerHTML+""},QueueGrid.prototype.getPercentage=function(a,b){var c=document.createElement("td"),d="green";return null==a&&(a="NA",d="orange"),null==b&&(b="NA",d="orange"),"NA"!=a&"NA"!=b&&(a/b>=.3&&(d="orange"),a/b>.7&&(d="#BCF5A9"),.3>a/b&&(d="red")),c.appendChild(document.createTextNode(a+" / "+b)),c.setAttribute("style","background-color:"+d+";"),c},QueueGrid.prototype.getFramesHTML=function(a){var b=a.data.dataCollectionId,c=document.createElement("table");if(null!=this.key[b]){this.key[b].sort(function(a,b){return b.measurementId-a.measurementId});for(i in this.key[b]){var d=this.key[b][i],e=document.createElement("tr"),f=document.createElement("td");null==d.macromoleculeId?(f.setAttribute("style","width:130px;color:gray;"),f.appendChild(document.createTextNode(d.bufferAcronym))):(f.setAttribute("style","width:130px;font-weight:bold;"),f.appendChild(document.createTextNode(d.macromoleculeAcronym))),e.appendChild(f),e.appendChild(this.getPercentage(d.framesMerge,d.framesCount));var f=document.createElement("td"),g=document.createElement("a");null==d.macromoleculeId?g.setAttribute("href",BUI.getZipURLByAverageId(d.mergeId,d.measurementCode)):g.setAttribute("href",BUI.getZipURLBySubtractionId(d.subtractionId,d.measurementCode)),e.appendChild(f),c.appendChild(e)}}return""+c.innerHTML+"
        "},QueueGrid.prototype.getHTMLTable=function(a){for(var b="",c=0;c"+a[c].key+""+a[c].value+"";return""+b+"
        "},QueueGrid.prototype.getImage=function(a,b){if(null!=a.data.macromoleculeId&&null!=a.data.subtractionId){var c=EXI.getDataAdapter().saxs.subtraction.getImage(a.data.subtractionId,b);return"'}},QueueGrid.prototype.getColumns=function(){var a=this;return[{header:"dataCollectionId",name:"dataCollectionId",dataIndex:"dataCollectionId",flex:1,hidden:!0},{header:"Exp. Id",name:"experimentId",dataIndex:"experimentId",flex:1,hidden:!0},{header:"Exp. Name",name:"name",dataIndex:"name",flex:1,hidden:!0},{header:"MeasurementId",name:"measurementId",dataIndex:"measurementId",hidden:!0,flex:1,renderer:function(a,b,c){return c.raw.measurementId}},{header:"Date",name:"date",flex:1,dataIndex:"runCreationDate",hidden:!0},{header:"Run",flex:.2,name:"runNumber",dataIndex:"measurementCode",renderer:function(b,c,d){return a.getRunHTML(d)}},{header:"Frames (Average/Total)",dataIndex:"macromoleculeId",name:"macromoleculeAcronym",flex:1,hidden:!1,renderer:function(b,c,d){return a.getFramesHTML(d)}},{text:"Scattering",dataIndex:"subtractionId",width:110,name:"subtractionId",renderer:function(b,c,d){return a.getImage(d,"scattering")}},{header:"Macromolecule",name:"macromoleculeAcronym",dataIndex:"macromoleculeAcronym",flex:1,hidden:!0},{header:"Concentration",name:"concentration",flex:.5,dataIndex:"concentration",hidden:!1,renderer:function(a,b,c){return 0!=c.data.concentration?BUI.formatValuesUnits(c.data.concentration,"mg/ml",7,this.decimals):void 0}},{header:"Exp. Temp.",name:"bufferAcronym",dataIndex:"bufferAcronym",flex:.5,renderer:function(a,b,c){return BUI.formatValuesUnits(c.data.exposureTemperature,"C",10,this.decimals)}},{text:"Kratky.",dataIndex:"subtractionId",hidden:!0,flex:1,name:"subtractionId",renderer:function(b,c,d){return a.getImage(d,"kratky")}},{text:"P(r).",hidden:!0,flex:1,dataIndex:"subtractionId",type:"string",renderer:function(b,c,d){return a.getImage(d,"density")}},{text:"Guinier.",hidden:!0,flex:1,dataIndex:"subtractionId",type:"string",renderer:function(b,c,d){return a.getImage(d,"guinier")}},{text:"Guinier",name:"Guinier",flex:.8,dataIndex:"subtractionId",renderer:function(b,c,d){if(null!=d.data.macromoleculeId&&null!=d.data.subtractionId){var e=[];return null!=d.data.rg?e.push({key:"Rg",value:BUI.formatValuesUnits(d.data.rg,"nm",12,this.decimals)}):e.push({key:"Rg",value:"NA"}),null!=d.data.rg?e.push({key:"Points",value:""+d.data.firstPointUsed+" - "+d.data.lastPointUsed+" ("+(d.data.lastPointUsed-d.data.firstPointUsed)+")"}):e.push({key:"Points",value:"NA"}),null!=d.data.I0?e.push({key:"I0",value:BUI.formatValuesErrorUnitsScientificFormat(d.data.I0,d.data.I0Stdev,"")}):e.push({key:"I0",value:"NA"}),a.getHTMLTable(e)}}},{text:"Gnom",name:"Gnom",flex:.7,dataIndex:"subtractionId",renderer:function(b,c,d){if(null!=d.data.macromoleculeId&&null!=d.data.subtractionId){var e=[];return null!=d.data.rgGnom?e.push({key:"Rg",value:BUI.formatValuesUnits(d.data.rgGnom,"nm")}):e.push({key:"Rg",value:"NA"}),null!=d.data.rgGnom?e.push({key:"Total",value:BUI.formatValuesUnits(d.data.total,"")}):e.push({key:"Total",value:"NA"}),null!=d.data.dmax?e.push({key:"Dmax",value:BUI.formatValuesUnits(d.data.dmax,"")+" nm"}):e.push({key:"Dmax",value:"NA"}),a.getHTMLTable(e)}}},{text:"Porod",name:"Porod",flex:1,dataIndex:"subtractionId",renderer:function(b,c,d){if(null!=d.data.macromoleculeId&&null!=d.data.subtractionId){ -var e=[];return null!=d.data.volumePorod?e.push({key:"Volume",value:BUI.formatValuesUnits(d.data.volumePorod,"")+" nm3"}):e.push({key:"Volume",value:"NA"}),null!=d.data.volumePorod?e.push({key:"MM Vol. est.",value:Number(d.data.volumePorod/2).toFixed(1)+" - "+Number(d.data.volumePorod/1.5).toFixed(1)+"kD"}):e.push({key:"MM Vol. est.",value:"NA"}),a.getHTMLTable(e)}}},{text:"Advanced",hidden:!1,id:this.id+"buttonAction",dataIndex:"subtrationId",flex:1,renderer:function(a,b,c){var d="";return d=c.data.abinitioCount>0?d+"":d+"",d=c.data.fitCount>0?d+"":d+"",d=c.data.superposisitionCount>0?d+"":d+"",d=c.data.rigidbodyCount>0?d+"":d+"",d+"
        "+BUI.getGreenButton("Data Reduction",{width:90,height:15})+"
        "+BUI.getGreenButton("Abinitio",{width:90,height:15})+"
        "+BUI.getBlueButton("Abinitio",{width:90,height:15})+"
        "+BUI.getGreenButton("Fit",{width:90,height:15})+"
        "+BUI.getBlueButton("Fit",{width:90,height:15})+"
        "+BUI.getGreenButton("Superposition",{width:90,height:15})+"
        "+BUI.getBlueButton("Superposition",{width:90,height:15})+"
        "+BUI.getGreenButton("Rigid Body",{width:90,height:15})+"
        "+BUI.getBlueButton("Rigid Body",{width:90,height:15})+"
        "}}]},QueueGrid.prototype.load=function(a){null!=a?(this.key={},this.store.loadData(a,!0)):this.store.load()},QueueGrid.prototype.getPanel=function(){var a=this;Ext.ClassManager.isCreated("Queue")||Ext.define("Queue",{extend:"Ext.data.Model",fields:["name","date","volumePorod","runCreationDate","measurementCode","macromoleculeAcronym","bufferAcronym","I0","I0Stdev","acronym","averageFilePath","bufferAverageFilePath","bufferId","bufferOnedimensionalFiles","code","comments","composition","concentration","creationDate","creationTime","dataAcquisitionFilePath","dataCollectionId","discardedFrameNameList","dmax","experimentId","experimentType","exposureTemperature","extintionCoefficient","extraFlowTime","firstPointUsed","flow","frameListId","framesCount","framesMerge","gnomFilePath","gnomFilePathOutput","guinierFilePath","isagregated","kratkyFilePath","lastPointUsed",{name:"macromoleculeId",id:"macromoleculeId"},{name:"measurementId",type:"int"},"mergeId","molecularMass","name","pH","priorityLevelId","proposalId","quality","rg","rgGnom","rgGuinier","rgStdev","runId","safetyLevelId","sampleAverageFilePath","sampleOneDimensionalFiles","samplePlatePositionId","scatteringFilePath","sequence","sessionId","sourceFilePath","specimenId","status","stockSolutionId","substractedFilePath","subtractionId","total","transmission","viscosity","volume","volumeToLoad","waitTime","reference","refined","fitCount","superposisitionCount","rigidbodyCount","abinitioCount"]}),this.store=Ext.create("Ext.data.Store",{model:"Queue",data:[],filters:this.filters,listeners:{beforeload:function(){return a.key={},!0},load:function(a,b){}},proxy:{type:"memory",reader:{type:"json"}}});var b=Ext.create("Ext.selection.RowModel",{allowDeselect:!0,mode:this.selectionMode,listeners:{selectionchange:function(b,c){a.selected=a.getSelectedData(),a.onSelectionChange.notify(a.selected)},select:function(b,c){a.onSelect.notify(c.data)},deselect:function(b,c){a.onDeselect.notify(c.data)}}});return this.panel=Ext.create("Ext.grid.Panel",{title:this.title,border:!0,cls:"defaultGridPanel",maxHeight:this.maxHeight,overflow:"auto",margin:5,store:this.store,columns:this.getColumns(),allowDeselect:!0,selModel:b,collapsible:this.collapsible,collapsed:this.collapsed,viewConfig:{enableTextSelection:!0,preserveScrollOnRefresh:!0,stripeRows:!0,rowLines:!0,listeners:{cellclick:function(b,c,d,e,f,g,h,i){"Data Reduction"==h.target.defaultValue&&(location.hash="/saxs/datacollection/dataCollectionId/"+e.data.dataCollectionId+"/primaryviewer"),"Abinitio"==h.target.defaultValue&&a.onAbinitioButtonClicked(e.raw),"Fit"==h.target.defaultValue&&a.onFitButtonClicked(e.raw),"Superposition"==h.target.defaultValue&&a.onSuperpositionButtonClicked(e.raw),"Rigid Body"==h.target.defaultValue&&a.onRigidBodyButtonClicked(e.raw)}}}}),this.panel},QueueGrid.prototype.onDataReductionButtonClicked=function(a){var b=new DataAdapter,c=new DataReductionForm({});Ext.create("Ext.window.Window",{title:"Data Reduction",height:540,width:1e3,modal:!0,items:[c.getPanel()]}).show(),c.panel.setLoading(),b.onSuccess.attach(function(a,b){c.refresh(b),c.panel.setLoading(!1)}),b.getSubtractionsBySubtractionIdList([a.subtractionId])},QueueGridTest.prototype.getPercentage=QueueGrid.prototype.getPercentage,QueueGridTest.prototype.getImage=QueueGrid.prototype.getImage,QueueGridTest.prototype.parseDataById=QueueGrid.prototype.parseDataById,QueueGridTest.prototype.attachCallBackAfterRender=QueueGrid.prototype.attachCallBackAfterRender,QueueGridTest.prototype.load=function(a){var b=this;this.setLoading();try{if(a.experimentId){var c=function(a,c){null!=c&&(b.dataByDataCollectionId=b.parseDataById(c),b.store.loadData(_.keys(_.keyBy(c,"dataCollectionId")),!0),b.attachCallBackAfterRender(document.getElementById(b.id+"-body").childNodes[0])),b.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).saxs.dataCollection.getDataCollectionsByExperimentId(a.experimentId)}else this.dataByDataCollectionId=this.parseDataById(a),this.store.loadData(_.keys(_.keyBy(a,"dataCollectionId")),!0),b.attachCallBackAfterRender(),b.setLoading(!1)}catch(d){console.log(d)}},QueueGridTest.prototype.getPanel=function(a){return this.panel=Ext.create("Ext.grid.Panel",{id:this.id,border:1,store:this.store,disableSelection:!0,columns:this.getColumns(),viewConfig:{enableTextSelection:!0,stripeRows:!1}}),this.panel},QueueGridTest.prototype.setLoading=function(a){this.panel.setLoading(a)},QueueGridTest.prototype.filter=function(a,b){var c=_.filter(this.dataByDataCollectionId,function(a){return a[0].bufferAcronym==b});this.store.loadData(_.keys(_.keyBy([].concat.apply([],c),"dataCollectionId")))},QueueGridTest.prototype.getColumns=function(){var a=this,b=[{dataIndex:"experiment",name:"experiment",flex:1.5,hidden:!1,renderer:function(b,c,d){var e=d.data,f=a.dataByDataCollectionId[e],g="",h=[],i=f[0].exposureTemperature+" C",j="NA",k="NA";null!=f[0].rg&&(j=Number(f[0].rg).toFixed(a.decimals),k=f[0].firstPointUsed+" - "+f[0].lastPointUsed+" ("+(f[0].lastPointUsed-f[0].firstPointUsed)+")");var l="NA";if(null!=f[0].I0)var l=Number(f[0].I0).toFixed(a.decimals-2),m=Number(Number(f[0].I0Stdev).toFixed(a.decimals)).toExponential();var n="NA";null!=f[0].rgGnom&&(n=Number(f[0].rgGnom).toFixed(a.decimals));var o="NA";null!=f[0].total&&(o=Number(f[0].total).toFixed(a.decimals));var p="NA";null!=f[0].dmax&&(p=Number(f[0].dmax).toFixed(a.decimals));var q="NA",r="NA";null!=f[0].volumePorod&&(q=Number(f[0].volumePorod).toFixed(a.decimals),r=Number(f[0].volumePorod/2).toFixed(1)+" - "+Number(f[0].volumePorod/1.5).toFixed(1));for(var s="",t="",u="",v="",w="",x=0;x0)for(var c in a){var d=a[c];if(null!=d.rigidBodyModeling3VOs)for(var e in d.rigidBodyModeling3VOs)b.push(d.rigidBodyModeling3VOs[e])}this.store.loadData(b)},RigidModelGrid.prototype.getPanel=function(){return this.store=Ext.create("Ext.data.Store",{fields:["symmetry","subtractionId","subUnitConfigFilePath","rigidBodyModelingId","rigidBodyModelFilePath","logFilePath","fitFilePath","curveConfigFilePath","crossCorrConfigFilePath","contactDescriptionFilePath"],data:[]}),this.store.sort([{property:"name",direction:"ASC"}]),this.panel=Ext.create("Ext.grid.Panel",{store:this.store,width:this.width,height:this.height,margin:10,deferredRender:!1,columns:[{text:"RBM",dataIndex:"rigidBodyModelFilePath",hidden:!1,flex:1,renderer:function(a){return BUI.getFileName(a)}},{text:"Sub Unit Conf.",dataIndex:"subUnitConfigFilePath",hidden:!0,flex:1,renderer:function(a){return BUI.getFileName(a)}},{text:"Log",dataIndex:"logFilePath",hidden:!0,flex:1,renderer:function(a){return BUI.getFileName(a)}},{text:"Fit",dataIndex:"fitFilePath",hidden:!1,flex:1,renderer:function(a){return BUI.getFileName(a)}},{text:"Curve Conf.",dataIndex:"curveConfigFilePath",hidden:!1,flex:1,renderer:function(a){return BUI.getFileName(a)}},{text:"Cross Corr.",dataIndex:"crossCorrConfigFilePath",hidden:!1,flex:1,renderer:function(a){return BUI.getFileName(a)}},{text:"Contact Desc.",dataIndex:"contactDescriptionFilePath",hidden:!0,flex:1,renderer:function(a){return BUI.getFileName(a)}}],viewConfig:{enableTextSelection:!0,preserveScrollOnRefresh:!0},listeners:{cellclick:function(a,b,c,d,e,f,g,h){},afterrender:function(){}}}),this.panel},RigidBodyModelingForm.prototype.openUploadManager=function(a){var b=this,c=new UploaderWidget(a);c.onUploaded.attach(function(a){b.panel.setLoading(),EXI.proposalManager.get(!0),b.load(EXI.proposalManager.getMacromoleculeById(b.macromolecule.macromoleculeId)),b.panel.setLoading(!1)}),c.show()},RigidBodyModelingForm.prototype._getItems=function(){var a=this;return[{xtype:"label",forId:"myFieldId",text:"Information for model fit, mixture analysis and rigid body modeling",margin:"15 0 20 10",cls:"inline-help"},this.rigidBodyGrid.getPanel(),{xtype:"label",forId:"myFieldId",text:"Distance restraints may be imposed on the model using contacts conditions file (OPTIONAL)",margin:"25 0 5 10",cls:"inline-help"},{xtype:"container",layout:"hbox",items:[{xtype:"container",border:!1,layout:"hbox",items:[{xtype:"label",forId:"myFieldId",text:"Contact Description File: (Optional)",width:150,margin:"10 0 0 10"},{id:this.id+"contactsDescriptionFilePath",xtype:"textfield",hideLabel:!0,margin:"10 0 0 0",width:400},{text:"Upload",xtype:"button",margin:"10 0 0 10",width:80,handler:function(){a.openUploadManager(EXI.getDataAdapter().saxs.macromolecule.getContactDescriptionUploadFileURL(a.macromolecule.macromoleculeId))}},{text:"Remove",id:a.id+"_remove",xtype:"button",margin:"10 0 0 10",width:80,handler:function(){a.panel.setLoading(!0);var b=function(){EXI.proposalManager.get(!0),a.load(EXI.proposalManager.getMacromoleculeById(a.macromolecule.macromoleculeId)),a.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:b}).saxs.macromolecule.removeContactDescriptionFile(a.macromolecule.macromoleculeId)}}]}]},{xtype:"panel",html:"Go to SASREF manual for further information",margin:"10 0 0 160",border:0}]},RigidBodyModelingForm.prototype._update=function(a,b,c){var d=this;BIOSAXS.proposal.onInitialized.attach(function(){null!=BIOSAXS.proposal&&(d.refresh(BIOSAXS.proposal.getMacromoleculeById(d.macromolecule.macromoleculeId)),d.panel.setLoading(!1))}),this.panel.setLoading(),BIOSAXS.proposal.init()},RigidBodyModelingForm.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.form.Panel",{width:this.width,height:this.height,cls:"border-grid",defaultType:"textfield",items:this._getItems(),padding:20,listeners:{afterrender:function(){a._populate()}}}),this.panel},RigidBodyModelingForm.prototype._populate=function(){null!=this.macromolecule&&null!=Ext.getCmp(this.id+"contactsDescriptionFilePath")&&(null!=this.macromolecule.contactsDescriptionFilePath?(Ext.getCmp(this.id+"contactsDescriptionFilePath").setValue(this.macromolecule.contactsDescriptionFilePath),Ext.getCmp(this.id+"_remove").enable()):(Ext.getCmp(this.id+"_remove").disable(),Ext.getCmp(this.id+"contactsDescriptionFilePath").setValue("")))},RigidBodyModelingForm.prototype.load=function(a){this.macromolecule=a,this.rigidBodyGrid.load(a),this._populate()},RigidBodyModelingForm.prototype.input=function(){return{}},RigidBodyModelingForm.prototype.test=function(a){var b=new RigidBodyModelingForm,c=b.getPanel();c.render(a)},SamplePlateGroupWidget.prototype.drawPlate=function(a,b,c){var d=this,e=new SamplePlateWidget({width:this.width/3-5,height:this.heightPlates+10,nodeSize:this.nodeSize,fontSize:8,strokeWidth:1.5,enableClick:!1});this.isVerticalLayout()&&(e.width=this.width-15,e.height=this.heightPlates-10),e.draw(a,b,c),e.onNodeSelected.attach(function(a,b){d.onClick.notify({samplePlate:b.samplePlate,row:b.node.row,column:b.node.column})}),this.samplePlateWidgets.push(e)},SamplePlateGroupWidget.prototype.drawPlates=function(a){if(a)for(var b=a.getPlateGroups(),c=0;cb&&(b=e));var f=a[d].slotPositionColumn;null!=f&&(f=parseFloat(f),f>c&&(c=f))}return{maxSlotPositionRow:parseFloat(b),maxSlotPositionColumn:parseFloat(c)}},SamplePlateGroupWidget.prototype.isVerticalLayout=function(){return!0},SamplePlateGroupWidget.prototype.getPlateBySlotPosition=function(a,b,c){if(null!=a)for(var d=0;dSelect a plate:'),this.experiment){var g=this.experiment.getSamplePlates();g.sort(function(a,b){return a.slotPositionColumn-b.slotPositionColumn});for(var h=0;h "+g[h].platetype3VO.name+"",handler:c})}return Ext.create("Ext.button.Split",{text:"Auto Fill",handler:a,tooltip:{text:"This will fill, if there is place, the specimens in the plate",title:"Auto Fill"},menu:{items:f}})},SamplePlateGroupWidget.prototype._getZoomButton=function(){function a(a){Ext.create("Ext.window.Window",{title:b.experiment.getSamplePlateById(a.samplePlateId).platetype3VO.name,height:600,width:900,layout:"fit",modal:!0,listeners:{afterrender:function(){var c=new SamplePlateWidget({width:880,height:560,nodeSize:4,fontSize:0,strokeWidth:1.5,showLabels:!0,backgroundColor:"#FFFFFF"});c.draw(b.experiment,b.experiment.getSamplePlateById(a.samplePlateId),"plateZoom")}},items:[{html:'
        ',padding:5}]}).show()}var b=this,c=[];if(this.experiment){var d=this.experiment.getSamplePlates();d.sort(function(a,b){return a.slotPositionColumn-b.slotPositionColumn}),c.push('Select a plate:');for(var e=0;e "+d[e].platetype3VO.name+"",handler:a})}return Ext.create("Ext.button.Split",{text:"Zoom In",tooltip:{text:"This will show a plate bigger",title:"Zoom In Action"},menu:{items:c}})},SamplePlateGroupWidget.prototype._getEmptyButton=function(){function a(){}function b(a){if("yes"==a){var b=e.samplePlateId,c=new BiosaxsDataAdapter;d.panel.setLoading("ISPyB: Saving Plate"),c.onSuccess.attach(function(a,b){d.onExperimentChanged.notify(b),d.panel.setLoading(!1)}),c.onError.attach(function(a){alert("error"),d.panel.setLoading(!1)}),c.emptyPlate(b,d.experiment.experimentId)}}function c(a){e=a,Ext.MessageBox.confirm("Confirm",'Are you sure you want to empty "'+d.experiment.getSamplePlateById(e.samplePlateId).platetype3VO.name+'" plate?',b)}var d=this,e=null,f=[];if(this.experiment){var g=this.experiment.getSamplePlates();g.sort(function(a,b){return a.slotPositionColumn-b.slotPositionColumn}),f.push('Select a plate:');for(var h=0;h "+g[h].platetype3VO.name+"",handler:c})}return Ext.create("Ext.button.Split",{text:"Empty",handler:a,tooltip:{text:"This will empty the specimen of a plate. It will NOT remove the specimen but will removed their position",title:"Empty Action"},menu:{items:f}})},SamplePlateGroupWidget.prototype._getPlateTypes=function(){function a(){}function b(a){if("yes"==a){var b=e.samplePlateId,c=e.plateTypeId,f=BIOSAXS.proposal.getPlateTypeById(c),g=d.experiment.getSamplePlateById(b);g.platetype3VO=f;var b=e.samplePlateId,h=new BiosaxsDataAdapter;d.panel.setLoading("ISPyB: Saving Plate"),h.onSuccess.attach(function(a,b){d.onExperimentChanged.notify(b),d.panel.setLoading(!1)}),h.onError.attach(function(a){alert("error"),d.panel.setLoading(!1)}),h.savePlates([g],d.experiment.experimentId)}}function c(a){e=a;var c=a.samplePlateId,f=a.plateTypeId;d.experiment.getSamplePlateById(c).platetype3VO.plateTypeId!=f&&Ext.MessageBox.confirm("Confirm",'Are you sure you want to change the type of "'+d.experiment.getSamplePlateById(e.samplePlateId).platetype3VO.name+'" plate?',b)}var d=this,e=null,f=[];f.push('Select an EMPTY plate:');var g=[];null!=this.experiment&&(g=this.experiment.getSamplePlates()),g.sort(function(a,b){return a.slotPositionColumn-b.slotPositionColumn});for(var h=ProposalManager.getPlateTypes(),i=0;i "+j.platetype3VO.name+"",disabled:d.experiment.getSpecimensBySamplePlateId(j.samplePlateId).length>0,menu:{items:k}})}return Ext.create("Ext.button.Split",{text:"Plate Types",handler:a,tooltip:{text:"This will change the type of a plate.",title:"Change plate type"},menu:{items:f}})},SamplePlateGroupWidget.prototype.getBbar=function(a){var b=this;return this.bbar?Ext.create("Ext.toolbar.Toolbar",{id:b.id+"bbar",dock:"bottom",items:[this._getPlateTypes(),"-",this._getAutoFillButton(),this._getEmptyButton(),"-",this._getZoomButton()]}):null},SamplePlateGroupWidget.prototype.getPanel=function(){var a=this,b=this.id+"_container";return this.panel=Ext.create("Ext.panel.Panel",{title:this.title,bbar:this.getBbar(),height:this.height,width:this.width,border:this.border,items:[{border:0,height:this.height,id:b,html:"
        "}]}),this.panel.on("afterrender",function(){document.getElementById(b).innerHTML=a.getPlatesContainer(a.experiment),a.drawPlates(a.experiment),a._refreshBbar()}),this.panel},SamplePlateWidget.prototype.clear=function(a,b,c){null!=document.getElementById(this.targetId)&&(document.getElementById(this.targetId).innerHTML="")},SamplePlateWidget.prototype.load=function(a){for(var b=0;b0&&null!=c.measurements[0].run3VO.runId&&$("#"+this.id+"-square-"+c.sampleplateposition3VO.rowNumber+"-"+c.sampleplateposition3VO.columnNumber).attr("visibility","visible")}}},SamplePlateWidget.prototype.draw=function(a,b,c,d){this.onVertexUp=new Event(this),this.samplePlate=b,this.experiment=a,this.targetId=c,$("#"+this.targetId).append("
        ");var e=this.samplePlate.platetype3VO.rowCount,f=this.samplePlate.platetype3VO.columnCount,g={"fill-opacity":1,fill:this.wellColor,"stroke-width":this.strokeWidth,"stroke-opacity":1,stroke:"#000000",size:this.nodeSize,title:{fontSize:this.fontSize,fill:"#000000"},labeled:!1,height:this.height,width:this.width,right:this.width,backgroundColor:this.backgroundColor,balanceNodes:!1,nodesMaxSize:12,nodesMinSize:2};this.nodes=[];var h=[],i=10,j=Math.min((this.width-i)/f,(this.height-i)/e)/2;j=Math.min(j,g.nodesMaxSize),j=Math.max(j,g.nodesMinSize);for(var k=(this.width-i-2*j*f)/(f+1),l=(this.height-i-2*j*e)/(e+1),m=1;e>=m;m++)for(var n=1;f>=n;n++){var o=.8;" 4 x ( 8 + 3 ) Block"==this.samplePlate.platetype3VO.name&&(o=n>=9?1:.6);var p=Math.min(k,l)+2*j*o;if(this.nodes.push({nodeId:this.id+"-node-"+m+"-"+n,squareId:this.id+"-square-"+m+"-"+n,radius:j*o,x:i/2+(n-1)*(2*j+k)+j+k,y:i/2+(m-1)*(2*j+l)+j+l,row:m,column:n,xSquare:i/2+(n-1)*(2*j+k)+j+k-p/2,ySquare:i/2+(m-1)*(2*j+l)+j+l-p/2,squareSide:p}),1==n){var q=["A","B","C","D","E","F","G","H"][m-1];h.push({text:q,x:Math.max(k,j)/2,y:i/2+(m-1)*(2*j+l)+j+l+this.fontSize/2})}m==e&&h.push({text:n,x:i/2+(n-1)*(2*j+k)+j+k,y:this.height})}var r={id:this.id,nodes:this.nodes,text:h,formatter:g,enableClick:this.enableClick},s="";dust.render("sample.plate.template",r,function(a,b){s+=b}),$("#"+this.targetId+"-div-svg").html(s),this.enableClick&&this.attachClickListeners(),this.load(this.experiment)},SamplePlateWidget.prototype.attachClickListeners=function(a,b){for(var c=this,d=0;d0&&this.addOkIcon(b*this.network.graphCanvas.getWidth(),c*this.network.graphCanvas.getHeight(),d,a)},SamplePlateWidget.prototype.getSpecimenBufferColorFromSampleSpecimenId=function(a){var b=this.experiment.getDataCollectionsBySpecimenId(a);if(b.length>0)for(var c=b[0],d=0;d10&&(i=i.slice(0,10)+"..."),SVG.drawText(f*this.network.graphCanvas.getWidth()-this.nodeSize-10,g*this.network.graphCanvas.getHeight()+3*this.nodeSize+20,i,this.network.graphCanvas._svg,[["font-size","xx-small"],["fill","black"]]),SVG.drawText(f*this.network.graphCanvas.getWidth()-this.nodeSize-10,g*this.network.graphCanvas.getHeight()+3*this.nodeSize+35,Number(c.concentration).toFixed(2)+" mg/ml",this.network.graphCanvas._svg,[["font-size","xx-small"],["fill","black"]])}var j=this.experiment.getBufferById(c.bufferId).acronym;j.length>10&&(j=j.slice(0,10)+"..."),SVG.drawText(f*this.network.graphCanvas.getWidth()-this.nodeSize-10,g*this.network.graphCanvas.getHeight()+3*this.nodeSize+5,this.experiment.getBufferById(c.bufferId).acronym,this.network.graphCanvas._svg,[["font-size","xx-small"],["fill","blue"]])}if(this.showTooltip)var e=this.network.getGraphCanvas().getSVGNodeId(d.id)}},SamplePlateWidget.prototype._getToolTipContent=function(a){var b="";return b=b+"",b+="",b=b+"",null!=a.macromolecule3VO&&(b=b+"",b=b+""),b=b+"",null!=a.viscosity&&(b=b+""),b+="
        Specimen "+a.code+"
        Buffer: "+this.experiment.getBufferById(a.bufferId).name+"
        Macromolecule: "+a.macromolecule3VO.acronym+"
        Concentration: "+a.concentration+"
        Volume: "+a.volume+"
        Viscosity: "+a.viscosity+"
        "},SamplePlateWidget.prototype.fillSimulator=function(a){for(var b=0;bk;k++)for(var l=0;c>l;l++)y=k*h+d,x=l*i+f,j.push({x:x,y:y});var m=0;for(var n in a.getDataset().getVertices())null==a.getLayout().vertices[n]&&(this.vertices[n]=new NodeLayout(n,0,0)),a.getLayout().vertices[n].setCoordinates(j[m].x,j[m].y),m++,a.getLayout().vertices[n].changed.attach(function(a,b){_this.changed.notify(b)})},SamplePlateWidget.prototype.circleRelayout=function(a,b,c){a.getLayout().getLayout("CIRCLE")},SamplesGrid.prototype.load=function(a){try{this.crystal=a,this.loadSampleList()}catch(b){EXI.setError(b)}},SamplesGrid.prototype.loadSampleList=function(){function a(a,c){b.store.loadData(c),b.panel.setLoading(!1)}var b=this;this.panel.setLoading(),EXI.getDataAdapter({onSuccess:a}).mx.sample.getSampleInfoByCrystalId(this.crystal.crystalId)},SamplesGrid.prototype.getByCrystalId=function(a){for(var b=0;b":"",e+=c.data.crystalVO.CellAlpha?Number(c.data.crystalVO.CellAlpha).toFixed(d)+", ":"",e+=c.data.crystalVO.CellBeta?Number(c.data.crystalVO.CellBeta).toFixed(d)+", ":"",e+=c.data.crystalVO.CellGamma?Number(c.data.crystalVO.CellGamma).toFixed(d):""}return""}},{text:"Protein",dataIndex:"proteinAcronym",flex:.1,renderer:function(a,b,c){return c.data.crystalVO.proteinVO.acronym}}]}),this.panel},SpecimenGrid.prototype._prepareData=function(a){for(var b=[],c=a.getSamples(),d=0;d=b;b++)a.push({rowNumber:b,name:BUI.getSamplePlateLetters()[b-1]});var c=Ext.create("Ext.data.Store",{fields:["rowNumber","name"],data:a});return Ext.create("Ext.form.ComboBox",{store:c,queryMode:"local",displayField:"name",valueField:"rowNumber"})},SpecimenGrid.prototype._getColumnCombo=function(){for(var a=[],b=1;12>=b;b++)a.push({columnNumber:b});var c=Ext.create("Ext.data.Store",{fields:["columnNumber"],data:a});return Ext.create("Ext.form.ComboBox",{store:c,queryMode:"local",displayField:"columnNumber",valueField:"columnNumber"})},SpecimenGrid.prototype._getSlotColumBombo=function(){if(this.experiment){for(var a=this.experiment.getSamplePlates().length,b=[],c=1;a>=c;c++)b.push({slotPositionColumn:c});var d=Ext.create("Ext.data.Store",{fields:["slotPositionColumn"],data:b});return Ext.create("Ext.form.ComboBox",{store:d,queryMode:"local",displayField:"slotPositionColumn",valueField:"slotPositionColumn"})}},SpecimenGrid.prototype.getPanelByExperiment=function(a){this.experiment=a;var b=this._prepareData(a);return this.getPanel(b)},SpecimenGrid.prototype.refresh=function(a){this.experiment=a;var b=this._prepareData(a);this.store.loadData(b)},SpecimenGrid.prototype.getPanel=function(){var a=this;this.store=Ext.create("Ext.data.Store",{fields:["buffer","bufferId","code","macromolecule","acronym","macromoleculeId","concentration","volume","samplePlateId","slotPositionColumn","rowNumber","columnNumber","groupIndex"],data:[],groupField:"acronym"}),this.store.sort([{property:"concentration",direction:"ASC"},{property:"buffer",direction:"ASC"}]);var b=Ext.create("Ext.selection.RowModel",{allowDeselect:!0,listeners:{select:function(b,c,d,e){a.onSelected.notify([c.data])}}}),c=[];return this.grouped&&c.push({ftype:"grouping",groupHeaderTpl:"{name}",hideGroupedHeader:!1,startCollapsed:!1,id:"myGroupedStore"}),this.grid=Ext.create("Ext.grid.Panel",{title:this.title,height:this.height,width:this.width,selModel:b,store:this.store,features:c,margin:this.margin,plugins:this.getPlugins(),cls:"border-grid",columns:[{text:"",dataIndex:"macromolecule",width:20,renderer:function(b,c,d){var e=null;return e=null!=d.data.macromolecule3VO?d.data.macromolecule3VO.macromoleculeId:d.data.macromoleculeId,null!=e?BUI.getRectangleColorDIV(a.experiment.macromoleculeColors[e],10,10):void 0}},{text:"Macromolecule",dataIndex:"macromolecule",width:100},{text:"",dataIndex:"buffer",width:20,renderer:function(b,c,d){var e="black";return null!=d.data.bufferId?(null!=a.experiment.getDataCollectionsBySpecimenId(d.data.specimenId)[0]&&(e=a.experiment.getSpecimenColorByBufferId(a.experiment.getMeasurementById(a.experiment.getDataCollectionsBySpecimenId(d.data.specimenId)[0].measurementtodatacollection3VOs[0].measurementId).specimenId)),BUI.getRectangleColorDIV(e,10,10)):void 0}},{text:"Buffer",dataIndex:"bufferId",width:140,editor:BIOSAXS_COMBOMANAGER.getComboBuffers(EXI.proposalManager.getBuffers(),{noLabel:!0,width:300}),renderer:function(a,b,c){return null!=c.data.bufferId?EXI.proposalManager.getBufferById(a).acronym:void 0}},{text:"Conc.",dataIndex:"concentration",width:100,editor:{allowBlank:!1},renderer:function(a,b,c){return isNaN(a)?(b.tdCls="yellow-cell",a):0!=a?BUI.formatValuesUnits(a,"mg/ml",{fontSize:16,decimals:3,unitsFontSize:this.unitsFontSize}):void 0}},{text:"Vol. Well",dataIndex:"volume",width:70,editor:{allowBlank:!0},renderer:function(a,b,c){return BUI.formatValuesUnits(c.data.volume,"µl",{fontSize:12,decimals:2,unitsFontSize:this.unitsFontSize})}},{text:"Position",hidden:!0,flex:1,renderer:function(b,c,d){return BUI.getSamplePositionHTML(d.data,a.experiment)}},{text:"samplePlateId",dataIndex:"samplePlateId",hidden:!0},{text:"Plate",hidden:this.isPositionColumnHidden,dataIndex:"slotPositionColumn",editor:a._getSlotColumBombo(),flex:1,renderer:function(a,b,c){return null!=a&""!=a?a:void(b.tdCls="yellow-cell")}},{text:"Row",hidden:this.isPositionColumnHidden,dataIndex:"rowNumber",editor:this._getRowCombo(),flex:1,renderer:function(a,b,c){return null!=a&&""!=a?BUI.getSamplePlateLetters()[a-1]:void(b.tdCls="yellow-cell")}},{text:"Well",hidden:this.isPositionColumnHidden,dataIndex:"columnNumber",editor:this._getColumnCombo(),flex:1,renderer:function(a,b,c){return null!=a&&""!=a?a:void(b.tdCls="yellow-cell")}},{id:a.id+"buttonEditSample",text:"Edit",width:80,sortable:!1,hidden:!a.editEnabled,renderer:function(b,c,d,e,f,g){return a.editEnabled?BUI.getGreenButton("EDIT"):void 0}},{id:a.id+"buttonRemoveSample",text:"",hidden:!a.removeBtnEnabled,width:100,sortable:!1,renderer:function(b,c,d,e,f,g){return a.removeBtnEnabled?BUI.getRedButton("REMOVE"):void 0}}],viewConfig:{preserveScrollOnRefresh:!0,stripeRows:!0,getRowClass:function(b){var c=a.experiment.getSampleByPosition(b.data.samplePlateId,b.data.rowNumber,b.data.columnNumber);return c.length>1?"red-row":void 0},listeners:{selectionchange:function(b,c){a.onClick.notify(record.data)},cellclick:function(b,c,d,e,f){b.getGridColumns()[d].getId()==a.id+"buttonEditSample",b.getGridColumns()[d].getId()==a.id+"buttonRemoveSample"&&(b.getStore().removeAt(rowIndex),a.onRemoved.notify())}}}}),this.grid},SpecimenGrid.prototype.input=function(){return{experiment:DATADOC.getExperiment_10(),proposal:DATADOC.getProposal_10()}},SpecimenGrid.prototype.test=function(a){var b=new SpecimenGrid({height:400,maxHeight:400,width:1e3});BIOSAXS.proposal=new Proposal(b.input().proposal);var c=new Experiment(b.input().experiment),d=b.getPanelByExperiment(c);d.render(a)},SpecimenWidget.prototype.getContainerLayoutConfiguration=function(a){this.samplePlateGroupWidget.getDimensions(a.getSamplePlates());return{layout:"hbox",samplePlateGroupWidth:1*this.width/3-10,samplePlateGroupHeight:this.height-10,specimenGridWidth:2*this.width/3,specimenGridHeight:this.height-10}},SpecimenWidget.prototype.load=function(a){this.experiment=a,this.panel.removeAll();var b=this.getContainerLayoutConfiguration(a);this.specimenGrid.width=b.specimenGridWidth,this.specimenGrid.height=b.specimenGridHeight,this.samplePlateGroupWidget.width=b.samplePlateGroupWidth,this.samplePlateGroupWidget.height=b.samplePlateGroupHeight,"hbox"==b.layout&&(this.specimenGrid.margin="0 0 0 5",this.specimenGrid.width=this.specimenGrid.width-5);var c=Ext.create("Ext.container.Container",{layout:b.layout,height:this.height,width:this.width,padding:"2px",items:[]});"vbox"==b.layout?(c.insert(this.specimenGrid.getPanel()),c.insert(this.samplePlateGroupWidget.getPanel())):(c.insert(this.samplePlateGroupWidget.getPanel()),c.insert(this.specimenGrid.getPanel())),this.panel.insert(c),this.specimenGrid.refresh(a),this.samplePlateGroupWidget.refresh(a)},SpecimenWidget.prototype.getPanel=function(){return this.panel=Ext.create("Ext.container.Container",{layout:"vbox",height:this.height,border:0,margin:5,width:this.width,items:[]}),this.panel},StockSolutionForm.prototype._getButtons=function(){var a=this;return[{text:"Save",handler:function(){var b=function(b,c){a.panel.setLoading(!1),a.onSaved.notify()};return null==a.getStockSolution().bufferId?void BUI.showError("Buffer field is mandatory"):""==a.getStockSolution().name?void BUI.showError("Acronym field is mandatory"):""==a.getStockSolution().concentration?void BUI.showError("Concentration field is mandatory"):""==a.getStockSolution().volume?void BUI.showError("Volume field is mandatory"):(a.panel.setLoading("ISPyB: saving stock solution"),void EXI.getDataAdapter({onSuccess:b}).saxs.stockSolution.saveStockSolution(a.getStockSolution()))}}]},StockSolutionForm.prototype.getStockSolution=function(){return null==this.stockSolution?{concentration:Ext.getCmp(this.id+"stockSolution_concentration").getValue(),storageTemperature:this.storageLocationComboBox.getValue(),volume:Ext.getCmp(this.id+"stockSolution_volume").getValue(),comments:Ext.getCmp(this.id+"stockSolution_comments").getValue(),name:Ext.getCmp(this.id+"stockSolution_name").getValue(),bufferId:this.bufferCombo.getValue(),macromoleculeId:this.macromoleculeCombo.getValue(),proposalId:Ext.getCmp("proposalIdCombo").getValue()}:(this.stockSolution.concentration=Ext.getCmp(this.id+"stockSolution_concentration").getValue(),this.stockSolution.storageTemperature=this.storageLocationComboBox.getValue(),this.stockSolution.volume=Ext.getCmp(this.id+"stockSolution_volume").getValue(),this.stockSolution.comments=Ext.getCmp(this.id+"stockSolution_comments").getValue(),this.stockSolution.name=Ext.getCmp(this.id+"stockSolution_name").getValue(),this.stockSolution.proposalId=Ext.getCmp("proposalIdCombo").getValue(),this.stockSolution.bufferId=this.bufferCombo.getValue(),null!=this.macromoleculeCombo.getValue()?this.stockSolution.macromoleculeId=this.macromoleculeCombo.getValue():this.stockSolution.macromolecule3VO=null,this.stockSolution)},StockSolutionForm.prototype.load=function(a){this.stockSolution=a,null!=a&&(null!=a.macromoleculeId&&this.macromoleculeCombo.setValue(a.macromoleculeId),this.bufferCombo.setValue(a.bufferId),Ext.getCmp(this.id+"stockSolution_concentration").setValue(this.stockSolution.concentration),this.storageLocationComboBox.setValue(this.stockSolution.storageTemperature),Ext.getCmp(this.id+"stockSolution_volume").setValue(this.stockSolution.volume),Ext.getCmp(this.id+"stockSolution_name").setValue(this.stockSolution.name),Ext.getCmp(this.id+"stockSolution_comments").setValue(this.stockSolution.comments),null!=a&&null!=a.proposalId&&(Ext.getCmp("proposalIdCombo").setValue(a.proposalId),Ext.getCmp("proposalIdCombo").disable()))},StockSolutionForm.prototype.getBufferCombo=function(){return this.bufferCombo=BIOSAXS_COMBOMANAGER.getComboBuffers(EXI.proposalManager.getBuffers(),{labelWidth:150,margin:"0 0 10 0",width:400}),this.bufferCombo},StockSolutionForm.prototype.getMacromoleculeCombo=function(){return this.macromoleculeCombo=BIOSAXS_COMBOMANAGER.getComboMacromoleculeByMacromolecules(EXI.proposalManager.getMacromolecules(),{labelWidth:150,margin:"0 0 10 0",width:400}),this.macromoleculeCombo},StockSolutionForm.prototype.refresh=function(){},StockSolutionForm.prototype._getTopPanel=function(){return this.storageLocationComboBox=BIOSAXS_COMBOMANAGER.getComboStorageTemperature({labelWidth:150,width:400}),{xtype:"container",layout:"hbox",border:0,buttons:this._getButtons(),items:[{xtype:"container",layout:"hbox",items:[{xtype:"container",flex:1,border:!1,layout:"anchor",defaultType:"textfield",items:[BIOSAXS_COMBOMANAGER.getComboProposal({labelWidth:150,width:400}),this.getMacromoleculeCombo(),this.getBufferCombo(),{xtype:"requiredtextfield",id:this.id+"stockSolution_name",fieldLabel:"Acronym",labelWidth:150,width:400},{xtype:"requiredtextfield",id:this.id+"stockSolution_concentration",fieldLabel:"Conc. (mg/ml)",labelWidth:150,width:400},this.storageLocationComboBox,{xtype:"requiredtextfield",id:this.id+"stockSolution_volume",fieldLabel:"Volume (µl)",labelWidth:150,width:400}]}]}]}},StockSolutionForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{padding:0,buttons:this._getButtons(),cls:"border-grid",items:[{xtype:"container",padding:20,items:[this._getTopPanel(),{id:this.id+"stockSolution_comments",xtype:"textareafield",name:"comments",fieldLabel:"Comments",labelWidth:150,width:"100%",height:100}]}]}),this.panel},StockSolutionForm.prototype.input=function(){return{stock:{stockSolutionId:6,proposalId:3124,macromoleculeId:5933,bufferId:811,instructionSet3VO:null,boxId:305861,storageTemperature:"20",volume:"300",concentration:"1.2",comments:"Buffer EDTA with A",name:"A_EDTA_1.2",samples:[],buffer:"EDTA",macromolecule:"A"},proposal:(new MeasurementGrid).input().proposal}},StockSolutionForm.prototype.test=function(a){var b=new StockSolutionForm;BIOSAXS.proposal=new Proposal(b.input().proposal);var c=b.getPanel(new Shipment(b.input().stock));c.render(a)},StockSolutionGrid.prototype._getColumns=function(){var a=this,b=[{header:"Proposal",dataIndex:"proposal",name:"proposalId",flex:1,hidden:!1},{header:"Macromolecule",dataIndex:"macromolecule",id:a.id+"macromolecule",type:"string",renderer:function(a,b,c){return null!=a?''+a+"":void 0},hidden:!1,flex:1},{header:"Buffer",dataIndex:"buffer",name:"buffer",hidden:!1,renderer:function(a,b,c){return''+a+""},type:"string",flex:1},{header:"Acronym",dataIndex:"name",name:"name",flex:1,hidden:!0},{header:"Storage Temp. (C)",dataIndex:"storageTemperature",name:"storageTemperature",flex:1,hidden:!1},{header:"Volume (µl)",name:"volume",dataIndex:"volume",flex:1,hidden:!1},{header:"Concentration (mg/ml)",dataIndex:"concentration",name:"concentration",flex:1},{header:"Packed",dataIndex:"comments",id:a.id+"box",type:"string",width:50,hidden:!this.isPackedVisible,renderer:function(a,b,c){return null!=c.raw.boxId?"
        ":void 0}},{header:"Comments",dataIndex:"comments",type:"string",flex:1}];return this.btnEditVisible&&b.push({xtype:"actioncolumn",width:40,text:"Edit",items:[{icon:"../images/icon/edit.png",tooltip:"Edit",handler:function(b,c,d){var e=b.getStore().getAt(c);a.edit(e.get("stockSolutionId"))}}]}),this.btnRemoveVisible&&b.push({id:a.id+"buttonRemove",width:85,sortable:!1,renderer:function(b,c,d,e,f,g){return a.btnRemoveVisible?BUI.getRedButton("REMOVE"):void 0}}),this.btnUnpackVisible&&b.push({xtype:"actioncolumn",width:40,text:"Unpack",items:[{icon:"../images/icon/ic_highlight_remove_black_24dp.png",tooltip:"Unpack",handler:function(b,c,d){var e=b.getStore().getAt(c).data;a.unpack(e)}}]}),b},StockSolutionGrid.prototype._getTopButtons=function(){var a=this,b=[];return this.btnAddVisible&&b.push(Ext.create("Ext.Action",{icon:"../images/icon/add.png",text:"Add",tooltip:"Will create a new stock solution",disabled:!1,alwaysEnabled:!0,handler:function(b,c){a.edit()}})),this.btnAddExisting&&b.push(Ext.create("Ext.Action",{icon:"images/icon/add.png",text:"Add Existing",tooltip:"Allows to select upacked stock solutions",disabled:!1,alwaysEnabled:!0,handler:function(b,c){var d=new StockSolutionGrid({btnAddVisible:!1,btnEditVisible:!1,btnRemoveVisible:!1,btnAddExisting:!1,isPackedVisible:!1,multiselect:!0}),e=Ext.create("Ext.window.Window",{title:"Select",height:800,width:900,layout:"fit",items:[d.getPanel()],buttons:[{text:"Pack",handler:function(){d.selectedStockSolutions.length>0&&a.onPack.notify(d.selectedStockSolutions[0]),e.close()}},{text:"Cancel",handler:function(){e.close()}}]}).show();d.load(EXI.proposalManager.getUnpackedStockSolutions())}})),b},StockSolutionGrid.prototype.load=function(a){for(var b=[],c=0;c0?"
        "+i.length+" x
        ":void 0}},{id:c.id+"buttonCreate",text:"",hidden:!0,tooltip:"Create a new stock solution for shipping",width:170,sortable:!1,renderer:function(a,b,c,d,e,f){return BUI.getGreenButton("CREATE STOCK SOLUTION",{width:160})}}]});return d},VolumeGrid.prototype._prepareData=function(a){for(var b={},c=0;c",{text:"Finish",handler:function(){d.forms[d.step].onWizardFinished.attach(function(a,b){d.onFinished.notify(b)}),b()}}]:0==a?["->",{text:"Next",handler:function(){d.forms.push(d.forms[d.step].getNextForm()),d.step=d.step+1,d.renderMasterContainer(),b(d.forms[d.step-1].data)}}]:this.step>0&&null==this.forms[d.step].onWizardFinished?[{text:"Back",handler:function(){d.step=d.step-1,d.renderMasterContainer(),c(),d.forms[d.step].reload()}},"->",{text:"Next",handler:function(){null==d.forms[d.step].onWizardFinished?(d.forms.push(d.forms[d.step].getNextForm()),d.step=d.step+1,b(d.forms[d.step-1].data),d.renderMasterContainer()):(d.forms[d.step].onWizardFinished.attach(function(a,b){d.window.close(),d.onFinished.notify(b)}),d.step=d.step+1,b(d.forms[d.step-1].data))}}]:void 0},WizardWidget.prototype.getPanel=function(a){return this.forms.push(a),Ext.create("Ext.form.Panel",{width:this.width,height:800,items:[this.forms[this.step].getForm()],buttons:this.getButtons(this.step,this.forms[this.step].onNext,this.forms[this.step].onBack)})},WizardWidget.prototype.renderMasterContainer=function(){null!=this.current&&this.current.destroy(),null!=this.window&&this.window.destroy(),this.current=this.getPanel(),0==this.windowMode?this.current.render(this.targetId):(this.window=Ext.create("Ext.Window",{id:this.id,resizable:!0,constrain:!0,modal:!0,frame:!1,draggable:!0,autoscroll:!0,layout:{type:"vbox",align:"stretch"},items:this.current,width:this.width,title:"BIOSAXS Experiment Designer",listeners:{scope:this,minimize:function(){this.panel.hide()},destroy:function(){delete this.panel}}}),this.window.show())},TestController.prototype.loadNavigationPanel=ExiController.prototype.loadNavigationPanel,TestController.prototype.setPageBackground=function(){},TestController.prototype.notFound=function(){},TestController.prototype.init=function(){var a,b=this;Path.map("#/test/test1").to(function(){EXI.clearNavigationPanel(),EXI.hideNavigationPanel();var a=new TestListView;EXI.addNavigationPanel(a),EXI.setLoadingNavigationPanel("Loading my data"),a.load([{name:"Lisa",email:"lisa@simpsons.com",phone:"555-111-1224"},{name:"Bart",email:"bart@simpsons.com",phone:"555-222-1234"},{name:"Homer",email:"homer@simpsons.com",phone:"555-222-1244"},{name:"Marge",email:"marge@simpsons.com",phone:"555-222-1254"}]),EXI.setLoadingNavigationPanel(!1)}).enter(this.setPageBackground),Path.map("#/test/test2").to(function(){EXI.clearNavigationPanel(),EXI.clearMainPanel(),EXI.setLoadingNavigationPanel(!0),a=new TestListView,a.onSelect.attach(function(a,b){location.hash="/test/test3/"+b[0].BLSample_crystalId+"/main"}),EXI.addNavigationPanel(a),adapter=b.loadNavigationPanel(a),adapter.mx.sample.getSampleInfoByProposalId()}).enter(this.setPageBackground),Path.map("#/test/test3/:crystalId/main").to(function(){ -var a=new TestMainView(this.params.crystalId);EXI.addMainPanel(a),console.log(this.params.crystalId),a.load(this.params.crystalId)}).enter(this.setPageBackground),Path.map("#/test/test4").to(function(){EXI.clearNavigationPanel();var a=new PuckWidgetView;EXI.addMainPanel(a);var b=function(b,c){a.load(c)};EXI.getDataAdapter({onSuccess:b}).proposal.shipping.getContainerById(333486,333486,333486)}).enter(this.setPageBackground),Path.rescue(this.notFound)},SampleForm.prototype.load=function(a){this.sample=a,null!=a&&Ext.getCmp("sampleName"+this.id).setValue(a.sampleName)},SampleForm.prototype.getSamplePanel=function(){return this.samplePanel=Ext.create("Ext.panel.Panel",{layout:"vbox",margin:"10",items:[{padding:10,xtype:"container",layout:"hbox",border:!1,items:[{xtype:"displayfield",id:"sampleName"+this.id,fieldLabel:"Sample Name",name:"sampleName"}]}]}),this.samplePanel},SampleForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:"vbox",title:"Sample Card",cls:"border-grid",items:[this.getSamplePanel()]}),this.panel},TestContainer.prototype.getPanel=function(){return this.container},TestContainer.prototype.add=function(a){this.container.add(a)},TestListView.prototype.getPanel=ListView.prototype.getPanel,TestListView.prototype.load=ListView.prototype.load,TestListView.prototype.getFields=ListView.prototype.getFields,TestListView.prototype.getColumns=ListView.prototype.getColumns,TestListView.prototype.getRow=function(a){var b="";return dust.render("test.template",a.data,function(a,c){b=c}),b},TestListView.prototype.getFilter=function(a){return[{property:"sampleName",value:a,anyMatch:!0}]},TestMainPanel.prototype.getPanel=ListView.prototype.getPanel,TestMainPanel.prototype.load=ListView.prototype.load,TestMainPanel.prototype.getFields=ListView.prototype.getFields,TestMainPanel.prototype.getColumns=ListView.prototype.getColumns,TestMainPanel.prototype.getRow=function(a){var b="";return dust.render("test.template.main",a.data,function(a,c){b=c}),b},TestMainPanel.prototype.getFilter=function(a){return[{property:"sampleName",value:a,anyMatch:!0}]},TestMainWidgetPanel.prototype.getPanel=ListView.prototype.getPanel,TestMainWidgetPanel.prototype.load=ListView.prototype.load,TestMainWidgetPanel.prototype.getFields=ListView.prototype.getFields,TestMainWidgetPanel.prototype.getColumns=ListView.prototype.getColumns,TestMainWidgetPanel.prototype.getRow=function(a){var b="1";return b},TestMainWidgetPanel.prototype.getFilter=function(a){return[{property:"sampleName",value:a,anyMatch:!0}]},PuckWidgetView.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{storeId:"samplePanelId",fields:["acronym","state","code","type","name","location","holder","looptype"],data:[]}),this.grid=Ext.create("Ext.grid.Panel",{margin:20,title:"Samples",store:Ext.data.StoreManager.lookup("samplePanelId"),columns:[{text:"Crystal protein acronym",dataIndex:"acronym"},{text:"State",dataIndex:"state"},{text:"Code",dataIndex:"code"},{text:"Container type",dataIndex:"type"},{text:"Name",dataIndex:"name"},{text:"Location",dataIndex:"location"},{text:"Holder",dataIndex:"holder"},{text:"Looptype",dataIndex:"looptype"}],height:200,width:700,listeners:{itemmouseenter:function(b,c,d){a.widget.focus(c.data.location,!0)},itemmouseleave:function(b,c,d){a.widget.focus(c.data.location,!1)}}}),this.panel=Ext.create("Ext.panel.Panel",{layout:"hbox",items:[this.grid,this.widget.getPanel()]}),this.panel},PuckWidgetView.prototype.load=function(a){var b=this;b.panel.setTitle("Test Widget");var c=[],d=["Filled","Collected","Results","Collected"];for(sample in a.sampleVOs)c.push({acronym:a.sampleVOs[sample].crystalVO.proteinVO.acronym,code:a.code,type:a.containerType,name:a.sampleVOs[sample].crystalVO.proteinVO.name,location:a.sampleVOs[sample].location,holder:a.sampleVOs[sample].holderLength,looptype:a.sampleVOs[sample].loopType,state:d[sample]});this.store.loadData(c),this.widget.load(c)},TestMainView.prototype.getPanel=MainView.prototype.getPanel,TestMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:15,border:1,defaults:{labelWidth:80,flex:1},items:[this.testMainPanel.getPanel([])]})},TestMainView.prototype.load=function(a){this.panel.setTitle("Sample");var b=this,c=function(a,c){b.testMainPanel.load(c)};EXI.getDataAdapter({onSuccess:c}).mx.sample.getSamplesByCrystalId(b.crystalId)},function(a){function b(a,b){return a.w("
        cardName:").f(b.getPath(!0,["cardName"]),b,"h").w("
        Familiy Name:").f(b.getPath(!0,["personVO","familyName"]),b,"h").w("
        Name:").f(b.getPath(!0,["personVO","givenName"]),b,"h").w("
        Email:").f(b.getPath(!0,["personVO","emailAddress"]),b,"h").w("
        ")}return a.register("address.listview",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
        ').s(b.get(["values"],!1),b,{block:c},{}).w("
        ")}function c(a,b){return a.w('').f(b.getPath(!0,[]),b,"h").w("")}return a.register("bootstrap.grid.template",b),b.__dustBody=!0,c.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
        ')}return a.register("buttons.puck.parcel.shipping.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        Code").f(b.getPath(!0,["code"]),b,"h").w("
        Status").f(b.getPath(!0,["dewarStatus"]),b,"h").w("
        Pucks").f(b.getPath(!0,["containerVOs","length"]),b,"h").w("
        BarCode").f(b.getPath(!0,["barCode"]),b,"h").w("
        ")}return a.register("dewarlistview",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        ').s(b.get(["lines"],!1),b,{block:e},{}).w("
        ")}function c(a,b){return a.f(b.get(["radius"],!1),b,"h")}function d(a,b){return a.f(b.get(["radius"],!1),b,"h")}function e(a,b){return a.w('')}return a.register("flexhcd.template",b),b.__dustBody=!0,c.__dustBody=!0,d.__dustBody=!0,e.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("").s(b.get(["info"],!1),b,{block:c},{}).w("
        ")}function c(a,b){return a.w("").f(b.getPath(!0,["text"]),b,"h").w("").f(b.getPath(!0,["value"]),b,"h").w("")}return a.register("info.grid.template",b),b.__dustBody=!0,c.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
        Code:
        ').f(b.getPath(!0,["code"]),b,"h").w('
        Status:
        ').f(b.getPath(!0,["dewarStatus"]),b,"h").w('
        Store Location:
        ').f(b.getPath(!0,["storageLocation"]),b,"h").w('
        Comments:
        ').f(b.getPath(!0,["comments"]),b,"h").w("
        ")}return a.register("parcel.header.shipping.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
        ').x(b.get(["isUnipuck"],!1),b,{block:o},{}).w('LOADING...').s(b.get(["cells"],!1),b,{block:r},{}).w("
        ")}function c(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function d(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function e(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function f(a,b){return a.f(b.get(["shapeRadiusY"],!1),b,"h")}function g(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function h(a,b){return a.f(b.get(["shapeRadiusX"],!1),b,"h")}function i(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function j(a,b){return a.f(b.get(["shapeRadiusY"],!1),b,"h")}function k(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function l(a,b){return a.f(b.get(["shapeRadiusX"],!1),b,"h")}function m(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function n(a,b){return a.f(b.get(["shapeRadiusY"],!1),b,"h")}function o(a,b){return a.w('')}function p(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function q(a,b){return a.f(b.get(["shapeRadiusX"],!1),b,"h")}function r(a,b){return a.x(b.get(["enableClick"],!1),b,{block:s},{}).w('').x(b.get(["enableClick"],!1),b,{block:y},{}).w(" ").h("gt",b,{block:A},{key:b.get(["radius"],!1),value:10},"h")}function s(a,b){return a.x(b.getPath(!0,["dataCollectionIds"]),b,{block:t},{})}function t(a,b){return a.w('')}function u(a,b){return a.x(b.getPath(!0,["dataCollectionIds"]),b,{block:v},{})}function v(a,b){return a.w('style="cursor:pointer"')}function w(a,b){return a.w(' pointer-events="none" ')}function x(a,b){return a.f(b.getPath(!0,["radius"]),b,"h")}function y(a,b){return a.x(b.getPath(!0,["dataCollectionIds"]),b,{block:z},{})}function z(a,b){return a.w("")}function A(a,b){return a.w('').h("math",b,{},{key:D,method:"add",operand:"1"},"h").w('')}function B(a,b){return a.f(b.get(["shapeRadiusX"],!1),b,"h")}function C(a,b){return a.f(b.get(["shapeRadiusX"],!1),b,"h")}function D(a,b){return a.f(b.get(["$idx"],!1),b,"h")}return a.register("puck.template",b),b.__dustBody=!0,c.__dustBody=!0,d.__dustBody=!0,e.__dustBody=!0,f.__dustBody=!0,g.__dustBody=!0,h.__dustBody=!0,i.__dustBody=!0,j.__dustBody=!0,k.__dustBody=!0,l.__dustBody=!0,m.__dustBody=!0,n.__dustBody=!0,o.__dustBody=!0,p.__dustBody=!0,q.__dustBody=!0,r.__dustBody=!0,s.__dustBody=!0,t.__dustBody=!0,u.__dustBody=!0,v.__dustBody=!0,w.__dustBody=!0,x.__dustBody=!0,y.__dustBody=!0,z.__dustBody=!0,A.__dustBody=!0,B.__dustBody=!0,C.__dustBody=!0,D.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('

        ').f(b.getPath(!0,["month"]),b,"h").w(" ").f(b.getPath(!0,["day"]),b,"h").w(" ").f(b.getPath(!0,["year"]),b,"h").w("

        ").f(b.getPath(!0,["beamLineName"]),b,"h").w("

        ").f(b.getPath(!0,["nbShifts"]),b,"h").w(" shifts

        ").f(b.getPath(!0,["comments"]),b,"h").w('
          ').h("gt",b,{block:c},{key:b.get(["sampleCount"],!1),value:0},"h").h("gt",b,{block:d},{key:b.get(["testDataCollectionGroupCount"],!1),value:0},"h").h("gt",b,{block:e},{key:b.get(["dataCollectionGroupCount"],!1),value:0},"h").h("gt",b,{block:f},{key:b.get(["xrfSpectrumCount"],!1),value:0},"h").h("gt",b,{block:g},{key:b.get(["energyScanCount"],!1),value:0},"h").w("

        Local contact: ").f(b.getPath(!0,["beamLineOperator"]),b,"h").w("

        ")}function c(a,b){return a.w('
      • ').f(b.getPath(!0,["sampleCount"]),b,"h").w("Samples
      • ")}function d(a,b){return a.w('
      • ').f(b.getPath(!0,["testDataCollectionGroupCount"]),b,"h").w("Tests
      • ")}function e(a,b){return a.w('
      • ').f(b.getPath(!0,["dataCollectionGroupCount"]),b,"h").w("Data Collections
      • ")}function f(a,b){return a.w('
      • ').f(b.getPath(!0,["xrfSpectrumCount"]),b,"h").w("Spectra
      • ")}function g(a,b){return a.w('
      • ').f(b.getPath(!0,["energyScanCount"]),b,"h").w("Energy Scans
      • ")}return a.register("session.listview",b),b.__dustBody=!0,c.__dustBody=!0,d.__dustBody=!0,e.__dustBody=!0,f.__dustBody=!0,g.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('

        ').f(b.getPath(!0,["proposal"]),b,"h").w('

        ').f(b.getPath(!0,["title"]),b,"h").w("
        ").f(b.getPath(!0,["sessionCount"]),b,"h").w(" sessions
        ")}return a.register("welcomemainviewproposalheader",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        Name:").f(b.getPath(!0,["Shipping_shippingName"]),b,"h").w("
        Type:").f(b.getPath(!0,["Shipping_shippingType"]),b,"h").w("
        Status:").f(b.getPath(!0,["Shipping_shippingStatus"]),b,"h").w("
        ")}return a.register("shipping.listview",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        ').s(b.get(["lines"],!1),b,{block:e},{}).s(b.get(["text"],!1),b,{block:f},{}).w("
        ")}function c(a,b){return a.f(b.get(["radius"],!1),b,"h")}function d(a,b){return a.f(b.get(["radius"],!1),b,"h")}function e(a,b){return a.w('')}function f(a,b){return a.w('').f(b.getPath(!0,["text"]),b,"h").w("")}function g(a,b){return a.w('font-size="').f(b.getPath(!0,["textSize"]),b,"h").w('"')}return a.register("structure.sampleChanger.template",b),b.__dustBody=!0,c.__dustBody=!0,d.__dustBody=!0,e.__dustBody=!0,f.__dustBody=!0,g.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        sampleName: ").f(b.getPath(!0,["BLSample_name"]),b,"h").w("
        Protein Acronym: ").f(b.getPath(!0,["Protein_acronym"]),b,"h").w("
        Code: ").f(b.getPath(!0,["Container_code"]),b,"h").w("
        sample Location: ").f(b.getPath(!0,["BLSample_location"]),b,"h").w("
        Crystal ID: ").f(b.getPath(!0,["BLSample_crystalId"]),b,"h").w("
        ")}return a.register("test.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        Name: ").f(b.getPath(!0,["name"]),b,"h").w("
        Comments: ").f(b.getPath(!0,["comments"]),b,"h").w("
        ")}return a.register("test.template.main",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        Number: ").f(b.get(["number"],!1),b,"h").w("
        ")}return a.register("test.template.number",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        Program:").f(b.getPath(!0,["v_datacollection_processingPrograms"]),b,"h").w("
        Space group:").f(b.getPath(!0,["v_datacollection_summary_phasing_autoproc_space_group"]),b,"h").w("
        ")}return a.register("autoprocintegration.listview",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('

        ').f(b.getPath(!0,["v_datacollection_processingPrograms"]),b,"h").w("").f(b.getPath(!0,["v_datacollection_summary_phasing_autoproc_space_group"]),b,"h").w(" ").h("eq",b,{block:c},{key:b.get(["v_datacollection_summary_phasing_anomalous"],!1),value:"true",type:"boolean"},"h").w('


        ').p("unitcell.autoprocintegrationgrid.template",b,b,{}).w('
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        ').x(b.get(["rigidBody"],!1),b,{"else":F,block:G},{}).w(' Rigid Body
        ')}function x(a,b){return a.w('
        ");var e=this.samplePlate.rowCount,f=this.samplePlate.columnCount,g={"fill-opacity":1,fill:this.wellColor,"stroke-width":this.strokeWidth,"stroke-opacity":1,stroke:"#000000",size:this.nodeSize,title:{fontSize:this.fontSize,fill:"#000000"},labeled:!1,height:this.height,width:this.width,right:this.width,backgroundColor:this.backgroundColor,balanceNodes:!1,nodesMaxSize:12,nodesMinSize:2};this.nodes=[];var h=[],i=10,j=Math.min((this.width-i)/f,(this.height-i)/e)/2;j=Math.min(j,g.nodesMaxSize),j=Math.max(j,g.nodesMinSize);for(var k=(this.width-i-2*j*f)/(f+1),l=(this.height-i-2*j*e)/(e+1),m=1;e>=m;m++)for(var n=1;f>=n;n++){var o=.8;" 4 x ( 8 + 3 ) Block"==this.samplePlate.type&&(o=n>=9?1:.6);var p=Math.min(k,l)+2*j*o;if(this.nodes.push({nodeId:this.id+"-node-"+m+"-"+n,squareId:this.id+"-square-"+m+"-"+n,radius:j*o,x:i/2+(n-1)*(2*j+k)+j+k,y:i/2+(m-1)*(2*j+l)+j+l,row:m,column:n,xSquare:i/2+(n-1)*(2*j+k)+j+k-p/2,ySquare:i/2+(m-1)*(2*j+l)+j+l-p/2,squareSide:p}),1==n){var q=["A","B","C","D","E","F","G","H"][m-1];h.push({text:q,x:Math.max(k,j)/2,y:i/2+(m-1)*(2*j+l)+j+l+this.fontSize/2})}m==e&&h.push({text:n,x:i/2+(n-1)*(2*j+k)+j+k,y:this.height})}var r={id:this.id,nodes:this.nodes,text:h,formatter:g,enableClick:this.enableClick},s="";dust.render("sample.plate.template",r,function(a,b){s+=b}),$("#"+this.targetId+"-div-svg").html(s),this.enableClick&&this.attachClickListeners(),this.load(this.dataCollections)},SamplePlateWidget.prototype.attachClickListeners=function(){for(var a=this,b=0;b0&&this.addOkIcon(b*this.network.graphCanvas.getWidth(),c*this.network.graphCanvas.getHeight(),d,a)},SamplePlateWidget.prototype.getSpecimenBufferColorFromSampleSpecimenId=function(a){var b=this.experiment.getDataCollectionsBySpecimenId(a);if(b.length>0)for(var c=b[0],d=0;d10&&(i=i.slice(0,10)+"..."),SVG.drawText(f*this.network.graphCanvas.getWidth()-this.nodeSize-10,g*this.network.graphCanvas.getHeight()+3*this.nodeSize+20,i,this.network.graphCanvas._svg,[["font-size","xx-small"],["fill","black"]]),SVG.drawText(f*this.network.graphCanvas.getWidth()-this.nodeSize-10,g*this.network.graphCanvas.getHeight()+3*this.nodeSize+35,Number(c.concentration).toFixed(2)+" mg/ml",this.network.graphCanvas._svg,[["font-size","xx-small"],["fill","black"]])}var j=this.experiment.getBufferById(c.bufferId).acronym;j.length>10&&(j=j.slice(0,10)+"..."),SVG.drawText(f*this.network.graphCanvas.getWidth()-this.nodeSize-10,g*this.network.graphCanvas.getHeight()+3*this.nodeSize+5,this.experiment.getBufferById(c.bufferId).acronym,this.network.graphCanvas._svg,[["font-size","xx-small"],["fill","blue"]])}if(this.showTooltip)var e=this.network.getGraphCanvas().getSVGNodeId(d.id)}},SamplePlateWidget.prototype._getToolTipContent=function(a){var b="";return b=b+"",b+="",b=b+"",null!=a.macromolecule3VO&&(b=b+"",b=b+""),b=b+"",null!=a.viscosity&&(b=b+""),b+="
        Specimen "+a.code+"
        Buffer: "+this.experiment.getBufferById(a.bufferId).name+"
        Macromolecule: "+a.macromolecule3VO.acronym+"
        Concentration: "+a.concentration+"
        Volume: "+a.volume+"
        Viscosity: "+a.viscosity+"
        "},SamplePlateWidget.prototype.fillSimulator=function(a){for(var b=0;bk;k++)for(var l=0;c>l;l++)y=k*h+d,x=l*i+f,j.push({x:x,y:y});var m=0;for(var n in a.getDataset().getVertices())null==a.getLayout().vertices[n]&&(this.vertices[n]=new NodeLayout(n,0,0)),a.getLayout().vertices[n].setCoordinates(j[m].x,j[m].y),m++,a.getLayout().vertices[n].changed.attach(function(a,b){_this.changed.notify(b)})},SamplePlateWidget.prototype.circleRelayout=function(a,b,c){a.getLayout().getLayout("CIRCLE")},SamplesGrid.prototype.load=function(a){try{this.crystal=a,this.loadSampleList()}catch(b){EXI.setError(b)}},SamplesGrid.prototype.loadSampleList=function(){function a(a,c){b.store.loadData(c),b.panel.setLoading(!1)}var b=this;this.panel.setLoading(),EXI.getDataAdapter({onSuccess:a}).mx.sample.getSampleInfoByCrystalId(this.crystal.crystalId)},SamplesGrid.prototype.getByCrystalId=function(a){for(var b=0;b":"",e+=c.data.crystalVO.CellAlpha?Number(c.data.crystalVO.CellAlpha).toFixed(d)+", ":"",e+=c.data.crystalVO.CellBeta?Number(c.data.crystalVO.CellBeta).toFixed(d)+", ":"",e+=c.data.crystalVO.CellGamma?Number(c.data.crystalVO.CellGamma).toFixed(d):""}return""}},{text:"Protein",dataIndex:"proteinAcronym",flex:.1,renderer:function(a,b,c){return c.data.crystalVO.proteinVO.acronym}}]}),this.panel},SpecimenGrid.prototype._prepareData=function(a){for(var b=[],c=0;c=b;b++)a.push({rowNumber:b,name:BUI.getSamplePlateLetters()[b-1]});var c=Ext.create("Ext.data.Store",{fields:["rowNumber","name"],data:a});return Ext.create("Ext.form.ComboBox",{store:c,queryMode:"local",displayField:"name",valueField:"rowNumber"})},SpecimenGrid.prototype._getColumnCombo=function(){for(var a=[],b=1;12>=b;b++)a.push({columnNumber:b});var c=Ext.create("Ext.data.Store",{fields:["columnNumber"],data:a});return Ext.create("Ext.form.ComboBox",{store:c,queryMode:"local",displayField:"columnNumber",valueField:"columnNumber"})},SpecimenGrid.prototype._getSlotColumBombo=function(){if(this.experiment){for(var a=this.experiment.getSamplePlates().length,b=[],c=1;a>=c;c++)b.push({slotPositionColumn:c});var d=Ext.create("Ext.data.Store",{fields:["slotPositionColumn"],data:b});return Ext.create("Ext.form.ComboBox",{store:d,queryMode:"local",displayField:"slotPositionColumn",valueField:"slotPositionColumn"})}},SpecimenGrid.prototype.getPanelByExperiment=function(a){this.experiment=a;var b=this._prepareData(a);return this.getPanel(b)},SpecimenGrid.prototype.refresh=function(a){this.dataCollections=a,_.map(a,function(a){a.Macromolecule_macromoleculeId?a.acronym=EXI.proposalManager.getMacromoleculeById(a.Macromolecule_macromoleculeId).acronym:a.acronym="Buffers",a.groupIndex=a.Buffer_bufferId+a.Macromolecule_macromoleculeId}),this.store.loadData(a)},SpecimenGrid.prototype.getPanel=function(){var a=this;this.store=Ext.create("Ext.data.Store",{fields:["Buffer_acronym","Buffer_bufferId","Measurement_code","Macromolecule_acronym","acronym","Macromolecule_macromoleculeId","Specimen_concentration","Specimen_volume","SamplePlatePosition_samplePlateId","SamplePlate_slotPositionColumn","SamplePlatePosition_rowNumber","SamplePlatePosition_columnNumber","groupIndex"],data:[],groupField:"acronym"}),this.store.sort([{property:"Specimen_concentration",direction:"ASC"},{property:"Buffer_acronym",direction:"ASC"}]);var b=Ext.create("Ext.selection.RowModel",{allowDeselect:!0,listeners:{select:function(b,c,d,e){a.onSelected.notify([c.data])},deselect:function(b,c,d,e){a.onSelected.notify([])}}}),c=[];return this.grouped&&c.push({ftype:"grouping",groupHeaderTpl:"{name}",hideGroupedHeader:!1,startCollapsed:!1,id:"myGroupedStore"}),this.grid=Ext.create("Ext.grid.Panel",{title:this.title,height:this.height,width:this.width,selModel:b,store:this.store,features:c,margin:this.margin,plugins:this.getPlugins(),cls:"border-grid",columns:[{text:"",dataIndex:"Macromolecule_acronym",width:20,renderer:function(a,b,c){var d=c.data.Macromolecule_macromoleculeId;if(null!=d)return BUI.getRectangleColorDIV("red",10,10)}},{text:"Macromolecule",dataIndex:"Macromolecule_acronym",width:100},{text:"",dataIndex:"Buffer_acronym",width:20,renderer:function(a,b,c){var d="black";return null!=c.data.Buffer_bufferId?BUI.getRectangleColorDIV(d,10,10):void 0}},{text:"Buffer",dataIndex:"Buffer_bufferId",width:140,editor:BIOSAXS_COMBOMANAGER.getComboBuffers(EXI.proposalManager.getBuffers(),{noLabel:!0,width:300}),renderer:function(a,b,c){return null!=c.data.bufferId?EXI.proposalManager.getBufferById(a).acronym:void 0}},{text:"Conc.",dataIndex:"Specimen_concentration",width:100,editor:{allowBlank:!1},renderer:function(a,b,c){return isNaN(a)?(b.tdCls="yellow-cell",a):0!=a?BUI.formatValuesUnits(a,"mg/ml",{fontSize:16,decimals:3,unitsFontSize:this.unitsFontSize}):void 0}},{text:"Vol. Well",dataIndex:"Specimen_volume",width:70,editor:{allowBlank:!0},renderer:function(a,b,c){return BUI.formatValuesUnits(c.data.Specimen_volume,"µl",{fontSize:12,decimals:2,unitsFontSize:this.unitsFontSize})}},{text:"samplePlateId",dataIndex:"SamplePlatePosition_samplePlateId",hidden:!0},{text:"Plate",hidden:this.isPositionColumnHidden,dataIndex:"SamplePlate_slotPositionColumn",editor:a._getSlotColumBombo(),flex:1,renderer:function(a,b,c){return null!=a&""!=a?a:void(b.tdCls="yellow-cell")}},{text:"Row",hidden:this.isPositionColumnHidden,dataIndex:"SamplePlatePosition_rowNumber",editor:this._getRowCombo(),flex:1,renderer:function(a,b,c){return null!=a&&""!=a?BUI.getSamplePlateLetters()[a-1]:void(b.tdCls="yellow-cell")}},{text:"Well",hidden:this.isPositionColumnHidden,dataIndex:"SamplePlatePosition_columnNumber",editor:this._getColumnCombo(),flex:1,renderer:function(a,b,c){return null!=a&&""!=a?a:void(b.tdCls="yellow-cell")}},{id:a.id+"buttonEditSample",text:"Edit",width:80,sortable:!1,hidden:!a.editEnabled,renderer:function(b,c,d,e,f,g){return a.editEnabled?BUI.getGreenButton("EDIT"):void 0}},{id:a.id+"buttonRemoveSample",text:"",hidden:!a.removeBtnEnabled,width:100,sortable:!1,renderer:function(b,c,d,e,f,g){return a.removeBtnEnabled?BUI.getRedButton("REMOVE"):void 0}}],viewConfig:{preserveScrollOnRefresh:!0,stripeRows:!0,getRowClass:function(b){var c=_.filter(a.dataCollections,{SamplePlatePosition_rowNumber:b.data.SamplePlatePosition_rowNumber,SamplePlatePosition_columnNumber:b.data.SamplePlatePosition_columnNumber,SamplePlatePosition_samplePlateId:b.data.SamplePlatePosition_samplePlateId});return c.length>1?"red-row":void 0},listeners:{selectionchange:function(b,c){a.onClick.notify(record.data)},cellclick:function(b,c,d,e,f){b.getGridColumns()[d].getId()==a.id+"buttonEditSample",b.getGridColumns()[d].getId()==a.id+"buttonRemoveSample"&&(b.getStore().removeAt(rowIndex),a.onRemoved.notify())}}}}),this.grid},SpecimenGrid.prototype.input=function(){return{experiment:DATADOC.getExperiment_10(),proposal:DATADOC.getProposal_10()}},SpecimenGrid.prototype.test=function(a){var b=new SpecimenGrid({height:400,maxHeight:400,width:1e3});BIOSAXS.proposal=new Proposal(b.input().proposal);var c=new Experiment(b.input().experiment),d=b.getPanelByExperiment(c);d.render(a)},SpecimenWidget.prototype.getContainerLayoutConfiguration=function(a){return{layout:"hbox",samplePlateGroupWidth:1*this.width/3-10,samplePlateGroupHeight:this.height-10,specimenGridWidth:2*this.width/3,specimenGridHeight:this.height-10}},SpecimenWidget.prototype.load=function(a){this.dataCollections=_.uniqBy(a,"Specimen_specimenId"),this.panel.removeAll();var b=this.getContainerLayoutConfiguration(a);this.specimenGrid.width=b.specimenGridWidth,this.specimenGrid.height=b.specimenGridHeight,this.samplePlateGroupWidget.width=b.samplePlateGroupWidth,this.samplePlateGroupWidget.height=b.samplePlateGroupHeight,"hbox"==b.layout&&(this.specimenGrid.margin="0 0 0 5",this.specimenGrid.width=this.specimenGrid.width-5);var c=Ext.create("Ext.container.Container",{layout:b.layout,height:this.height,width:this.width,padding:"2px",items:[]});"vbox"==b.layout?(c.insert(this.specimenGrid.getPanel()),c.insert(this.samplePlateGroupWidget.getPanel())):(c.insert(this.samplePlateGroupWidget.getPanel()),c.insert(this.specimenGrid.getPanel())),this.panel.insert(c),this.specimenGrid.refresh(this.dataCollections),this.samplePlateGroupWidget.refresh(this.dataCollections)},SpecimenWidget.prototype.getPanel=function(){return this.panel=Ext.create("Ext.container.Container",{layout:"vbox",height:this.height,border:0,margin:5,width:this.width,items:[]}),this.panel},StockSolutionForm.prototype._getButtons=function(){var a=this;return[{text:"Save",handler:function(){var b=function(b,c){a.panel.setLoading(!1),a.onSaved.notify()};return null==a.getStockSolution().bufferId?void BUI.showError("Buffer field is mandatory"):""==a.getStockSolution().name?void BUI.showError("Acronym field is mandatory"):""==a.getStockSolution().concentration?void BUI.showError("Concentration field is mandatory"):""==a.getStockSolution().volume?void BUI.showError("Volume field is mandatory"):(a.panel.setLoading("ISPyB: saving stock solution"),void EXI.getDataAdapter({onSuccess:b}).saxs.stockSolution.saveStockSolution(a.getStockSolution()))}}]},StockSolutionForm.prototype.getStockSolution=function(){return null==this.stockSolution?{concentration:Ext.getCmp(this.id+"stockSolution_concentration").getValue(),storageTemperature:this.storageLocationComboBox.getValue(),volume:Ext.getCmp(this.id+"stockSolution_volume").getValue(),comments:Ext.getCmp(this.id+"stockSolution_comments").getValue(),name:Ext.getCmp(this.id+"stockSolution_name").getValue(),bufferId:this.bufferCombo.getValue(),macromoleculeId:this.macromoleculeCombo.getValue(),proposalId:Ext.getCmp("proposalIdCombo").getValue()}:(this.stockSolution.concentration=Ext.getCmp(this.id+"stockSolution_concentration").getValue(),this.stockSolution.storageTemperature=this.storageLocationComboBox.getValue(),this.stockSolution.volume=Ext.getCmp(this.id+"stockSolution_volume").getValue(),this.stockSolution.comments=Ext.getCmp(this.id+"stockSolution_comments").getValue(),this.stockSolution.name=Ext.getCmp(this.id+"stockSolution_name").getValue(),this.stockSolution.proposalId=Ext.getCmp("proposalIdCombo").getValue(),this.stockSolution.bufferId=this.bufferCombo.getValue(),null!=this.macromoleculeCombo.getValue()?this.stockSolution.macromoleculeId=this.macromoleculeCombo.getValue():this.stockSolution.macromolecule3VO=null,this.stockSolution)},StockSolutionForm.prototype.load=function(a){this.stockSolution=a,null!=a&&(null!=a.macromoleculeId&&this.macromoleculeCombo.setValue(a.macromoleculeId),this.bufferCombo.setValue(a.bufferId),Ext.getCmp(this.id+"stockSolution_concentration").setValue(this.stockSolution.concentration),this.storageLocationComboBox.setValue(this.stockSolution.storageTemperature),Ext.getCmp(this.id+"stockSolution_volume").setValue(this.stockSolution.volume),Ext.getCmp(this.id+"stockSolution_name").setValue(this.stockSolution.name),Ext.getCmp(this.id+"stockSolution_comments").setValue(this.stockSolution.comments),null!=a&&null!=a.proposalId&&(Ext.getCmp("proposalIdCombo").setValue(a.proposalId),Ext.getCmp("proposalIdCombo").disable()))},StockSolutionForm.prototype.getBufferCombo=function(){return this.bufferCombo=BIOSAXS_COMBOMANAGER.getComboBuffers(EXI.proposalManager.getBuffers(),{labelWidth:150,margin:"0 0 10 0",width:400}),this.bufferCombo},StockSolutionForm.prototype.getMacromoleculeCombo=function(){return this.macromoleculeCombo=BIOSAXS_COMBOMANAGER.getComboMacromoleculeByMacromolecules(EXI.proposalManager.getMacromolecules(),{labelWidth:150,margin:"0 0 10 0",width:400}),this.macromoleculeCombo},StockSolutionForm.prototype.refresh=function(){},StockSolutionForm.prototype._getTopPanel=function(){return this.storageLocationComboBox=BIOSAXS_COMBOMANAGER.getComboStorageTemperature({labelWidth:150,width:400}),{xtype:"container",layout:"hbox",border:0,buttons:this._getButtons(),items:[{xtype:"container",layout:"hbox",items:[{xtype:"container",flex:1,border:!1,layout:"anchor",defaultType:"textfield",items:[BIOSAXS_COMBOMANAGER.getComboProposal({labelWidth:150,width:400}),this.getMacromoleculeCombo(),this.getBufferCombo(),{xtype:"requiredtextfield",id:this.id+"stockSolution_name",fieldLabel:"Acronym",labelWidth:150,width:400},{xtype:"requiredtextfield",id:this.id+"stockSolution_concentration",fieldLabel:"Conc. (mg/ml)",labelWidth:150,width:400},this.storageLocationComboBox,{xtype:"requiredtextfield",id:this.id+"stockSolution_volume",fieldLabel:"Volume (µl)",labelWidth:150,width:400}]}]}]}},StockSolutionForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{padding:0,buttons:this._getButtons(),cls:"border-grid",items:[{xtype:"container",padding:20,items:[this._getTopPanel(),{id:this.id+"stockSolution_comments",xtype:"textareafield",name:"comments",fieldLabel:"Comments",labelWidth:150,width:"100%",height:100}]}]}),this.panel},StockSolutionForm.prototype.input=function(){return{stock:{stockSolutionId:6,proposalId:3124,macromoleculeId:5933,bufferId:811,instructionSet3VO:null,boxId:305861,storageTemperature:"20",volume:"300",concentration:"1.2",comments:"Buffer EDTA with A",name:"A_EDTA_1.2",samples:[],buffer:"EDTA",macromolecule:"A"},proposal:(new MeasurementGrid).input().proposal}},StockSolutionForm.prototype.test=function(a){var b=new StockSolutionForm;BIOSAXS.proposal=new Proposal(b.input().proposal);var c=b.getPanel(new Shipment(b.input().stock));c.render(a)},StockSolutionGrid.prototype._getColumns=function(){var a=this,b=[{header:"Proposal",dataIndex:"proposal",name:"proposalId",flex:1,hidden:!1},{header:"Macromolecule",dataIndex:"macromolecule",id:a.id+"macromolecule",type:"string",renderer:function(a,b,c){return null!=a?''+a+"":void 0},hidden:!1,flex:1},{header:"Buffer",dataIndex:"buffer",name:"buffer",hidden:!1,renderer:function(a,b,c){return''+a+""},type:"string",flex:1},{header:"Acronym",dataIndex:"name",name:"name",flex:1,hidden:!0},{header:"Storage Temp. (C)",dataIndex:"storageTemperature",name:"storageTemperature",flex:1,hidden:!1},{header:"Volume (µl)",name:"volume",dataIndex:"volume",flex:1,hidden:!1},{header:"Concentration (mg/ml)",dataIndex:"concentration",name:"concentration",flex:1},{header:"Packed",dataIndex:"comments",id:a.id+"box",type:"string",width:50,hidden:!this.isPackedVisible,renderer:function(a,b,c){return null!=c.raw.boxId?"
        ":void 0}},{header:"Comments",dataIndex:"comments",type:"string",flex:1}];return this.btnEditVisible&&b.push({xtype:"actioncolumn",width:40,text:"Edit",items:[{icon:"../images/icon/edit.png",tooltip:"Edit",handler:function(b,c,d){var e=b.getStore().getAt(c);a.edit(e.get("stockSolutionId"))}}]}),this.btnRemoveVisible&&b.push({id:a.id+"buttonRemove",width:85,sortable:!1,renderer:function(b,c,d,e,f,g){return a.btnRemoveVisible?BUI.getRedButton("REMOVE"):void 0}}),this.btnUnpackVisible&&b.push({xtype:"actioncolumn",width:40,text:"Unpack",items:[{icon:"../images/icon/ic_highlight_remove_black_24dp.png",tooltip:"Unpack",handler:function(b,c,d){var e=b.getStore().getAt(c).data;a.unpack(e)}}]}),b},StockSolutionGrid.prototype._getTopButtons=function(){var a=this,b=[];return this.btnAddVisible&&b.push(Ext.create("Ext.Action",{icon:"../images/icon/add.png",text:"Add",tooltip:"Will create a new stock solution",disabled:!1,alwaysEnabled:!0,handler:function(b,c){a.edit()}})),this.btnAddExisting&&b.push(Ext.create("Ext.Action",{icon:"images/icon/add.png",text:"Add Existing",tooltip:"Allows to select upacked stock solutions",disabled:!1,alwaysEnabled:!0,handler:function(b,c){var d=new StockSolutionGrid({btnAddVisible:!1,btnEditVisible:!1,btnRemoveVisible:!1,btnAddExisting:!1,isPackedVisible:!1,multiselect:!0}),e=Ext.create("Ext.window.Window",{title:"Select",height:800,width:900,layout:"fit",items:[d.getPanel()],buttons:[{text:"Pack",handler:function(){d.selectedStockSolutions.length>0&&a.onPack.notify(d.selectedStockSolutions[0]),e.close()}},{text:"Cancel",handler:function(){e.close()}}]}).show();d.load(EXI.proposalManager.getUnpackedStockSolutions())}})),b},StockSolutionGrid.prototype.load=function(a){for(var b=[],c=0;c0?"
        "+i.length+" x
        ":void 0}},{id:c.id+"buttonCreate",text:"",hidden:!0,tooltip:"Create a new stock solution for shipping",width:170,sortable:!1,renderer:function(a,b,c,d,e,f){return BUI.getGreenButton("CREATE STOCK SOLUTION",{width:160})}}]});return d},VolumeGrid.prototype._prepareData=function(a){for(var b={},c=0;c",{text:"Finish",handler:function(){d.forms[d.step].onWizardFinished.attach(function(a,b){d.onFinished.notify(b)}),b()}}]:0==a?["->",{text:"Next",handler:function(){d.forms.push(d.forms[d.step].getNextForm()),d.step=d.step+1,d.renderMasterContainer(),b(d.forms[d.step-1].data)}}]:this.step>0&&null==this.forms[d.step].onWizardFinished?[{text:"Back",handler:function(){d.step=d.step-1,d.renderMasterContainer(),c(),d.forms[d.step].reload()}},"->",{text:"Next",handler:function(){null==d.forms[d.step].onWizardFinished?(d.forms.push(d.forms[d.step].getNextForm()),d.step=d.step+1,b(d.forms[d.step-1].data),d.renderMasterContainer()):(d.forms[d.step].onWizardFinished.attach(function(a,b){d.window.close(),d.onFinished.notify(b)}),d.step=d.step+1,b(d.forms[d.step-1].data))}}]:void 0},WizardWidget.prototype.getPanel=function(a){return this.forms.push(a),Ext.create("Ext.form.Panel",{width:this.width,height:800,items:[this.forms[this.step].getForm()],buttons:this.getButtons(this.step,this.forms[this.step].onNext,this.forms[this.step].onBack)})},WizardWidget.prototype.renderMasterContainer=function(){null!=this.current&&this.current.destroy(),null!=this.window&&this.window.destroy(),this.current=this.getPanel(),0==this.windowMode?this.current.render(this.targetId):(this.window=Ext.create("Ext.Window",{id:this.id,resizable:!0,constrain:!0,modal:!0,frame:!1,draggable:!0,autoscroll:!0,layout:{type:"vbox",align:"stretch"},items:this.current,width:this.width,title:"BIOSAXS Experiment Designer",listeners:{scope:this,minimize:function(){this.panel.hide()},destroy:function(){delete this.panel}}}),this.window.show())},TestController.prototype.loadNavigationPanel=ExiController.prototype.loadNavigationPanel,TestController.prototype.setPageBackground=function(){},TestController.prototype.notFound=function(){},TestController.prototype.init=function(){var a,b=this;Path.map("#/test/test1").to(function(){EXI.clearNavigationPanel(),EXI.hideNavigationPanel();var a=new TestListView;EXI.addNavigationPanel(a),EXI.setLoadingNavigationPanel("Loading my data"),a.load([{name:"Lisa",email:"lisa@simpsons.com",phone:"555-111-1224"},{name:"Bart",email:"bart@simpsons.com",phone:"555-222-1234"},{name:"Homer",email:"homer@simpsons.com",phone:"555-222-1244"},{name:"Marge",email:"marge@simpsons.com",phone:"555-222-1254"}]),EXI.setLoadingNavigationPanel(!1)}).enter(this.setPageBackground),Path.map("#/test/test2").to(function(){EXI.clearNavigationPanel(),EXI.clearMainPanel(),EXI.setLoadingNavigationPanel(!0),a=new TestListView,a.onSelect.attach(function(a,b){location.hash="/test/test3/"+b[0].BLSample_crystalId+"/main"}),EXI.addNavigationPanel(a),adapter=b.loadNavigationPanel(a),adapter.mx.sample.getSampleInfoByProposalId()}).enter(this.setPageBackground),Path.map("#/test/test3/:crystalId/main").to(function(){var a=new TestMainView(this.params.crystalId);EXI.addMainPanel(a),console.log(this.params.crystalId),a.load(this.params.crystalId)}).enter(this.setPageBackground),Path.map("#/test/test4").to(function(){EXI.clearNavigationPanel();var a=new PuckWidgetView; +EXI.addMainPanel(a);var b=function(b,c){a.load(c)};EXI.getDataAdapter({onSuccess:b}).proposal.shipping.getContainerById(333486,333486,333486)}).enter(this.setPageBackground),Path.rescue(this.notFound)},SampleForm.prototype.load=function(a){this.sample=a,null!=a&&Ext.getCmp("sampleName"+this.id).setValue(a.sampleName)},SampleForm.prototype.getSamplePanel=function(){return this.samplePanel=Ext.create("Ext.panel.Panel",{layout:"vbox",margin:"10",items:[{padding:10,xtype:"container",layout:"hbox",border:!1,items:[{xtype:"displayfield",id:"sampleName"+this.id,fieldLabel:"Sample Name",name:"sampleName"}]}]}),this.samplePanel},SampleForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:"vbox",title:"Sample Card",cls:"border-grid",items:[this.getSamplePanel()]}),this.panel},TestContainer.prototype.getPanel=function(){return this.container},TestContainer.prototype.add=function(a){this.container.add(a)},TestListView.prototype.getPanel=ListView.prototype.getPanel,TestListView.prototype.load=ListView.prototype.load,TestListView.prototype.getFields=ListView.prototype.getFields,TestListView.prototype.getColumns=ListView.prototype.getColumns,TestListView.prototype.getRow=function(a){var b="";return dust.render("test.template",a.data,function(a,c){b=c}),b},TestListView.prototype.getFilter=function(a){return[{property:"sampleName",value:a,anyMatch:!0}]},TestMainPanel.prototype.getPanel=ListView.prototype.getPanel,TestMainPanel.prototype.load=ListView.prototype.load,TestMainPanel.prototype.getFields=ListView.prototype.getFields,TestMainPanel.prototype.getColumns=ListView.prototype.getColumns,TestMainPanel.prototype.getRow=function(a){var b="";return dust.render("test.template.main",a.data,function(a,c){b=c}),b},TestMainPanel.prototype.getFilter=function(a){return[{property:"sampleName",value:a,anyMatch:!0}]},TestMainWidgetPanel.prototype.getPanel=ListView.prototype.getPanel,TestMainWidgetPanel.prototype.load=ListView.prototype.load,TestMainWidgetPanel.prototype.getFields=ListView.prototype.getFields,TestMainWidgetPanel.prototype.getColumns=ListView.prototype.getColumns,TestMainWidgetPanel.prototype.getRow=function(a){var b="1";return b},TestMainWidgetPanel.prototype.getFilter=function(a){return[{property:"sampleName",value:a,anyMatch:!0}]},ElectronDensityViewer.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{buttons:this.getToolBar(),items:[{html:'
        ',height:800}]}),this.panel.on("boxready",function(){a.load()}),this.panel},ElectronDensityViewer.prototype.load=function(){var a=this,b="";dust.render("electron.density.viewer.template",a.sample,function(a,c){b+=c}),$(document.body).html(b),init_gui(),this.XV=new XtalViewer("Viewer",null,!0,!0),draw_selection_console(this.XV),this.XV.animate(),getQuery(this.XV)||(this.XV.load_pdb("data/1mru.pdb","1mru"),this.XV.load_dsn6_map("data/1mru.omap","2mFo-Dfc",0),this.XV.animate()),this.XV.enable_leap_motion()},ElectronDensityViewer.prototype.getToolBar=function(){var a=this;return[{xtype:"button",text:"Debugger",handler:function(){a.XV}}]},PuckWidgetView.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{storeId:"samplePanelId",fields:["acronym","state","code","type","name","location","holder","looptype"],data:[]}),this.grid=Ext.create("Ext.grid.Panel",{margin:20,title:"Samples",store:Ext.data.StoreManager.lookup("samplePanelId"),columns:[{text:"Crystal protein acronym",dataIndex:"acronym"},{text:"State",dataIndex:"state"},{text:"Code",dataIndex:"code"},{text:"Container type",dataIndex:"type"},{text:"Name",dataIndex:"name"},{text:"Location",dataIndex:"location"},{text:"Holder",dataIndex:"holder"},{text:"Looptype",dataIndex:"looptype"}],height:200,width:700,listeners:{itemmouseenter:function(b,c,d){a.widget.focus(c.data.location,!0)},itemmouseleave:function(b,c,d){a.widget.focus(c.data.location,!1)}}}),this.panel=Ext.create("Ext.panel.Panel",{layout:"hbox",items:[this.grid,this.widget.getPanel()]}),this.panel},PuckWidgetView.prototype.load=function(a){var b=this;b.panel.setTitle("Test Widget");var c=[],d=["Filled","Collected","Results","Collected"];for(sample in a.sampleVOs)c.push({acronym:a.sampleVOs[sample].crystalVO.proteinVO.acronym,code:a.code,type:a.containerType,name:a.sampleVOs[sample].crystalVO.proteinVO.name,location:a.sampleVOs[sample].location,holder:a.sampleVOs[sample].holderLength,looptype:a.sampleVOs[sample].loopType,state:d[sample]});this.store.loadData(c),this.widget.load(c)},TestMainView.prototype.getPanel=MainView.prototype.getPanel,TestMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:15,border:1,defaults:{labelWidth:80,flex:1},items:[this.testMainPanel.getPanel([])]})},TestMainView.prototype.load=function(a){this.panel.setTitle("Sample");var b=this,c=function(a,c){b.testMainPanel.load(c)};EXI.getDataAdapter({onSuccess:c}).mx.sample.getSamplesByCrystalId(b.crystalId)},function(a){function b(a,b){return a.w('
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        ")}return a.register("address.form.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        cardName:").f(b.getPath(!0,["cardName"]),b,"h").w("
        Familiy Name:").f(b.getPath(!0,["personVO","familyName"]),b,"h").w("
        Name:").f(b.getPath(!0,["personVO","givenName"]),b,"h").w("
        Email:").f(b.getPath(!0,["personVO","emailAddress"]),b,"h").w("
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        ').s(b.get(["values"],!1),b,{block:c},{}).w("
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        ')}return a.register("buttons.puck.parcel.shipping.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
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        Protein acronym').f(b.getPath(!1,["crystalVO","proteinVO","acronym"]),b,"h").w("
        Name").f(b.getPath(!0,["name"]),b,"h").w("
        Comments").f(b.getPath(!0,["comments"]),b,"h").w('
        A
        ').f(b.getPath(!0,["crystalVO","cellA"]),b,"h").w('
        B
        ').f(b.getPath(!0,["crystalVO","cellB"]),b,"h").w('
        C
        ').f(b.getPath(!0,["crystalVO","cellC"]),b,"h").w('
        α
        ').f(b.getPath(!0,["crystalVO","cellAlpha"]),b,"h").w('
        β
        ').f(b.getPath(!0,["crystalVO","cellBeta"]),b,"h").w('
        γ
        ').f(b.getPath(!0,["crystalVO","cellGamma"]),b,"h").w('
        PDB
        ')}return a.register("crystal.form.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        Code").f(b.getPath(!0,["code"]),b,"h").w("
        Status").f(b.getPath(!0,["dewarStatus"]),b,"h").w("
        Pucks").f(b.getPath(!0,["containerVOs","length"]),b,"h").w("
        BarCode").f(b.getPath(!0,["barCode"]),b,"h").w("
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        Load structure...
        ')}return a.register("electron.density.viewer.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
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        ').f(b.getPath(!0,["text"]),b,"h").w('
        ').f(b.getPath(!0,["value"]),b,"h").w("
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        Code:
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        Status:
        ').f(b.getPath(!0,["dewarStatus"]),b,"h").w('
        Store Location:
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        Comments:
        ').f(b.getPath(!0,["comments"]),b,"h").w("
        ")}return a.register("parcel.header.shipping.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
        Code: ').f(b.getPath(!1,["dewar","code"]),b,"h").w('
        Status: ').f(b.getPath(!1,["dewar","dewarStatus"]),b,"h").w('
        Storage: ').f(b.getPath(!1,["dewar","storageLocation"]),b,"h").w("
        ")}return a.register("parcel.panel.parameter.table.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
        #').f(b.getPath(!1,["dewar","index"]),b,"h").w('
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        ').f(b.getPath(!0,["month"]),b,"h").w(" ").f(b.getPath(!0,["day"]),b,"h").w(" ").f(b.getPath(!0,["year"]),b,"h").w("

        ").f(b.getPath(!0,["beamLineName"]),b,"h").w("

        ").f(b.getPath(!0,["nbShifts"]),b,"h").w(" shifts

        ").f(b.getPath(!0,["comments"]),b,"h").w('
          ').h("gt",b,{block:c},{key:b.get(["sampleCount"],!1),value:0},"h").h("gt",b,{block:d},{key:b.get(["testDataCollectionGroupCount"],!1),value:0},"h").h("gt",b,{block:e},{key:b.get(["dataCollectionGroupCount"],!1),value:0},"h").h("gt",b,{block:f},{key:b.get(["xrfSpectrumCount"],!1),value:0},"h").h("gt",b,{block:g},{key:b.get(["energyScanCount"],!1),value:0},"h").w("

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        ")}function c(a,b){return a.w('
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      • ")}function e(a,b){return a.w('
      • ').f(b.getPath(!0,["dataCollectionGroupCount"]),b,"h").w("Data Collections
      • ")}function f(a,b){return a.w('
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      • ")}function g(a,b){return a.w('
      • ').f(b.getPath(!0,["energyScanCount"]),b,"h").w("Energy Scans
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        ').f(b.getPath(!0,["proposal"]),b,"h").w('

        ').f(b.getPath(!0,["title"]),b,"h").w("
        ").f(b.getPath(!0,["sessionCount"]),b,"h").w(" sessions
        ")}return a.register("welcomemainviewproposalheader",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
        ")}function c(a,b){return a.w("")}function d(a,b){return a.h("eq",b,{block:e},{key:f,value:g},"h")}function e(a,b){return a.w("selected")}function f(a,b){return a.f(b.getPath(!0,["beamLineName"]),b,"h")}function g(a,b){return a.f(b.get(["beamlineName"],!1),b,"h")}function h(a,b){return a.f(b.getPath(!0,["date"]),b,"h")}function i(a,b){return a.f(b.get(["startDate"],!1),b,"h")}function j(a,b){return a.w("")}function k(a,b){return a.w("selected")}function l(a,b){return a.f(b.getPath(!0,["cardName"]),b,"h")}function m(a,b){return a.f(b.getPath(!1,["shipment","sendingLabContactVO","cardName"]),b,"h")}function n(a,b){return a.w("")}function o(a,b){return a.w("selected")}function p(a,b){return a.f(b.getPath(!0,["cardName"]),b,"h")}function q(a,b){return a.f(b.getPath(!1,["shipment","returnLabContactVO","cardName"]),b,"h")}return a.register("shipping.edit.form.template",b),b.__dustBody=!0,c.__dustBody=!0,d.__dustBody=!0,e.__dustBody=!0,f.__dustBody=!0,g.__dustBody=!0,h.__dustBody=!0,i.__dustBody=!0,j.__dustBody=!0,k.__dustBody=!0,l.__dustBody=!0,m.__dustBody=!0,n.__dustBody=!0,o.__dustBody=!0,p.__dustBody=!0,q.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
        ').f(b.get(["cellA"],!1),b,"h").w("").f(b.get(["cellB"],!1),b,"h").w("").f(b.get(["cellC"],!1),b,"h").w("
        ").f(b.get(["cellAlpha"],!1),b,"h").w("").f(b.get(["cellBeta"],!1),b,"h").w("").f(b.get(["cellGamma"],!1),b,"h").w("
        ")}return a.register("shipping.edit.form.unit.cell.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
        Name:').f(b.getPath(!1,["shipment","shippingName"]),b,"h").w("
        Beamline:").f(b.getPath(!0,["beamlineName"]),b,"h").w("
        Date:").f(b.getPath(!0,["startDate"]),b,"h").w('
        ')}return a.register("shipping.form.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        Name:").f(b.getPath(!0,["Shipping_shippingName"]),b,"h").w("
        Type:").f(b.getPath(!0,["Shipping_shippingType"]),b,"h").w("
        Status:").f(b.getPath(!0,["Shipping_shippingStatus"]),b,"h").w("
        ")}return a.register("shipping.listview",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
        ').x(b.get(["fillPanel"],!1),b,{block:d},{}).w("
        ")}function c(a,b){return a.w("cursor:pointer;")}function d(a,b){return a.w('
        ').h("eq",b,{"else":e,block:f},{key:b.get(["code"],!1),value:""},"h").w("
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        ').f(b.getPath(!0,["name"]),b,"h").w('

        Date: ').f(b.getPath(!0,["creationDate"]),b,"h").w('
        ')}return a.register("header.hplcmainview.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
        ').s(b.getPath(!0,[]),b,{block:c},{}).w("
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        Specimen
        Macromolecule
        Conc.
        Buffer
         
        Parameters
        Exp. Temp.
        Vol. Load
        Trans.
        wait T.
        Flow
        Viscosity
         
        Status
         
         
        Time
         
        ').s(b.getPath(!0,[]),b,{block:c},{}).w("
        ")}function c(a,b){return a.w('
        ').f(b.getPath(!0,["Macromolecule_acronym"]),b,"h").w('
        ').f(b.getPath(!0,["Specimen_concentration"]),b,"h").w('
        ').f(b.getPath(!0,["Buffer_acronym"]),b,"h").w(" Plate: [").f(b.getPath(!0,["SamplePlate_slotPositionColumn"]),b,"h").w(",").f(b.getPath(!0,["samplePlateLetter"]),b,"h").w("-").f(b.getPath(!0,["SamplePlatePosition_columnNumber"]),b,"h").w(']
        ').f(b.getPath(!0,["Run_exposureTemperature"]),b,"h").w('
        ').f(b.getPath(!0,["Measurement_volumeToLoad"]),b,"h").w('
        ').f(b.getPath(!0,["Measurement_transmission"]),b,"h").w('
        ').f(b.getPath(!0,["Measurement_waitTime"]),b,"h").w('
        ').f(b.getPath(!0,["Measurement_flow"]),b,"h").w('
        ').f(b.getPath(!0,["Measurement_viscosity"]),b,"h").w("
        ").x(b.get(["Run_runId"],!1),b,{block:e},{}).w('
        ')}function d(a,b){return a.w('style="background:rgb(188,245,169);"')}function e(a,b){return a.w("DONE")}return a.register("measurement.grid.template",b),b.__dustBody=!0,c.__dustBody=!0,d.__dustBody=!0,e.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
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        RunSampleFrames
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        RgPointsI0RgTotalDmaxVolumeMM Vol. est.
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        ').x(b.get(["Merge_framesMerge"],!1),b,{"else":i,block:j},{}).w(" / ").x(b.get(["Merge_framesCount"],!1),b,{"else":k,block:l},{}).w('
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        ").h("decimal",b,{},{key:"Specimen_concentration",decimals:3},"h").w(" mg/ml
        ").f(b.getPath(!0,["Run_exposureTemperature"]),b,"h").w(" C ")}function i(a,b){return a.w("NA")}function j(a,b){return a.f(b.getPath(!0,["Merge_framesMerge"]),b,"h")}function k(a,b){return a.w("NA")}function l(a,b){return a.f(b.getPath(!0,["Merge_framesCount"]),b,"h")}function m(a,b){return a.w("")}function n(a,b){return a.w("")}function o(a,b){return a.w(">").h("decimal",b,{},{key:"Subtraction_rg",decimals:3},"h").w(" nm")}function p(a,b){return a.w("class='notavailablefield'>NA")}function q(a,b){return a.w(">").f(b.getPath(!0,["Subtraction_firstPointUsed"]),b,"h").w(" - ").f(b.getPath(!0,["Subtraction_lastPointUsed"]),b,"h").w(" (").h("math",b,{},{key:b.get(["Subtraction_lastPointUsed"],!1),method:"subtract",operand:b.getPath(!0,["Subtraction_firstPointUsed"])},"h").w(")")}function r(a,b){return a.w("class='notavailablefield'>NA")}function s(a,b){return a.w(">").h("decimal",b,{},{key:"Subtraction_I0",decimals:1},"h").w(" ± ").h("exponential",b,{},{key:"Subtraction_I0Stdev",decimals:3},"h").w("")}function t(a,b){return a.w("class='notavailablefield'>NA")}function u(a,b){return a.w(">").h("decimal",b,{},{key:"Subtraction_rgGnom",decimals:3},"h").w(" nm")}function v(a,b){return a.w("class='notavailablefield'>NA")}function w(a,b){return a.w(">").h("decimal",b,{},{key:"Subtraction_total",decimals:3},"h")}function x(a,b){return a.w("class='notavailablefield'>NA")}function y(a,b){return a.w(">").h("decimal",b,{},{key:"Subtraction_dmax",decimals:3},"h").w(" nm")}function z(a,b){return a.w("class='notavailablefield'>NA")}function A(a,b){return a.w(">").h("decimal",b,{},{key:"Subtraction_volumePorod",decimals:3},"h").w(" nm3")}function B(a,b){return a.w("class='notavailablefield'>NA")}function C(a,b){return a.w(">").h("mmVolTest",b,{},{},"h").w(" kD")}function D(a,b){return a.w("class='notavailablefield'>NA")}function E(a,b){return a.w('
        Image not found
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        ').x(b.get(["dataReduction"],!1),b,{"else":F,block:G},{}).w(' Data Reduction
        ').x(b.get(["SubtractionToAbInitioModel_abinitioId"],!1),b,{"else":H,block:I},{}).w("
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        ').x(b.get(["superposition"],!1),b,{"else":L,block:M},{}).w(' Superposition
        ').x(b.get(["rigidBody"],!1),b,{"else":N,block:O},{}).w(' Rigid Body
        ')}function F(a,b){return a.w('
        "}}]})},RunMainView.prototype.getGeneralContainerList=function(a){var b="
          ";return b=b+"
        • Name: "+a.name+"
        • ",b=b+"
        • Status: "+a.status+"
        • ",b=b+"
        • "+a.creationDate+"
        • "},RunMainView.prototype.getGeneralContainer=function(a){return{xtype:"panel",title:"General",margin:10,border:1,style:{borderColor:"gray",borderStyle:"solid",borderWidth:"1px"},items:[{html:this.getGeneralContainerList(a),margin:"10 0 0 50"}]}},RunMainView.prototype.getMainPanel=function(){},RunMainView.prototype.getTabs=function(){return Ext.createWidget("tabpanel",{plain:!0,margin:"20 0 0 0",items:[this.getMainPanel(),{tabConfig:{title:"Output Files"},items:[{xtype:"container",layout:"fit",height:700,padding:20,cls:"border-grid",items:[this.getOutputPanel()]}]}]})},RunMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"anchor"},defaults:{anchor:"100%",hideEmptyLabel:!1},margin:5,bodyStyle:{"background-color":"#E6E6E6"},items:[this.getTabs()]})},RunMainView.prototype.loadMain=function(a){},RunMainView.prototype.load=function(a){if(null!=a){this.panel.setTitle(a.name);for(var b=[],c=0;c "+c+""};-1==c[0].data.name.indexOf(".mtz")?EXI.getDataAdapter({onSuccess:d}).exi.offline.getFileContent(c[0].data.targetId):d(this,"No text available")}}});return Ext.create("Ext.grid.Panel",{title:"Files",store:this.filesStore,selModel:b,cls:"border-grid",height:400,columns:[{text:"Name",dataIndex:"name",flex:1}]})},DimpleRunMainView.prototype.getMainPanel=function(){var a=Ext.create("Ext.data.Store",{fields:["key","value"]});return this.generalGrid=Ext.create("Ext.grid.Panel",{title:"General",store:a,layout:"fit",columns:[{text:"Name",dataIndex:"name"},{text:"Seniority",dataIndex:"seniority"}],flex:1}),{tabConfig:{title:"Dimple"},items:[{xtype:"container",height:700,cls:"border-grid",items:[{xtype:"container",layout:"hbox",items:[{xtype:"container",layout:"fit",flex:.4,margin:5,items:[this.getFilesGrid(),{html:"
          "},{html:'
          '}]},{xtype:"container",layout:"fit",flex:.6,margin:5,height:400,cls:"border-grid",items:[{html:'
          '}]}]},{xtype:"container",margin:5,height:210,layout:"fit",flex:1,items:[{html:'
          '}]}]}]}},DimpleRunMainView.prototype.loadBlobs=function(a){var b=[],c=0;for(c=0;c0)for(var b=0;b
          ',height:600,border:0,width:600},this.subpanel],listeners:{afterrender:function(){_this.showCalendar([])}}}),this.panel},SessionMainView.prototype.showCalendar=function(a){function b(a){c.loadByDate(moment(new Date(a.startDate)).format("YYYYMMDD"))}var c=this;$("#"+c.id).empty(),$("#"+this.id).calendar({enableContextMenu:!0,enableRangeSelection:!0,selectRange:function(a){b({startDate:a.startDate,endDate:a.endDate})},mouseOnDay:function(a){if(a.events.length>0){var b="";for(var c in a.events)b+="
          "+a.events[c].name+"
          "+a.events[c].location+"
          ";$(a.element).popover({trigger:"manual",container:"body",html:!0,content:b}),$(a.element).popover("show")}},mouseOutDay:function(a){a.events.length>0&&$(a.element).popover("hide")},dayContextMenu:function(a){$(a.element).popover("hide")},dataSource:a})},SessionMainView.prototype.getBadge=function(a,b){return b&&0!=b?""+a+' '+b+"
          ":""},SessionMainView.prototype.getLocation=function(a){var b=this.getBadge("Collect",a.dataCollectionGroupCount);return b+=this.getBadge("Images",a.imagesCount),b+=this.getBadge("XRF",a.xrfSpectrumCount),b+=this.getBadge("Energy",a.energyScanCount),b+this.getBadge("Sample",a.sampleCount)},SessionMainView.prototype.load=function(a){for(var b=[],c=0;c0){var e=EXI.proposalManager.getProposals()[0];e.sessionCount=a.length,dust.render("welcomemainviewproposalheader",e,function(a,b){$("#"+d.id+"_header").html(b),d.panel.insert(0,{html:b,border:0,margin:"10 0 0 10",width:600})})}},SessionMainView.prototype.loadByDate=function(a){function b(a,b){c.sessionGrid.load(b),c.panel.setLoading(!1)}var c=this;this.panel.setLoading(!0);var d=EXI.credentialManager.getCredentials()[0].activeProposals[0],e=moment(a,"YYYYMMDD").format("YYYYMMDD");EXI.getDataAdapter({onSuccess:b}).proposal.session.getSessionsByProposalAndDate(a,e,d)},SpreadSheet.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{layout:"vbox",height:this.height+50,items:[{html:'
          ',margin:"20 0 20 10",height:this.height,width:this.width,autoScroll:!0,resizable:!0}]}),this.panel},SpreadSheet.prototype.setLoading=function(a){this.panel.setLoading(a)},SpreadSheet.prototype.getAcronyms=function(){for(var a=EXI.proposalManager.getProteins(),b=[],c=0;c0)for(var c=this.getHeaderId(),d=0;d1){var e={};e.location=d+1;for(var f=0;f0&&a.push(e)}for(var i=[],j=0;j=c;c++)b.push([c]);else b=b.slice(0,a);this.spreadSheet.loadData(b)}},SpreadSheet.prototype.emptyRow=function(a){for(var b=this.getHeaderId(),c=1;c=0;d--){var e=a[d];e[2]!=e[3]&&c.manageChange(e,b,f)}}},data:e,height:this.height,width:this.width,manualColumnResize:!0,colWidths:this.getHeaderWidth(),colHeaders:this.getHeaderText(),stretchH:"last",columns:this.getColumns()})},ContainerSpreadSheet.prototype.getSamplesData=function(a){function b(a,b){for(var c=0;cAcronym",id:"Protein Acronym",column:{width:80,type:"dropdown",source:this.getAcronyms()}},{text:"Sample
          Name",id:"Sample Name",column:{width:120}},{text:"Crystal
          Form",id:"Crystal Form",column:{width:250,type:"dropdown",source:function(b,c){var d=a.getColumnIndex("Protein Acronym"),e=EXI.proposalManager.getProteinByAcronym(this.instance.getDataAtCell(this.row,d));c(e.length>0?a.getCrystalInfoByProtein(e[0]):[])}}},{text:"Exp.
          Type",id:"Experiment Type",column:{width:80,type:"dropdown",source:["Default","MXPressE","MXPressO","MXPressI","MXPressE_SAD","MXScore","MXPressM"]}},{text:"Pin
          BarCode",id:"Pin BarCode",column:{width:60}},{text:"Pre-observed
          resolution",id:"Pre-observed resolution",column:{width:80}},{text:"Needed
          resolution",id:"Needed resolution",column:{width:60}},{text:"Pref.
          Diameter",id:"Pref. Diameter",column:{width:60}},{text:"Number of
          positions",id:"Number Of positions",column:{width:80}},{text:"Radiation
          Sensitivity",id:"Radiation Sensitivity",column:{width:80}},{text:"Required
          multiplicity",id:"Required multiplicity",column:{width:60}},{text:"Required
          Completeness",id:"Required Completeness",column:{width:80}},{text:"Space
          Group",id:"Space Group",column:{width:55,renderer:c,editor:!1,readOnly:!0}},{text:"Smiles",id:"Smiles",column:{width:140}},{text:"Comments",id:"Comments",column:{width:200}}],this.renderCrystalFormColumn&&b.push({text:"Edit Crystal Form",id:"editCrystalForm",column:{width:200,renderer:d,editor:!1,readOnly:!0}}),b},ContainerSpreadSheet.prototype.getPuck=function(){function a(a){return _.filter(a,function(a){return a.location==c[e].location})}for(var b=JSON.parse(JSON.stringify(this.puck)),c=this.parseTableData(),d=[],e=0;e0&&(f=g[0]),f.name=c[e]["Sample Name"],f.Dewar_barCode=c[e]["Pin BarCode"],f.smiles=c[e].Smiles,f.location=c[e].location,f.comments=c[e].Comments;var h=[];null==f.crystalVO?(f.crystalVO={},h=EXI.proposalManager.getProteinByAcronym(c[e]["Protein Acronym"]),null!=h&&(f.crystalVO.proteinVO=h[0])):(h=EXI.proposalManager.getProteinByAcronym(c[e]["Protein Acronym"]),null!=h&&(f.crystalVO.proteinVO=h[0]));var i=this.parseCrystalFormColumn(c[e]["Crystal Form"],e);f.crystalVO.spaceGroup=i.spaceGroup?i.spaceGroup:"",f.crystalVO.cellA=i.cellA,f.crystalVO.cellB=i.cellB,f.crystalVO.cellC=i.cellC,f.crystalVO.cellAlpha=i.cellAlpha,f.crystalVO.cellBeta=i.cellBeta,f.crystalVO.cellGamma=i.cellGamma,f.diffractionPlanVO={},f.diffractionPlanVO.radiationSensitivity=Number(c[e]["Radiation Sensitivity"]),f.diffractionPlanVO.requiredCompleteness=Number(c[e]["Required Completeness"]),f.diffractionPlanVO.requiredMultiplicity=Number(c[e]["Required multiplicity"]),f.diffractionPlanVO.requiredResolution=Number(c[e]["Needed resolution"]),f.diffractionPlanVO.observedResolution=Number(c[e]["Pre-observed resolution"]),f.diffractionPlanVO.preferredBeamDiameter=Number(c[e]["Pref. Diameter"]),f.diffractionPlanVO.numberOfPositions=Number(c[e]["Number Of positions"]),f.diffractionPlanVO.experimentKind=c[e]["Experiment Type"],d.push(f)}return b.sampleVOs=d,b},ContainerSpreadSheet.prototype.setRenderCrystalFormColumn=function(a){this.renderCrystalFormColumn=a},ContainerSpreadSheet.prototype.parseCrystalFormColumn=function(a,b){var c={spaceGroup:null,cellA:null,cellB:null,cellC:null,cellAlpha:null,cellBeta:null,cellGamma:null};if(""!=a&&null!=a){var d=EXI.proposalManager.getProteinByAcronym(this.spreadSheet.getDataAtCell(b,this.getColumnIndex("Protein Acronym")));if(d&&d.length>0&&(c.proteinVO=d[0]),"NEW"==a)c.spaceGroup="NEW",c.crystalId="";else{this.crystalInfoToIdMap[a]?c.crystalId=this.crystalInfoToIdMap[a]:(this.getCrystalInfoByProtein(d[0]),c.crystalId=this.crystalInfoToIdMap[a]);var e=a.split("-");if(c.spaceGroup=e[0].trim(),e.length>1){var f=(e[1]+"-"+e[2]).trim().replace(/[{()}]/g,"").replace(/\s+/g,"");c.cellA="null"==f.split("-")[0].split(",")[0]?null:f.split("-")[0].split(",")[0],c.cellB="null"==f.split("-")[0].split(",")[1]?null:f.split("-")[0].split(",")[1],c.cellC="null"==f.split("-")[0].split(",")[1]?null:f.split("-")[0].split(",")[2],c.cellAlpha="null"==f.split("-")[1].split(",")[0]?null:f.split("-")[1].split(",")[0],c.cellBeta="null"==f.split("-")[1].split(",")[1]?null:f.split("-")[1].split(",")[1],c.cellGamma="null"==f.split("-")[1].split(",")[2]?null:f.split("-")[1].split(",")[2]}else c.cellA=0,c.cellB=0,c.cellC=0,c.cellAlpha=0,c.cellBeta=0,c.cellGamma=0}}return c},ContainerSpreadSheet.prototype.getCrystalInfo=function(a){try{return null==a.cellA?a.spaceGroup+" - undefined":0==a.cellA&&0==a.cellB&&0==a.cellC&&0==a.cellAlpha&&0==a.cellBeta&&0==a.cellGamma?a.spaceGroup:a.spaceGroup+" - ("+a.cellA+" , "+a.cellB+" , "+a.cellC+" - "+a.cellAlpha+" , "+a.cellBeta+" , "+a.cellGamma+")"}catch(b){return""}},ContainerSpreadSheet.prototype.getUnitCellInfo=function(a){var b="";return dust.render("shipping.edit.form.unit.cell.template",a,function(a,c){b=c}),b},ContainerSpreadSheet.prototype.showEditForm=function(a,b){var c=this,d=new EditCrystalFormView;d.onSaved.attach(function(a,d){var f=c.parseTableData();c.updateCrystalGroup(b,d);for(var g=0;g Edit Crystal Form";this.setDataAtCell(a,b,c)},ContainerSpreadSheet.prototype.updateCrystalGroup=function(a,b){b?(this.setDataAtCell(a,this.crystalFormIndex,this.getCrystalInfo(b)),this.setDataAtCell(a,this.spaceGroupIndex,b.spaceGroup),this.addEditCrystalFormButton(a)):this.resetCrystalGroup(a)},ContainerSpreadSheet.prototype.resetCrystalGroup=function(a){this.setDataAtCell(a,this.crystalFormIndex,""),this.setDataAtCell(a,this.spaceGroupIndex,""),this.setDataAtCell(a,this.getColumnIndex("editCrystalForm"),"")},ContainerSpreadSheet.prototype.disableAll=function(){this.spreadSheet.updateSettings({readOnly:!0})},ContainerSpreadSheet.prototype.manageChange=function(a,b,c){switch(a[1]){case this.crystalFormIndex:var d=this.parseCrystalFormColumn(a[3],a[0]);void 0!=d.spaceGroup?"NEW"==d.spaceGroup?this.showEditForm(d,a[0]):this.isCrystalFormAvailable(d,this.getData()[a[0]][this.getColumnIndex("Protein Acronym")])?this.updateCrystalGroup(a[0],d):this.resetCrystalGroup(a[0]):this.resetCrystalGroup(a[0]);break;case this.getColumnIndex("Protein Acronym"):if(""==a[3])this.emptyRow(a[0]);else{if(a[0]>0){var e=this.getColumnIndex("Sample Name"),f=this.spreadSheet.getDataAtCell(a[0],e);if(void 0==f||""==f){var g=this.spreadSheet.getDataAtCell(a[0]-1,e);if(null!=g&&""!=g){var h=this.autoIncrement(g,1);""!=h&&this.setDataAtCell(a[0],e,h)}}}var d=this.parseCrystalFormColumn(this.getData()[a[0]][this.crystalFormIndex],a[0]);if(!this.isCrystalFormAvailable(d,a[3])){this.resetCrystalGroup(a[0]);var i=EXI.proposalManager.getProteinByAcronym(a[3]);if(i){var j=_.filter(EXI.proposalManager.getCrystals(),function(a){return a.proteinVO.proteinId==i[0].proteinId});if(j&&j.length>0){var k=_.maxBy(j,"crystalId");this.updateCrystalGroup(a[0],k)}}}}break;case this.getColumnIndex("Sample Name"):if("autofill"==b&&""!=a[3]){var h=this.autoIncrement(this.spreadSheet.getDataAtCell(a[0]-c,a[1]),c);""!=h&&this.setDataAtCell(a[0],a[1],h)}}a[1]!=this.getColumnIndex("editCrystalForm")&&this.onModified.notify(a),$(".htInvalid").removeClass("htInvalid")},ContainerSpreadSheet.prototype.autoIncrement=function(a,b){var c="",d=/(\d+)/g,e=a.match(d);if(e){var f=e[e.length-1];a.lastIndexOf(f)==a.length-f.length&&(c=a.substring(0,a.length-f.length)+(parseInt(f)+b))}return c},ContainerSpreadSheet.prototype.isCrystalFormAvailable=function(a,b){var c=_.filter(_.filter(EXI.proposalManager.getCrystals(),{spaceGroup:a.spaceGroup}),function(a){return a.proteinVO.acronym==b});if(c.length>0)for(var d=0;d
          '},this.uploaderWidget.getForm(),{xtype:"button",margin:"0 0 0 2",text:"Test",handler:function(){window.open("#/shipping/edv","_newtab")}}]}),this.panel},CrystalFormView.prototype.getToolBar=function(){var a=this;return[{text:"Return to shipment",width:200,height:30,handler:function(){location.href="#/shipping/"+a.shippingId+"/main"}}]},CrystalFormView.prototype.load=function(a,b,c){var d=this;this.containerId=a,this.sampleId=b,this.shippingId=c,this.panel.setTitle("Shipment");var e=function(a,b){if(b){var c=_.filter(b.sampleVOs,function(a){return a.blSampleId==d.sampleId});if(c.length>0){d.sample=c[0];var e="";dust.render("crystal.form.template",d.sample,function(a,b){e+=b}),$("#"+d.id).hide().html(e).fadeIn("fast"),$("#"+d.id).css("padding",d.padding),d.panel.doLayout()}}};EXI.getDataAdapter({onSuccess:e}).proposal.shipping.getContainerById(this.containerId,this.containerId,this.containerId)},EditCrystalFormView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{html:'
          ',autoScroll:!1,padding:this.padding,width:this.width}]}),this.panel},EditCrystalFormView.prototype.load=function(a){var b=this;if(this.crystal=a,null!=a.crystalId)if(""!=a.crystalId){var c=function(a,c){b.crystal=c,b.render()};EXI.getDataAdapter({onSuccess:c}).mx.crystal.getCrystalById(a.crystalId)}else this.render();else $("#"+this.id).hide().html("

          There was an error loading the crystal

          ").fadeIn("fast"),this.panel.doLayout()},EditCrystalFormView.prototype.render=function(){var a=this;this.crystal.spaceGroups=ExtISPyB.spaceGroups,this.crystal.id=this.id;var b="";dust.render("crystal.edit.form.template",this.crystal,function(a,c){b=c}),$("#"+this.id).hide().html(b).fadeIn("fast"),this.panel.doLayout(),$("#"+this.id+"-space-group").on("change",function(){a.setCellValuesBySpaceGroup(this.value)}),this.setCellValuesBySpaceGroup($("#"+this.id+"-space-group").val())},EditCrystalFormView.prototype.save=function(){var a=this,b={spaceGroup:$("#"+this.id+"-space-group").val(),cellA:$("#"+this.id+"-cellA").val(),cellB:$("#"+this.id+"-cellB").val(),cellC:$("#"+this.id+"-cellC").val(),cellAlpha:$("#"+this.id+"-cellAlpha").val(),cellBeta:$("#"+this.id+"-cellBeta").val(),cellGamma:$("#"+this.id+"-cellGamma").val(),name:$("#"+this.id+"-name").val(),comments:$("#"+this.id+"-comments").val()};if(""!=b.cellA&&""!=b.cellB&&""!=b.cellC){this.panel.setLoading();var c=function(b,c){EXI.proposalManager.get(!0),a.onSaved.notify(c),a.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).mx.crystal.save(this.crystal.proteinVO.proteinId,this.crystal.crystalId,b.name,b.spaceGroup,b.cellA,b.cellB,b.cellC,b.cellAlpha,b.cellBeta,b.cellGamma,b.comments)}else $("#"+this.id+"-cellsABC").notify("The values A, B and C must be filled",{className:"error"})},EditCrystalFormView.prototype.setCellValuesBySpaceGroup=function(a){var b=this,c=function(a,c){var d="",e="",f="";if(c&&c.length>0&&c[0].geometryClassnameVO){switch(c[0].geometryClassnameVO.geometryClassname){case"Primitive triclinic":break;case"Primitive monoclinic":d=90,f=90;break;case"Centred monoclinic":d=90,f=90;break;case"Primitive orthohombic":d=90,e=90,f=90;break;case"C-centred orthohombic":d=90,e=90,f=90;break;case"I-centred orthohombic":d=90,e=90,f=90;break;case"F-centred orthohombic":d=90,e=90,f=90;break;case"Primitive tetragonal":d=90,e=90,f=90;break;case"I-centred tetragonal":d=90,e=90,f=90;break;case"Primitive trigonal":d=90,e=90,f=120;break;case"Primitive hexagonal":d=90,e=90,f=120;break;case"Rhombohedral":d=90,e=90,f=120;break;case"Primitive cubic":d=90,e=90,f=90;break;case"I-centred cubic":d=90,e=90,f=90;break;case"F-centred cubic":d=90,e=90,f=90}b.manageCellValueUpdate("#"+b.id+"-cellAlpha",d),b.manageCellValueUpdate("#"+b.id+"-cellBeta",e),b.manageCellValueUpdate("#"+b.id+"-cellGamma",f)}};EXI.getDataAdapter({onSuccess:c}).mx.crystal.getGeometryclassBySpacegroup(a)},EditCrystalFormView.prototype.manageCellValueUpdate=function(a,b){""!=b?($(a).prop("disabled",!0),$(a).val(b)):$(a).prop("disabled",!1)},GenericContainerSpreadSheet.prototype.getPanel=SpreadSheet.prototype.getPanel,GenericContainerSpreadSheet.prototype.setLoading=SpreadSheet.prototype.setLoading,GenericContainerSpreadSheet.prototype.getAcronyms=SpreadSheet.prototype.getAcronyms,GenericContainerSpreadSheet.prototype.getHeaderWidth=SpreadSheet.prototype.getHeaderWidth,GenericContainerSpreadSheet.prototype.getHeaderId=SpreadSheet.prototype.getHeaderId,GenericContainerSpreadSheet.prototype.getHeaderText=SpreadSheet.prototype.getHeaderText,GenericContainerSpreadSheet.prototype.getColumns=SpreadSheet.prototype.getColumns,GenericContainerSpreadSheet.prototype.parseTableData=SpreadSheet.prototype.parseTableData,GenericContainerSpreadSheet.prototype.getData=SpreadSheet.prototype.getData,GenericContainerSpreadSheet.prototype.loadData=SpreadSheet.prototype.loadData,GenericContainerSpreadSheet.prototype.setDataAtCell=SpreadSheet.prototype.setDataAtCell,GenericContainerSpreadSheet.prototype.getColumnIndex=SpreadSheet.prototype.getColumnIndex,GenericContainerSpreadSheet.prototype.disableAll=SpreadSheet.prototype.disableAll,GenericContainerSpreadSheet.prototype.setContainerType=SpreadSheet.prototype.setContainerType,GenericContainerSpreadSheet.prototype.updateNumberOfRows=SpreadSheet.prototype.updateNumberOfRows,GenericContainerSpreadSheet.prototype.emptyRow=SpreadSheet.prototype.emptyRow,GenericContainerSpreadSheet.prototype.load=function(a){function b(a,b,d,e,f,g,h){return Handsontable.renderers.TextRenderer.apply(this,arguments),a.getDataAtRow(d)[1]?(2==e&&(g&&""!=g||(b.className="custom-row-text-required")),void(e!=c.unitCellIndex&&e!=c.spaceGroupIndex||(b.style.background="#EEE"))):void(b.style.background="#EEE")}var c=this;this.container=a;var d=document.getElementById(this.id+"_samples"),e=this.getSamplesData(a);Handsontable.renderers.registerRenderer("ValueRenderer",b),this.spreadSheet=new Handsontable(d,{afterCreateRow:function(a,b){e.splice(a,b)},beforeChange:function(a,b){lastChange=a},data:e,height:this.height,width:this.width,manualColumnResize:!0,colWidths:this.getHeaderWidth(),colHeaders:this.getHeaderText(),stretchH:"last",columns:this.getColumns()})},GenericContainerSpreadSheet.prototype.getSamplesData=function(a){for(var b=[],c=0;cAcronym",id:"Protein Acronym",column:{width:100,type:"dropdown",source:this.getAcronyms()}},{text:"Sample
          Name",id:"Sample Name",column:{width:120}},{text:"Comments",id:"Comments",column:{width:200}}]},GenericContainerSpreadSheet.prototype.getPuck=function(){function a(a){return _.filter(a,function(a){return a.BLSample_location==b[d].location})}var b=this.parseTableData(),c={};c.sampleVOs=[];for(var d=0;d0&&(e=f[0]),e.Protein_acronym=b[d]["Protein Acronym"],e.BLSample_name=b[d]["Sample Name"],e.location=b[d].location,e.BLSample_comments=b[d].Comments,e.crystalVO={proteinVO:EXI.proposalManager.getProteinByAcronym(b[d]["Protein Acronym"])[0]},e.diffractionPlanVO={},c.sampleVOs.push(e)}return c},OtherContainerForm.prototype.load=function(a){a&&(this.container=a,this.container.samples||(this.container.samples=[]),this.container.capacity||(this.container.capacity=a.samples.length),Ext.getCmp(this.id+"container_name").setValue(a.code),Ext.getCmp(this.id+"capacity").setValue(this.container.capacity),this.containerSpreadSheet.load(this.container),this.panel.doLayout())},OtherContainerForm.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.form.Panel",{autoScroll:!0,buttons:this.getButtons(),items:[{xtype:"container",margin:"5 0 2 5",layout:"hbox",items:[{xtype:"container",margin:"12 0 2 0",layout:"hbox",items:[{xtype:"requiredtextfield", +id:this.id+"container_name",fieldLabel:"Name",name:"name",width:250,margin:"5 5 5 5",labelWidth:100},{xtype:"numberfield",id:this.id+"capacity",fieldLabel:"Capacity",width:250,disabled:!1,margin:"5 5 5 10",labelWidth:100,minValue:0,listeners:{change:function(b,c,d){a.panel.setLoading(!0),a.containerSpreadSheet.updateNumberOfRows(c),a.panel.setLoading(!1)}}}]}]},this.containerSpreadSheet.getPanel()]}),this.panel},OtherContainerForm.prototype.getButtons=function(){var a=this;return[{text:"Save",id:this.id+"-save-button",handler:function(){a.save()}},{text:"Cancel",handler:function(){a.onCancel.notify()}}]},OtherContainerForm.prototype.getContainer=function(){return this.container.code=Ext.getCmp(this.id+"container_code").getValue(),this.container.containerType="OTHER",this.container.capacity=this.container.samples.length,this.container},OtherContainerForm.prototype.save=function(){var a=this;this.panel.setLoading("Saving Puck");var b=this.containerSpreadSheet.getPuck();b.code=Ext.getCmp(a.id+"container_name").getValue(),b.capacity=Ext.getCmp(a.id+"capacity").getValue(),b.containerType="OTHER",b.containerId=this.container.containerId;var c=function(b,c){a.panel.setLoading(!1),EXI.setError(c.responseText)},d=function(c){a.panel.setLoading(!1),a.onSave.notify(b)};EXI.getDataAdapter({onSuccess:d,onError:c}).proposal.shipping.saveContainer(this.container.containerId,this.container.containerId,this.container.containerId,b)},ParcelGrid.prototype._getTopButtons=function(){var a=this;return Ext.create("Ext.Action",{id:this.id+"-add-button",icon:"../images/icon/add.png",text:"Add",disabled:!0,handler:function(b,c){a.edit()}})},ParcelGrid.prototype.load=function(a){function b(a,b){c.panel.setLoading(),b.sessionId=b.firstExperimentId,b.shippingId=c.shipment.shippingId;var d=function(a,b){c.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:d}).proposal.dewar.saveDewar(c.shipment.shippingId,b)}var c=this;this.shipment=a,this.dewars=a.dewarVOs,this.panel.removeAll(),this.dewars.sort(function(a,b){return a.dewarId-b.dewarId}),Ext.getCmp(this.id+"-label").setText("Content ("+this.dewars.length+" Parcels)"),Ext.getCmp(this.id+"-add-button").enable();for(var d in this.dewars){var e=new ParcelPanel({height:90,width:this.width-60,shippingId:this.shipment.shippingId,shippingStatus:this.shipment.shippingStatus,index:Number(d)+1});this.panel.insert(e.getPanel()),e.load(this.dewars[d],this.shipment),e.onSavedClick.attach(b)}},ParcelGrid.prototype.edit=function(a){var b=this,c=new CaseForm,d=Ext.create("Ext.window.Window",{title:"Parcel",height:450,width:600,modal:!0,layout:"fit",items:[c.getPanel(a)],listeners:{afterrender:function(a,c){null!=b.puck&&b.render(b.puck)}},buttons:[{text:"Save",handler:function(){new DataAdapter;b.panel.setLoading();var a=c.getDewar(),e=function(a,c){b.load(c),b.panel.setLoading(!1),d.close()};a.sessionId=a.firstExperimentId,a.shippingId=b.shipment.shippingId,EXI.getDataAdapter({onSuccess:e}).proposal.dewar.saveDewar(b.shipment.shippingId,a)}},{text:"Cancel",handler:function(){d.close()}}]});d.show()},ParcelGrid.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{cls:"border-grid",width:this.width,autoScroll:!0,autoHeight:!0,maxHeight:this.height,padding:this.padding}),this.panel.addDocked({height:45,xtype:"toolbar",items:[{xtype:"label",text:"Content (0 Parcels)",id:this.id+"-label"},a._getTopButtons()],cls:"exi-top-bar"}),this.panel},PuckFormView.prototype.load=function(a,b,c){var d=this;this.shippingId=b,this.shippingStatus=c,this.containerId=a,this.panel.setTitle("Shipment");var e=function(a,b){d.puck=b,null!=b&&(Ext.getCmp(d.id+"puck_name").setValue(d.puck.code),d.puck.capacity?d.capacityCombo.setValue(d.puck.capacity):$.notify("ERROR: The capacity of the container is not defined.","error"),Ext.getCmp(d.id+"puck_beamline").setValue(d.puck.beamlineLocation),Ext.getCmp(d.id+"puck_sampleChangerLocation").setValue(d.puck.sampleChangerLocation),Ext.getCmp(d.id+"puck_status").setValue(d.puck.containerStatus)),d.fillSamplesGrid(b)};EXI.getDataAdapter({onSuccess:e}).proposal.shipping.getContainerById(this.containerId,this.containerId,this.containerId)},PuckFormView.prototype.fillSamplesGrid=function(a){var b=this;this.containerSpreadSheet.setLoading(!0);var c=function(c,d){if(d){if(d.length>0?b.containerSpreadSheet.setRenderCrystalFormColumn(!0):b.containerSpreadSheet.setRenderCrystalFormColumn(!1),b.containerSpreadSheet.setContainerType(a.containerType),b.containerSpreadSheet.load(a),"processing"!=b.shippingStatus){var e=_.filter(d,{DataCollectionGroup_dataCollectionGroupId:null});e.length==d.length&&(Ext.getCmp(b.id+"_save_button").enable(),Ext.getCmp(b.id+"_remove_button").enable(),b.capacityCombo.enable())}else b.containerSpreadSheet.disableAll();b.containerSpreadSheet.setLoading(!1),b.containerSpreadSheet.renderCrystalFormColumn&&b.setValuesForEditCrystalColumn()}};EXI.getDataAdapter({onSuccess:c}).mx.sample.getSamplesByContainerId(a.containerId)},PuckFormView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{autoScroll:!0,buttons:this.getToolBar(),items:[{xtype:"container",margin:"5 0 2 5",layout:"hbox",items:[{xtype:"container",margin:"12 0 2 0",layout:"hbox",items:[{xtype:"requiredtextfield",id:this.id+"puck_name",fieldLabel:"Name",name:"name",width:250,margin:"5 5 5 5",labelWidth:100},this.capacityCombo.getPanel(),{xtype:"textfield",id:this.id+"puck_beamline",fieldLabel:"Beamline",width:250,disabled:!0,margin:"5 5 5 10",labelWidth:100},{xtype:"textfield",id:this.id+"puck_sampleChangerLocation",fieldLabel:"#Sample Changer",width:300,disabled:!0,margin:"5 5 5 5",labelWidth:150},{xtype:"textfield",id:this.id+"puck_status",fieldLabel:"Status",width:250,disabled:!0,margin:"5 5 5 5",labelWidth:100}]}]},this.containerSpreadSheet.getPanel()]}),this.panel},PuckFormView.prototype.getToolBar=function(){var a=this;return[{text:"Remove",id:this.id+"_remove_button",width:100,height:30,disabled:!0,cls:"btn-red",handler:function(){function b(b){"yes"==b&&a.removePuck()}Ext.MessageBox.show({title:"Remove",msg:"Removing a puck from this parcel will remove also its content.
          Are you sure you want to continue?",buttons:Ext.MessageBox.YESNO,fn:b,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})}},"->",{text:"Save",id:this.id+"_save_button",width:100,height:30,disabled:!0,handler:function(){a.save()}},{text:"Return to shipment",width:200,height:30,handler:function(){a.returnToShipment()}}]},PuckFormView.prototype.removePuck=function(){var a=this;this.panel.setLoading();var b=function(b,c){a.panel.setLoading(!1),location.href="#/shipping/"+a.shippingId+"/main"};EXI.getDataAdapter({onSuccess:b}).proposal.shipping.removeContainerById(this.containerId,this.containerId,this.containerId)},PuckFormView.prototype.returnToShipment=function(){this.puck.code!=Ext.getCmp(this.id+"puck_name").getValue()&&(this.unsavedChanges=!0),this.unsavedChanges?this.showReturnWarning():location.href="#/shipping/"+this.shippingId+"/main"},PuckFormView.prototype.save=function(a){var b=this,c=this.containerSpreadSheet.getPuck();if(c.sampleVOs&&c.sampleVOs.length>0){var d=_.map(c.sampleVOs,"name");if(d.indexOf(null)>=0||d.indexOf("")>=0)return void $.notify("There are samples without a Sample Name","error")}c.code=Ext.getCmp(b.id+"puck_name").getValue(),c.capacity=b.capacityCombo.getSelectedCapacity(),c.containerType=b.capacityCombo.getSelectedType();var e=function(a,c){b.panel.setLoading(!1),EXI.setError(c.responseText)},f=function(c,d){b.unsavedChanges=!1,b.panel.setLoading(!1),a?location.href="#/shipping/"+b.shippingId+"/main":b.load(b.containerId,b.shippingId)};this.panel.setLoading("Saving Puck"),EXI.getDataAdapter({onSuccess:f,onError:e}).proposal.shipping.saveContainer(this.containerId,this.containerId,this.containerId,c)},PuckFormView.prototype.containerTypeChanged=function(a){var b=(this.capacityCombo.getTypeByCapacity(this.puck.capacity),this.capacityCombo.getTypeByCapacity(a));this.puck.capacity=a,this.containerSpreadSheet.setContainerType(b),this.containerSpreadSheet.updateNumberOfRows(a)},PuckFormView.prototype.setValuesForEditCrystalColumn=function(a){for(var b=this.containerSpreadSheet.parseTableData(),c=this.containerSpreadSheet.getColumnIndex("editCrystalForm"),d=0;d
          Do you want to save the changes to the container '+a.puck.code+"?
          "}],buttons:[{text:"Yes",handler:function(){b.close(),a.save(!0)}},{text:"No",handler:function(){b.close(),location.href="#/shipping/"+a.shippingId+"/main"}},{text:"Cancel",handler:function(){b.close()}}]});b.show()},ShipmentEditForm.prototype.load=function(a){this.shipment=a;var b=EXI.proposalManager.getLabcontacts(),c=$.extend(EXI.proposalManager.getLabcontacts(),[{cardName:"Same as for shipping to beamline",labContactId:-1},{cardName:"No return requested",labContactId:0}]),d="",e="",f="";a&&a.sessions.length>0&&(e=a.sessions[0].beamlineName,f=new Date(a.sessions[0].startDate).toLocaleDateString());var g=function(a,b){var c=new Date(a.BLSession_startDate),d=new Date(b.BLSession_startDate);return c===d?0:d>c?1:-1},h=EXI.proposalManager.getSessions();h.sort(g);for(var i=[],j=new Date((new Date).toDateString()),k=0;kn&&(n="0"+n),10>o&&(o="0"+o);var q=n+"/"+o+"/"+p;i.push({sessionId:l.sessionId,date:m.toLocaleDateString(),formattedDate:q,beamLineName:l.beamLineName})}}dust.render("shipping.edit.form.template",{id:this.id,sessions:i,to:c,from:b,beamlineName:e,startDate:f,shipment:a},function(a,b){d=b}),$("#"+this.id).hide().html(d).fadeIn("fast"),this.panel.doLayout()},ShipmentEditForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{html:'
          ',autoScroll:!1,padding:this.padding,width:this.width}]}),this.panel},ShipmentEditForm.prototype.saveShipment=function(){var a=this,b=$("#"+this.id+"-to").val(),c=$("#"+this.id+"-from").val(),d=null;if(this.shipment&&(d=this.shipment.shippingId),null==b)return void BUI.showError("User contact information for shipping to beamline is mandatory");"No return requested"==c&&(c=0),"Same as for shipping to beamline"==c&&(c=-1);var e=EXI.proposalManager.getLabcontactById(b),f={shippingId:d,name:$("#"+this.id+"-name").val(),status:"Not set",sendingLabContactId:b,returnLabContactId:c,returnCourier:c,courierAccount:e.courierAccount,billingReference:e.billingReference,dewarAvgCustomsValue:e.dewarAvgCustomsValue,dewarAvgTransportValue:e.dewarAvgTransportValue,comments:$("#"+this.id+"-comments").val(),sessionId:$("#"+this.id+"-date").val()},g=function(b,c){a.panel.setLoading(!1),a.onSaved.notify(c)};return""==f.name?void BUI.showError("Name field is mandatory"):null==f.sendingLabContactId?void BUI.showError("Lab contact for sending field is mandatory"):(this.panel.setLoading(),void EXI.getDataAdapter({onSuccess:g}).proposal.shipping.saveShipment(f))},ShipmentForm.prototype.load=function(a){this.shipment=a;var b=this,c=EXI.proposalManager.getLabcontacts(),d=$.extend(EXI.proposalManager.getLabcontacts(),[{cardName:"Same as for shipping to beamline",labContactId:-1},{cardName:"No return requested",labContactId:0}]),e="",f="",g="";a&&a.sessions.length>0&&(f=a.sessions[0].beamlineName,g=moment(a.sessions[0].startDate).format("DD/MM/YYYY")),dust.render("shipping.form.template",{id:this.id,to:c,from:d,beamlineName:f,startDate:g,shipment:a},function(a,b){e=b}),$("#"+b.id).hide().html(e).fadeIn("fast"),null!=a&&"processing"==a.shippingStatus||($("#"+b.id+"-edit-button").prop("disabled",!1),$("#"+b.id+"-edit-button").unbind("click").click(function(a){b.edit()})),this.panel.doLayout()},ShipmentForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{cls:"border-grid",html:'
          ',autoScroll:!1,margin:10,padding:this.padding,width:this.width}]}),this.panel},ShipmentForm.prototype.edit=function(a){var b=this,c=new ShipmentEditForm;c.onSaved.attach(function(a,c){b.shipment?b.load(c):b.onSaved.notify(c),d.close()});var d=Ext.create("Ext.window.Window",{title:"Shipment",height:450,width:600,modal:!0,layout:"fit",items:[c.getPanel()],buttons:[{text:"Save",handler:function(){c.saveShipment()}},{text:"Cancel",handler:function(){d.close()}}]}).show();c.load(this.shipment)},ShippingMainView.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"vbox",align:"center"},autoScroll:!0,cls:"border-grid",items:[this.shipmentForm.getPanel(),this.parcelGrid.getPanel()]}),this.panel},ShippingMainView.prototype.load=function(a){var b=this;if(this.shippingId=a,this.panel.setTitle("Shipment"),null!=a){this.panel.setLoading();var c=function(a,c){b.shipmentForm.load(c),b.parcelGrid.load(c),b.panel.setLoading(!1)};EXI.getDataAdapter({onSuccess:c}).proposal.shipping.getShipment(a)}else b.shipmentForm.load(),b.panel.setLoading(!1)},WelcomeMainView.prototype.getPanel=MainView.prototype.getPanel,WelcomeMainView.prototype.getContainer=function(){return{layout:{type:"fit"},items:[{html:"",margin:"50 0 0 50"}]}},WelcomeMainView.prototype.load=function(){},AddressEditForm.prototype.load=function(a){this.address={},a&&(this.address=a),this.address.id=this.id;var b="";dust.render("address.edit.form.template",this.address,function(a,c){b=c}),$("#"+this.id).hide().html(b).fadeIn("fast"),this.panel.doLayout()},AddressEditForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{items:[{html:'
          ',autoScroll:!1,margin:10,padding:this.padding,width:this.width}]}),this.panel},AddressEditForm.prototype.save=function(){var a=this,b=this.getAddress(),c=function(c,d){a.onSaved.notify(b)};EXI.getDataAdapter({onSuccess:c}).proposal.labcontacts.saveLabContact(b)},AddressEditForm.prototype.getAddress=function(){var a={};return a=this.address,a.labContactId||(a.labContactId=null),a.personVO||(a.personVO={},a.personVO.personId=null),a.personVO.emailAddress=$("#"+this.id+"-emailAddress").val(),a.personVO.familyName=$("#"+this.id+"-familyName").val(),a.personVO.givenName=$("#"+this.id+"-givenName").val(),a.personVO.phoneNumber=$("#"+this.id+"-phoneNumber").val(),a.personVO.faxNumber=$("#"+this.id+"-faxNumber").val(),a.cardName=$("#"+this.id+"-cardName").val(),a.courierAccount=$("#"+this.id+"-courierAccount").val(),a.defaultCourrierCompany=$("#"+this.id+"-defaultCourrierCompany").val(),a.dewarAvgCustomsValue=$("#"+this.id+"-dewarAvgCustomsValue").val(),a.dewarAvgTransportValue=$("#"+this.id+"-dewarAvgTransportValue").val(),a.billingReference=$("#"+this.id+"-billingReference").val(),a.labName=$("#"+this.id+"-labName").val(),a.labAddress=$("#"+this.id+"-labAddress").val(),a},AddressForm.prototype.getAddress=function(){return null==this.address&&(this.address={}),this.address.billingReference=Ext.getCmp(this.id+"billingReference").getValue(),this.address.cardName=Ext.getCmp(this.id+"cardName").getValue(),this.address.courierAccount=Ext.getCmp(this.id+"courierAccount").getValue(),this.address.defaultCourrierCompany=Ext.getCmp(this.id+"courrierCompany").getValue(),this.address.dewarAvgCustomsValue=Ext.getCmp(this.id+"dewarAvgCustomsValue").getValue(),this.address.dewarAvgTransportValue=Ext.getCmp(this.id+"dewarAvgTransportValue").getValue(),null==this.address.personVO&&(this.address.personVO={}),this.address.personVO.emailAddress=Ext.getCmp(this.id+"emailAddress").getValue(),this.address.personVO.familyName=Ext.getCmp(this.id+"familyName").getValue(),this.address.personVO.givenName=Ext.getCmp(this.id+"name").getValue(),this.address.personVO.faxNumber=Ext.getCmp(this.id+"faxNumber").getValue(),this.address.personVO.phoneNumber=Ext.getCmp(this.id+"phoneNumber").getValue(),this.address},AddressForm.prototype.load=function(a){this.address=a;var b="";dust.render("address.form.template",a,function(a,c){b=c}),$("#"+this.id).hide().html(b).fadeIn("fast"),this.panel.doLayout()},AddressForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{cls:"border-grid",title:"Shipping Address Card",buttons:this.getToolBar(),icon:"../images/icon/ic_email_black_24dp.png",items:[{html:'
          ',autoScroll:!1,margin:10,padding:this.padding,width:this.width}]}),this.panel},AddressForm.prototype.getToolBar=function(){var a=this;return[{text:"Edit",hidden:a.isSaveButtonHidden,width:100,handler:function(){a.edit()}}]},AddressForm.prototype.edit=function(a){var b=this,c=new AddressEditForm;c.onSaved.attach(function(a,c){d.close(),b.load(c)});var d=Ext.create("Ext.window.Window",{title:"Shipping Address Card",height:550,width:750,modal:!0,layout:"fit",items:[c.getPanel()],buttons:[{text:"Save",handler:function(){c.save()}},{text:"Cancel",handler:function(){d.close()}}]}).show();c.load(this.address)},AuthenticationForm.prototype.show=function(){this.window=Ext.create("Ext.window.Window",{title:"Login",height:250,closable:!1,width:450,modal:!0,layout:"fit",items:[this.getPanel()]}),this.window.show()},AuthenticationForm.prototype.getAuthenticationForm=function(){if(ExtISPyB.sites&&ExtISPyB.sites.length>1){var a=Ext.create("Ext.data.Store",{fields:["name","url","exiUrl"],data:ExtISPyB.sites});return{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"User",name:"user",margin:"10 0 0 10",allowBlank:!1},{xtype:"textfield",fieldLabel:"Password",margin:"10 0 0 10",name:"password",allowBlank:!1,inputType:"password"},{xtype:"combo",fieldLabel:"Choose site",name:"site",store:a,allowBlank:!1,valueField:"url",displayField:"name",margin:"10 0 0 10"}]}}return{xtype:"container",layout:"vbox",items:[{xtype:"textfield",fieldLabel:"User",name:"user",margin:"30 0 0 10",allowBlank:!1},{xtype:"textfield",fieldLabel:"Password",margin:"10 0 0 10",name:"password",allowBlank:!1,inputType:"password"}]}},AuthenticationForm.prototype.getIconForm=function(){return this.singleSite?{xtype:"image",src:this.site.icon,width:75,height:75,margin:"30 0 0 10"}:void 0},AuthenticationForm.prototype.getPanel=function(){var a=this;return ExtISPyB.sites&&1==ExtISPyB.sites.length&&(this.singleSite=!0,this.siteURL=ExtISPyB.sites[0].url,this.site=ExtISPyB.sites[0],this.icon=ExtISPyB.sites[0].icon),Ext.create("Ext.form.Panel",{bodyPadding:5,width:370,layout:"vbox",defaults:{anchor:"90%"},defaultType:"textfield",items:[{xtype:"container",layout:"hbox",items:[this.getIconForm(),this.getAuthenticationForm()]}],buttons:[{text:"Login",formBind:!0,disabled:!0,handler:function(){var b=this.up("form").getForm(),c=null;a.singleSite||(a.siteURL=b.getFieldValues().site);for(var d=0;d
          Code: '+d+'
          Select one of the options below:
          '}],buttons:[{text:"Edit",handler:function(){"StockSolution"==a.type?location.href="#/stocksolution/"+a.containerId+"/main":"OTHER"==a.type?a.openEditOtherContainerForm():location.href="#/shipping/"+a.shippingId+"/"+a.shippingStatus+"/containerId/"+a.containerId+"/edit",e.close()}},{text:"Remove",disabled:"processing"==a.shippingStatus,handler:function(){a.removeButtonClicked(),e.close()}},{text:"Cancel",handler:function(){e.close()}}]});e.show()}),this.container.onMouseOver.attach(function(a,b){b.focus(!0)}),this.container.onMouseOut.attach(function(a,b){b.focus(!1)});var b=2*this.data.mainRadius+5;return this.containerPanel=Ext.create("Ext.panel.Panel",{width:this.width,height:b,items:[this.container.getPanel()]}),this.panel=Ext.create("Ext.panel.Panel",{layout:{type:"vbox",align:"center",pack:"center"},width:this.width,height:this.height,items:[this.containerPanel]}),this.height>=45&&this.panel.insert({html:"
          "+this.data.code+"
          ",height:.25*this.height,width:this.width}),this.panel},ContainerParcelPanel.prototype.load=function(a){this.containerPanel.removeAll(),this.containerPanel.add(this.container.getPanel()),a.length>0&&(this.container.loadSamples(a),this.container.containerId||(this.container.containerId=this.containerId));var b=_.filter(a,{DataCollectionGroup_dataCollectionGroupId:null});b.lengthAre you sure you want to continue?",buttons:Ext.MessageBox.YESNO,fn:a,animateTarget:"mb4",icon:Ext.MessageBox.QUESTION})},ContainerParcelPanel.prototype.openEditOtherContainerForm=function(){var a=this,b=new OtherContainerForm;b.onSave.attach(function(b,d){$("#"+a.id+"-name").html(d.code),a.container.samples=d.sampleVOs,a.container.capacity=d.capacity,c.close()}),b.onCancel.attach(function(a){c.close()});var c=Ext.create("Ext.window.Window",{title:"Container",height:600,width:1500,modal:!0,layout:"fit",items:[b.getPanel()],listeners:{afterrender:function(c,d){b.load(a.container)}}});c.show()},ContainerTypeComboBox.prototype.getPanel=function(){var a=this,b=Ext.create("Ext.data.Store",{fields:["type","capacity"],data:this.data});return this.panel=Ext.create("Ext.form.ComboBox",{layout:"fit",margin:"5 0 5 5",fieldLabel:this.label,store:b,labelStyle:"padding:5px",labelWidth:this.labelWidth,displayField:"type",value:"UNIPUCK",width:this.width,disabled:this.initDisabled}),this.panel.on("select",function(b,c){a.onSelected.notify(c[0].data)}),this.panel},ContainerTypeComboBox.prototype.getValue=function(){return this.panel.getValue()},ContainerTypeComboBox.prototype.getSelectedType=function(){var a=this.panel.getValue();return"UNIPUCK"!=a&&"SPINE"!=a||(a="Puck"),a},ContainerTypeComboBox.prototype.getSelectedCapacity=function(){return _.filter(this.data,{type:this.getValue()})[0].capacity},ContainerTypeComboBox.prototype.getTypeByCapacity=function(a){return _.filter(this.data,{capacity:a})[0].type},ContainerTypeComboBox.prototype.setValue=function(a){var b=this.getTypeByCapacity(a);this.panel.setValue(b)},ContainerTypeComboBox.prototype.enable=function(){this.panel.enable()},ContainerWidget.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{id:this.id+"-container",x:this.templateData.xMargin,y:this.templateData.yMargin,width:this.templateData.width+1,height:this.templateData.height+1,frame:!1,border:!1,bodyStyle:"background:transparent;",items:[{html:this.getSVG(),width:this.templateData.width+1,height:this.templateData.height+1}]}),this.panel.on("boxready",function(){a.templateData.enableMainClick&&$("#"+a.id).unbind("click").click(function(b){a.onClick.notify(b.target.id)}),a.templateData.enableMainMouseOver&&($("#"+a.id).unbind("mouseover").mouseover(function(b){a.onMouseOver.notify(a)}),$("#"+a.id).unbind("mouseout").mouseout(function(b){a.onMouseOut.notify(a)}))}),this.panel},ContainerWidget.prototype.loadSamples=function(a){this.samples=a,a&&a.length>0&&(this.containerId=a[0].Container_containerId)},ContainerWidget.prototype.getSVG=function(a){var b="";return dust.render("container.widget.template",this.templateData,function(a,c){b=c}),b},ContainerWidget.prototype.focus=function(a){a?$("#"+this.id).addClass("puck-selected"):$("#"+this.id).removeClass("puck-selected")},CurvePlotter.prototype.getPanel=function(){return this.plotPanel=Ext.create("Ext.container.Container",{layout:{type:"hbox"},flex:.7,margin:this.margin,items:[{html:'
          ',id:this.id}]}),this.plotPanel.on("afterrender",function(){}),this.plotPanel.on("resize",function(){}),this.plotPanel},CurvePlotter.prototype.getPointCount=function(){return this.dygraph.rawData_.length},CurvePlotter.prototype.getColors=function(){return this.dygraph.getColors()},CurvePlotter.prototype.getLabels=function(){return this.dygraph.getLabels()},CurvePlotter.prototype.render=function(a){var b=this;null!=document.getElementById(this.targetId)&&(document.getElementById(this.targetId).innerHTML="",this.width=this.plotPanel.getWidth(),this.height=this.plotPanel.getHeight(),document.getElementById(this.targetId).setAttribute("style","border: 1px solid #000000; height:"+(this.plotPanel.getHeight()-1)+"px;width:"+(this.plotPanel.getWidth()-2)+"px;"),Ext.getCmp(this.id).setHeight(this.plotPanel.getHeight()),Ext.getCmp(this.id).setWidth(this.plotPanel.getWidth()),this.dygraph=new Dygraph(document.getElementById(this.targetId),a,{title:this.title,titleHeight:20,legend:this.legend,labelsSeparateLines:!0,errorBars:!0,connectSeparatedPoints:!0,pointClickCallback:function(a,c){b.onPointClickCallback.notify(c.name)}}),this.dygraph.ready(function(){b.onRendered.notify()}))},CurvePlotter.prototype.loadMerge=function(a,b,c,d){this.render(EXI.getDataAdapter().saxs.hplc.getFramesMergeURL(a,b,c,d))},CurvePlotter.prototype.loadHPLCFrame=function(a,b){this.render(EXI.getDataAdapter().saxs.hplc.getHPLCFramesScatteringURL(a,b))},CurvePlotter.prototype.loadUrl=function(a){this.render(a)},CurvePlotter.prototype.load=function(a){this.render(EXI.getDataAdapter().saxs.frame.getFramesURL(a.frame,a.average,a.subtracted,a.sampleaverage,a.bufferaverage))},AutoProcIntegrationCurvePlotter.prototype.getPointCount=CurvePlotter.prototype.getPointCount,AutoProcIntegrationCurvePlotter.prototype.getLabels=CurvePlotter.prototype.getLabels,AutoProcIntegrationCurvePlotter.prototype.toCSV=function(a,b){for(var c=a.toString()+"\n",d=0;d
          '},AutoProcIntegrationCurvePlotter.prototype.getPanel=function(){return this.plotPanel=Ext.create("Ext.panel.Panel",{layout:{type:"fit"},height:this.height,margin:this.margin,items:[{html:this.getHTML(),id:this.id,style:{border:"1px solid black"},height:this.height,border:1}]}),this.plotPanel},ParcelPanel.prototype.load=function(a,b){var c=this;this.dewar=a,this.dewar.index=this.index,this.shipment=b;var d="";dust.render("parcel.panel.template",{id:this.id,dewar:this.dewar,height:this.height,width:this.width},function(a,b){d=b}),$("#"+this.id).hide().html(d).fadeIn("fast"),this.panel.doLayout(),"processing"!=this.shippingStatus&&($("#"+this.id+"-add-button").removeClass("disabled"),$("#"+this.id+"-add-button").click(function(){c.showAddContainerForm()}),$("#"+this.id+"-edit-button").removeClass("disabled"),$("#"+this.id+"-edit-button").click(function(){c.showCaseForm()})),$("#"+this.id+"-print-button").click(function(){var a=c.dewar.dewarId,b=EXI.getDataAdapter().proposal.shipping.getDewarLabelURL(a,a);location.href=b}),this.containersPanel=Ext.create("Ext.panel.Panel",{id:this.id+"-containers-panel",cls:"border-grid-light",margin:0*this.height+" 0 "+.05*this.height+" 0",width:this.containersPanelWidth,height:this.containersPanelHeight,autoScroll:!1,items:[],renderTo:this.id+"-container-panel-div"}),this.renderShipmentParameters(a),this.renderPucks(a)},ParcelPanel.prototype.renderShipmentParameters=function(a){var b="";dust.render("parcel.panel.parameter.table.template",{id:this.id,dewar:a,height:this.height},function(a,c){b=c}),$("#"+this.id+"-parameters-div").hide().html(b).fadeIn("fast"),""!=a.comments&&null!=a.comments?($("#"+this.id+"-comments").hide().html("Comments: "+a.comments).fadeIn("fast"),$("#"+this.id+"-index-td").attr("rowspan",2),$("#"+this.id+"-buttons-td").attr("rowspan",2),this.panel.setHeight(this.height+25)):(this.panel.setHeight(this.height),$("#"+this.id+"-index-td").attr("rowspan",1),$("#"+this.id+"-buttons-td").attr("rowspan",1)),this.panel.doLayout()},ParcelPanel.prototype.renderPucks=function(a){var b=this;if(this.containersPanel.setLoading(!1),null!=a&&null!=a.containerVOs){this.containersPanel.removeAll();var c=EXI.proposalManager.getStockSolutionsByDewarId(a.dewarId);if(a.containerVOs.length)var d=Math.floor(this.containersPanel.width/this.containersParcelWidth);null==d&&(d=Math.floor(this.containersPanel.width/this.containersParcelWidth));for(var e=Math.ceil((this.dewar.containerVOs.length+c.length)/d),f=[],g=0;e>g;g++){var h=Ext.create("Ext.panel.Panel",{layout:"hbox",width:this.containersPanelWidth,height:this.containersPanelHeight/e,autoScroll:!1,items:[]});f.push(h),this.containersPanel.insert(h)}a.containerVOs.sort(function(a,b){return a.containerId-b.containerId});for(var i={},j=[],g=0;g0&&(d.beamlineLocation=b.shipment.sessions[0].beamlineName),d.sampleVOs=[],b.dewar.containerVOs.push(d);var e=function(a){b.renderPucks(b.dewar)},f=function(a,c){EXI.setError(c.responseText),b.renderPucks(b.dewar)};EXI.getDataAdapter({onSuccess:e,onError:f}).proposal.shipping.saveContainer(b.shippingId,b.dewar.dewarId,d.containerId,d)};EXI.getDataAdapter({onSuccess:d}).proposal.shipping.addContainer(this.shippingId,this.dewar.dewarId,a.containerType,a.capacity)}},ParcelPanel.prototype.showCaseForm=function(){var a=this,b=new CaseForm,c=Ext.create("Ext.window.Window",{title:"Parcel",height:450,width:600,modal:!0,layout:"fit",items:[b.getPanel(a.dewar)],buttons:[{text:"Save",handler:function(){a.onSavedClick.notify(b.getDewar()),c.close(),a.renderShipmentParameters(a.dewar)}},{text:"Cancel",handler:function(){c.close()}}]});c.show()},ParcelPanel.prototype.showAddContainerForm=function(){var a=this,b=new AddContainerForm;b.onSave.attach(function(b,d){a.addContainerToDewar(d),c.close()}),b.onCancel.attach(function(a){c.close()});var c=Ext.create("Ext.window.Window",{title:"Container",height:450,width:600,modal:!0,layout:"fit",items:[b.getPanel(a.dewar)]});c.show()},ParcelPanel.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{cls:"border-grid",margin:10,height:this.height,width:this.width,autoScroll:!1,items:[{html:'
          ',autoScroll:!1,padding:this.padding,width:this.width}]}),this.panel},ProposalGrid.prototype.load=function(a){this.data=a,this.store.loadData(a,!1)},ProposalGrid.prototype.getFilter=function(a){return[{property:"Proposal_proposalNumber",value:a,anyMacth:!0}]},ProposalGrid.prototype.filter=function(a){},ProposalGrid.prototype._getTbar=function(){var a=this,b=[];return b.push({xtype:"textfield",name:"field1",emptyText:"search by number",hidden:this.isHidden,listeners:{change:function(b,c){var d=b.getValue();""!=d?a.store.filter(a.getFilter(b.getValue())):(a.store.clearFilter(!0),a.load(a.data))}}}),b},ProposalGrid.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{fields:["Proposal_proposalId","Proposal_title","Proposal_proposalCode","Proposal_proposalNumber","Proposal_proposalType"]}),this.store.sort(["Proposal_proposalCode","Proposal_proposalNumber"]),this.panel=Ext.create("Ext.grid.Panel",{title:"Proposals",store:this.store,tbar:this._getTbar(),layout:"fit",cls:"border-grid",height:this.height,margin:this.margin,emptyText:"No proposals",columns:[{text:"Proposal",dataIndex:"Proposal_code",width:125,renderer:function(a,b,c){return""+c.data.Proposal_proposalCode+c.data.Proposal_proposalNumber+""}},{text:"Code",dataIndex:"Proposal_number",width:75,hidden:!0},{text:"Number",dataIndex:"number",width:75,hidden:!0},{text:"Title",dataIndex:"Proposal_title",flex:1}],flex:1,viewConfig:{stripeRows:!0,listeners:{cellclick:function(b,c,d,e,f,g,h,i){a.onSelected.notify(e.data)}}}}),this.tbar&&this.panel.addDocked({xtype:"toolbar",cls:"toolBarGrid",height:48,items:this._getTbar()}),this.panel},SessionGrid.prototype.load=function(a){this.sessions=_.filter(a,function(a){return _.includes(EXI.credentialManager.getBeamlineNames(),a.beamLineName)}),this.store.loadData(this.sessions,!1)},SessionGrid.prototype.filterByBeamline=function(a){if(console.log(a),a)if(a.length>0){for(var b=[],c=0;c"+moment(c.data.BLSession_startDate,"MMMM Do YYYY, h:mm:ss a").format("MMMM Do YYYY")+"":void 0}},{text:"Beamline",dataIndex:"beamLineName",width:125,hidden:!1,renderer:function(a,b,c){var d="#";return d="SAXS"==EXI.credentialManager.getTechniqueByBeamline(c.data.beamLineName)?"#/session/nav/"+c.data.sessionId+"/session":"#/mx/datacollection/session/"+c.data.sessionId+"/main",""+c.data.beamLineName+""}},{text:"Proposal",dataIndex:"Proposal_ProposalNumber",flex:1,hidden:!1,renderer:function(a,b,c){var d=c.data.Proposal_proposalCode+c.data.Proposal_ProposalNumber;return""+d+""}},{text:"Shifts",dataIndex:"nbShifts",hidden:this.isHiddenNumberOfShifts,flex:1},{text:"Local Contact",dataIndex:"beamLineOperator",width:200,hidden:this.isHiddenLocalContact,flex:1},{text:"Title",dataIndex:"Proposal_title",width:200,hidden:this.isHiddenTitle,flex:4},{text:"PI",dataIndex:"Proposal_title",width:200,hidden:this.isHiddenPI,renderer:function(a,b,c){return c.data.Person_familyName+", "+c.data.Person_givenName}},{text:"e-mail",dataIndex:"Person_emailAddress",width:200,hidden:!0,flex:1},{text:"Data Collections",dataIndex:"Person_emailAddress",width:200,renderer:function(a,b,c){function d(a,b){return b&&0!=b?''+b+''+a+"":""}function e(a){var b="";return b=b+=d("Energy",a.data.energyScanCount),b+=d("XRF",a.data.xrfSpectrumCount),b+=d("Samples",a.data.sampleCount),b+=d("Test",a.data.testDataCollectionGroupCount),b+=d("Collects",a.data.dataCollectionGroupCount),b+=d("Calibration",a.data.calibrationCount),b+=d("Sample Changer",a.data.sampleChangerCount),b+=d("HPLC",a.data.hplcCount),b+"
          "}return e(c)}},{text:"End",dataIndex:"BLSession_endDate",hidden:!0,flex:1,renderer:function(a,b,c){return c.data.BLSession_endDate}},{text:"Comments",dataIndex:"comments",hidden:!1,flex:3,renderer:function(a,b,c){return c.data.comments?"
          "+c.data.comments+"
          ":void 0}}],viewConfig:{stripeRows:!0,getRowClass:function(a,b,c,d){}},listeners:{cellclick:function(b,c,d,e,f,g,h,i){a.onSelected.notify({proposalCode:e.data.Proposal_proposalCode,proposalNumber:e.data.Proposal_ProposalNumber})}}}),this.panel},StockSolutionContainer.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{id:this.id+"-container",x:this.templateData.xMargin,y:this.templateData.yMargin,width:this.templateData.width+1,height:this.templateData.height+1,cls:"border-grid",frame:!1,border:!1,bodyStyle:"background:transparent;",items:[{html:this.getHTML(),width:this.templateData.width+1,height:this.templateData.height+1}]}),this.panel.on("boxready",function(){a.templateData.enableMainClick&&$("#"+a.id).unbind("click").click(function(b){a.onClick.notify(b.target.id)}),a.setOnMouseOverEvent()}),this.panel},StockSolutionContainer.prototype.loadSamples=function(a){this.samples=a,a&&a.length>0&&(this.containerId=a[0].Container_containerId)},StockSolutionContainer.prototype.getHTML=function(a){var b="";return this.templateData.height<40?this.templateData.fillPanel=!1:this.templateData.fillPanel=!0,dust.render("stock.solution.container.template",this.templateData,function(a,c){b=c}),b},StockSolutionContainer.prototype.setOnMouseOverEvent=function(){var a=this;$("#"+this.id).unbind("mouseover").mouseover(function(b){if(a.onMouseOver.notify(a),a.templateData.height<40){var c=b.currentTarget.id;$("#"+c).addClass("stock-solution-focus");var d="";dust.render("stock.solution.tooltip.template",a.templateData,function(a,b){d=b}),$("body").append(d),$("#hoveringTooltipDiv-"+a.stockSolutionId).css({top:$(this).offset().top,left:$(this).offset().left+a.templateData.width})}}),$("#"+this.id).unbind("mouseout").mouseout(function(b){if(a.onMouseOut.notify(a),a.templateData.height<40){var c=b.currentTarget.id;$("#"+c).removeClass("stock-solution-focus"),$("#hoveringTooltipDiv-"+a.stockSolutionId).remove()}})},StockSolutionContainer.prototype.focus=function(a){a?$("#"+this.id+"-container").addClass("stock-solution-selected"):$("#"+this.id+"-container").removeClass("stock-solution-selected")},StockSolutionsGrid.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{storeId:"stockSolutionsGridStore",fields:["acronym","buffer","concentration","volume"],data:[]}),this.panel=Ext.create("Ext.grid.Panel",{width:this.width,border:1,store:this.store,disableSelection:!1,flex:.5,columns:[{header:"Acronym",dataIndex:"acronym",type:"text",flex:1,readOnly:!0},{header:"Buffer",dataIndex:"buffer",type:"text",flex:1,readOnly:!0},{header:"Concentration (mg/ml)",dataIndex:"concentration",type:"text",flex:1,readOnly:!0},{header:"Volume (μl)",dataIndex:"volume",type:"text",flex:1,readOnly:!0}],listeners:{itemclick:function(b,c,d,e,f){a.onSelected.notify(c)}}}),this.panel},StockSolutionsGrid.prototype.load=function(a){this.stockSolutions=a;for(var b=[],c=0;c0){var a=EXI.credentialManager.getCredentials()[0].username,b=EXI.credentialManager.getCredentialByUserName(EXI.credentialManager.getCredentials()[0].username);b.isManager()?location.hash="/welcome/manager/"+a+"/main":location.hash="/welcome/user/"+a+"/main"}else BUI.showError("You should sign up");else BUI.showError("You should sign up")}}},TrackingMainMenu.prototype.getShipmentItem=function(){return{text:this._convertToHTMLWhiteSpan("Shipments"),cls:"ExiSAXSMenuToolBar",icon:"../images/icon/ic_email_black_24dp.png",handler:function(){location.hash="/proposal/shipping/nav"}}},TrackingMainMenu.prototype.getAddressesItem=function(){return{text:this._convertToHTMLWhiteSpan("Lab-contacts"),cls:"ExiSAXSMenuToolBar",icon:"../images/icon/contacts.png",handler:function(){location.hash="/proposal/addresses/nav"}}},TrackingMainMenu.prototype.getMenuItems=function(){return[this.getHomeItem(),this.getShipmentItem(),this.getAddressesItem(),"->",{xtype:"textfield",name:"field1",emptyText:"search shipment",hidden:this.isHidden,listeners:{specialkey:function(a,b){alert("To be implemented")}}}]},TestController.prototype.loadNavigationPanel=ExiController.prototype.loadNavigationPanel,TestController.prototype.setPageBackground=function(){},TestController.prototype.notFound=function(){},TestController.prototype.init=function(){var a,b=this;Path.map("#/test/test1").to(function(){EXI.clearNavigationPanel(),EXI.hideNavigationPanel();var a=new TestListView;EXI.addNavigationPanel(a),EXI.setLoadingNavigationPanel("Loading my data"),a.load([{name:"Lisa",email:"lisa@simpsons.com",phone:"555-111-1224"},{name:"Bart",email:"bart@simpsons.com",phone:"555-222-1234"},{name:"Homer",email:"homer@simpsons.com",phone:"555-222-1244"},{name:"Marge",email:"marge@simpsons.com",phone:"555-222-1254"}]),EXI.setLoadingNavigationPanel(!1)}).enter(this.setPageBackground),Path.map("#/test/test2").to(function(){EXI.clearNavigationPanel(),EXI.clearMainPanel(),EXI.setLoadingNavigationPanel(!0),a=new TestListView,a.onSelect.attach(function(a,b){location.hash="/test/test3/"+b[0].BLSample_crystalId+"/main"}),EXI.addNavigationPanel(a),adapter=b.loadNavigationPanel(a),adapter.mx.sample.getSampleInfoByProposalId()}).enter(this.setPageBackground),Path.map("#/test/test3/:crystalId/main").to(function(){var a=new TestMainView(this.params.crystalId);EXI.addMainPanel(a),console.log(this.params.crystalId),a.load(this.params.crystalId)}).enter(this.setPageBackground),Path.map("#/test/test4").to(function(){EXI.clearNavigationPanel();var a=new PuckWidgetView;EXI.addMainPanel(a);var b=function(b,c){a.load(c)};EXI.getDataAdapter({onSuccess:b}).proposal.shipping.getContainerById(333486,333486,333486)}).enter(this.setPageBackground),Path.rescue(this.notFound)},SampleForm.prototype.load=function(a){this.sample=a,null!=a&&Ext.getCmp("sampleName"+this.id).setValue(a.sampleName)},SampleForm.prototype.getSamplePanel=function(){return this.samplePanel=Ext.create("Ext.panel.Panel",{layout:"vbox",margin:"10",items:[{padding:10,xtype:"container",layout:"hbox",border:!1,items:[{xtype:"displayfield",id:"sampleName"+this.id,fieldLabel:"Sample Name",name:"sampleName"}]}]}),this.samplePanel},SampleForm.prototype.getPanel=function(){return this.panel=Ext.create("Ext.panel.Panel",{layout:"vbox",title:"Sample Card",cls:"border-grid",items:[this.getSamplePanel()]}),this.panel},TestContainer.prototype.getPanel=function(){return this.container},TestContainer.prototype.add=function(a){this.container.add(a)},TestListView.prototype.getPanel=ListView.prototype.getPanel,TestListView.prototype.load=ListView.prototype.load,TestListView.prototype.getFields=ListView.prototype.getFields,TestListView.prototype.getColumns=ListView.prototype.getColumns,TestListView.prototype.getRow=function(a){var b="";return dust.render("test.template",a.data,function(a,c){b=c}),b},TestListView.prototype.getFilter=function(a){return[{property:"sampleName",value:a,anyMatch:!0}]},TestMainPanel.prototype.getPanel=ListView.prototype.getPanel,TestMainPanel.prototype.load=ListView.prototype.load,TestMainPanel.prototype.getFields=ListView.prototype.getFields,TestMainPanel.prototype.getColumns=ListView.prototype.getColumns,TestMainPanel.prototype.getRow=function(a){var b="";return dust.render("test.template.main",a.data,function(a,c){b=c}),b},TestMainPanel.prototype.getFilter=function(a){return[{property:"sampleName",value:a,anyMatch:!0}]},TestMainWidgetPanel.prototype.getPanel=ListView.prototype.getPanel,TestMainWidgetPanel.prototype.load=ListView.prototype.load,TestMainWidgetPanel.prototype.getFields=ListView.prototype.getFields,TestMainWidgetPanel.prototype.getColumns=ListView.prototype.getColumns,TestMainWidgetPanel.prototype.getRow=function(a){var b="1";return b},TestMainWidgetPanel.prototype.getFilter=function(a){return[{property:"sampleName",value:a,anyMatch:!0}]},ElectronDensityViewer.prototype.getPanel=function(){var a=this;return this.panel=Ext.create("Ext.panel.Panel",{buttons:this.getToolBar(),items:[{html:'
          ',height:800}]}),this.panel.on("boxready",function(){a.load()}),this.panel},ElectronDensityViewer.prototype.load=function(){var a=this,b="";dust.render("electron.density.viewer.template",a.sample,function(a,c){b+=c}),$(document.body).html(b),init_gui(),this.XV=new XtalViewer("Viewer",null,!0,!0),draw_selection_console(this.XV),this.XV.animate(),getQuery(this.XV)||(this.XV.load_pdb("data/1mru.pdb","1mru"),this.XV.load_dsn6_map("data/1mru.omap","2mFo-Dfc",0),this.XV.animate()),this.XV.enable_leap_motion()},ElectronDensityViewer.prototype.getToolBar=function(){var a=this;return[{xtype:"button",text:"Debugger",handler:function(){a.XV}}]},PuckWidgetView.prototype.getPanel=function(){var a=this;return this.store=Ext.create("Ext.data.Store",{storeId:"samplePanelId",fields:["acronym","state","code","type","name","location","holder","looptype"],data:[]}),this.grid=Ext.create("Ext.grid.Panel",{margin:20,title:"Samples",store:Ext.data.StoreManager.lookup("samplePanelId"),columns:[{text:"Crystal protein acronym",dataIndex:"acronym"},{text:"State",dataIndex:"state"},{text:"Code",dataIndex:"code"},{text:"Container type",dataIndex:"type"},{text:"Name",dataIndex:"name"},{text:"Location",dataIndex:"location"},{text:"Holder",dataIndex:"holder"},{text:"Looptype",dataIndex:"looptype"}],height:200,width:700,listeners:{itemmouseenter:function(b,c,d){a.widget.focus(c.data.location,!0)},itemmouseleave:function(b,c,d){a.widget.focus(c.data.location,!1)}}}),this.panel=Ext.create("Ext.panel.Panel",{layout:"hbox",items:[this.grid,this.widget.getPanel()]}),this.panel},PuckWidgetView.prototype.load=function(a){var b=this;b.panel.setTitle("Test Widget");var c=[],d=["Filled","Collected","Results","Collected"];for(sample in a.sampleVOs)c.push({acronym:a.sampleVOs[sample].crystalVO.proteinVO.acronym,code:a.code,type:a.containerType,name:a.sampleVOs[sample].crystalVO.proteinVO.name,location:a.sampleVOs[sample].location,holder:a.sampleVOs[sample].holderLength,looptype:a.sampleVOs[sample].loopType,state:d[sample]});this.store.loadData(c),this.widget.load(c)},TestMainView.prototype.getPanel=MainView.prototype.getPanel,TestMainView.prototype.getContainer=function(){return Ext.create("Ext.container.Container",{layout:{type:"hbox"},margin:15,border:1,defaults:{labelWidth:80,flex:1},items:[this.testMainPanel.getPanel([])]})},TestMainView.prototype.load=function(a){this.panel.setTitle("Sample");var b=this,c=function(a,c){b.testMainPanel.load(c)};EXI.getDataAdapter({onSuccess:c}).mx.sample.getSamplesByCrystalId(b.crystalId)},function(a){function b(a,b){return a.w('
          ")}return a.register("address.edit.form.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
          ")}return a.register("address.form.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
          cardName:").f(b.getPath(!0,["cardName"]),b,"h").w("
          Familiy Name:").f(b.getPath(!0,["personVO","familyName"]),b,"h").w("
          Name:").f(b.getPath(!0,["personVO","givenName"]),b,"h").w("
          Email:").f(b.getPath(!0,["personVO","emailAddress"]),b,"h").w("
          ")}return a.register("address.listview",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w("
          ").f(b.get(["text"],!1),b,"h").w("
          ")}return a.register("basic.tooltip.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
          ').s(b.get(["values"],!1),b,{block:c},{}).w("
          ")}function c(a,b){return a.w('').f(b.getPath(!0,[]),b,"h").w("")}return a.register("bootstrap.grid.template",b),b.__dustBody=!0,c.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
          ')}return a.register("buttons.puck.parcel.shipping.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
          ')}return a.register("container.parcel.buttons.template",b),b.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
          ')}function c(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function d(a,b){return a.f(b.get(["mainRadius"],!1),b,"h")}function e(a,b){return a.w("cursor:pointer;")}return a.register("container.widget.template",b),b.__dustBody=!0,c.__dustBody=!0,d.__dustBody=!0,e.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
          ")}function c(a,b){return a.w("")}function d(a,b){return a.w("selected")}function e(a,b){return a.f(b.getPath(!0,[]),b,"h")}function f(a,b){return a.f(b.get(["spaceGroup"],!1),b,"h")}return a.register("crystal.edit.form.template",b),b.__dustBody=!0,c.__dustBody=!0,d.__dustBody=!0,e.__dustBody=!0,f.__dustBody=!0,b}(dust),function(a){function b(a,b){return a.w('
          Protein
          Protein acronym').f(b.getPath(!1,["crystalVO","proteinVO","acronym"]),b,"h").w("
          Name").f(b.getPath(!0,["name"]),b,"h").w("
          Comments").f(b.getPath(!0,["comments"]),b,"h").w('
          A
          ').f(b.getPath(!0,["crystalVO","cellA"]),b,"h").w('
          B
          ').f(b.getPath(!0,["crystalVO","cellB"]),b,"h").w('
          C
          ').f(b.getPath(!0,["crystalVO","cellC"]),b,"h").w('
          α
          ').f(b.getPath(!0,["crystalVO","cellAlpha"]),b,"h").w('
          β
          ').f(b.getPath(!0,["crystalVO","cellBeta"]),b,"h").w('
          γ
          ').f(b.getPath(!0,["crystalVO","cellGamma"]),b,"h").w('
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        ");}body_4.__dustBody=!0;function body_5(chk,ctx){return chk.w(">").f(ctx.getPath(true, ["rg"]),ctx,"h").w(" nm");}body_5.__dustBody=!0;function body_6(chk,ctx){return chk.w("class='notavailablefield'>NA");}body_6.__dustBody=!0;function body_7(chk,ctx){return chk.w(">").f(ctx.getPath(true, ["points"]),ctx,"h");}body_7.__dustBody=!0;function body_8(chk,ctx){return chk.w("class='notavailablefield'>NA");}body_8.__dustBody=!0;function body_9(chk,ctx){return chk.w(">").f(ctx.getPath(true, ["I0"]),ctx,"h").w(" ± ").f(ctx.getPath(true, ["I0Stdev"]),ctx,"h").w("");}body_9.__dustBody=!0;function body_10(chk,ctx){return chk.w("class='notavailablefield'>NA");}body_10.__dustBody=!0;function body_11(chk,ctx){return chk.w(">").f(ctx.getPath(true, ["rgGnom"]),ctx,"h").w(" nm");}body_11.__dustBody=!0;function body_12(chk,ctx){return chk.w("class='notavailablefield'>NA");}body_12.__dustBody=!0;function body_13(chk,ctx){return chk.w(">").f(ctx.getPath(true, ["total"]),ctx,"h");}body_13.__dustBody=!0;function body_14(chk,ctx){return chk.w("class='notavailablefield'>NA");}body_14.__dustBody=!0;function body_15(chk,ctx){return chk.w(">").f(ctx.getPath(true, ["dmax"]),ctx,"h").w(" nm");}body_15.__dustBody=!0;function body_16(chk,ctx){return chk.w("class='notavailablefield'>NA");}body_16.__dustBody=!0;function body_17(chk,ctx){return chk.w(">").f(ctx.getPath(true, ["volumePorod"]),ctx,"h").w(" nm3");}body_17.__dustBody=!0;function body_18(chk,ctx){return chk.w("class='notavailablefield'>NA");}body_18.__dustBody=!0;function body_19(chk,ctx){return chk.w(">").f(ctx.getPath(true, ["mmvolest"]),ctx,"h").w(" kD");}body_19.__dustBody=!0;function body_20(chk,ctx){return chk.w("class='notavailablefield'>NA");}body_20.__dustBody=!0;function body_21(chk,ctx){return chk.w("\"Image \"Image \"Image \"Image
        ").x(ctx.get(["dataReduction"], false),ctx,{"else":body_22,"block":body_23},{}).w(" Data Reduction
        ").x(ctx.get(["abinitio"], false),ctx,{"else":body_24,"block":body_25},{}).w(" Abinitio
        ").x(ctx.get(["fit"], false),ctx,{"else":body_26,"block":body_27},{}).w(" Fit
        ").x(ctx.get(["superposition"], false),ctx,{"else":body_28,"block":body_29},{}).w(" Superposition
        ").x(ctx.get(["rigidBody"], false),ctx,{"else":body_30,"block":body_31},{}).w(" Rigid Body
        ");}body_21.__dustBody=!0;function body_22(chk,ctx){return chk.w(" +
        + + + \ No newline at end of file diff --git a/templates/core/stock.solution.container.template.js b/templates/core/stock.solution.container.template.js new file mode 100644 index 000000000..730d62bdf --- /dev/null +++ b/templates/core/stock.solution.container.template.js @@ -0,0 +1,23 @@ +
        +
        + {?fillPanel} + + + + + + + + + + +
        + {@eq key=code value=""} +  - + {:else} + {code} + {/eq} +
        {macromoleculeAcronym}
        {buffer}
        + {/fillPanel} +
        +
        \ No newline at end of file diff --git a/templates/core/stock.solution.tooltip.template.js b/templates/core/stock.solution.tooltip.template.js new file mode 100644 index 000000000..c8b3123e2 --- /dev/null +++ b/templates/core/stock.solution.tooltip.template.js @@ -0,0 +1,5 @@ +
        + Code: {code}
        + Macromolecule: {macromoleculeAcronym}
        + Buffer: {buffer} +
        \ No newline at end of file diff --git a/templates/core/stock.solutions.grid.template.js b/templates/core/stock.solutions.grid.template.js new file mode 100644 index 000000000..a7808f3b6 --- /dev/null +++ b/templates/core/stock.solutions.grid.template.js @@ -0,0 +1,37 @@ +
        +
        +
        + Acronym +
        +
        + Buffer +
        +
        + Concentration (mg/ml) +
        +
        + Volume (μl) +
        +
        +
        + +
        + {#stockSolutions} +
        +
        +
        + {.acronym} +
        +
        + {.buffer} +
        +
        + {.concentration} +
        +
        + {.volume} +
        +
        +
        + {/stockSolutions} +
        \ No newline at end of file diff --git a/templates/core/test.template.js b/templates/core/test.template.js deleted file mode 100644 index 607229b5b..000000000 --- a/templates/core/test.template.js +++ /dev/null @@ -1,8 +0,0 @@ - - - - - - - -
        sampleName: {.BLSample_name}
        Protein Acronym: {.Protein_acronym}
        Code: {.Container_code}
        sample Location: {.BLSample_location}
        Crystal ID: {.BLSample_crystalId}
        \ No newline at end of file diff --git a/templates/core/test.template.main.js b/templates/core/test.template.main.js deleted file mode 100644 index 279afe06d..000000000 --- a/templates/core/test.template.main.js +++ /dev/null @@ -1,5 +0,0 @@ - - - - -
        Name: {.name}
        Comments: {.comments}
        \ No newline at end of file diff --git a/templates/core/test.template.number.js b/templates/core/test.template.number.js deleted file mode 100644 index 80b82dbd3..000000000 --- a/templates/core/test.template.number.js +++ /dev/null @@ -1,4 +0,0 @@ - - - -
        Number: {number}
        \ No newline at end of file diff --git a/templates/core/tooltip.template.js b/templates/core/tooltip.template.js new file mode 100644 index 000000000..d31ac5027 --- /dev/null +++ b/templates/core/tooltip.template.js @@ -0,0 +1,5 @@ +
        + {#.} + {.key}: {.value}
        + {/.} +
        \ No newline at end of file diff --git a/templates/mx/autoprocintegration/collapsed.autoprocintegrationgrid.template.js b/templates/mx/autoprocintegration/collapsed.autoprocintegrationgrid.template.js index 71cac297d..129a90df8 100644 --- a/templates/mx/autoprocintegration/collapsed.autoprocintegrationgrid.template.js +++ b/templates/mx/autoprocintegration/collapsed.autoprocintegrationgrid.template.js @@ -34,6 +34,8 @@ Rmerge Rpim cc(1/2) + ccAno + sigAno Download @@ -78,18 +80,27 @@ {@decimal key="v_datacollection_summary_phasing_cell_beta" decimals=1}{/decimal} {@decimal key="v_datacollection_summary_phasing_cell_gamma" decimals=1}{/decimal} - {.innerShell.resolutionLimitLow}-{.innerShell.resolutionLimitHigh} - {.overall.resolutionLimitLow}-{.overall.resolutionLimitHigh} + {.innerShell.resolutionLimitLow}-{.innerShell.resolutionLimitHigh}
        + {.overall.resolutionLimitLow}-{.overall.resolutionLimitHigh}
        {.outerShell.resolutionLimitLow}-{.outerShell.resolutionLimitHigh} - {.innerShell.multiplicity} - {.overall.multiplicity} + {.innerShell.multiplicity}
        + {.overall.multiplicity}
        {.outerShell.multiplicity} - {.innerShell.completeness} {.overall.completeness} {.outerShell.completeness} - {.innerShell.meanIOverSigI} {.overall.meanIOverSigI} {.outerShell.meanIOverSigI} - {.innerShell.rMeasAllIPlusIMinus} {.overall.rMeasAllIPlusIMinus} {.outerShell.rMeasAllIPlusIMinus} + + {.innerShell.completeness}
        + {.overall.completeness}
        + {.outerShell.completeness} + + {.innerShell.meanIOverSigI}
        + {.overall.meanIOverSigI}
        + {.outerShell.meanIOverSigI} + + {.innerShell.rMeasAllIPlusIMinus}
        + {.overall.rMeasAllIPlusIMinus}
        + {.outerShell.rMeasAllIPlusIMinus} {@lt key=innerShell.rMerge value=10} {.innerShell.rMerge} @@ -97,12 +108,42 @@ {.innerShell.rMerge} {/lt} {.overall.rMerge} {.outerShell.rMerge} - {.innerShell.rPimWithinIPlusIMinus} {.overall.rPimWithinIPlusIMinus} {.outerShell.rPimWithinIPlusIMinus} - {.innerShell.ccHalf} {.overall.ccHalf} {.outerShell.ccHalf} + + {.innerShell.rPimWithinIPlusIMinus}
        + {.overall.rPimWithinIPlusIMinus}
        + {.outerShell.rPimWithinIPlusIMinus} + + + {?innerShell.ccHalf} + {@math key=100 method="multiply" operand=innerShell.ccHalf/}%
        + {/innerShell.ccHalf} + + {?overall.ccHalf} + {@math key=100 method="multiply" operand=overall.ccHalf/}%
        + {/overall.ccHalf} + + {?outerShell.ccHalf} + {@math key=100 method="multiply" operand=outerShell.ccHalf/}%
        + {/outerShell.ccHalf} + + + + + {.innerShell.ccAno}
        + {.overall.ccAno}
        + {.outerShell.ccAno}
        + + + {.innerShell.sigAno}
        + {.overall.sigAno}
        + {.outerShell.sigAno} + + + {/.} - + diff --git a/templates/mx/datacollectionsummary/plates.info.mxdatacollectiongrid.template.js b/templates/mx/datacollectionsummary/containers.info.mxdatacollectiongrid.template.js similarity index 100% rename from templates/mx/datacollectionsummary/plates.info.mxdatacollectiongrid.template.js rename to templates/mx/datacollectionsummary/containers.info.mxdatacollectiongrid.template.js diff --git a/templates/mx/datacollectionsummary/plates.mxdatacollectiongrid.template.js b/templates/mx/datacollectionsummary/containers.mxdatacollectiongrid.template.js similarity index 100% rename from templates/mx/datacollectionsummary/plates.mxdatacollectiongrid.template.js rename to templates/mx/datacollectionsummary/containers.mxdatacollectiongrid.template.js diff --git a/templates/mx/datacollectionsummary/plates.tooltip.mxdatacollectiongrid.template.js b/templates/mx/datacollectionsummary/containers.tooltip.mxdatacollectiongrid.template.js similarity index 100% rename from templates/mx/datacollectionsummary/plates.tooltip.mxdatacollectiongrid.template.js rename to templates/mx/datacollectionsummary/containers.tooltip.mxdatacollectiongrid.template.js diff --git a/templates/mx/datacollectionsummary/datacollections.mxdatacollectiongrid.template.js b/templates/mx/datacollectionsummary/datacollections.mxdatacollectiongrid.template.js index 80103f863..0dc15611c 100644 --- a/templates/mx/datacollectionsummary/datacollections.mxdatacollectiongrid.template.js +++ b/templates/mx/datacollectionsummary/datacollections.mxdatacollectiongrid.template.js @@ -7,9 +7,9 @@ Run Prefix #Images - ExposureTime + Exposure
        Time Res. (corner) - Wavelenth + Wavelength Transmission Directory Time @@ -30,7 +30,7 @@ {.exposureTime} s {@decimal key="resolution" decimals=1}{/decimal} Å ({@decimal key="resolutionAtCorner" decimals=1}{/decimal} Å) {@decimal key="wavelength" decimals=1}{/decimal} Å - {.transmission}% + {@decimal key="transmission" decimals=2 intIfPossible="true" /}% {.imageDirectory} {.startTime} {.runStatus} diff --git a/templates/mx/datacollectionsummary/first.general.mxdatacollectiongrid.template.js b/templates/mx/datacollectionsummary/first.general.mxdatacollectiongrid.template.js index 14df3908c..be9f3cd0e 100644 --- a/templates/mx/datacollectionsummary/first.general.mxdatacollectiongrid.template.js +++ b/templates/mx/datacollectionsummary/first.general.mxdatacollectiongrid.template.js @@ -29,7 +29,7 @@ Transmission - {.transmission} + {@decimal key="transmission" decimals=2 /}% Flux start diff --git a/templates/mx/datacollectionsummary/mxdatacollectiongrid.template.js b/templates/mx/datacollectionsummary/mxdatacollectiongrid.template.js index b543cc533..8296bffb1 100644 --- a/templates/mx/datacollectionsummary/mxdatacollectiongrid.template.js +++ b/templates/mx/datacollectionsummary/mxdatacollectiongrid.template.js @@ -10,7 +10,7 @@ {.DataCollectionGroup_startTime} -

        {.DataCollection_imageDirectory}

        +

        {.DataCollection_imageDirectory}

        @@ -58,7 +58,7 @@
        {/eq} - Mosaicity {.ScreeningOutput_mosaicity} + Mosaicity {@decimal key="ScreeningOutput_mosaicity" decimals=2 /} {@ne key=ScreeningOutput_strategySuccess value=null} @@ -70,11 +70,16 @@ Space Group {.ScreeningOutputLattice_spaceGroup} Rank. Res. {.ScreeningOutput_rankingResolution} Å - Total Exp. Time {.ScreeningOutput_totalExposureTime} s + Exp. Time {.ScreeningStrategySubWedge_exposureTime} s - Images {.ScreeningOutput_totalNumberOfImages} - Total rotation {.ScreeningOutput_totalRotationRange} ° + Images {.ScreeningStrategySubWedge_numberOfImages} + Total rotation {.ScreeningStrategySubWedge_oscillationRange} ° + + + Transmission {@decimal key="ScreeningStrategySubWedge_transmission" decimals=2 /}% + + {:else} @@ -84,7 +89,7 @@ {/ne} - + {@eq key=ScreeningOutput_strategySuccess type="boolean" value="true"} {>"unitcell.screening.mxdatacollectiongrid.template" /} {/eq} @@ -114,13 +119,14 @@
        - {.DataCollectionGroup_comments} - {?SpaceGroupModelResolvedByPhasing} -
        - Automatic SAD appears to have worked with the space group {.SpaceGroupModelResolvedByPhasing} -
        - {/SpaceGroupModelResolvedByPhasing} - + {?DataCollectionGroup_comments} + {@dataCollectionComment key="DataCollectionGroup_comments" /} + {/DataCollectionGroup_comments} + {?SpaceGroupModelResolvedByPhasing} +
        + Automatic SAD appears to have worked with the space group {.SpaceGroupModelResolvedByPhasing} +
        + {/SpaceGroupModelResolvedByPhasing}
        @@ -168,7 +174,9 @@
        -
        +
        +
        +
        diff --git a/templates/mx/datacollectionsummary/unitcell.autoproc.mxdatacollectiongrid.template.js b/templates/mx/datacollectionsummary/unitcell.autoproc.mxdatacollectiongrid.template.js index 4cd305cf2..610911ea7 100644 --- a/templates/mx/datacollectionsummary/unitcell.autoproc.mxdatacollectiongrid.template.js +++ b/templates/mx/datacollectionsummary/unitcell.autoproc.mxdatacollectiongrid.template.js @@ -1,32 +1,32 @@ - - - + + + - - - + + + - - - + + + - - - + + + diff --git a/templates/mx/datacollectionsummary/unitcell.screening.mxdatacollectiongrid.template.js b/templates/mx/datacollectionsummary/unitcell.screening.mxdatacollectiongrid.template.js index 037faf8a6..e7f2fdf43 100644 --- a/templates/mx/datacollectionsummary/unitcell.screening.mxdatacollectiongrid.template.js +++ b/templates/mx/datacollectionsummary/unitcell.screening.mxdatacollectiongrid.template.js @@ -1,7 +1,7 @@
        cell Acell Bcell Ccell Acell Bcell C
        {.overall.cell_a}{.overall.cell_b}{.overall.cell_c}{@decimal key="overall.cell_a" decimals=2 intIfPossible="true" /}{@decimal key="overall.cell_b" decimals=2 intIfPossible="true" /}{@decimal key="overall.cell_c" decimals=2 intIfPossible="true" /}
        AlphaBetaGammaAlphaBetaGamma
        {.overall.cell_alpha}{.overall.cell_beta}{.overall.cell_gamma}{@decimal key="overall.cell_alpha" decimals=2 intIfPossible="true" /}{@decimal key="overall.cell_beta" decimals=2 intIfPossible="true" /}{@decimal key="overall.cell_gamma" decimals=2 intIfPossible="true" /}
        - + @@ -10,9 +10,9 @@ - - - + + + @@ -24,9 +24,9 @@ - - - + + + diff --git a/templates/mx/prepareexperiment/beamlines.combobox.template.js b/templates/mx/prepareexperiment/beamlines.combobox.template.js new file mode 100644 index 000000000..d96845cac --- /dev/null +++ b/templates/mx/prepareexperiment/beamlines.combobox.template.js @@ -0,0 +1,5 @@ + \ No newline at end of file diff --git a/templates/mx/prepareexperiment/confirm.table.prepare.template.js b/templates/mx/prepareexperiment/confirm.table.prepare.template.js deleted file mode 100644 index 72599f739..000000000 --- a/templates/mx/prepareexperiment/confirm.table.prepare.template.js +++ /dev/null @@ -1,49 +0,0 @@ -
        - {#pucks} -
        -
        -
        cell ATEEESTcell A cell B cell C
        {.ScreeningOutputLattice_unitCell_a}{.ScreeningOutputLattice_unitCell_b}{.ScreeningOutputLattice_unitCell_c}{@decimal key="ScreeningOutputLattice_unitCell_a" decimals=2 /}{@decimal key="ScreeningOutputLattice_unitCell_b" decimals=2 /}{@decimal key="ScreeningOutputLattice_unitCell_c" decimals=2 /}
        {.ScreeningOutputLattice_unitCell_alpha}{.ScreeningOutputLattice_unitCell_beta}{.ScreeningOutputLattice_unitCell_gamma}{@decimal key="ScreeningOutputLattice_unitCell_alpha" decimals=2 /}{@decimal key="ScreeningOutputLattice_unitCell_beta" decimals=2 /}{@decimal key="ScreeningOutputLattice_unitCell_gamma" decimals=2 /}
        - - - - - - - - - - - - - - -
        Container Code:{.containerCode}
        Container Id:{.containerId}
        Sample Changer Location:{.sampleChangerLocation}
        - - -
        - - - - - - - - {#.cells} - {@ne key="{.state}" value="EMPTY"} - - - - - - - - - {/ne} - {/.cells} - -
        Location:{.location}
        Sample name:{.sample_name}
        -
        - -
        - {/pucks} - \ No newline at end of file diff --git a/templates/mx/prepareexperiment/toolbar.prepare.template.js b/templates/mx/prepareexperiment/toolbar.prepare.template.js index 7d3c11eec..06f8f23af 100644 --- a/templates/mx/prepareexperiment/toolbar.prepare.template.js +++ b/templates/mx/prepareexperiment/toolbar.prepare.template.js @@ -9,10 +9,6 @@
        2 -

        Select Sample Changer

        -
        -
        - 3

        Load Sample Changer

        diff --git a/templates/saxs/abinitio/abinitiogrid.template.js b/templates/saxs/abinitio/abinitiogrid.template.js new file mode 100644 index 000000000..e30b2f9cb --- /dev/null +++ b/templates/saxs/abinitio/abinitiogrid.template.js @@ -0,0 +1,33 @@ +
        +
        +
        + + + + + + + + + + + + + + + + {#.} + + + + + + + + + + {/.} +
        typePDBFirFileLogFilechiSqrtrfactorrg
        {.type}{.pdbFile}{.firFile}{.logFile}{@decimal key="chiSqrt" decimals=3 /} {@decimal key="rfactor" decimals=3 /} {@decimal key="rg" decimals=3 /}
        +
        +
        +
        \ No newline at end of file diff --git a/templates/saxs/frames.grid.template.js b/templates/saxs/frames.grid.template.js new file mode 100644 index 000000000..bba0d8e42 --- /dev/null +++ b/templates/saxs/frames.grid.template.js @@ -0,0 +1,9 @@ + + {#.} + + + + {/.} +
        + {@fileName /}{?.discarded} (discarded){/.discarded} +
        \ No newline at end of file diff --git a/templates/saxs/hplcmainview/header.hplcmainview.template.js b/templates/saxs/hplcmainview/header.hplcmainview.template.js new file mode 100644 index 000000000..689e842f9 --- /dev/null +++ b/templates/saxs/hplcmainview/header.hplcmainview.template.js @@ -0,0 +1,29 @@ + + + +
        +
        + +

        {.name}

        +
        + + +
        +
        +
        Date: {.creationDate}
        + + +
        + + + + + +
        + + +
        + + \ No newline at end of file diff --git a/templates/saxs/hplcmainview/summary.hplcmainview.template.js b/templates/saxs/hplcmainview/summary.hplcmainview.template.js new file mode 100644 index 000000000..702d5360d --- /dev/null +++ b/templates/saxs/hplcmainview/summary.hplcmainview.template.js @@ -0,0 +1,36 @@ +
        +
        +
        + + + + + + + + + + + + + + + + {#.} + + + + + + + + + + + {/.} +
        FrameI0RgMassVcQrQualityDownload
        {.frame} {@decimal key="I0" decimals=1}{/decimal}{@decimal key="Rg" decimals=1}{/decimal}{@decimal key="Mass" decimals=1}{/decimal}{@decimal key="Vc" decimals=1}{/decimal}{@decimal key="Qr" decimals=1}{/decimal}{@decimal key="quality" decimals=1}{/decimal} + +
        +
        +
        +
        \ No newline at end of file diff --git a/templates/saxs/overview.queue.grid.template.js b/templates/saxs/overview.queue.grid.template.js index 1810583e1..7562a54f5 100644 --- a/templates/saxs/overview.queue.grid.template.js +++ b/templates/saxs/overview.queue.grid.template.js @@ -1,11 +1,12 @@ -
        +
        - + + @@ -27,163 +28,193 @@ - {#rows} - {#.specimens} - - {?hasMacromolecule} - - - - - - - - - - - {:else} - - - - - - - - - - - {/hasMacromolecule} - {@eq key="{.dataCollectionOrder}" value="1"} - - - - - - {/eq} - - {/.specimens} - {/rows} - + {#.} + + + + + + + {?.Macromolecule_macromoleculeId} + + + + + + + + + {:else} + + + + + + + + + {/.Macromolecule_macromoleculeId} + {?.rowSpan} + + + + + + {/.rowSpan} + + {/.}
        RunFrames (Average/Total)SampleFrames
        (Average/Total)
        Guinier Gnom Porod
        # {.code} {dataCollectionId} -
        -
        - {.acronym} {.concentration} mg/ml {.expTemp} C -
        -
        - {.average.text} -
        -
        -
        - NA{:else}>{.rg} nm{/eq} - - NA{:else}>{.points}{/eq} - - NA{:else}>{.I0} ± {.I0Stdev}{/eq} - - NA{:else}>{.rgGnom} nm{/eq} - - NA{:else}>{.total}{/eq} - - NA{:else}>{.dmax} nm{/eq} - - NA{:else}>{.volumePorod} nm3{/eq} - - NA{:else}>{.mmvolest} kD{/eq} - # {.code} -
        -
        -
        -
        - {.average.text} -
        -
        -
        - - Image not found - - - - Image not found - - - - Image not found - - - - Image not found - - - - - - - - - - - - - - - - - - - - -
        - {?dataReduction} - -
        - {?abinitio} - -
        - {?fit} - -
        - {?superposition} - -
        - {?rigidBody} - -
        -
        + {?.Macromolecule_macromoleculeId} + #{.Measurement_code} + {:else} + #{.Measurement_code} + {/.Macromolecule_macromoleculeId} + + {?.Macromolecule_macromoleculeId} + + + + {/.Macromolecule_macromoleculeId} + + {?.Macromolecule_macromoleculeId} + {.Macromolecule_acronym} +
        {@decimal key="Specimen_concentration" decimals=3 /} mg/ml +
        {.Run_exposureTemperature} C + {:else} + {.Buffer_acronym} + {/.Macromolecule_macromoleculeId} +
        +
        + {?Merge_framesMerge}{.Merge_framesMerge}{:else}NA{/Merge_framesMerge} / {?Merge_framesCount}{.Merge_framesCount}{:else}NA{/Merge_framesCount} +
        +
        + + + + + NA{:else}>{@decimal key="Subtraction_rg" decimals=3 /} nm{/Subtraction_rg} + + NA{:else}>{.Subtraction_firstPointUsed} - {.Subtraction_lastPointUsed} ({@math key=Subtraction_lastPointUsed method="subtract" operand=.Subtraction_firstPointUsed/}){/Subtraction_rg} + + NA{:else}>{@decimal key="Subtraction_I0" decimals=1 /} ± {@exponential key="Subtraction_I0Stdev" decimals=3 /}{/Subtraction_I0} + + NA{:else}>{@decimal key="Subtraction_rgGnom" decimals=3 /} nm{/Subtraction_rgGnom} + + NA{:else}>{@decimal key="Subtraction_total" decimals=3 /}{/Subtraction_total} + + NA{:else}>{@decimal key="Subtraction_dmax" decimals=3 /} nm{/Subtraction_dmax} + + NA{:else}>{@decimal key="Subtraction_volumePorod" decimals=3 /} nm3{/Subtraction_volumePorod} + + NA{:else}>{@mmVolTest /} kD{/Subtraction_volumePorod} + + + + + + + + + + +
        Image not found
        +
        +
        + +
        Image not found
        +
        +
        + +
        Image not found
        +
        +
        + +
        Image not found
        +
        +
        + + + + + + + + + + + + + + + + + + +
        + {?dataReduction} + + +
        + {?SubtractionToAbInitioModel_abinitioId} + + +
        + {?fit} + + +
        + {?superposition} + + +
        + {?rigidBody} + + +
        +
        diff --git a/templates/saxs/overview.queue.grid.test.template.js b/templates/saxs/overview.queue.grid.test.template.js deleted file mode 100644 index 84824763d..000000000 --- a/templates/saxs/overview.queue.grid.test.template.js +++ /dev/null @@ -1,217 +0,0 @@ -
        -
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        - - - - - - - - - - - - - - - - - - - - - - - - - - - - {#.} - - - - - - - {?.Macromolecule_macromoleculeId} - - - - - - - - - {:else} - - - - - - - - - {/.Macromolecule_macromoleculeId} - {?.rowSpan} - - - - - - {/.rowSpan} - - {/.} -
        RunSampleFrames
        (Average/Total)
        GuinierGnomPorodScatteringKratky.DensityGuinierAdvanced
        RgPointsI0RgTotalDmaxVolumeMM Vol. est.
        - {?.Macromolecule_macromoleculeId} - #{.Measurement_code} - {:else} - #{.Measurement_code} - {/.Macromolecule_macromoleculeId} - - {?.Macromolecule_macromoleculeId} - - - - {/.Macromolecule_macromoleculeId} - - {?.Macromolecule_macromoleculeId} - {.Macromolecule_acronym} -
        {@decimal key="Specimen_concentration" decimals=3 /} mg/ml -
        {.Run_exposureTemperature} C - {:else} - {.Buffer_acronym} - {/.Macromolecule_macromoleculeId} -
        -
        - {?Merge_framesMerge}{.Merge_framesMerge}{:else}NA{/Merge_framesMerge} / {?Merge_framesCount}{.Merge_framesCount}{:else}NA{/Merge_framesCount} -
        -
        - - - - - NA{:else}>{@decimal key="Subtraction_rg" decimals=3 /} nm{/Subtraction_rg} - - NA{:else}>{.Subtraction_firstPointUsed} - {.Subtraction_lastPointUsed} ({@math key=Subtraction_lastPointUsed method="subtract" operand=.Subtraction_firstPointUsed/}){/Subtraction_rg} - - NA{:else}>{@decimal key="Subtraction_I0" decimals=1 /} ± {@exponential key="Subtraction_I0Stdev" decimals=3 /}{/Subtraction_I0} - - NA{:else}>{@decimal key="Subtraction_rgGnom" decimals=3 /} nm{/Subtraction_rgGnom} - - NA{:else}>{@decimal key="Subtraction_total" decimals=3 /}{/Subtraction_total} - - NA{:else}>{@decimal key="Subtraction_dmax" decimals=3 /} nm{/Subtraction_dmax} - - NA{:else}>{@decimal key="Subtraction_volumePorod" decimals=3 /} nm3{/Subtraction_volumePorod} - - NA{:else}>{@mmVolTest /} kD{/Subtraction_volumePorod} - - - - - - - - - - -
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        \ No newline at end of file diff --git a/templates/saxs/queue.grid.test.template.js b/templates/saxs/queue.grid.test.template.js deleted file mode 100644 index ef14665c8..000000000 --- a/templates/saxs/queue.grid.test.template.js +++ /dev/null @@ -1,152 +0,0 @@ -
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        #{.code}{@ne key=acronym value=""}{.acronym} {concentration} mg/ml{/ne}{.average.text}
        Exp. Temp.{.expTemp}
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        -
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        Volume - NA{:else}>{.volumePorod} nm3{/eq} -
        MM Vol. est. - NA{:else}>{.mmvolest} kD{/eq} -
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        \ No newline at end of file diff --git a/templates/tracking/trackingheader.template.js b/templates/tracking/trackingheader.template.js new file mode 100644 index 000000000..aa8be0ee3 --- /dev/null +++ b/templates/tracking/trackingheader.template.js @@ -0,0 +1,22 @@ + + + +
        + +
        + + + ESY + ESRF Sample Tracking System + BETA + +
        +
        + + +
        + \ No newline at end of file diff --git a/tracking/config.js b/tracking/config.js new file mode 100644 index 000000000..bafdb78a5 --- /dev/null +++ b/tracking/config.js @@ -0,0 +1,114 @@ +var ExtISPyB ={ + version : 'DEV', + release_date : '---', + + /** + * P1211 is a synonym for P21 + P121 is a synonym for P2 + C121 is a synonym for C2 + + */ + spaceGroups : ["P1", "P121", "P1211", "C121", "P222", "P2221", "P21212", "P212121", "C2221", "C222", "F222", "I222", "I212121", "P4", "P41", "P42", "P43", "I4", "I41", "P422", "P4212", "P4122", "P41212", "P4222", "P42212", "P4322", "P43212", "I422", "I4122", "P3", "P31", "P32", "H3","R3", "P312", "P321", "P3112", "P3121", "P3212", "P3221", "H32", "R32", "P6", "P61", "P65", "P62", "P64", "P63", "P622", "P6122", "P6522", "P6222", "P6422", "P6322", "P23", "F23", "I23", "P213", "I213", "P432", "P4232", "F432", "F4132", "I432", "P4332", "P4132", "I4132"], + detectors : { + + "Pilatus3_2M" : { + pixelSize: { + x : 1475, + y : 1679 + }, + sensitiveArea : { + x : 253.7, + y : 288.8 + }, + pixelSizeHorizontal : 0.172, + img : "https://www.dectris.com/tl_files/root/products/PILATUS%20S%20Serie/Systems/PILATUS3_S_2M.png" + + }, + "Pilatus_6M_F" : { + pixelSize: { + x : 2463, + y : 2527 + }, + sensitiveArea : { + x : 423.6, + y : 434.6 + }, + pixelSizeHorizontal : 0.172, + img : "https://www.dectris.com/tl_files/root/products/PILATUS%20S%20Serie/Systems/PILATUS3_S_6M.png" + + }, + "Pilatus3_6M" : { + pixelSize: { + x : 2463, + y : 2527 + }, + sensitiveArea : { + x : 423.6, + y : 434.6 + }, + pixelSizeHorizontal : 0.172, + img : "https://www.dectris.com/tl_files/root/products/PILATUS%20S%20Serie/Systems/PILATUS3_S_6M.png" + + } + + + + }, + sites:[ + + + { + name:'ESRF TEST', + url:'http://ispyvalid.esrf.fr:8080/ispyb/ispyb-ws/rest', + icon : '../images/site/dev.esrf.png', + exiUrl:'http://ispyvalid.esrf.fr:8080/ispyb/ispyb-ws/rest', + beamlines:{ + SAXS:[ + + + ], + MX:[ + { + name : "ID23-1", + sampleChangerType : 'FlexHCD' + }, + { + name : "ID23-2", + sampleChangerType : 'SC3' + }, + { + name : "ID29", + sampleChangerType : 'FlexHCD' + }, + { + name : "ID30A-1", + sampleChangerType : 'RoboDiff' + }, + // { + // name : "ID30A-2", + // sampleChangerType : 'SC3' + // }, + { + name : "ID30A-3", + sampleChangerType : 'SC3' + }, + { + name : "ID30B", + sampleChangerType : 'FlexHCD' + }, + { + name : "BM14U", + sampleChangerType : 'FlexHCD' + }, + { + name : "BM30A", + sampleChangerType : 'FlexHCD' + } + ] + } + } + ] +}; + + + diff --git a/tracking/data/1505746.cif b/tracking/data/1505746.cif new file mode 100644 index 000000000..75f641d00 --- /dev/null +++ b/tracking/data/1505746.cif @@ -0,0 +1,1535 @@ +#------------------------------------------------------------------------------ +#$Date: 2012-03-25 23:33:14 +0000 (Sun, 25 Mar 2012) $ +#$Revision: 47695 $ +#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/57/1505746.cif $ +#------------------------------------------------------------------------------ +# +# This file is available in the Crystallography Open Database (COD), +# http://www.crystallography.net/ +# +# All data on this site have been placed in the public domain by the +# contributors. +# +data_1505746 +loop_ +_publ_author_name +'Wong, Alan' +'Ida, Ramsey' +'Mo, Xin' +'Gan, Zhehong' +'Poh, Jennifer' +'Wu, Gang' +_publ_section_title +; + Solid-state 25Mg NMR spectroscopic and computational studies of organic + compounds. square-pyramidal magnesium(II) ions in aqua(magnesium) + phthalocyanine and chlorophyll a. +; +_journal_issue 33 +_journal_name_full 'The journal of physical chemistry. A' +_journal_page_first 10084 +_journal_page_last 10090 +_journal_volume 110 +_journal_year 2006 +_chemical_formula_sum 'C39.5 H25.5 Mg N9.5 O' +_chemical_formula_weight 673.50 +_chemical_name_systematic +; + ? +; +_space_group_IT_number 2 +_symmetry_cell_setting triclinic +_symmetry_space_group_name_Hall '-P 1' +_symmetry_space_group_name_H-M 'P -1' +_atom_sites_solution_hydrogens geom +_atom_sites_solution_primary direct +_atom_sites_solution_secondary difmap +_audit_creation_method SHELXL-97 +_cell_angle_alpha 81.912(6) +_cell_angle_beta 80.385(6) +_cell_angle_gamma 74.070(7) +_cell_formula_units_Z 2 +_cell_length_a 8.823(3) +_cell_length_b 13.007(5) +_cell_length_c 14.424(6) +_cell_measurement_temperature 180(2) +_cell_volume 1561.5(10) +_computing_cell_refinement 'Bruker SMART' +_computing_data_collection 'Bruker SMART' +_computing_data_reduction 'Bruker SHELXTL' +_computing_molecular_graphics 'Bruker SHELXTL' +_computing_publication_material 'Bruker SHELXTL' +_computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' +_computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' +_diffrn_ambient_temperature 180(2) +_diffrn_measured_fraction_theta_full 0.901 +_diffrn_measured_fraction_theta_max 0.901 +_diffrn_measurement_device_type 'CCD area detector' +_diffrn_measurement_method 'phi and omega scans' +_diffrn_radiation_monochromator graphite +_diffrn_radiation_source 'fine-focus sealed tube' +_diffrn_radiation_type MoK\a +_diffrn_radiation_wavelength 0.71073 +_diffrn_reflns_av_R_equivalents 0.0819 +_diffrn_reflns_av_sigmaI/netI 0.2760 +_diffrn_reflns_limit_h_max 9 +_diffrn_reflns_limit_h_min -11 +_diffrn_reflns_limit_k_max 17 +_diffrn_reflns_limit_k_min -16 +_diffrn_reflns_limit_l_max 19 +_diffrn_reflns_limit_l_min -18 +_diffrn_reflns_number 10459 +_diffrn_reflns_theta_full 28.30 +_diffrn_reflns_theta_max 28.30 +_diffrn_reflns_theta_min 2.28 +_exptl_absorpt_coefficient_mu 0.109 +_exptl_absorpt_correction_T_max 1.0000 +_exptl_absorpt_correction_T_min 0.7479 +_exptl_absorpt_correction_type 'Empirical (Bruker SADABS)' +_exptl_crystal_colour 'dark green' +_exptl_crystal_density_diffrn 1.432 +_exptl_crystal_density_method 'not measured' +_exptl_crystal_description prism +_exptl_crystal_F_000 698 +_exptl_crystal_size_max 0.5 +_exptl_crystal_size_mid 0.05 +_exptl_crystal_size_min 0.05 +_refine_diff_density_max 0.296 +_refine_diff_density_min -0.267 +_refine_diff_density_rms 0.050 +_refine_ls_extinction_method none +_refine_ls_goodness_of_fit_ref 0.778 +_refine_ls_hydrogen_treatment mixed +_refine_ls_matrix_type full +_refine_ls_number_parameters 616 +_refine_ls_number_reflns 6995 +_refine_ls_number_restraints 0 +_refine_ls_restrained_S_all 0.778 +_refine_ls_R_factor_all 0.2174 +_refine_ls_R_factor_gt 0.0655 +_refine_ls_shift/su_max 0.000 +_refine_ls_shift/su_mean 0.000 +_refine_ls_structure_factor_coef Fsqd +_refine_ls_weighting_details +'calc w=1/[\s^2^(Fo^2^)+(0.0318P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' +_refine_ls_weighting_scheme calc +_refine_ls_wR_factor_gt 0.0931 +_refine_ls_wR_factor_ref 0.1156 +_reflns_number_gt 2306 +_reflns_number_total 6995 +_reflns_threshold_expression >2sigma(I) +_[local]_cod_data_source_file jp061350wsi20060303_020253.cif +_[local]_cod_data_source_block aw48 +_[local]_cod_cif_authors_sg_H-M P-1 +_[local]_cod_chemical_formula_sum_orig 'C39.50 H25.50 Mg N9.50 O' +_cod_depositor_comments +; +The following automatic conversions were performed: + +'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic' +according to /home/saulius/struct/CIF-dictionaries/cif_core.dic +dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. + +Automatic conversion script +Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana +; +_cod_database_code 1505746 +loop_ +_symmetry_equiv_pos_as_xyz +'x, y, z' +'-x, -y, -z' +loop_ +_atom_site_label +_atom_site_type_symbol +_atom_site_fract_x +_atom_site_fract_y +_atom_site_fract_z +_atom_site_U_iso_or_equiv +_atom_site_adp_type +_atom_site_occupancy +_atom_site_symmetry_multiplicity +_atom_site_calc_flag +_atom_site_refinement_flags +O1 O 0.1142(3) -0.05671(19) 0.19664(16) 0.0346(7) Uani 1 1 d . +H1B H 0.087(4) -0.053(3) 0.257(2) 0.050 Uiso 1 1 d . +H1A H 0.014(4) -0.053(2) 0.163(2) 0.050 Uiso 1 1 d . +Mg1 Mg 0.29342(13) -0.00742(10) 0.11545(8) 0.0311(3) Uani 1 1 d . +N1 N 0.5111(3) -0.2489(2) 0.0462(2) 0.0328(8) Uani 1 1 d . +N2 N 0.3227(3) -0.0834(2) -0.00243(18) 0.0293(8) Uani 1 1 d . +N3 N 0.1293(3) 0.0443(2) -0.09114(19) 0.0276(7) Uani 1 1 d . +N4 N 0.1767(3) 0.1243(2) 0.03970(19) 0.0304(8) Uani 1 1 d . +N5 N 0.1580(4) 0.2583(2) 0.1466(2) 0.0370(8) Uani 1 1 d . +N6 N 0.3424(3) 0.0904(3) 0.19718(19) 0.0321(8) Uani 1 1 d . +N7 N 0.5340(3) -0.0378(3) 0.2874(2) 0.0414(9) Uani 1 1 d . +N8 N 0.4898(3) -0.1170(2) 0.15467(19) 0.0348(8) Uani 1 1 d . +N9 N 0.0348(8) -0.0358(5) 0.3808(4) 0.0403(17) Uani 0.50 1 d P +N10 N 0.8510(8) 0.2036(6) 0.6461(5) 0.0466(18) Uani 0.50 1 d P +N11 N 0.716(3) 0.4004(15) 0.4765(14) 0.093(7) Uani 0.50 1 d P +C1 C 0.4082(4) -0.1872(3) -0.0105(2) 0.0299(9) Uani 1 1 d . +C2 C 0.3710(4) -0.2259(3) -0.0910(2) 0.0305(10) Uani 1 1 d . +C3 C 0.4245(4) -0.3255(3) -0.1269(3) 0.0341(10) Uani 1 1 d . +H3 H 0.508(3) -0.384(2) -0.0933(19) 0.025(10) Uiso 1 1 d . +C4 C 0.3609(5) -0.3383(4) -0.2045(3) 0.0367(11) Uani 1 1 d . +H4 H 0.394(4) -0.401(3) -0.228(2) 0.058(14) Uiso 1 1 d . +C5 C 0.2479(5) -0.2539(4) -0.2444(3) 0.0383(11) Uani 1 1 d . +H5 H 0.205(3) -0.265(2) -0.295(2) 0.029(10) Uiso 1 1 d . +C6 C 0.1953(5) -0.1552(3) -0.2098(3) 0.0341(10) Uani 1 1 d . +H6 H 0.106(3) -0.095(2) -0.2346(18) 0.024(9) Uiso 1 1 d . +C7 C 0.2577(4) -0.1416(3) -0.1318(2) 0.0285(9) Uani 1 1 d . +C8 C 0.2306(4) -0.0528(3) -0.0735(2) 0.0288(9) Uani 1 1 d . +C9 C 0.1059(4) 0.1267(3) -0.0385(3) 0.0297(9) Uani 1 1 d . +C10 C -0.0017(4) 0.2332(3) -0.0583(3) 0.0320(10) Uani 1 1 d . +C11 C -0.1000(5) 0.2797(3) -0.1268(3) 0.0369(10) Uani 1 1 d . +H11 H -0.106(3) 0.238(2) -0.180(2) 0.041(10) Uiso 1 1 d . +C12 C -0.1867(5) 0.3857(3) -0.1214(3) 0.0445(11) Uani 1 1 d . +H12 H -0.263(3) 0.423(2) -0.168(2) 0.037(11) Uiso 1 1 d . +C13 C -0.1770(5) 0.4442(4) -0.0499(3) 0.0478(12) Uani 1 1 d . +H13 H -0.234(4) 0.519(3) -0.053(2) 0.052(12) Uiso 1 1 d . +C14 C -0.0782(5) 0.3982(3) 0.0171(3) 0.0406(11) Uani 1 1 d . +H14 H -0.060(3) 0.434(2) 0.067(2) 0.032(10) Uiso 1 1 d . +C15 C 0.0094(4) 0.2931(3) 0.0135(2) 0.0322(10) Uani 1 1 d . +C16 C 0.1214(4) 0.2237(3) 0.0716(3) 0.0339(10) Uani 1 1 d . +C17 C 0.2610(5) 0.1967(3) 0.2014(3) 0.0376(11) Uani 1 1 d . +C18 C 0.3008(4) 0.2336(4) 0.2837(3) 0.0396(11) Uani 1 1 d . +C19 C 0.2524(5) 0.3335(4) 0.3204(3) 0.0503(13) Uani 1 1 d . +C20 C 0.3146(6) 0.3401(5) 0.4016(3) 0.0651(16) Uani 1 1 d . +H20 H 0.275(3) 0.410(3) 0.427(2) 0.040(11) Uiso 1 1 d . +C21 C 0.4226(6) 0.2552(5) 0.4416(4) 0.0757(19) Uani 1 1 d . +H21 H 0.461(4) 0.259(3) 0.500(3) 0.085(15) Uiso 1 1 d . +C22 C 0.4717(5) 0.1579(5) 0.4048(3) 0.0647(16) Uani 1 1 d . +H22 H 0.552(4) 0.095(3) 0.431(2) 0.058(14) Uiso 1 1 d . +C23 C 0.4108(4) 0.1475(4) 0.3248(3) 0.0444(11) Uani 1 1 d . +C24 C 0.4354(4) 0.0587(3) 0.2676(3) 0.0376(11) Uani 1 1 d . +C25 C 0.5590(4) -0.1179(3) 0.2337(3) 0.0384(11) Uani 1 1 d . +C26 C 0.6671(4) -0.2233(3) 0.2524(3) 0.0343(10) Uani 1 1 d . +C27 C 0.7638(5) -0.2687(4) 0.3227(3) 0.0457(12) Uani 1 1 d . +H27 H 0.764(4) -0.222(2) 0.368(2) 0.038(11) Uiso 1 1 d . +C28 C 0.8480(5) -0.3747(4) 0.3226(3) 0.0531(13) Uani 1 1 d . +H28 H 0.916(4) -0.406(3) 0.376(2) 0.060(12) Uiso 1 1 d . +C29 C 0.8391(5) -0.4369(4) 0.2522(3) 0.0522(13) Uani 1 1 d . +H29 H 0.896(5) -0.517(3) 0.252(3) 0.103(18) Uiso 1 1 d . +C30 C 0.7443(5) -0.3916(4) 0.1810(3) 0.0427(11) Uani 1 1 d . +H30 H 0.726(3) -0.438(2) 0.131(2) 0.032(10) Uiso 1 1 d . +C31 C 0.6591(4) -0.2851(3) 0.1819(2) 0.0349(10) Uani 1 1 d . +C32 C 0.5480(4) -0.2157(3) 0.1223(3) 0.0357(10) Uani 1 1 d . +C33 C 0.1398(10) -0.0556(7) 0.4429(6) 0.046(2) Uani 0.50 1 d P +H33 H 0.252(8) -0.072(5) 0.412(5) 0.050 Uiso 0.50 1 d P +C34 C 0.1024(10) -0.0701(7) 0.5390(6) 0.045(2) Uani 0.50 1 d P +H34 H 0.205(7) -0.103(5) 0.589(4) 0.050 Uiso 0.50 1 d P +C35 C -0.0543(11) -0.0628(7) 0.5774(6) 0.044(2) Uani 0.50 1 d P +H35 H -0.085(7) -0.070(5) 0.647(4) 0.050 Uiso 0.50 1 d P +C36 C -0.1663(9) -0.0401(7) 0.5150(6) 0.047(2) Uani 0.50 1 d P +H36 H -0.277(8) -0.033(5) 0.530(5) 0.050 Uiso 0.50 1 d P +C37 C -0.1175(10) -0.0284(7) 0.4198(5) 0.046(2) Uani 0.50 1 d P +H37 H -0.195(7) -0.022(5) 0.371(4) 0.050 Uiso 0.50 1 d P +C38 C 0.9449(10) 0.2102(7) 0.5625(6) 0.052(2) Uani 0.50 1 d P +C39 C 0.9108(18) 0.2895(12) 0.4877(11) 0.070(5) Uani 0.50 1 d P +C40 C 0.772(3) 0.3689(19) 0.5041(17) 0.066(7) Uani 0.50 1 d P +C41 C 0.6632(16) 0.3671(12) 0.5943(12) 0.071(4) Uani 0.50 1 d P +C42 C 0.7106(12) 0.2793(9) 0.6623(7) 0.047(3) Uiso 0.50 1 d P +C43 C 0.5732(10) 0.4265(6) 0.5249(7) 0.033(2) Uani 0.50 1 d P +C44 C 0.5604(12) 0.3927(9) 0.6126(9) 0.045(3) Uani 0.50 1 d P +C45 C 0.6839(12) 0.3302(9) 0.6615(7) 0.043(3) Uiso 0.50 1 d P +C46 C 0.8321(12) 0.3063(8) 0.6139(8) 0.065(3) Uani 0.50 1 d P +C47 C 0.8662(19) 0.3352(14) 0.5166(13) 0.053(4) Uani 0.50 1 d P +H19 H 0.172(3) 0.396(2) 0.293(2) 0.027(11) Uiso 1 1 d . +loop_ +_atom_site_aniso_label +_atom_site_aniso_U_11 +_atom_site_aniso_U_22 +_atom_site_aniso_U_33 +_atom_site_aniso_U_23 +_atom_site_aniso_U_13 +_atom_site_aniso_U_12 +O1 0.0404(16) 0.0451(17) 0.0203(14) -0.0088(13) -0.0015(13) -0.0132(13) +Mg1 0.0353(8) 0.0397(8) 0.0209(7) -0.0097(6) -0.0018(6) -0.0119(6) +N1 0.0314(18) 0.045(2) 0.0236(19) -0.0060(16) -0.0026(16) -0.0119(16) +N2 0.0322(18) 0.036(2) 0.0186(18) -0.0077(15) -0.0017(15) -0.0059(17) +N3 0.0334(19) 0.034(2) 0.0165(17) -0.0019(15) -0.0030(15) -0.0112(16) +N4 0.038(2) 0.032(2) 0.0242(18) -0.0081(15) -0.0008(15) -0.0143(16) +N5 0.045(2) 0.043(2) 0.027(2) -0.0092(17) 0.0043(17) -0.0214(18) +N6 0.0340(19) 0.045(2) 0.0208(18) -0.0080(16) -0.0008(15) -0.0147(17) +N7 0.032(2) 0.065(3) 0.028(2) -0.0166(18) 0.0032(16) -0.0134(19) +N8 0.0306(18) 0.054(2) 0.0223(19) -0.0102(17) -0.0031(15) -0.0126(17) +N9 0.040(4) 0.055(5) 0.025(4) -0.003(3) -0.004(4) -0.011(4) +N10 0.052(5) 0.042(5) 0.042(5) 0.007(4) -0.019(4) -0.004(4) +N11 0.17(2) 0.049(10) 0.081(13) -0.021(9) -0.032(10) -0.046(12) +C1 0.027(2) 0.042(3) 0.021(2) -0.0033(19) -0.0029(19) -0.009(2) +C2 0.030(2) 0.041(3) 0.019(2) -0.008(2) 0.0039(19) -0.008(2) +C3 0.035(2) 0.038(3) 0.027(2) -0.007(2) 0.004(2) -0.009(2) +C4 0.042(3) 0.035(3) 0.029(3) -0.012(2) 0.003(2) -0.004(2) +C5 0.041(3) 0.051(3) 0.026(3) -0.012(2) -0.006(2) -0.012(2) +C6 0.037(2) 0.034(3) 0.028(2) -0.007(2) -0.007(2) -0.001(2) +C7 0.030(2) 0.038(3) 0.017(2) -0.0072(19) 0.0045(18) -0.012(2) +C8 0.029(2) 0.043(3) 0.015(2) -0.0040(19) 0.0058(18) -0.014(2) +C9 0.032(2) 0.035(3) 0.024(2) -0.0050(19) 0.0013(19) -0.012(2) +C10 0.040(2) 0.032(3) 0.025(2) -0.0075(19) 0.000(2) -0.011(2) +C11 0.047(3) 0.035(3) 0.032(3) -0.010(2) -0.004(2) -0.013(2) +C12 0.057(3) 0.034(3) 0.041(3) 0.003(2) -0.011(2) -0.010(2) +C13 0.073(3) 0.025(3) 0.043(3) -0.005(2) -0.006(3) -0.010(3) +C14 0.061(3) 0.037(3) 0.026(3) -0.001(2) -0.005(2) -0.018(2) +C15 0.040(2) 0.031(3) 0.024(2) 0.001(2) 0.000(2) -0.010(2) +C16 0.042(3) 0.036(3) 0.031(2) -0.005(2) -0.005(2) -0.022(2) +C17 0.044(3) 0.051(3) 0.026(2) -0.014(2) 0.007(2) -0.027(2) +C18 0.033(2) 0.059(3) 0.034(3) -0.021(2) 0.009(2) -0.024(2) +C19 0.047(3) 0.067(4) 0.044(3) -0.024(3) 0.004(2) -0.025(3) +C20 0.054(3) 0.106(5) 0.051(3) -0.059(3) 0.016(3) -0.036(3) +C21 0.047(3) 0.145(6) 0.048(4) -0.063(4) 0.005(3) -0.026(3) +C22 0.039(3) 0.112(5) 0.043(3) -0.045(3) 0.002(3) -0.006(3) +C23 0.029(2) 0.082(4) 0.026(2) -0.025(2) 0.003(2) -0.016(2) +C24 0.026(2) 0.060(3) 0.031(3) -0.015(2) -0.003(2) -0.013(2) +C25 0.028(2) 0.067(3) 0.025(2) -0.010(2) 0.001(2) -0.021(2) +C26 0.029(2) 0.051(3) 0.025(2) 0.000(2) -0.007(2) -0.014(2) +C27 0.055(3) 0.058(4) 0.032(3) 0.003(2) -0.013(2) -0.027(3) +C28 0.072(3) 0.051(3) 0.046(3) 0.005(3) -0.031(3) -0.023(3) +C29 0.054(3) 0.057(4) 0.047(3) 0.013(3) -0.019(3) -0.019(3) +C30 0.047(3) 0.047(3) 0.037(3) 0.006(2) -0.004(2) -0.024(3) +C31 0.036(2) 0.049(3) 0.022(2) 0.002(2) -0.004(2) -0.018(2) +C32 0.027(2) 0.048(3) 0.034(3) -0.004(2) 0.000(2) -0.016(2) +C33 0.041(5) 0.054(7) 0.041(6) 0.000(5) -0.003(5) -0.016(5) +C34 0.045(5) 0.056(6) 0.040(5) -0.004(4) -0.011(5) -0.020(4) +C35 0.056(6) 0.059(7) 0.023(5) 0.006(5) -0.006(5) -0.027(5) +C36 0.035(5) 0.068(7) 0.035(5) 0.003(5) 0.013(5) -0.022(5) +C37 0.052(6) 0.073(7) 0.021(5) -0.006(4) -0.004(4) -0.028(5) +C38 0.068(6) 0.079(8) 0.024(5) -0.004(5) -0.009(5) -0.040(6) +C39 0.086(11) 0.068(12) 0.071(10) -0.038(8) -0.022(8) -0.021(9) +C40 0.077(15) 0.073(19) 0.064(15) 0.007(10) -0.029(14) -0.042(15) +C41 0.073(10) 0.074(11) 0.083(12) -0.003(8) -0.036(12) -0.036(10) +C43 0.041(5) 0.028(5) 0.033(6) -0.001(4) -0.015(5) -0.012(4) +C44 0.064(8) 0.034(7) 0.044(7) 0.003(5) -0.025(7) -0.017(7) +C46 0.068(7) 0.062(8) 0.073(8) -0.024(6) -0.016(7) -0.015(6) +C47 0.058(10) 0.047(12) 0.059(12) -0.019(8) 0.017(9) -0.031(10) +loop_ +_atom_type_symbol +_atom_type_description +_atom_type_scat_dispersion_real +_atom_type_scat_dispersion_imag +_atom_type_scat_source +C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' +H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' +N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' +O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' +Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' +loop_ +_geom_angle_atom_site_label_1 +_geom_angle_atom_site_label_2 +_geom_angle_atom_site_label_3 +_geom_angle +_geom_angle_site_symmetry_1 +_geom_angle_site_symmetry_3 +O1 Mg1 N4 102.06(12) . . +O1 Mg1 N6 102.41(11) . . +N4 Mg1 N6 88.64(13) . . +O1 Mg1 N8 103.49(12) . . +N4 Mg1 N8 154.45(13) . . +N6 Mg1 N8 86.02(13) . . +O1 Mg1 N2 102.68(11) . . +N4 Mg1 N2 85.98(12) . . +N6 Mg1 N2 154.91(13) . . +N8 Mg1 N2 88.34(13) . . +C1 N1 C32 124.1(3) . . +C8 N2 C1 108.0(3) . . +C8 N2 Mg1 125.9(2) . . +C1 N2 Mg1 123.9(2) . . +C9 N3 C8 123.3(3) . . +C16 N4 C9 107.4(3) . . +C16 N4 Mg1 124.0(3) . . +C9 N4 Mg1 126.9(2) . . +C17 N5 C16 122.8(3) . . +C24 N6 C17 109.5(3) . . +C24 N6 Mg1 125.9(3) . . +C17 N6 Mg1 123.5(2) . . +C25 N7 C24 122.1(4) . . +C32 N8 C25 107.8(3) . . +C32 N8 Mg1 124.2(2) . . +C25 N8 Mg1 125.8(3) . . +C33 N9 C37 115.0(6) . . +C33 N9 C35 63.2(5) . 2_556 +C37 N9 C35 96.8(6) . 2_556 +C33 N9 C34 87.2(5) . 2_556 +C37 N9 C34 51.8(4) . 2_556 +C35 N9 C34 45.0(4) 2_556 2_556 +C46 N10 C38 71.3(7) . . +C46 N10 C42 57.0(6) . . +C38 N10 C42 119.6(8) . . +C46 N10 C45 45.3(6) . . +C38 N10 C45 111.9(7) . . +C42 N10 C45 12.5(6) . . +C40 N11 C43 112(4) . . +C40 N11 C47 14(3) . . +C43 N11 C47 125.4(17) . . +C40 N11 C41 59(4) . . +C43 N11 C41 52.8(10) . . +C47 N11 C41 72.6(11) . . +C40 N11 C39 30(4) . . +C43 N11 C39 136.8(15) . . +C47 N11 C39 21.3(9) . . +C41 N11 C39 86.6(10) . . +N1 C1 N2 127.6(3) . . +N1 C1 C2 122.5(4) . . +N2 C1 C2 109.9(3) . . +C3 C2 C7 121.6(4) . . +C3 C2 C1 131.5(4) . . +C7 C2 C1 106.8(3) . . +C4 C3 C2 117.4(4) . . +C3 C4 C5 120.5(4) . . +C6 C5 C4 122.5(4) . . +C5 C6 C7 117.5(4) . . +C6 C7 C2 120.5(4) . . +C6 C7 C8 134.3(4) . . +C2 C7 C8 105.2(3) . . +N3 C8 N2 126.8(3) . . +N3 C8 C7 123.2(3) . . +N2 C8 C7 110.0(3) . . +N3 C9 N4 126.0(3) . . +N3 C9 C10 123.7(3) . . +N4 C9 C10 110.4(3) . . +C11 C10 C15 120.5(4) . . +C11 C10 C9 134.8(3) . . +C15 C10 C9 104.7(3) . . +C12 C11 C10 117.7(4) . . +C11 C12 C13 121.7(4) . . +C14 C13 C12 120.4(4) . . +C13 C14 C15 119.2(4) . . +C14 C15 C10 120.5(4) . . +C14 C15 C16 132.4(4) . . +C10 C15 C16 107.1(3) . . +N5 C16 N4 128.3(4) . . +N5 C16 C15 121.2(4) . . +N4 C16 C15 110.5(3) . . +N5 C17 N6 129.0(3) . . +N5 C17 C18 123.1(4) . . +N6 C17 C18 107.8(4) . . +C23 C18 C19 121.1(4) . . +C23 C18 C17 107.2(4) . . +C19 C18 C17 131.7(4) . . +C20 C19 C18 116.3(5) . . +C21 C20 C19 122.3(5) . . +C22 C21 C20 121.3(5) . . +C21 C22 C23 118.2(5) . . +C22 C23 C18 120.7(4) . . +C22 C23 C24 133.2(5) . . +C18 C23 C24 106.0(3) . . +N7 C24 N6 128.3(4) . . +N7 C24 C23 122.3(4) . . +N6 C24 C23 109.4(4) . . +N7 C25 N8 127.3(4) . . +N7 C25 C26 123.4(4) . . +N8 C25 C26 109.2(3) . . +C27 C26 C31 120.0(4) . . +C27 C26 C25 133.6(4) . . +C31 C26 C25 106.4(3) . . +C28 C27 C26 119.1(4) . . +C27 C28 C29 120.9(4) . . +C30 C29 C28 120.3(5) . . +C31 C30 C29 118.5(4) . . +C30 C31 C26 121.2(4) . . +C30 C31 C32 132.8(4) . . +C26 C31 C32 106.0(4) . . +N1 C32 N8 127.1(4) . . +N1 C32 C31 122.3(4) . . +N8 C32 C31 110.5(3) . . +N9 C33 C34 124.8(8) . . +N9 C33 C35 65.1(6) . 2_556 +C34 C33 C35 101.0(7) . 2_556 +N9 C33 C36 118.9(8) . 2_556 +C34 C33 C36 72.1(6) . 2_556 +C35 C33 C36 53.8(5) 2_556 2_556 +C33 C34 C35 119.2(8) . . +C33 C34 C37 108.0(7) . 2_556 +C35 C34 C37 96.3(7) . 2_556 +C33 C34 C36 58.7(5) . 2_556 +C35 C34 C36 122.3(7) . 2_556 +C37 C34 C36 49.4(4) 2_556 2_556 +C33 C34 N9 126.4(7) . 2_556 +C35 C34 N9 52.5(5) . 2_556 +C37 C34 N9 43.8(4) 2_556 2_556 +C36 C34 N9 81.8(5) 2_556 2_556 +C34 C35 C36 117.3(7) . . +C34 C35 C33 104.7(7) . 2_556 +C36 C35 C33 63.8(6) . 2_556 +C34 C35 N9 82.5(6) . 2_556 +C36 C35 N9 115.5(8) . 2_556 +C33 C35 N9 51.8(5) 2_556 2_556 +C37 C36 C35 119.4(7) . . +C37 C36 C33 107.1(7) . 2_556 +C35 C36 C33 62.4(6) . 2_556 +C37 C36 C34 58.1(5) . 2_556 +C35 C36 C34 91.3(7) . 2_556 +C33 C36 C34 49.2(4) 2_556 2_556 +N9 C37 C36 124.2(7) . . +N9 C37 C34 84.4(6) . 2_556 +C36 C37 C34 72.5(6) . 2_556 +N10 C38 C39 125.4(10) . . +N10 C38 C46 53.6(6) . . +C39 C38 C46 77.7(8) . . +N10 C38 C47 102.3(8) . . +C39 C38 C47 26.6(7) . . +C46 C38 C47 51.4(7) . . +C47 C39 C40 34(2) . . +C47 C39 C38 98(3) . . +C40 C39 C38 115.7(15) . . +C47 C39 C46 43(2) . . +C40 C39 C46 64.4(12) . . +C38 C39 C46 55.2(7) . . +C47 C39 N11 47(2) . . +C40 C39 N11 14.7(13) . . +C38 C39 N11 127.8(13) . . +C46 C39 N11 78.8(9) . . +N11 C40 C47 156(6) . . +N11 C40 C39 135(5) . . +C47 C40 C39 29.2(18) . . +N11 C40 C41 97(4) . . +C47 C40 C41 107(3) . . +C39 C40 C41 121.8(17) . . +N11 C40 C43 46(4) . . +C47 C40 C43 158(3) . . +C39 C40 C43 158.6(18) . . +C41 C40 C43 51.4(10) . . +N11 C40 C46 153(5) . . +C47 C40 C46 51.4(18) . . +C39 C40 C46 71.1(11) . . +C41 C40 C46 55.4(10) . . +C43 C40 C46 106.8(15) . . +C44 C41 C45 93(2) . . +C44 C41 C43 63.7(15) . . +C45 C41 C43 156.4(18) . . +C44 C41 C42 104(2) . . +C45 C41 C42 24.6(8) . . +C43 C41 C42 155.4(11) . . +C44 C41 C40 136(2) . . +C45 C41 C40 131.2(16) . . +C43 C41 C40 72.4(12) . . +C42 C41 C40 116.0(14) . . +C44 C41 C46 152(2) . . +C45 C41 C46 59.4(10) . . +C43 C41 C46 144.1(15) . . +C42 C41 C46 51.4(7) . . +C40 C41 C46 71.8(11) . . +C44 C41 N11 113(2) . . +C45 C41 N11 154.7(17) . . +C43 C41 N11 48.8(9) . . +C42 C41 N11 137.0(14) . . +C40 C41 N11 23.5(11) . . +C46 C41 N11 95.3(12) . . +C44 C41 C47 161(2) . . +C45 C41 C47 105.7(13) . . +C43 C41 C47 97.8(13) . . +C42 C41 C47 93.1(10) . . +C40 C41 C47 25.5(9) . . +C46 C41 C47 46.3(8) . . +N11 C41 C47 49.0(10) . . +C45 C42 C46 81.6(16) . . +C45 C42 N10 139.9(18) . . +C46 C42 N10 60.1(7) . . +C45 C42 C41 42.9(14) . . +C46 C42 C41 69.2(9) . . +N10 C42 C41 121.3(10) . . +C45 C42 C44 38.4(14) . . +C46 C42 C44 96.1(9) . . +N10 C42 C44 147.4(9) . . +C41 C42 C44 27.8(7) . . +C44 C43 N11 116.7(10) . . +C44 C43 C41 38.4(7) . . +N11 C43 C41 78.3(10) . . +C44 C43 C40 94.6(9) . . +N11 C43 C40 22.1(11) . . +C41 C43 C40 56.3(10) . . +C41 C44 C43 78.0(18) . . +C41 C44 C45 48.0(15) . . +C43 C44 C45 126.0(11) . . +C41 C44 C42 48.1(15) . . +C43 C44 C42 122.1(10) . . +C45 C44 C42 16.4(5) . . +C42 C45 C41 112.5(19) . . +C42 C45 C46 70.5(15) . . +C41 C45 C46 78.8(11) . . +C42 C45 C44 125.2(18) . . +C41 C45 C44 39.2(11) . . +C46 C45 C44 118.0(11) . . +C42 C45 N10 27.6(13) . . +C41 C45 N10 107.4(12) . . +C46 C45 N10 44.4(6) . . +C44 C45 N10 137.8(8) . . +C42 C46 N10 63.0(8) . . +C42 C46 C45 27.9(7) . . +N10 C46 C45 90.4(10) . . +C42 C46 C47 130.9(11) . . +N10 C46 C47 119.8(10) . . +C45 C46 C47 123.1(12) . . +C42 C46 C41 59.4(9) . . +N10 C46 C41 115.4(9) . . +C45 C46 C41 41.7(7) . . +C47 C46 C41 81.5(11) . . +C42 C46 C38 110.8(10) . . +N10 C46 C38 55.1(6) . . +C45 C46 C38 137.2(10) . . +C47 C46 C38 68.4(9) . . +C41 C46 C38 126.7(9) . . +C42 C46 C40 106.1(11) . . +N10 C46 C40 127.1(10) . . +C45 C46 C40 94.5(11) . . +C47 C46 C40 28.7(10) . . +C41 C46 C40 52.8(11) . . +C38 C46 C40 89.4(11) . . +C42 C46 C39 127.9(9) . . +N10 C46 C39 98.7(8) . . +C45 C46 C39 133.2(9) . . +C47 C46 C39 21.5(8) . . +C41 C46 C39 94.6(10) . . +C38 C46 C39 47.2(6) . . +C40 C46 C39 44.6(11) . . +C39 C47 C40 117(4) . . +C39 C47 C46 115(3) . . +C40 C47 C46 100(2) . . +C39 C47 N11 112(3) . . +C40 C47 N11 11(3) . . +C46 C47 N11 110.6(15) . . +C39 C47 C38 56(2) . . +C40 C47 C38 133(2) . . +C46 C47 C38 60.2(9) . . +N11 C47 C38 139.6(15) . . +C39 C47 C41 134(2) . . +C40 C47 C41 48(2) . . +C46 C47 C41 52.2(8) . . +N11 C47 C41 58.4(11) . . +C38 C47 C41 100.5(10) . . +loop_ +_geom_bond_atom_site_label_1 +_geom_bond_atom_site_label_2 +_geom_bond_distance +_geom_bond_site_symmetry_2 +O1 Mg1 2.002(3) . +Mg1 N4 2.017(3) . +Mg1 N6 2.022(3) . +Mg1 N8 2.025(3) . +Mg1 N2 2.030(3) . +N1 C1 1.341(4) . +N1 C32 1.353(4) . +N2 C8 1.362(4) . +N2 C1 1.364(4) . +N3 C9 1.350(4) . +N3 C8 1.351(4) . +N4 C16 1.368(4) . +N4 C9 1.370(4) . +N5 C17 1.325(4) . +N5 C16 1.344(4) . +N6 C24 1.361(4) . +N6 C17 1.377(4) . +N7 C25 1.333(4) . +N7 C24 1.340(4) . +N8 C32 1.362(4) . +N8 C25 1.377(4) . +N9 C33 1.345(9) . +N9 C37 1.350(9) . +N9 C35 1.553(10) 2_556 +N9 C34 1.941(10) 2_556 +N10 C46 1.326(11) . +N10 C38 1.351(10) . +N10 C42 1.363(11) . +N10 C45 1.897(13) . +N11 C40 0.69(2) . +N11 C43 1.32(2) . +N11 C47 1.52(3) . +N11 C41 1.71(3) . +N11 C39 1.93(2) . +C1 C2 1.447(4) . +C2 C3 1.393(4) . +C2 C7 1.401(4) . +C3 C4 1.382(5) . +C4 C5 1.394(5) . +C5 C6 1.375(5) . +C6 C7 1.384(4) . +C7 C8 1.467(4) . +C9 C10 1.470(5) . +C10 C11 1.387(5) . +C10 C15 1.410(5) . +C11 C12 1.387(5) . +C12 C13 1.391(5) . +C13 C14 1.373(5) . +C14 C15 1.377(5) . +C15 C16 1.439(5) . +C17 C18 1.468(5) . +C18 C23 1.398(5) . +C18 C19 1.402(5) . +C19 C20 1.396(6) . +C20 C21 1.374(6) . +C21 C22 1.372(6) . +C22 C23 1.389(5) . +C23 C24 1.459(5) . +C25 C26 1.458(5) . +C26 C27 1.396(5) . +C26 C31 1.404(5) . +C27 C28 1.375(5) . +C28 C29 1.408(5) . +C29 C30 1.396(5) . +C30 C31 1.383(5) . +C31 C32 1.446(5) . +C33 C34 1.369(10) . +C33 C35 1.528(11) 2_556 +C33 C36 1.547(11) 2_556 +C34 C35 1.384(10) . +C34 C37 1.532(10) 2_556 +C34 C36 1.722(11) 2_556 +C34 N9 1.941(10) 2_556 +C35 C36 1.391(11) . +C35 C33 1.528(11) 2_556 +C35 N9 1.553(10) 2_556 +C36 C37 1.370(10) . +C36 C33 1.547(11) 2_556 +C36 C34 1.722(11) 2_556 +C37 C34 1.532(10) 2_556 +C38 C39 1.395(18) . +C38 C46 1.560(12) . +C38 C47 1.67(2) . +C39 C47 0.754(15) . +C39 C40 1.38(3) . +C39 C46 1.857(16) . +C40 C47 0.86(2) . +C40 C41 1.48(3) . +C40 C43 1.70(3) . +C40 C46 1.77(2) . +C41 C44 0.884(13) . +C41 C45 1.041(16) . +C41 C43 1.394(16) . +C41 C42 1.414(18) . +C41 C46 1.535(16) . +C41 C47 1.92(2) . +C42 C45 0.638(14) . +C42 C46 1.284(13) . +C42 C44 1.841(15) . +C43 C44 1.277(16) . +C44 C45 1.398(17) . +C45 C46 1.347(14) . +C46 C47 1.40(2) . +loop_ +_geom_hbond_atom_site_label_D +_geom_hbond_atom_site_label_H +_geom_hbond_atom_site_label_A +_geom_hbond_distance_DH +_geom_hbond_distance_HA +_geom_hbond_distance_DA +_geom_hbond_angle_DHA +_geom_hbond_site_symmetry_A +O1 H1A N3 1.06(3) 1.74(3) 2.791(4) 171(3) 2 +O1 H1B N9 0.86(3) 1.80(3) 2.664(6) 176(3) . +loop_ +_geom_torsion_atom_site_label_1 +_geom_torsion_atom_site_label_2 +_geom_torsion_atom_site_label_3 +_geom_torsion_atom_site_label_4 +_geom_torsion +_geom_torsion_site_symmetry_1 +_geom_torsion_site_symmetry_4 +O1 Mg1 N2 C8 78.8(3) . . +N4 Mg1 N2 C8 -22.7(3) . . +N6 Mg1 N2 C8 -100.8(4) . . +N8 Mg1 N2 C8 -177.8(3) . . +O1 Mg1 N2 C1 -82.5(3) . . +N4 Mg1 N2 C1 176.1(3) . . +N6 Mg1 N2 C1 98.0(4) . . +N8 Mg1 N2 C1 21.0(3) . . +O1 Mg1 N4 C16 82.8(3) . . +N6 Mg1 N4 C16 -19.6(3) . . +N8 Mg1 N4 C16 -97.5(4) . . +N2 Mg1 N4 C16 -175.1(3) . . +O1 Mg1 N4 C9 -80.1(3) . . +N6 Mg1 N4 C9 177.5(3) . . +N8 Mg1 N4 C9 99.7(4) . . +N2 Mg1 N4 C9 22.0(3) . . +O1 Mg1 N6 C24 82.9(3) . . +N4 Mg1 N6 C24 -175.1(3) . . +N8 Mg1 N6 C24 -20.1(3) . . +N2 Mg1 N6 C24 -97.5(4) . . +O1 Mg1 N6 C17 -83.9(3) . . +N4 Mg1 N6 C17 18.2(3) . . +N8 Mg1 N6 C17 173.2(3) . . +N2 Mg1 N6 C17 95.7(4) . . +O1 Mg1 N8 C32 81.0(3) . . +N4 Mg1 N8 C32 -98.8(4) . . +N6 Mg1 N8 C32 -177.2(3) . . +N2 Mg1 N8 C32 -21.6(3) . . +O1 Mg1 N8 C25 -80.3(3) . . +N4 Mg1 N8 C25 99.9(4) . . +N6 Mg1 N8 C25 21.5(3) . . +N2 Mg1 N8 C25 177.1(3) . . +C32 N1 C1 N2 -0.7(6) . . +C32 N1 C1 C2 -179.6(3) . . +C8 N2 C1 N1 -178.6(3) . . +Mg1 N2 C1 N1 -14.5(5) . . +C8 N2 C1 C2 0.4(4) . . +Mg1 N2 C1 C2 164.5(2) . . +N1 C1 C2 C3 0.3(6) . . +N2 C1 C2 C3 -178.7(4) . . +N1 C1 C2 C7 178.6(3) . . +N2 C1 C2 C7 -0.4(4) . . +C7 C2 C3 C4 -0.2(5) . . +C1 C2 C3 C4 177.8(4) . . +C2 C3 C4 C5 0.1(6) . . +C3 C4 C5 C6 0.4(6) . . +C4 C5 C6 C7 -0.6(6) . . +C5 C6 C7 C2 0.4(6) . . +C5 C6 C7 C8 -178.0(4) . . +C3 C2 C7 C6 0.0(5) . . +C1 C2 C7 C6 -178.5(3) . . +C3 C2 C7 C8 178.8(3) . . +C1 C2 C7 C8 0.3(4) . . +C9 N3 C8 N2 0.2(5) . . +C9 N3 C8 C7 -179.0(3) . . +C1 N2 C8 N3 -179.4(3) . . +Mg1 N2 C8 N3 16.9(5) . . +C1 N2 C8 C7 -0.2(4) . . +Mg1 N2 C8 C7 -163.9(2) . . +C6 C7 C8 N3 -2.3(6) . . +C2 C7 C8 N3 179.2(3) . . +C6 C7 C8 N2 178.5(4) . . +C2 C7 C8 N2 -0.1(4) . . +C8 N3 C9 N4 -1.2(5) . . +C8 N3 C9 C10 178.8(3) . . +C16 N4 C9 N3 179.7(3) . . +Mg1 N4 C9 N3 -15.1(5) . . +C16 N4 C9 C10 -0.2(4) . . +Mg1 N4 C9 C10 164.9(2) . . +N3 C9 C10 C11 -0.5(6) . . +N4 C9 C10 C11 179.5(4) . . +N3 C9 C10 C15 179.6(3) . . +N4 C9 C10 C15 -0.4(4) . . +C15 C10 C11 C12 -0.5(5) . . +C9 C10 C11 C12 179.6(4) . . +C10 C11 C12 C13 -0.3(6) . . +C11 C12 C13 C14 1.0(7) . . +C12 C13 C14 C15 -0.9(6) . . +C13 C14 C15 C10 0.1(6) . . +C13 C14 C15 C16 179.7(4) . . +C11 C10 C15 C14 0.6(6) . . +C9 C10 C15 C14 -179.5(3) . . +C11 C10 C15 C16 -179.1(3) . . +C9 C10 C15 C16 0.8(4) . . +C17 N5 C16 N4 1.2(6) . . +C17 N5 C16 C15 -179.8(3) . . +C9 N4 C16 N5 179.9(4) . . +Mg1 N4 C16 N5 14.2(5) . . +C9 N4 C16 C15 0.8(4) . . +Mg1 N4 C16 C15 -164.9(2) . . +C14 C15 C16 N5 0.2(6) . . +C10 C15 C16 N5 179.8(3) . . +C14 C15 C16 N4 179.3(4) . . +C10 C15 C16 N4 -1.0(4) . . +C16 N5 C17 N6 -2.9(6) . . +C16 N5 C17 C18 -179.6(3) . . +C24 N6 C17 N5 -179.7(4) . . +Mg1 N6 C17 N5 -11.0(5) . . +C24 N6 C17 C18 -2.6(4) . . +Mg1 N6 C17 C18 166.0(2) . . +N5 C17 C18 C23 179.2(3) . . +N6 C17 C18 C23 2.0(4) . . +N5 C17 C18 C19 -2.9(6) . . +N6 C17 C18 C19 179.8(4) . . +C23 C18 C19 C20 -2.6(6) . . +C17 C18 C19 C20 179.8(4) . . +C18 C19 C20 C21 2.7(7) . . +C19 C20 C21 C22 -1.9(8) . . +C20 C21 C22 C23 0.8(7) . . +C21 C22 C23 C18 -0.8(7) . . +C21 C22 C23 C24 179.9(4) . . +C19 C18 C23 C22 1.8(6) . . +C17 C18 C23 C22 179.9(4) . . +C19 C18 C23 C24 -178.7(3) . . +C17 C18 C23 C24 -0.6(4) . . +C25 N7 C24 N6 3.3(6) . . +C25 N7 C24 C23 -178.4(3) . . +C17 N6 C24 N7 -179.3(4) . . +Mg1 N6 C24 N7 12.4(5) . . +C17 N6 C24 C23 2.3(4) . . +Mg1 N6 C24 C23 -166.0(2) . . +C22 C23 C24 N7 -0.2(7) . . +C18 C23 C24 N7 -179.6(3) . . +C22 C23 C24 N6 178.4(4) . . +C18 C23 C24 N6 -1.0(4) . . +C24 N7 C25 N8 -1.5(6) . . +C24 N7 C25 C26 179.1(3) . . +C32 N8 C25 N7 -179.5(4) . . +Mg1 N8 C25 N7 -15.7(5) . . +C32 N8 C25 C26 0.0(4) . . +Mg1 N8 C25 C26 163.8(2) . . +N7 C25 C26 C27 0.9(6) . . +N8 C25 C26 C27 -178.6(4) . . +N7 C25 C26 C31 179.2(3) . . +N8 C25 C26 C31 -0.3(4) . . +C31 C26 C27 C28 -1.3(6) . . +C25 C26 C27 C28 176.9(4) . . +C26 C27 C28 C29 0.8(6) . . +C27 C28 C29 C30 0.0(7) . . +C28 C29 C30 C31 -0.5(6) . . +C29 C30 C31 C26 0.0(6) . . +C29 C30 C31 C32 -177.6(4) . . +C27 C26 C31 C30 0.9(6) . . +C25 C26 C31 C30 -177.8(3) . . +C27 C26 C31 C32 179.0(3) . . +C25 C26 C31 C32 0.4(4) . . +C1 N1 C32 N8 0.0(6) . . +C1 N1 C32 C31 179.7(3) . . +C25 N8 C32 N1 180.0(3) . . +Mg1 N8 C32 N1 15.8(5) . . +C25 N8 C32 C31 0.3(4) . . +Mg1 N8 C32 C31 -163.9(2) . . +C30 C31 C32 N1 -2.3(6) . . +C26 C31 C32 N1 179.8(3) . . +C30 C31 C32 N8 177.4(4) . . +C26 C31 C32 N8 -0.4(4) . . +C37 N9 C33 C34 1.4(13) . . +C35 N9 C33 C34 86.2(10) 2_556 . +C34 N9 C33 C34 46.4(10) 2_556 . +C37 N9 C33 C35 -84.8(7) . 2_556 +C34 N9 C33 C35 -39.7(4) 2_556 2_556 +C37 N9 C33 C36 -86.1(9) . 2_556 +C35 N9 C33 C36 -1.3(6) 2_556 2_556 +C34 N9 C33 C36 -41.0(7) 2_556 2_556 +N9 C33 C34 C35 -1.0(13) . . +C35 C33 C34 C35 66.2(10) 2_556 . +C36 C33 C34 C35 112.1(9) 2_556 . +N9 C33 C34 C37 -109.3(9) . 2_556 +C35 C33 C34 C37 -42.1(8) 2_556 2_556 +C36 C33 C34 C37 3.8(7) 2_556 2_556 +N9 C33 C34 C36 -113.1(10) . 2_556 +C35 C33 C34 C36 -46.0(5) 2_556 2_556 +N9 C33 C34 N9 -64.0(12) . 2_556 +C35 C33 C34 N9 3.2(9) 2_556 2_556 +C36 C33 C34 N9 49.2(8) 2_556 2_556 +C33 C34 C35 C36 -0.4(13) . . +C37 C34 C35 C36 114.3(9) 2_556 . +C36 C34 C35 C36 69.1(12) 2_556 . +N9 C34 C35 C36 114.9(10) 2_556 . +C33 C34 C35 C33 -68.1(11) . 2_556 +C37 C34 C35 C33 46.5(7) 2_556 2_556 +C36 C34 C35 C33 1.3(10) 2_556 2_556 +N9 C34 C35 C33 47.2(5) 2_556 2_556 +C33 C34 C35 N9 -115.3(8) . 2_556 +C37 C34 C35 N9 -0.6(6) 2_556 2_556 +C36 C34 C35 N9 -45.8(8) 2_556 2_556 +C34 C35 C36 C37 1.4(13) . . +C33 C35 C36 C37 95.0(9) 2_556 . +N9 C35 C36 C37 96.2(10) 2_556 . +C34 C35 C36 C33 -93.6(9) . 2_556 +N9 C35 C36 C33 1.2(6) 2_556 2_556 +C34 C35 C36 C34 -52.2(10) . 2_556 +C33 C35 C36 C34 41.5(5) 2_556 2_556 +N9 C35 C36 C34 42.6(7) 2_556 2_556 +C33 N9 C37 C36 -0.3(12) . . +C35 N9 C37 C36 -63.8(10) 2_556 . +C34 N9 C37 C36 -64.4(8) 2_556 . +C33 N9 C37 C34 64.2(8) . 2_556 +C35 N9 C37 C34 0.7(6) 2_556 2_556 +C35 C36 C37 N9 -1.1(14) . . +C33 C36 C37 N9 66.4(11) 2_556 . +C34 C36 C37 N9 70.3(8) 2_556 . +C35 C36 C37 C34 -71.3(9) . 2_556 +C33 C36 C37 C34 -3.8(7) 2_556 2_556 +C46 N10 C38 C39 -31.8(10) . . +C42 N10 C38 C39 -0.5(14) . . +C45 N10 C38 C39 -11.4(12) . . +C42 N10 C38 C46 31.3(7) . . +C45 N10 C38 C46 20.4(6) . . +C46 N10 C38 C47 -17.4(8) . . +C42 N10 C38 C47 13.9(11) . . +C45 N10 C38 C47 3.0(9) . . +N10 C38 C39 C47 33(3) . . +C46 C38 C39 C47 7(2) . . +N10 C38 C39 C40 2.7(18) . . +C46 C38 C39 C40 -23.1(14) . . +C47 C38 C39 C40 -30.3(19) . . +N10 C38 C39 C46 25.7(8) . . +C47 C38 C39 C46 -7(2) . . +N10 C38 C39 N11 -7.1(17) . . +C46 C38 C39 N11 -32.8(12) . . +C47 C38 C39 N11 -40.0(19) . . +C40 N11 C39 C47 -24(6) . . +C43 N11 C39 C47 -66(3) . . +C41 N11 C39 C47 -48(3) . . +C43 N11 C39 C40 -43(5) . . +C47 N11 C39 C40 24(6) . . +C41 N11 C39 C40 -24(5) . . +C40 N11 C39 C38 37(6) . . +C43 N11 C39 C38 -6(3) . . +C47 N11 C39 C38 60(3) . . +C41 N11 C39 C38 12.6(15) . . +C40 N11 C39 C46 10(6) . . +C43 N11 C39 C46 -32.9(18) . . +C47 N11 C39 C46 34(2) . . +C41 N11 C39 C46 -14.4(8) . . +C43 N11 C40 C47 -172(10) . . +C41 N11 C40 C47 -170(13) . . +C39 N11 C40 C47 38(9) . . +C43 N11 C40 C39 150(3) . . +C47 N11 C40 C39 -38(9) . . +C41 N11 C40 C39 151(6) . . +C43 N11 C40 C41 -2(3) . . +C47 N11 C40 C41 170(13) . . +C39 N11 C40 C41 -151(6) . . +C47 N11 C40 C43 172(10) . . +C41 N11 C40 C43 2(3) . . +C39 N11 C40 C43 -150(3) . . +C43 N11 C40 C46 -7(10) . . +C47 N11 C40 C46 165(19) . . +C41 N11 C40 C46 -6(6) . . +C39 N11 C40 C46 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-55.7(15) . . +C47 C41 C46 C38 -54.9(12) . . +C44 C41 C46 C40 -179(4) . . +C45 C41 C46 C40 177.1(16) . . +C43 C41 C46 C40 -3.1(17) . . +C42 C41 C46 C40 148.6(13) . . +N11 C41 C46 C40 -1.3(15) . . +C47 C41 C46 C40 -0.5(13) . . +C44 C41 C46 C39 165(4) . . +C45 C41 C46 C39 160.4(12) . . +C43 C41 C46 C39 -19.8(19) . . +C42 C41 C46 C39 132.0(10) . . +C40 C41 C46 C39 -16.6(12) . . +N11 C41 C46 C39 -18.0(10) . . +C47 C41 C46 C39 -17.1(9) . . +N10 C38 C46 C42 -30.9(8) . . +C39 C38 C46 C42 123.0(11) . . +C47 C38 C46 C42 127.1(12) . . +C39 C38 C46 N10 153.9(9) . . +C47 C38 C46 N10 158.0(10) . . +N10 C38 C46 C45 -42.0(14) . . +C39 C38 C46 C45 111.9(16) . . +C47 C38 C46 C45 116.0(16) . . +N10 C38 C46 C47 -158.0(10) . . +C39 C38 C46 C47 -4.1(12) . . +N10 C38 C46 C41 -97.6(13) . . +C39 C38 C46 C41 56.3(15) . . +C47 C38 C46 C41 60.4(14) . . +N10 C38 C46 C40 -138.0(10) . . +C39 C38 C46 C40 16.0(11) . . +C47 C38 C46 C40 20.1(10) . . +N10 C38 C46 C39 -153.9(9) . . +C47 C38 C46 C39 4.1(12) . . +N11 C40 C46 C42 35(9) . . +C47 C40 C46 C42 -153(2) . . +C39 C40 C46 C42 -128.2(12) . . +C41 C40 C46 C42 27.8(12) . . +C43 C40 C46 C42 29.4(15) . . +N11 C40 C46 N10 103(8) . . +C47 C40 C46 N10 -85(2) . . +C39 C40 C46 N10 -60.2(16) . . +C41 C40 C46 N10 95.8(15) . . +C43 C40 C46 N10 97.4(16) . . +N11 C40 C46 C45 9(8) . . +C47 C40 C46 C45 -179(2) . . +C39 C40 C46 C45 -154.1(12) . . +C41 C40 C46 C45 2.0(11) . . +C43 C40 C46 C45 3.5(13) . . +N11 C40 C46 C47 -172(10) . . +C39 C40 C46 C47 24.9(19) . . +C41 C40 C46 C47 -179(3) . . +C43 C40 C46 C47 -177(3) . . +N11 C40 C46 C41 7(8) . . +C47 C40 C46 C41 179(3) . . +C39 C40 C46 C41 -156.0(16) . . +C43 C40 C46 C41 1.6(9) . . +N11 C40 C46 C38 146(8) . . +C47 C40 C46 C38 -42(2) . . +C39 C40 C46 C38 -16.7(11) . . +C41 C40 C46 C38 139.3(11) . . +C43 C40 C46 C38 140.9(12) . . +N11 C40 C46 C39 163(9) . . +C47 C40 C46 C39 -24.9(19) . . +C41 C40 C46 C39 156.0(16) . . +C43 C40 C46 C39 157.6(19) . . +C47 C39 C46 C42 107(3) . . +C40 C39 C46 C42 73.2(17) . . +C38 C39 C46 C42 -83.8(14) . . +N11 C39 C46 C42 70.4(14) . . +C47 C39 C46 N10 169(3) . . +C40 C39 C46 N10 135.5(13) . . +C38 C39 C46 N10 -21.4(8) . . +N11 C39 C46 N10 132.7(9) . . +C47 C39 C46 C45 70(3) . . +C40 C39 C46 C45 36.7(18) . . +C38 C39 C46 C45 -120.2(15) . . +N11 C39 C46 C45 34.0(15) . . +C40 C39 C46 C47 -34(3) . . +C38 C39 C46 C47 170(3) . . +N11 C39 C46 C47 -36(3) . . +C47 C39 C46 C41 52(3) . . +C40 C39 C46 C41 18.9(13) . . +C38 C39 C46 C41 -138.0(10) . . +N11 C39 C46 C41 16.2(9) . . +C47 C39 C46 C38 -170(3) . . +C40 C39 C46 C38 156.9(15) . . +N11 C39 C46 C38 154.1(11) . . +C47 C39 C46 C40 34(3) . . +C38 C39 C46 C40 -156.9(15) . . +N11 C39 C46 C40 -2.8(15) . . +C38 C39 C47 C40 -126(3) . . +C46 C39 C47 C40 -117(4) . . +N11 C39 C47 C40 10(3) . . +C40 C39 C47 C46 117(4) . . +C38 C39 C47 C46 -9(3) . . +N11 C39 C47 C46 127(3) . . +C40 C39 C47 N11 -10(3) . . +C38 C39 C47 N11 -136.1(17) . . +C46 C39 C47 N11 -127(3) . . +C40 C39 C47 C38 126(3) . . +C46 C39 C47 C38 9(3) . . +N11 C39 C47 C38 136.1(17) . . +C40 C39 C47 C41 56(3) . . +C38 C39 C47 C41 -70(4) . . +C46 C39 C47 C41 -61(3) . . +N11 C39 C47 C41 66(3) . . +N11 C40 C47 C39 -64(12) . . +C41 C40 C47 C39 126(3) . . +C43 C40 C47 C39 132(6) . . +C46 C40 C47 C39 125(4) . . +N11 C40 C47 C46 171(11) . . +C39 C40 C47 C46 -125(4) . . +C41 C40 C47 C46 1(2) . . +C43 C40 C47 C46 6(8) . . +C39 C40 C47 N11 64(12) . . +C41 C40 C47 N11 -170(13) . . +C43 C40 C47 N11 -164(18) . . +C46 C40 C47 N11 -171(11) . . +N11 C40 C47 C38 -131(10) . . +C39 C40 C47 C38 -67(3) . . +C41 C40 C47 C38 59(4) . . +C43 C40 C47 C38 65(8) . . +C46 C40 C47 C38 58(3) . . +N11 C40 C47 C41 170(13) . . +C39 C40 C47 C41 -126(3) . . +C43 C40 C47 C41 6(5) . . +C46 C40 C47 C41 -1(2) . . +C42 C46 C47 C39 -91(3) . . +N10 C46 C47 C39 -12(3) . . +C45 C46 C47 C39 -125(3) . . +C41 C46 C47 C39 -127(3) . . +C38 C46 C47 C39 8(2) . . +C40 C46 C47 C39 -126(4) . . +C42 C46 C47 C40 35(3) . . +N10 C46 C47 C40 114(2) . . +C45 C46 C47 C40 1(3) . . +C41 C46 C47 C40 -1(2) . . +C38 C46 C47 C40 134(2) . . +C39 C46 C47 C40 126(4) . . +C42 C46 C47 N11 37(2) . . +N10 C46 C47 N11 115.5(15) . . +C45 C46 C47 N11 3(2) . . +C41 C46 C47 N11 1.1(15) . . +C38 C46 C47 N11 136.2(16) . . +C40 C46 C47 N11 2(2) . . +C39 C46 C47 N11 128(4) . . +C42 C46 C47 C38 -99.3(15) . . +N10 C46 C47 C38 -20.7(10) . . +C45 C46 C47 C38 -133.2(12) . . +C41 C46 C47 C38 -135.2(8) . . +C40 C46 C47 C38 -134(2) . . +C39 C46 C47 C38 -8(2) . . +C42 C46 C47 C41 35.8(14) . . +N10 C46 C47 C41 114.4(11) . . +C45 C46 C47 C41 2.0(11) . . +C38 C46 C47 C41 135.2(8) . . +C40 C46 C47 C41 1(2) . . +C39 C46 C47 C41 127(3) . . +C40 N11 C47 C39 120(12) . . +C43 N11 C47 C39 130(3) . . +C41 N11 C47 C39 129(3) . . +C43 N11 C47 C40 9(11) . . +C41 N11 C47 C40 9(11) . . +C39 N11 C47 C40 -120(12) . . +C40 N11 C47 C46 -10(12) . . +C43 N11 C47 C46 0(3) . . +C41 N11 C47 C46 -1.0(14) . . +C39 N11 C47 C46 -130(3) . . +C40 N11 C47 C38 58(12) . . +C43 N11 C47 C38 67(3) . . +C41 N11 C47 C38 67(2) . . +C39 N11 C47 C38 -62(3) . . +C40 N11 C47 C41 -9(11) . . +C43 N11 C47 C41 0.6(16) . . +C39 N11 C47 C41 -129(3) . . +N10 C38 C47 C39 -153(2) . . +C46 C38 C47 C39 -171(3) . . +N10 C38 C47 C40 -57(4) . . +C39 C38 C47 C40 96(5) . . +C46 C38 C47 C40 -75(4) . . +N10 C38 C47 C46 18.0(8) . . +C39 C38 C47 C46 171(3) . . +N10 C38 C47 N11 -69(3) . . +C39 C38 C47 N11 84(3) . . +C46 C38 C47 N11 -87(2) . . +N10 C38 C47 C41 -16.6(11) . . +C39 C38 C47 C41 136(3) . . +C46 C38 C47 C41 -34.5(7) . . +C44 C41 C47 C39 -92(7) . . +C45 C41 C47 C39 88(4) . . +C43 C41 C47 C39 -91(4) . . +C42 C41 C47 C39 67(4) . . +C40 C41 C47 C39 -88(5) . . +C46 C41 C47 C39 91(4) . . +N11 C41 C47 C39 -91(4) . . +C44 C41 C47 C40 -3(6) . . +C45 C41 C47 C40 177(3) . . +C43 C41 C47 C40 -3(3) . . +C42 C41 C47 C40 155(3) . . +C46 C41 C47 C40 179(3) . . +N11 C41 C47 C40 -2(3) . . +C44 C41 C47 C46 178(6) . . +C45 C41 C47 C46 -2.2(12) . . +C43 C41 C47 C46 178.4(11) . . +C42 C41 C47 C46 -23.7(9) . . +C40 C41 C47 C46 -179(3) . . +N11 C41 C47 C46 178.8(16) . . +C44 C41 C47 N11 -1(6) . . +C45 C41 C47 N11 178.9(16) . . +C43 C41 C47 N11 -0.4(12) . . +C42 C41 C47 N11 157.4(14) . . +C40 C41 C47 N11 2(3) . . +C46 C41 C47 N11 -178.8(16) . . +C44 C41 C47 C38 -144(6) . . +C45 C41 C47 C38 36.3(15) . . +C43 C41 C47 C38 -143.1(10) . . +C42 C41 C47 C38 14.8(11) . . +C40 C41 C47 C38 -140(3) . . +C46 C41 C47 C38 38.5(8) . . +N11 C41 C47 C38 -142.6(16) . . diff --git a/tracking/data/1YJP.cif b/tracking/data/1YJP.cif new file mode 100644 index 000000000..4eebca6ca --- /dev/null +++ b/tracking/data/1YJP.cif @@ -0,0 +1,631 @@ +data_1YJP +# +_entry.id 1YJP +# +_audit.revision_id 1 +_audit.creation_date 2005-01-14 +_audit.update_record 'initial release' +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 4.007 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +PDB 1YJP +RCSB RCSB031590 +# +loop_ +_database_PDB_rev.num +_database_PDB_rev.date +_database_PDB_rev.date_original +_database_PDB_rev.mod_type +_database_PDB_rev.replaces +_database_PDB_rev.status +1 2005-06-14 2005-01-15 0 1YJP ? +2 2009-02-24 ? 1 1YJP ? +# +_database_PDB_rev_record.rev_num 2 +_database_PDB_rev_record.type VERSN +_database_PDB_rev_record.details ? +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 1YJO +_pdbx_database_related.details . +_pdbx_database_related.content_type unspecified +# +_pdbx_database_status.entry_id 1YJP +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Nelson, R.' 1 +'Sawaya, M.R.' 2 +'Balbirnie, M.' 3 +'Madsen, A.O.' 4 +'Riekel, C.' 5 +'Grothe, R.' 6 +'Eisenberg, D.' 7 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Structure of the cross-beta spine of amyloid-like fibrils.' Nature 435 773 778 2005 +NATUAS UK 0028-0836 0006 ? 15944695 10.1038/nature03680 +1 'Refinement of Macromolecular Structures by the Maximum-Likelihood Method' 'Acta Crystallogr.,Sect.D' 53 240 255 1997 +ABCRE6 DK 0907-4449 0766 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Nelson, R.' 1 +primary 'Sawaya, M.R.' 2 +primary 'Balbirnie, M.' 3 +primary 'Madsen, A.O.' 4 +primary 'Riekel, C.' 5 +primary 'Grothe, R.' 6 +primary 'Eisenberg, D.' 7 +1 'Murshudov, G.N.' 8 +1 'Vagin, A.A.' 9 +1 'Dodson, E.J.' 10 +# +_cell.entry_id 1YJP +_cell.length_a 21.937 +_cell.length_b 4.866 +_cell.length_c 23.477 +_cell.angle_alpha 90.00 +_cell.angle_beta 107.08 +_cell.angle_gamma 90.00 +_cell.Z_PDB 2 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1YJP +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number ? +_symmetry.space_group_name_Hall ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.details +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +1 polymer syn 'Eukaryotic peptide chain release factor GTP-binding subunit' 836.814 1 ? ? 'prion determining domain of Sup35' ? +2 water nat water 18.015 7 ? ? ? ? +# +loop_ +_entity_keywords.entity_id +_entity_keywords.text +1 ? +2 ? +# +loop_ +_entity_name_com.entity_id +_entity_name_com.name +1 'ERF2, Translation release factor 3, ERF3, ERF-3, Omnipotent suppressor protein 2, G1 to S phase transition protein 1' +2 ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code GNNQQNY +_entity_poly.pdbx_seq_one_letter_code_can GNNQQNY +_entity_poly.pdbx_strand_id A +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLY n +1 2 ASN n +1 3 ASN n +1 4 GLN n +1 5 GLN n +1 6 ASN n +1 7 TYR n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'This sequence is from the prion determining domain of Saccharomyces cerevisiae Sup35' +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code ERF2_YEAST +_struct_ref.pdbx_db_accession P05453 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code GNNQQNY +_struct_ref.pdbx_align_begin 7 +_struct_ref.biol_id . +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1YJP +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 7 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P05453 +_struct_ref_seq.db_align_beg 7 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 13 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 7 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +GLY 'PEPTIDE LINKING' y GLYCINE ? 'C2 H5 N O2' 75.067 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 +HOH NON-POLYMER . WATER ? 'H2 O' 18.015 +# +_exptl.method 'X-RAY DIFFRACTION' +_exptl.entry_id 1YJP +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_percent_sol 14.03 +_exptl_crystal.density_Matthews 1.43 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.pH 7 +_exptl_crystal_grow.temp 298 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pdbx_details 'water, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type MARRESEARCH +_diffrn_detector.pdbx_collection_date 2004-06-12 +_diffrn_detector.details 'Ellipsoidal Mirror' +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.monochromator 'channel-cut Si-111 monochromator' +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.975 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'ESRF BEAMLINE ID13' +_diffrn_source.pdbx_wavelength 0.975 +_diffrn_source.pdbx_wavelength_list 0.975 +_diffrn_source.pdbx_synchrotron_site ESRF +_diffrn_source.pdbx_synchrotron_beamline ID13 +# +_reflns.d_resolution_low 80.00 +_reflns.d_resolution_high 1.80 +_reflns.number_obs 509 +_reflns.percent_possible_obs 89.5 +_reflns.pdbx_Rmerge_I_obs 0.204 +_reflns.pdbx_chi_squared 1.057 +_reflns.entry_id 1YJP +_reflns.observed_criterion_sigma_F 0 +_reflns.observed_criterion_sigma_I 0 +_reflns.number_all 509 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 3.75 +_reflns.B_iso_Wilson_estimate 45.6 +_reflns.pdbx_redundancy 2.0 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_ordinal 1 +_reflns.pdbx_diffrn_id 1 +# +_reflns_shell.d_res_low 1.94 +_reflns_shell.d_res_high 1.80 +_reflns_shell.number_unique_all 85 +_reflns_shell.percent_possible_all 84.2 +_reflns_shell.Rmerge_I_obs 0.491 +_reflns_shell.pdbx_redundancy ? +_reflns_shell.pdbx_chi_squared 1.092 +_reflns_shell.number_unique_obs ? +_reflns_shell.meanI_over_sigI_obs 1.5 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +# +_computing.entry_id 1YJP +_computing.pdbx_data_reduction_ii DENZO +_computing.pdbx_data_reduction_ds SCALEPACK +_computing.data_collection ? +_computing.structure_solution ? +_computing.structure_refinement 'REFMAC 5' +_computing.pdbx_structure_refinement_method ? +# +_refine.entry_id 1YJP +_refine.ls_d_res_high 1.80 +_refine.ls_d_res_low 22.44 +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_ls_sigma_I 0 +_refine.ls_number_reflns_all 474 +_refine.ls_number_reflns_obs 474 +_refine.ls_number_reflns_R_free 20 +_refine.ls_percent_reflns_obs ? +_refine.ls_R_factor_all 0.18139 +_refine.ls_R_factor_obs 0.18139 +_refine.ls_R_factor_R_work 0.18086 +_refine.ls_R_factor_R_free 0.19014 +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_method_to_determine_struct 'FOURIER SYNTHESIS' +_refine.pdbx_starting_model ? +_refine.pdbx_ls_cross_valid_method throughout +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.pdbx_isotropic_thermal_model ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.details ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 59 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 7 +_refine_hist.number_atoms_total 66 +_refine_hist.d_res_high 1.80 +_refine_hist.d_res_low 22.44 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.weight +_refine_ls_restr.pdbx_refine_id +r_angle_refined_deg 1.228 ? ? ? 'X-RAY DIFFRACTION' +r_bond_refined_d 0.014 ? ? ? 'X-RAY DIFFRACTION' +# +_struct.entry_id 1YJP +_struct.title 'Structure of GNNQQNY from yeast prion Sup35' +_struct.pdbx_descriptor PROTEIN +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1YJP +_struct_keywords.pdbx_keywords 'PROTEIN BINDING' +_struct_keywords.text 'beta sheet, steric zipper, glutamine zipper, asparagine zipper, PROTEIN BINDING' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +# +_struct_biol.id 1 +# +_atom_sites.entry_id 1YJP +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 0.045585 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.014006 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.205508 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.044560 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +N +C +O +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x_esd +_atom_site.Cartn_y_esd +_atom_site.Cartn_z_esd +_atom_site.occupancy_esd +_atom_site.B_iso_or_equiv_esd +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? ? ? ? ? ? 1 GLY A N 1 +ATOM 2 C CA . GLY A 1 1 ? -9.052 4.207 4.651 1.00 16.57 ? ? ? ? ? ? 1 GLY A CA 1 +ATOM 3 C C . GLY A 1 1 ? -8.015 3.140 4.419 1.00 16.16 ? ? ? ? ? ? 1 GLY A C 1 +ATOM 4 O O . GLY A 1 1 ? -7.523 2.521 5.381 1.00 16.78 ? ? ? ? ? ? 1 GLY A O 1 +ATOM 5 N N . ASN A 1 2 ? -7.656 2.923 3.155 1.00 15.02 ? ? ? ? ? ? 2 ASN A N 1 +ATOM 6 C CA . ASN A 1 2 ? -6.522 2.038 2.831 1.00 14.10 ? ? ? ? ? ? 2 ASN A CA 1 +ATOM 7 C C . ASN A 1 2 ? -5.241 2.537 3.427 1.00 13.13 ? ? ? ? ? ? 2 ASN A C 1 +ATOM 8 O O . ASN A 1 2 ? -4.978 3.742 3.426 1.00 11.91 ? ? ? ? ? ? 2 ASN A O 1 +ATOM 9 C CB . ASN A 1 2 ? -6.346 1.881 1.341 1.00 15.38 ? ? ? ? ? ? 2 ASN A CB 1 +ATOM 10 C CG . ASN A 1 2 ? -7.584 1.342 0.692 1.00 14.08 ? ? ? ? ? ? 2 ASN A CG 1 +ATOM 11 O OD1 . ASN A 1 2 ? -8.025 0.227 1.016 1.00 17.46 ? ? ? ? ? ? 2 ASN A OD1 1 +ATOM 12 N ND2 . ASN A 1 2 ? -8.204 2.155 -0.169 1.00 11.72 ? ? ? ? ? ? 2 ASN A ND2 1 +ATOM 13 N N . ASN A 1 3 ? -4.438 1.590 3.905 1.00 12.26 ? ? ? ? ? ? 3 ASN A N 1 +ATOM 14 C CA . ASN A 1 3 ? -3.193 1.904 4.589 1.00 11.74 ? ? ? ? ? ? 3 ASN A CA 1 +ATOM 15 C C . ASN A 1 3 ? -1.955 1.332 3.895 1.00 11.10 ? ? ? ? ? ? 3 ASN A C 1 +ATOM 16 O O . ASN A 1 3 ? -1.872 0.119 3.648 1.00 10.42 ? ? ? ? ? ? 3 ASN A O 1 +ATOM 17 C CB . ASN A 1 3 ? -3.259 1.378 6.042 1.00 12.15 ? ? ? ? ? ? 3 ASN A CB 1 +ATOM 18 C CG . ASN A 1 3 ? -2.006 1.739 6.861 1.00 12.82 ? ? ? ? ? ? 3 ASN A CG 1 +ATOM 19 O OD1 . ASN A 1 3 ? -1.702 2.925 7.072 1.00 15.05 ? ? ? ? ? ? 3 ASN A OD1 1 +ATOM 20 N ND2 . ASN A 1 3 ? -1.271 0.715 7.306 1.00 13.48 ? ? ? ? ? ? 3 ASN A ND2 1 +ATOM 21 N N . GLN A 1 4 ? -1.005 2.228 3.598 1.00 10.29 ? ? ? ? ? ? 4 GLN A N 1 +ATOM 22 C CA . GLN A 1 4 ? 0.384 1.888 3.199 1.00 10.53 ? ? ? ? ? ? 4 GLN A CA 1 +ATOM 23 C C . GLN A 1 4 ? 1.435 2.606 4.088 1.00 10.24 ? ? ? ? ? ? 4 GLN A C 1 +ATOM 24 O O . GLN A 1 4 ? 1.547 3.843 4.115 1.00 8.86 ? ? ? ? ? ? 4 GLN A O 1 +ATOM 25 C CB . GLN A 1 4 ? 0.656 2.148 1.711 1.00 9.80 ? ? ? ? ? ? 4 GLN A CB 1 +ATOM 26 C CG . GLN A 1 4 ? 1.944 1.458 1.213 1.00 10.25 ? ? ? ? ? ? 4 GLN A CG 1 +ATOM 27 C CD . GLN A 1 4 ? 2.504 2.044 -0.089 1.00 12.43 ? ? ? ? ? ? 4 GLN A CD 1 +ATOM 28 O OE1 . GLN A 1 4 ? 2.744 3.268 -0.190 1.00 14.62 ? ? ? ? ? ? 4 GLN A OE1 1 +ATOM 29 N NE2 . GLN A 1 4 ? 2.750 1.161 -1.091 1.00 9.05 ? ? ? ? ? ? 4 GLN A NE2 1 +ATOM 30 N N . GLN A 1 5 ? 2.154 1.821 4.871 1.00 10.38 ? ? ? ? ? ? 5 GLN A N 1 +ATOM 31 C CA . GLN A 1 5 ? 3.270 2.361 5.640 1.00 11.39 ? ? ? ? ? ? 5 GLN A CA 1 +ATOM 32 C C . GLN A 1 5 ? 4.594 1.768 5.172 1.00 11.52 ? ? ? ? ? ? 5 GLN A C 1 +ATOM 33 O O . GLN A 1 5 ? 4.768 0.546 5.054 1.00 12.05 ? ? ? ? ? ? 5 GLN A O 1 +ATOM 34 C CB . GLN A 1 5 ? 3.056 2.183 7.147 1.00 11.96 ? ? ? ? ? ? 5 GLN A CB 1 +ATOM 35 C CG . GLN A 1 5 ? 1.829 2.950 7.647 1.00 10.81 ? ? ? ? ? ? 5 GLN A CG 1 +ATOM 36 C CD . GLN A 1 5 ? 1.344 2.414 8.954 1.00 13.10 ? ? ? ? ? ? 5 GLN A CD 1 +ATOM 37 O OE1 . GLN A 1 5 ? 0.774 1.325 9.002 1.00 10.65 ? ? ? ? ? ? 5 GLN A OE1 1 +ATOM 38 N NE2 . GLN A 1 5 ? 1.549 3.187 10.039 1.00 12.30 ? ? ? ? ? ? 5 GLN A NE2 1 +ATOM 39 N N . ASN A 1 6 ? 5.514 2.664 4.856 1.00 11.99 ? ? ? ? ? ? 6 ASN A N 1 +ATOM 40 C CA . ASN A 1 6 ? 6.831 2.310 4.318 1.00 12.30 ? ? ? ? ? ? 6 ASN A CA 1 +ATOM 41 C C . ASN A 1 6 ? 7.854 2.761 5.324 1.00 13.40 ? ? ? ? ? ? 6 ASN A C 1 +ATOM 42 O O . ASN A 1 6 ? 8.219 3.943 5.374 1.00 13.92 ? ? ? ? ? ? 6 ASN A O 1 +ATOM 43 C CB . ASN A 1 6 ? 7.065 3.016 2.993 1.00 12.13 ? ? ? ? ? ? 6 ASN A CB 1 +ATOM 44 C CG . ASN A 1 6 ? 5.961 2.735 2.003 1.00 12.77 ? ? ? ? ? ? 6 ASN A CG 1 +ATOM 45 O OD1 . ASN A 1 6 ? 5.798 1.604 1.551 1.00 14.27 ? ? ? ? ? ? 6 ASN A OD1 1 +ATOM 46 N ND2 . ASN A 1 6 ? 5.195 3.747 1.679 1.00 10.07 ? ? ? ? ? ? 6 ASN A ND2 1 +ATOM 47 N N . TYR A 1 7 ? 8.292 1.817 6.147 1.00 14.70 ? ? ? ? ? ? 7 TYR A N 1 +ATOM 48 C CA . TYR A 1 7 ? 9.159 2.144 7.299 1.00 15.18 ? ? ? ? ? ? 7 TYR A CA 1 +ATOM 49 C C . TYR A 1 7 ? 10.603 2.331 6.885 1.00 15.91 ? ? ? ? ? ? 7 TYR A C 1 +ATOM 50 O O . TYR A 1 7 ? 11.041 1.811 5.855 1.00 15.76 ? ? ? ? ? ? 7 TYR A O 1 +ATOM 51 C CB . TYR A 1 7 ? 9.061 1.065 8.369 1.00 15.35 ? ? ? ? ? ? 7 TYR A CB 1 +ATOM 52 C CG . TYR A 1 7 ? 7.665 0.929 8.902 1.00 14.45 ? ? ? ? ? ? 7 TYR A CG 1 +ATOM 53 C CD1 . TYR A 1 7 ? 6.771 0.021 8.327 1.00 15.68 ? ? ? ? ? ? 7 TYR A CD1 1 +ATOM 54 C CD2 . TYR A 1 7 ? 7.210 1.756 9.920 1.00 14.80 ? ? ? ? ? ? 7 TYR A CD2 1 +ATOM 55 C CE1 . TYR A 1 7 ? 5.480 -0.094 8.796 1.00 13.46 ? ? ? ? ? ? 7 TYR A CE1 1 +ATOM 56 C CE2 . TYR A 1 7 ? 5.904 1.649 10.416 1.00 14.33 ? ? ? ? ? ? 7 TYR A CE2 1 +ATOM 57 C CZ . TYR A 1 7 ? 5.047 0.729 9.831 1.00 15.09 ? ? ? ? ? ? 7 TYR A CZ 1 +ATOM 58 O OH . TYR A 1 7 ? 3.766 0.589 10.291 1.00 14.39 ? ? ? ? ? ? 7 TYR A OH 1 +ATOM 59 O OXT . TYR A 1 7 ? 11.358 2.999 7.612 1.00 17.49 ? ? ? ? ? ? 7 TYR A OXT 1 +HETATM 60 O O . HOH B 2 . ? -6.471 5.227 7.124 1.00 22.62 ? ? ? ? ? ? 8 HOH A O 1 +HETATM 61 O O . HOH B 2 . ? 10.431 1.858 3.216 1.00 19.71 ? ? ? ? ? ? 9 HOH A O 1 +HETATM 62 O O . HOH B 2 . ? -11.286 1.756 -1.468 1.00 17.08 ? ? ? ? ? ? 10 HOH A O 1 +HETATM 63 O O . HOH B 2 . ? 11.808 4.179 9.970 1.00 23.99 ? ? ? ? ? ? 11 HOH A O 1 +HETATM 64 O O . HOH B 2 . ? 13.605 1.327 9.198 1.00 26.17 ? ? ? ? ? ? 12 HOH A O 1 +HETATM 65 O O . HOH B 2 . ? -2.749 3.429 10.024 1.00 39.15 ? ? ? ? ? ? 13 HOH A O 1 +HETATM 66 O O . HOH B 2 . ? -1.500 0.682 10.967 1.00 43.49 ? ? ? ? ? ? 14 HOH A O 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 1 1 GLY GLY A . n +A 1 2 ASN 2 2 2 ASN ASN A . n +A 1 3 ASN 3 3 3 ASN ASN A . n +A 1 4 GLN 4 4 4 GLN GLN A . n +A 1 5 GLN 5 5 5 GLN GLN A . n +A 1 6 ASN 6 6 6 ASN ASN A . n +A 1 7 TYR 7 7 7 TYR TYR A . n +# +_pdbx_database_remark.id 300 +_pdbx_database_remark.text +;BIOMOLECULE: 1 +THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT +WHICH CONSISTS OF 1 CHAIN(S). The second beta strand of +the beta sandwich is generated as described in remark 350. +Beta sheets are generated from unit cell translations +along the unit cell b dimension: x,y+1,z. +; +# +_pdbx_prerelease_seq.entity_id 1 +_pdbx_prerelease_seq.seq_one_letter_code GNNQQNY +# +_software.name 'REFMAC5 (CCP4: Supported Program)' +_software.version ? +_software.date ? +_software.type program +_software.contact_author 'Murshudov, G.N.' +_software.contact_author_email ccp4@dl.ac.uk +_software.classification refinement +_software.location http://www.ccp4.ac.uk/main.html +_software.language fortran +_software.citation_id ? +_software.pdbx_ordinal 1 +# +loop_ +_pdbx_version.entry_id +_pdbx_version.revision_date +_pdbx_version.major_version +_pdbx_version.minor_version +_pdbx_version.revision_type +_pdbx_version.details +1YJP 2008-04-30 3 2 'Version format compliance' 'compliance with PDB format V.3.15' +1YJP 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2 +_pdbx_struct_assembly_gen.asym_id_list A,B +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +2 'crystal symmetry operation' 2_555 -x,y+1/2,-z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 2.4330000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 HOH 1 8 8 HOH HOH A . +B 2 HOH 2 9 9 HOH HOH A . +B 2 HOH 3 10 10 HOH HOH A . +B 2 HOH 4 11 11 HOH HOH A . +B 2 HOH 5 12 12 HOH HOH A . +B 2 HOH 6 13 13 HOH HOH A . +B 2 HOH 7 14 14 HOH HOH A . +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.name water +_pdbx_entity_nonpoly.comp_id HOH +# diff --git a/tracking/data/1YJP.json b/tracking/data/1YJP.json new file mode 100644 index 000000000..28686d298 --- /dev/null +++ b/tracking/data/1YJP.json @@ -0,0 +1,5 @@ +{ + "pdb_file": "1YJP.pdb", + "pdb_mmcif": "1YJP.cif", + "pdb_id": "1YJP" +} diff --git a/tracking/data/1YJP.pdb b/tracking/data/1YJP.pdb new file mode 100644 index 000000000..32a10d901 --- /dev/null +++ b/tracking/data/1YJP.pdb @@ -0,0 +1,343 @@ +HEADER PROTEIN BINDING 15-JAN-05 1YJP +TITLE STRUCTURE OF GNNQQNY FROM YEAST PRION SUP35 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: EUKARYOTIC PEPTIDE CHAIN RELEASE FACTOR GTP- +COMPND 3 BINDING SUBUNIT; +COMPND 4 CHAIN: A; +COMPND 5 FRAGMENT: PRION DETERMINING DOMAIN OF SUP35; +COMPND 6 SYNONYM: ERF2, TRANSLATION RELEASE FACTOR 3, ERF3, ERF-3, +COMPND 7 OMNIPOTENT SUPPRESSOR PROTEIN 2, G1 TO S PHASE TRANSITION +COMPND 8 PROTEIN 1; +COMPND 9 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 SYNTHETIC: YES; +SOURCE 3 OTHER_DETAILS: THIS SEQUENCE IS FROM THE PRION DETERMINING +SOURCE 4 DOMAIN OF SACCHAROMYCES CEREVISIAE SUP35 +KEYWDS BETA SHEET, STERIC ZIPPER, GLUTAMINE ZIPPER, ASPARAGINE +KEYWDS 2 ZIPPER, PROTEIN BINDING +EXPDTA X-RAY DIFFRACTION +AUTHOR R.NELSON,M.R.SAWAYA,M.BALBIRNIE,A.O.MADSEN,C.RIEKEL, +AUTHOR 2 R.GROTHE,D.EISENBERG +REVDAT 2 24-FEB-09 1YJP 1 VERSN +REVDAT 1 14-JUN-05 1YJP 0 +JRNL AUTH R.NELSON,M.R.SAWAYA,M.BALBIRNIE,A.O.MADSEN, +JRNL AUTH 2 C.RIEKEL,R.GROTHE,D.EISENBERG +JRNL TITL STRUCTURE OF THE CROSS-BETA SPINE OF AMYLOID-LIKE +JRNL TITL 2 FIBRILS. +JRNL REF NATURE V. 435 773 2005 +JRNL REFN ISSN 0028-0836 +JRNL PMID 15944695 +JRNL DOI 10.1038/NATURE03680 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH G.N.MURSHUDOV,A.A.VAGIN,E.J.DODSON +REMARK 1 TITL REFINEMENT OF MACROMOLECULAR STRUCTURES BY THE +REMARK 1 TITL 2 MAXIMUM-LIKELIHOOD METHOD +REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 53 240 1997 +REMARK 1 REFN ISSN 0907-4449 +REMARK 2 +REMARK 2 RESOLUTION. 1.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5 +REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON +REMARK 3 +REMARK 3 REFINEMENT TARGET : ENGH & HUBER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.44 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 474 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.181 +REMARK 3 R VALUE (WORKING SET) : 0.181 +REMARK 3 FREE R VALUE : 0.190 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : 20 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 REFLECTION IN BIN (WORKING SET) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE SET COUNT : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 59 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 7 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 45.60 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): NULL +REMARK 3 ESU BASED ON FREE R VALUE (A): NULL +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : NULL +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): NULL ; 0.014 ; NULL +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): NULL ; 1.228 ; NULL +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): NULL ; NULL ; NULL +REMARK 3 GENERAL PLANES REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : NULL +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : NULL +REMARK 3 ION PROBE RADIUS : NULL +REMARK 3 SHRINKAGE RADIUS : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1YJP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JAN-05. +REMARK 100 THE RCSB ID CODE IS RCSB031590. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 12-JUN-04 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : ID13 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.975 +REMARK 200 MONOCHROMATOR : CHANNEL-CUT SI-111 +REMARK 200 MONOCHROMATOR +REMARK 200 OPTICS : ELLIPSOIDAL MIRROR +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 509 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 +REMARK 200 RESOLUTION RANGE LOW (A) : 80.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 89.5 +REMARK 200 DATA REDUNDANCY : 2.000 +REMARK 200 R MERGE (I) : 0.20400 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 3.7500 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.94 +REMARK 200 COMPLETENESS FOR SHELL (%) : 84.2 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.49100 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 1.500 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 14.03 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.43 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: WATER, PH 7, VAPOR DIFFUSION, +REMARK 280 HANGING DROP, TEMPERATURE 298K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 2.43300 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT +REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). THE SECOND BETA STRAND OF +REMARK 300 THE BETA SANDWICH IS GENERATED AS DESCRIBED IN REMARK 350. +REMARK 300 BETA SHEETS ARE GENERATED FROM UNIT CELL TRANSLATIONS +REMARK 300 ALONG THE UNIT CELL B DIMENSION: X,Y+1,Z. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 2.43300 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1YJO RELATED DB: PDB +DBREF 1YJP A 1 7 UNP P05453 ERF2_YEAST 7 13 +SEQRES 1 A 7 GLY ASN ASN GLN GLN ASN TYR +FORMUL 2 HOH *7(H2 O) +CRYST1 21.937 4.866 23.477 90.00 107.08 90.00 P 1 21 1 2 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.045585 0.000000 0.014006 0.00000 +SCALE2 0.000000 0.205508 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.044560 0.00000 +ATOM 1 N GLY A 1 -9.009 4.612 6.102 1.00 16.77 N +ATOM 2 CA GLY A 1 -9.052 4.207 4.651 1.00 16.57 C +ATOM 3 C GLY A 1 -8.015 3.140 4.419 1.00 16.16 C +ATOM 4 O GLY A 1 -7.523 2.521 5.381 1.00 16.78 O +ATOM 5 N ASN A 2 -7.656 2.923 3.155 1.00 15.02 N +ATOM 6 CA ASN A 2 -6.522 2.038 2.831 1.00 14.10 C +ATOM 7 C ASN A 2 -5.241 2.537 3.427 1.00 13.13 C +ATOM 8 O ASN A 2 -4.978 3.742 3.426 1.00 11.91 O +ATOM 9 CB ASN A 2 -6.346 1.881 1.341 1.00 15.38 C +ATOM 10 CG ASN A 2 -7.584 1.342 0.692 1.00 14.08 C +ATOM 11 OD1 ASN A 2 -8.025 0.227 1.016 1.00 17.46 O +ATOM 12 ND2 ASN A 2 -8.204 2.155 -0.169 1.00 11.72 N +ATOM 13 N ASN A 3 -4.438 1.590 3.905 1.00 12.26 N +ATOM 14 CA ASN A 3 -3.193 1.904 4.589 1.00 11.74 C +ATOM 15 C ASN A 3 -1.955 1.332 3.895 1.00 11.10 C +ATOM 16 O ASN A 3 -1.872 0.119 3.648 1.00 10.42 O +ATOM 17 CB ASN A 3 -3.259 1.378 6.042 1.00 12.15 C +ATOM 18 CG ASN A 3 -2.006 1.739 6.861 1.00 12.82 C +ATOM 19 OD1 ASN A 3 -1.702 2.925 7.072 1.00 15.05 O +ATOM 20 ND2 ASN A 3 -1.271 0.715 7.306 1.00 13.48 N +ATOM 21 N GLN A 4 -1.005 2.228 3.598 1.00 10.29 N +ATOM 22 CA GLN A 4 0.384 1.888 3.199 1.00 10.53 C +ATOM 23 C GLN A 4 1.435 2.606 4.088 1.00 10.24 C +ATOM 24 O GLN A 4 1.547 3.843 4.115 1.00 8.86 O +ATOM 25 CB GLN A 4 0.656 2.148 1.711 1.00 9.80 C +ATOM 26 CG GLN A 4 1.944 1.458 1.213 1.00 10.25 C +ATOM 27 CD GLN A 4 2.504 2.044 -0.089 1.00 12.43 C +ATOM 28 OE1 GLN A 4 2.744 3.268 -0.190 1.00 14.62 O +ATOM 29 NE2 GLN A 4 2.750 1.161 -1.091 1.00 9.05 N +ATOM 30 N GLN A 5 2.154 1.821 4.871 1.00 10.38 N +ATOM 31 CA GLN A 5 3.270 2.361 5.640 1.00 11.39 C +ATOM 32 C GLN A 5 4.594 1.768 5.172 1.00 11.52 C +ATOM 33 O GLN A 5 4.768 0.546 5.054 1.00 12.05 O +ATOM 34 CB GLN A 5 3.056 2.183 7.147 1.00 11.96 C +ATOM 35 CG GLN A 5 1.829 2.950 7.647 1.00 10.81 C +ATOM 36 CD GLN A 5 1.344 2.414 8.954 1.00 13.10 C +ATOM 37 OE1 GLN A 5 0.774 1.325 9.002 1.00 10.65 O +ATOM 38 NE2 GLN A 5 1.549 3.187 10.039 1.00 12.30 N +ATOM 39 N ASN A 6 5.514 2.664 4.856 1.00 11.99 N +ATOM 40 CA ASN A 6 6.831 2.310 4.318 1.00 12.30 C +ATOM 41 C ASN A 6 7.854 2.761 5.324 1.00 13.40 C +ATOM 42 O ASN A 6 8.219 3.943 5.374 1.00 13.92 O +ATOM 43 CB ASN A 6 7.065 3.016 2.993 1.00 12.13 C +ATOM 44 CG ASN A 6 5.961 2.735 2.003 1.00 12.77 C +ATOM 45 OD1 ASN A 6 5.798 1.604 1.551 1.00 14.27 O +ATOM 46 ND2 ASN A 6 5.195 3.747 1.679 1.00 10.07 N +ATOM 47 N TYR A 7 8.292 1.817 6.147 1.00 14.70 N +ATOM 48 CA TYR A 7 9.159 2.144 7.299 1.00 15.18 C +ATOM 49 C TYR A 7 10.603 2.331 6.885 1.00 15.91 C +ATOM 50 O TYR A 7 11.041 1.811 5.855 1.00 15.76 O +ATOM 51 CB TYR A 7 9.061 1.065 8.369 1.00 15.35 C +ATOM 52 CG TYR A 7 7.665 0.929 8.902 1.00 14.45 C +ATOM 53 CD1 TYR A 7 6.771 0.021 8.327 1.00 15.68 C +ATOM 54 CD2 TYR A 7 7.210 1.756 9.920 1.00 14.80 C +ATOM 55 CE1 TYR A 7 5.480 -0.094 8.796 1.00 13.46 C +ATOM 56 CE2 TYR A 7 5.904 1.649 10.416 1.00 14.33 C +ATOM 57 CZ TYR A 7 5.047 0.729 9.831 1.00 15.09 C +ATOM 58 OH TYR A 7 3.766 0.589 10.291 1.00 14.39 O +ATOM 59 OXT TYR A 7 11.358 2.999 7.612 1.00 17.49 O +TER 60 TYR A 7 +HETATM 61 O HOH A 8 -6.471 5.227 7.124 1.00 22.62 O +HETATM 62 O HOH A 9 10.431 1.858 3.216 1.00 19.71 O +HETATM 63 O HOH A 10 -11.286 1.756 -1.468 1.00 17.08 O +HETATM 64 O HOH A 11 11.808 4.179 9.970 1.00 23.99 O +HETATM 65 O HOH A 12 13.605 1.327 9.198 1.00 26.17 O +HETATM 66 O HOH A 13 -2.749 3.429 10.024 1.00 39.15 O +HETATM 67 O HOH A 14 -1.500 0.682 10.967 1.00 43.49 O +MASTER 234 0 0 0 0 0 0 6 66 1 0 1 +END diff --git a/tracking/data/1mru.omap b/tracking/data/1mru.omap new file mode 100644 index 000000000..08b6a9098 Binary files /dev/null and b/tracking/data/1mru.omap differ diff --git a/tracking/data/1mru.pdb b/tracking/data/1mru.pdb new file mode 100644 index 000000000..3a56c566f --- /dev/null +++ b/tracking/data/1mru.pdb @@ -0,0 +1,4908 @@ +HEADER TRANSFERASE 18-SEP-02 1MRU +TITLE INTRACELLULAR SER/THR PROTEIN KINASE DOMAIN OF +TITLE 2 MYCOBACTERIUM TUBERCULOSIS PKNB. +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PROBABLE SERINE/THREONINE-PROTEIN KINASE PKNB; +COMPND 3 CHAIN: A, B; +COMPND 4 FRAGMENT: CATALYTIC DOMAIN; +COMPND 5 SYNONYM: REGULATORY PROKARYOTIC PROTEIN; +COMPND 6 EC: 2.7.1.-; +COMPND 7 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; +SOURCE 3 ORGANISM_TAXID: 1773; +SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 6 EXPRESSION_SYSTEM_CELL_LINE: BL21 (DE3); +SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET28B +KEYWDS REGULATORY, ATP-RECOGNITION, MOLECULAR EVOLUTION, +KEYWDS 2 STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, TB +KEYWDS 3 STRUCTURAL GENOMICS CONSORTIUM, TBSGC, TRANSFERASE +EXPDTA X-RAY DIFFRACTION +AUTHOR T.A.YOUNG,B.DELAGOUTTE,J.A.ENDRIZZI,T.ALBER,TB STRUCTURAL +AUTHOR 2 GENOMICS CONSORTIUM (TBSGC) +REVDAT 4 24-FEB-09 1MRU 1 VERSN +REVDAT 3 01-MAR-05 1MRU 1 JRNL +REVDAT 2 01-FEB-05 1MRU 1 AUTHOR KEYWDS REMARK +REVDAT 1 11-FEB-03 1MRU 0 +JRNL AUTH T.A.YOUNG,B.DELAGOUTTE,J.A.ENDRIZZI,A.M.FALICK, +JRNL AUTH 2 T.ALBER +JRNL TITL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PKNB +JRNL TITL 2 SUPPORTS A UNIVERSAL ACTIVATION MECHANISM FOR +JRNL TITL 3 SER/THR PROTEIN KINASES. +JRNL REF NAT.STRUCT.BIOL. V. 10 168 2003 +JRNL REFN ISSN 1072-8368 +JRNL PMID 12548283 +JRNL DOI 10.1038/NSB897 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. 3.00 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS 1.0 +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, +REMARK 3 : READ,RICE,SIMONSON,WARREN +REMARK 3 +REMARK 3 REFINEMENT TARGET : ENGH & HUBER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.00 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.68 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.2 +REMARK 3 NUMBER OF REFLECTIONS : 13890 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.232 +REMARK 3 FREE R VALUE : 0.297 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 +REMARK 3 FREE R VALUE TEST SET COUNT : 677 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.011 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 6 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 3.00 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.19 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.40 +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2106 +REMARK 3 BIN R VALUE (WORKING SET) : 0.3570 +REMARK 3 BIN FREE R VALUE : 0.4440 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.90 +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 109 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.043 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 4151 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 66 +REMARK 3 SOLVENT ATOMS : 0 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 54.80 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 2.53000 +REMARK 3 B22 (A**2) : 16.67000 +REMARK 3 B33 (A**2) : -19.19000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : -9.42000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.52 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.67 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.010 +REMARK 3 BOND ANGLES (DEGREES) : 1.60 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.00 +REMARK 3 IMPROPER ANGLES (DEGREES) : 1.09 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 1.160 ; 1.500 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.050 ; 2.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 1.450 ; 2.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.290 ; 2.500 +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED : FLAT MODEL +REMARK 3 KSOL : 0.30 +REMARK 3 BSOL : 25.43 +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM +REMARK 3 PARAMETER FILE 2 : ION.PARAM +REMARK 3 PARAMETER FILE 3 : AGS_XPLOR_PAR.TXT +REMARK 3 PARAMETER FILE 4 : NULL +REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP +REMARK 3 TOPOLOGY FILE 2 : ION.TOP +REMARK 3 TOPOLOGY FILE 3 : AGS_XPLOR_TOP.TXT +REMARK 3 TOPOLOGY FILE 4 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1MRU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-SEP-02. +REMARK 100 THE RCSB ID CODE IS RCSB017134. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 22-JUN-02 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 8.0 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ALS +REMARK 200 BEAMLINE : 8.3.1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.1000, 0.9798 +REMARK 200 MONOCHROMATOR : SI 111 +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : ELVES +REMARK 200 DATA SCALING SOFTWARE : ELVES +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13890 +REMARK 200 RESOLUTION RANGE HIGH (A) : 3.000 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 14.300 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.00 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.10 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.0 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: MAD +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD +REMARK 200 SOFTWARE USED: ELVES +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 52.82 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.61 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, SODIUM ACETATE, TRIS-HCL, +REMARK 280 SPERMINE, MAGNESIUM CHLORIDE, PH 8.0, VAPOR DIFFUSION, HANGING +REMARK 280 DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 25.08500 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A -2 +REMARK 465 SER A -1 +REMARK 465 HIS A 0 +REMARK 465 MET A 1 +REMARK 465 THR A 2 +REMARK 465 ALA A 164 +REMARK 465 ASP A 165 +REMARK 465 SER A 166 +REMARK 465 GLY A 167 +REMARK 465 ASN A 168 +REMARK 465 SER A 169 +REMARK 465 VAL A 170 +REMARK 465 THR A 171 +REMARK 465 GLN A 172 +REMARK 465 THR A 173 +REMARK 465 ALA A 174 +REMARK 465 ALA A 175 +REMARK 465 VAL A 176 +REMARK 465 ILE A 177 +REMARK 465 GLY A 178 +REMARK 465 VAL A 287 +REMARK 465 LEU A 288 +REMARK 465 THR A 289 +REMARK 465 ASP A 290 +REMARK 465 ALA A 291 +REMARK 465 GLU A 292 +REMARK 465 ARG A 293 +REMARK 465 THR A 294 +REMARK 465 SER A 295 +REMARK 465 LEU A 296 +REMARK 465 LEU A 297 +REMARK 465 SER A 298 +REMARK 465 SER A 299 +REMARK 465 ALA A 300 +REMARK 465 ALA A 301 +REMARK 465 GLY A 302 +REMARK 465 ASN A 303 +REMARK 465 LEU A 304 +REMARK 465 SER A 305 +REMARK 465 GLY A 306 +REMARK 465 PRO A 307 +REMARK 465 ARG A 308 +REMARK 465 GLY B -2 +REMARK 465 SER B -1 +REMARK 465 HIS B 0 +REMARK 465 ALA B 164 +REMARK 465 ASP B 165 +REMARK 465 SER B 166 +REMARK 465 GLY B 167 +REMARK 465 ASN B 168 +REMARK 465 SER B 169 +REMARK 465 VAL B 170 +REMARK 465 THR B 171 +REMARK 465 GLN B 172 +REMARK 465 THR B 173 +REMARK 465 ALA B 174 +REMARK 465 ALA B 175 +REMARK 465 VAL B 176 +REMARK 465 ILE B 177 +REMARK 465 GLY B 178 +REMARK 465 VAL B 287 +REMARK 465 LEU B 288 +REMARK 465 THR B 289 +REMARK 465 ASP B 290 +REMARK 465 ALA B 291 +REMARK 465 GLU B 292 +REMARK 465 ARG B 293 +REMARK 465 THR B 294 +REMARK 465 SER B 295 +REMARK 465 LEU B 296 +REMARK 465 LEU B 297 +REMARK 465 SER B 298 +REMARK 465 SER B 299 +REMARK 465 ALA B 300 +REMARK 465 ALA B 301 +REMARK 465 GLY B 302 +REMARK 465 ASN B 303 +REMARK 465 LEU B 304 +REMARK 465 SER B 305 +REMARK 465 GLY B 306 +REMARK 465 PRO B 307 +REMARK 465 ARG B 308 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 MET A 155 N - CA - C ANGL. DEV. = 16.4 DEGREES +REMARK 500 MET B 155 N - CA - C ANGL. DEV. = 17.2 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 PRO A 4 105.52 -51.43 +REMARK 500 SER A 5 51.79 -61.94 +REMARK 500 HIS A 6 65.94 174.51 +REMARK 500 SER A 8 20.36 48.04 +REMARK 500 GLU A 15 178.81 -54.07 +REMARK 500 MET A 22 -47.03 -141.45 +REMARK 500 ARG A 43 98.19 -23.02 +REMARK 500 ALA A 44 79.25 -14.16 +REMARK 500 ASP A 45 -19.94 56.64 +REMARK 500 ALA A 47 48.17 -158.82 +REMARK 500 PRO A 50 -173.88 -64.17 +REMARK 500 SER A 51 14.15 -68.26 +REMARK 500 THR A 77 -163.18 -127.74 +REMARK 500 PRO A 83 -61.92 -8.19 +REMARK 500 VAL A 118 -73.07 -50.26 +REMARK 500 SER A 147 156.64 -49.51 +REMARK 500 ASP A 191 -164.20 -46.40 +REMARK 500 ASP A 194 -159.74 -133.52 +REMARK 500 VAL A 229 58.50 -111.61 +REMARK 500 ARG A 230 -12.23 177.07 +REMARK 500 ILE A 234 123.90 -39.48 +REMARK 500 GLU A 241 -118.18 -49.10 +REMARK 500 ALA A 245 3.83 -56.53 +REMARK 500 ASN A 278 -104.85 -65.25 +REMARK 500 GLU A 283 32.18 -80.10 +REMARK 500 PRO A 285 -153.55 -75.78 +REMARK 500 PRO B 4 178.63 -45.45 +REMARK 500 ASP B 9 12.78 55.40 +REMARK 500 ARG B 43 100.07 -31.93 +REMARK 500 ALA B 44 87.95 -21.02 +REMARK 500 ASP B 45 39.50 31.91 +REMARK 500 ARG B 48 -1.02 -47.59 +REMARK 500 PRO B 50 -117.45 -66.08 +REMARK 500 GLU B 107 13.66 48.83 +REMARK 500 PRO B 109 -163.17 -69.94 +REMARK 500 ASP B 138 40.58 -145.01 +REMARK 500 THR B 149 13.13 -67.57 +REMARK 500 MET B 155 16.08 -148.24 +REMARK 500 GLU B 186 -80.27 -47.50 +REMARK 500 GLN B 187 -32.52 -36.71 +REMARK 500 SER B 192 121.42 -30.47 +REMARK 500 ILE B 234 108.71 -52.03 +REMARK 500 PRO B 236 -179.99 -53.48 +REMARK 500 ALA B 238 -91.27 -77.54 +REMARK 500 SER B 244 117.66 -31.67 +REMARK 500 HIS B 277 -78.42 -62.27 +REMARK 500 ASN B 278 -78.43 -48.14 +REMARK 500 GLU B 280 148.62 -23.66 +REMARK 500 PRO B 285 173.48 -45.79 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 MG A 341 MG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP A 156 OD2 +REMARK 620 2 AGS A 340 O2B 69.2 +REMARK 620 3 ASP A 156 OD1 46.4 90.8 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 MG B 441 MG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP B 156 OD2 +REMARK 620 2 AGS B 440 O3G 66.8 +REMARK 620 3 AGS B 440 O2B 62.5 61.2 +REMARK 620 4 ASP B 156 OD1 46.7 102.3 55.9 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 MG B 442 MG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 AGS B 440 O2G +REMARK 620 2 AGS B 440 O2A 70.3 +REMARK 620 3 ASN B 143 OD1 74.4 64.2 +REMARK 620 N 1 2 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 341 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 342 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG B 441 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG B 442 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AGS A 340 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AGS B 440 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: RV0014C RELATED DB: TARGETDB +DBREF 1MRU A 1 308 UNP P0A5S4 PKNB_MYCTU 1 308 +DBREF 1MRU B 1 308 UNP P0A5S4 PKNB_MYCTU 1 308 +SEQADV 1MRU GLY A -2 UNP P0A5S4 CLONING ARTIFACT +SEQADV 1MRU SER A -1 UNP P0A5S4 CLONING ARTIFACT +SEQADV 1MRU HIS A 0 UNP P0A5S4 CLONING ARTIFACT +SEQADV 1MRU GLY B -2 UNP P0A5S4 CLONING ARTIFACT +SEQADV 1MRU SER B -1 UNP P0A5S4 CLONING ARTIFACT +SEQADV 1MRU HIS B 0 UNP P0A5S4 CLONING ARTIFACT +SEQRES 1 A 311 GLY SER HIS MET THR THR PRO SER HIS LEU SER ASP ARG +SEQRES 2 A 311 TYR GLU LEU GLY GLU ILE LEU GLY PHE GLY GLY MET SER +SEQRES 3 A 311 GLU VAL HIS LEU ALA ARG ASP LEU ARG LEU HIS ARG ASP +SEQRES 4 A 311 VAL ALA VAL LYS VAL LEU ARG ALA ASP LEU ALA ARG ASP +SEQRES 5 A 311 PRO SER PHE TYR LEU ARG PHE ARG ARG GLU ALA GLN ASN +SEQRES 6 A 311 ALA ALA ALA LEU ASN HIS PRO ALA ILE VAL ALA VAL TYR +SEQRES 7 A 311 ASP THR GLY GLU ALA GLU THR PRO ALA GLY PRO LEU PRO +SEQRES 8 A 311 TYR ILE VAL MET GLU TYR VAL ASP GLY VAL THR LEU ARG +SEQRES 9 A 311 ASP ILE VAL HIS THR GLU GLY PRO MET THR PRO LYS ARG +SEQRES 10 A 311 ALA ILE GLU VAL ILE ALA ASP ALA CYS GLN ALA LEU ASN +SEQRES 11 A 311 PHE SER HIS GLN ASN GLY ILE ILE HIS ARG ASP VAL LYS +SEQRES 12 A 311 PRO ALA ASN ILE MET ILE SER ALA THR ASN ALA VAL LYS +SEQRES 13 A 311 VAL MET ASP PHE GLY ILE ALA ARG ALA ILE ALA ASP SER +SEQRES 14 A 311 GLY ASN SER VAL THR GLN THR ALA ALA VAL ILE GLY THR +SEQRES 15 A 311 ALA GLN TYR LEU SER PRO GLU GLN ALA ARG GLY ASP SER +SEQRES 16 A 311 VAL ASP ALA ARG SER ASP VAL TYR SER LEU GLY CYS VAL +SEQRES 17 A 311 LEU TYR GLU VAL LEU THR GLY GLU PRO PRO PHE THR GLY +SEQRES 18 A 311 ASP SER PRO VAL SER VAL ALA TYR GLN HIS VAL ARG GLU +SEQRES 19 A 311 ASP PRO ILE PRO PRO SER ALA ARG HIS GLU GLY LEU SER +SEQRES 20 A 311 ALA ASP LEU ASP ALA VAL VAL LEU LYS ALA LEU ALA LYS +SEQRES 21 A 311 ASN PRO GLU ASN ARG TYR GLN THR ALA ALA GLU MET ARG +SEQRES 22 A 311 ALA ASP LEU VAL ARG VAL HIS ASN GLY GLU PRO PRO GLU +SEQRES 23 A 311 ALA PRO LYS VAL LEU THR ASP ALA GLU ARG THR SER LEU +SEQRES 24 A 311 LEU SER SER ALA ALA GLY ASN LEU SER GLY PRO ARG +SEQRES 1 B 311 GLY SER HIS MET THR THR PRO SER HIS LEU SER ASP ARG +SEQRES 2 B 311 TYR GLU LEU GLY GLU ILE LEU GLY PHE GLY GLY MET SER +SEQRES 3 B 311 GLU VAL HIS LEU ALA ARG ASP LEU ARG LEU HIS ARG ASP +SEQRES 4 B 311 VAL ALA VAL LYS VAL LEU ARG ALA ASP LEU ALA ARG ASP +SEQRES 5 B 311 PRO SER PHE TYR LEU ARG PHE ARG ARG GLU ALA GLN ASN +SEQRES 6 B 311 ALA ALA ALA LEU ASN HIS PRO ALA ILE VAL ALA VAL TYR +SEQRES 7 B 311 ASP THR GLY GLU ALA GLU THR PRO ALA GLY PRO LEU PRO +SEQRES 8 B 311 TYR ILE VAL MET GLU TYR VAL ASP GLY VAL THR LEU ARG +SEQRES 9 B 311 ASP ILE VAL HIS THR GLU GLY PRO MET THR PRO LYS ARG +SEQRES 10 B 311 ALA ILE GLU VAL ILE ALA ASP ALA CYS GLN ALA LEU ASN +SEQRES 11 B 311 PHE SER HIS GLN ASN GLY ILE ILE HIS ARG ASP VAL LYS +SEQRES 12 B 311 PRO ALA ASN ILE MET ILE SER ALA THR ASN ALA VAL LYS +SEQRES 13 B 311 VAL MET ASP PHE GLY ILE ALA ARG ALA ILE ALA ASP SER +SEQRES 14 B 311 GLY ASN SER VAL THR GLN THR ALA ALA VAL ILE GLY THR +SEQRES 15 B 311 ALA GLN TYR LEU SER PRO GLU GLN ALA ARG GLY ASP SER +SEQRES 16 B 311 VAL ASP ALA ARG SER ASP VAL TYR SER LEU GLY CYS VAL +SEQRES 17 B 311 LEU TYR GLU VAL LEU THR GLY GLU PRO PRO PHE THR GLY +SEQRES 18 B 311 ASP SER PRO VAL SER VAL ALA TYR GLN HIS VAL ARG GLU +SEQRES 19 B 311 ASP PRO ILE PRO PRO SER ALA ARG HIS GLU GLY LEU SER +SEQRES 20 B 311 ALA ASP LEU ASP ALA VAL VAL LEU LYS ALA LEU ALA LYS +SEQRES 21 B 311 ASN PRO GLU ASN ARG TYR GLN THR ALA ALA GLU MET ARG +SEQRES 22 B 311 ALA ASP LEU VAL ARG VAL HIS ASN GLY GLU PRO PRO GLU +SEQRES 23 B 311 ALA PRO LYS VAL LEU THR ASP ALA GLU ARG THR SER LEU +SEQRES 24 B 311 LEU SER SER ALA ALA GLY ASN LEU SER GLY PRO ARG +HET MG A 341 1 +HET MG A 342 1 +HET MG B 441 1 +HET MG B 442 1 +HET AGS A 340 31 +HET AGS B 440 31 +HETNAM MG MAGNESIUM ION +HETNAM AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER +HETSYN AGS ATP GAMMA-S +FORMUL 3 MG 4(MG 2+) +FORMUL 7 AGS 2(C10 H16 N5 O12 P3 S) +HELIX 1 1 HIS A 6 ASP A 9 5 4 +HELIX 2 2 SER A 51 ALA A 65 1 15 +HELIX 3 3 LEU A 100 GLU A 107 1 8 +HELIX 4 4 THR A 111 ASN A 132 1 22 +HELIX 5 5 SER A 184 ARG A 189 1 6 +HELIX 6 6 ASP A 194 GLY A 212 1 19 +HELIX 7 7 SER A 220 VAL A 229 1 10 +HELIX 8 8 PRO A 235 HIS A 240 1 6 +HELIX 9 9 SER A 244 LEU A 255 1 12 +HELIX 10 10 ASN A 258 ARG A 262 5 5 +HELIX 11 11 THR A 265 ASN A 278 1 14 +HELIX 12 12 SER B 51 ALA B 65 1 15 +HELIX 13 13 LEU B 100 THR B 106 1 7 +HELIX 14 14 THR B 111 ASN B 132 1 22 +HELIX 15 15 LYS B 140 ALA B 142 5 3 +HELIX 16 16 SER B 184 GLY B 190 1 7 +HELIX 17 17 ASP B 194 THR B 211 1 18 +HELIX 18 18 SER B 220 GLU B 231 1 12 +HELIX 19 19 SER B 244 LEU B 255 1 12 +HELIX 20 20 ASN B 258 ARG B 262 5 5 +HELIX 21 21 THR B 265 GLY B 279 1 15 +SHEET 1 A 5 TYR A 11 PHE A 19 0 +SHEET 2 A 5 SER A 23 ASP A 30 -1 O VAL A 25 N GLY A 18 +SHEET 3 A 5 ARG A 35 LEU A 42 -1 O VAL A 37 N ALA A 28 +SHEET 4 A 5 GLY A 85 GLU A 93 -1 O MET A 92 N ALA A 38 +SHEET 5 A 5 VAL A 74 THR A 82 -1 N THR A 82 O GLY A 85 +SHEET 1 B 3 GLY A 97 THR A 99 0 +SHEET 2 B 3 ILE A 144 SER A 147 -1 O ILE A 146 N VAL A 98 +SHEET 3 B 3 VAL A 152 VAL A 154 -1 O LYS A 153 N MET A 145 +SHEET 1 C 2 ILE A 134 ILE A 135 0 +SHEET 2 C 2 ARG A 161 ALA A 162 -1 N ARG A 161 O ILE A 135 +SHEET 1 D 6 HIS B 6 LEU B 7 0 +SHEET 2 D 6 TYR B 11 PHE B 19 -1 O TYR B 11 N LEU B 7 +SHEET 3 D 6 SER B 23 ASP B 30 -1 O VAL B 25 N GLY B 18 +SHEET 4 D 6 ARG B 35 LEU B 42 -1 O VAL B 41 N GLU B 24 +SHEET 5 D 6 PRO B 86 MET B 92 -1 O MET B 92 N ALA B 38 +SHEET 6 D 6 VAL B 74 GLU B 81 -1 N ALA B 80 O LEU B 87 +SHEET 1 E 3 GLY B 97 THR B 99 0 +SHEET 2 E 3 ILE B 144 SER B 147 -1 O ILE B 146 N VAL B 98 +SHEET 3 E 3 VAL B 152 VAL B 154 -1 O LYS B 153 N MET B 145 +LINK MG MG A 341 OD2 ASP A 156 1555 1555 2.84 +LINK MG MG A 341 O2B AGS A 340 1555 1555 2.53 +LINK MG MG A 341 OD1 ASP A 156 1555 1555 2.77 +LINK MG MG A 342 O2A AGS A 340 1555 1555 3.00 +LINK MG MG B 441 OD2 ASP B 156 1555 1555 2.47 +LINK MG MG B 441 O3G AGS B 440 1555 1555 2.44 +LINK MG MG B 441 O2B AGS B 440 1555 1555 2.92 +LINK MG MG B 441 OD1 ASP B 156 1555 1555 2.95 +LINK MG MG B 442 O2G AGS B 440 1555 1555 2.81 +LINK MG MG B 442 O2A AGS B 440 1555 1555 2.68 +LINK MG MG B 442 OD1 ASN B 143 1555 1555 3.13 +SITE 1 AC1 2 ASP A 156 AGS A 340 +SITE 1 AC2 1 AGS A 340 +SITE 1 AC3 3 ASP B 156 GLY B 158 AGS B 440 +SITE 1 AC4 3 ALA B 142 ASN B 143 AGS B 440 +SITE 1 AC5 14 LEU A 17 SER A 23 VAL A 25 ALA A 38 +SITE 2 AC5 14 LYS A 40 GLU A 93 VAL A 95 THR A 99 +SITE 3 AC5 14 ASN A 143 MET A 145 MET A 155 ASP A 156 +SITE 4 AC5 14 MG A 341 MG A 342 +SITE 1 AC6 16 LEU B 17 GLY B 20 GLY B 21 SER B 23 +SITE 2 AC6 16 VAL B 25 ALA B 38 LYS B 40 GLU B 93 +SITE 3 AC6 16 VAL B 95 LYS B 140 ALA B 142 ASN B 143 +SITE 4 AC6 16 MET B 155 ASP B 156 MG B 441 MG B 442 +CRYST1 63.100 50.170 111.070 90.00 96.19 90.00 P 1 21 1 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.015848 0.000000 0.001719 0.00000 +SCALE2 0.000000 0.019932 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009056 0.00000 +ATOM 1 N THR A 3 -13.361 29.619 20.003 1.00 65.83 N +ATOM 2 CA THR A 3 -11.961 29.872 20.466 1.00 66.28 C +ATOM 3 C THR A 3 -11.893 31.008 21.516 1.00 65.52 C +ATOM 4 O THR A 3 -11.579 32.171 21.200 1.00 63.68 O +ATOM 5 CB THR A 3 -11.010 30.160 19.245 1.00 66.29 C +ATOM 6 OG1 THR A 3 -11.774 30.611 18.112 1.00 64.78 O +ATOM 7 CG2 THR A 3 -10.245 28.891 18.867 1.00 65.49 C +ATOM 8 N PRO A 4 -12.167 30.655 22.795 1.00 65.08 N +ATOM 9 CA PRO A 4 -12.181 31.537 23.975 1.00 65.87 C +ATOM 10 C PRO A 4 -10.914 32.347 24.098 1.00 65.84 C +ATOM 11 O PRO A 4 -9.891 31.803 24.478 1.00 66.31 O +ATOM 12 CB PRO A 4 -12.309 30.563 25.156 1.00 65.25 C +ATOM 13 CG PRO A 4 -12.934 29.357 24.563 1.00 65.25 C +ATOM 14 CD PRO A 4 -12.273 29.243 23.210 1.00 64.17 C +ATOM 15 N SER A 5 -10.966 33.634 23.791 1.00 66.61 N +ATOM 16 CA SER A 5 -9.762 34.446 23.916 1.00 69.38 C +ATOM 17 C SER A 5 -9.279 34.481 25.369 1.00 69.97 C +ATOM 18 O SER A 5 -9.045 35.556 25.929 1.00 70.29 O +ATOM 19 CB SER A 5 -10.003 35.877 23.411 1.00 70.50 C +ATOM 20 OG SER A 5 -10.025 35.931 21.987 1.00 71.75 O +ATOM 21 N HIS A 6 -9.135 33.289 25.952 1.00 70.45 N +ATOM 22 CA HIS A 6 -8.682 33.078 27.327 1.00 70.53 C +ATOM 23 C HIS A 6 -8.760 31.589 27.720 1.00 69.21 C +ATOM 24 O HIS A 6 -9.548 31.215 28.599 1.00 69.16 O +ATOM 25 CB HIS A 6 -9.517 33.902 28.320 1.00 72.23 C +ATOM 26 CG HIS A 6 -8.915 35.228 28.671 1.00 74.17 C +ATOM 27 ND1 HIS A 6 -7.634 35.357 29.166 1.00 74.77 N +ATOM 28 CD2 HIS A 6 -9.430 36.483 28.633 1.00 75.69 C +ATOM 29 CE1 HIS A 6 -7.386 36.632 29.421 1.00 75.39 C +ATOM 30 NE2 HIS A 6 -8.459 37.338 29.107 1.00 75.96 N +ATOM 31 N LEU A 7 -7.939 30.759 27.067 1.00 67.77 N +ATOM 32 CA LEU A 7 -7.858 29.314 27.330 1.00 65.58 C +ATOM 33 C LEU A 7 -7.532 28.977 28.789 1.00 64.30 C +ATOM 34 O LEU A 7 -6.596 29.536 29.367 1.00 62.98 O +ATOM 35 CB LEU A 7 -6.791 28.687 26.444 1.00 65.55 C +ATOM 36 CG LEU A 7 -7.184 28.365 25.010 1.00 65.98 C +ATOM 37 CD1 LEU A 7 -5.930 28.125 24.179 1.00 66.36 C +ATOM 38 CD2 LEU A 7 -8.089 27.135 25.009 1.00 66.24 C +ATOM 39 N SER A 8 -8.301 28.044 29.357 1.00 63.05 N +ATOM 40 CA SER A 8 -8.160 27.601 30.744 1.00 61.42 C +ATOM 41 C SER A 8 -8.065 28.774 31.697 1.00 61.43 C +ATOM 42 O SER A 8 -7.579 28.649 32.819 1.00 61.35 O +ATOM 43 CB SER A 8 -6.948 26.685 30.911 1.00 60.83 C +ATOM 44 OG SER A 8 -7.227 25.398 30.386 1.00 61.04 O +ATOM 45 N ASP A 9 -8.533 29.926 31.231 1.00 62.18 N +ATOM 46 CA ASP A 9 -8.542 31.129 32.043 1.00 61.89 C +ATOM 47 C ASP A 9 -7.140 31.612 32.403 1.00 59.89 C +ATOM 48 O ASP A 9 -6.979 32.452 33.281 1.00 59.56 O +ATOM 49 CB ASP A 9 -9.350 30.853 33.314 1.00 64.46 C +ATOM 50 CG ASP A 9 -9.887 32.114 33.943 1.00 67.58 C +ATOM 51 OD1 ASP A 9 -9.831 33.176 33.271 1.00 67.98 O +ATOM 52 OD2 ASP A 9 -10.374 32.035 35.102 1.00 69.44 O +ATOM 53 N ARG A 10 -6.129 31.097 31.710 1.00 58.28 N +ATOM 54 CA ARG A 10 -4.746 31.482 31.983 1.00 55.69 C +ATOM 55 C ARG A 10 -3.960 32.009 30.776 1.00 54.75 C +ATOM 56 O ARG A 10 -3.220 32.988 30.903 1.00 53.79 O +ATOM 57 CB ARG A 10 -4.000 30.301 32.591 1.00 54.33 C +ATOM 58 CG ARG A 10 -2.553 30.578 32.844 1.00 52.20 C +ATOM 59 CD ARG A 10 -1.840 29.346 33.308 1.00 50.17 C +ATOM 60 NE ARG A 10 -0.402 29.560 33.299 1.00 49.80 N +ATOM 61 CZ ARG A 10 0.478 28.624 33.611 1.00 48.69 C +ATOM 62 NH1 ARG A 10 0.046 27.426 33.950 1.00 48.51 N +ATOM 63 NH2 ARG A 10 1.775 28.883 33.586 1.00 47.52 N +ATOM 64 N TYR A 11 -4.121 31.368 29.618 1.00 53.46 N +ATOM 65 CA TYR A 11 -3.415 31.770 28.396 1.00 52.89 C +ATOM 66 C TYR A 11 -4.207 32.727 27.507 1.00 52.48 C +ATOM 67 O TYR A 11 -4.961 32.300 26.631 1.00 52.33 O +ATOM 68 CB TYR A 11 -3.033 30.527 27.588 1.00 52.79 C +ATOM 69 CG TYR A 11 -2.081 29.620 28.326 1.00 53.36 C +ATOM 70 CD1 TYR A 11 -0.742 29.968 28.478 1.00 53.88 C +ATOM 71 CD2 TYR A 11 -2.531 28.456 28.943 1.00 52.94 C +ATOM 72 CE1 TYR A 11 0.115 29.185 29.227 1.00 53.69 C +ATOM 73 CE2 TYR A 11 -1.677 27.668 29.700 1.00 52.29 C +ATOM 74 CZ TYR A 11 -0.360 28.041 29.836 1.00 52.87 C +ATOM 75 OH TYR A 11 0.493 27.285 30.591 1.00 54.22 O +ATOM 76 N GLU A 12 -4.017 34.024 27.718 1.00 51.76 N +ATOM 77 CA GLU A 12 -4.729 35.032 26.939 1.00 51.32 C +ATOM 78 C GLU A 12 -4.329 35.042 25.474 1.00 50.19 C +ATOM 79 O GLU A 12 -3.197 35.371 25.135 1.00 49.53 O +ATOM 80 CB GLU A 12 -4.494 36.419 27.535 1.00 52.39 C +ATOM 81 CG GLU A 12 -5.322 37.527 26.917 1.00 54.28 C +ATOM 82 CD GLU A 12 -5.195 38.846 27.682 1.00 57.15 C +ATOM 83 OE1 GLU A 12 -4.092 39.445 27.672 1.00 56.63 O +ATOM 84 OE2 GLU A 12 -6.200 39.278 28.300 1.00 58.17 O +ATOM 85 N LEU A 13 -5.272 34.684 24.608 1.00 49.74 N +ATOM 86 CA LEU A 13 -5.032 34.666 23.172 1.00 49.11 C +ATOM 87 C LEU A 13 -4.970 36.092 22.607 1.00 48.80 C +ATOM 88 O LEU A 13 -5.626 37.000 23.106 1.00 47.87 O +ATOM 89 CB LEU A 13 -6.128 33.853 22.465 1.00 48.52 C +ATOM 90 CG LEU A 13 -6.203 32.358 22.814 1.00 48.59 C +ATOM 91 CD1 LEU A 13 -7.324 31.709 22.075 1.00 47.93 C +ATOM 92 CD2 LEU A 13 -4.916 31.664 22.443 1.00 50.48 C +ATOM 93 N GLY A 14 -4.151 36.273 21.575 1.00 49.58 N +ATOM 94 CA GLY A 14 -4.002 37.568 20.933 1.00 48.64 C +ATOM 95 C GLY A 14 -4.012 37.382 19.425 1.00 48.86 C +ATOM 96 O GLY A 14 -4.938 36.781 18.877 1.00 49.57 O +ATOM 97 N GLU A 15 -2.984 37.876 18.747 1.00 48.77 N +ATOM 98 CA GLU A 15 -2.914 37.744 17.299 1.00 49.41 C +ATOM 99 C GLU A 15 -3.053 36.311 16.839 1.00 47.93 C +ATOM 100 O GLU A 15 -3.198 35.399 17.631 1.00 48.08 O +ATOM 101 CB GLU A 15 -1.603 38.314 16.764 1.00 51.37 C +ATOM 102 CG GLU A 15 -1.644 39.805 16.485 1.00 58.89 C +ATOM 103 CD GLU A 15 -1.445 40.147 14.998 1.00 65.17 C +ATOM 104 OE1 GLU A 15 -0.433 39.651 14.412 1.00 68.42 O +ATOM 105 OE2 GLU A 15 -2.285 40.915 14.427 1.00 65.70 O +ATOM 106 N ILE A 16 -3.022 36.130 15.533 1.00 47.45 N +ATOM 107 CA ILE A 16 -3.125 34.818 14.938 1.00 46.62 C +ATOM 108 C ILE A 16 -1.878 34.676 14.109 1.00 46.16 C +ATOM 109 O ILE A 16 -1.683 35.427 13.157 1.00 47.30 O +ATOM 110 CB ILE A 16 -4.358 34.725 14.040 1.00 47.02 C +ATOM 111 CG1 ILE A 16 -5.599 34.923 14.898 1.00 49.11 C +ATOM 112 CG2 ILE A 16 -4.408 33.389 13.333 1.00 45.89 C +ATOM 113 CD1 ILE A 16 -5.599 34.073 16.145 1.00 47.58 C +ATOM 114 N LEU A 17 -1.023 33.731 14.483 1.00 45.18 N +ATOM 115 CA LEU A 17 0.223 33.528 13.767 1.00 43.87 C +ATOM 116 C LEU A 17 0.012 32.634 12.577 1.00 42.60 C +ATOM 117 O LEU A 17 0.808 32.635 11.652 1.00 42.46 O +ATOM 118 CB LEU A 17 1.273 32.932 14.696 1.00 43.76 C +ATOM 119 CG LEU A 17 1.456 33.706 16.002 1.00 44.94 C +ATOM 120 CD1 LEU A 17 2.364 32.910 16.899 1.00 45.92 C +ATOM 121 CD2 LEU A 17 2.018 35.096 15.754 1.00 42.83 C +ATOM 122 N GLY A 18 -1.068 31.871 12.597 1.00 41.97 N +ATOM 123 CA GLY A 18 -1.340 30.997 11.476 1.00 43.74 C +ATOM 124 C GLY A 18 -2.433 29.985 11.723 1.00 43.84 C +ATOM 125 O GLY A 18 -2.644 29.572 12.851 1.00 43.59 O +ATOM 126 N PHE A 19 -3.135 29.602 10.662 1.00 45.14 N +ATOM 127 CA PHE A 19 -4.202 28.613 10.752 1.00 46.89 C +ATOM 128 C PHE A 19 -4.103 27.654 9.566 1.00 48.65 C +ATOM 129 O PHE A 19 -4.322 28.032 8.423 1.00 47.36 O +ATOM 130 CB PHE A 19 -5.559 29.304 10.776 1.00 46.34 C +ATOM 131 CG PHE A 19 -5.847 30.111 9.551 1.00 47.78 C +ATOM 132 CD1 PHE A 19 -6.650 29.598 8.540 1.00 47.78 C +ATOM 133 CD2 PHE A 19 -5.299 31.377 9.394 1.00 47.71 C +ATOM 134 CE1 PHE A 19 -6.900 30.333 7.393 1.00 46.67 C +ATOM 135 CE2 PHE A 19 -5.543 32.116 8.251 1.00 47.23 C +ATOM 136 CZ PHE A 19 -6.344 31.595 7.250 1.00 46.66 C +ATOM 137 N GLY A 20 -3.757 26.405 9.841 1.00 51.39 N +ATOM 138 CA GLY A 20 -3.615 25.451 8.761 1.00 54.66 C +ATOM 139 C GLY A 20 -4.878 24.712 8.381 1.00 55.92 C +ATOM 140 O GLY A 20 -5.956 25.289 8.238 1.00 53.23 O +ATOM 141 N GLY A 21 -4.708 23.411 8.193 1.00 58.59 N +ATOM 142 CA GLY A 21 -5.816 22.547 7.848 1.00 62.36 C +ATOM 143 C GLY A 21 -6.042 21.582 9.005 1.00 64.96 C +ATOM 144 O GLY A 21 -6.738 20.558 8.869 1.00 66.21 O +ATOM 145 N MET A 22 -5.443 21.909 10.152 1.00 65.64 N +ATOM 146 CA MET A 22 -5.567 21.083 11.352 1.00 65.85 C +ATOM 147 C MET A 22 -5.682 21.966 12.587 1.00 64.42 C +ATOM 148 O MET A 22 -6.545 21.744 13.435 1.00 64.10 O +ATOM 149 CB MET A 22 -4.359 20.137 11.505 1.00 67.94 C +ATOM 150 CG MET A 22 -4.383 19.297 12.792 1.00 69.06 C +ATOM 151 SD MET A 22 -3.006 18.113 12.972 1.00 72.02 S +ATOM 152 CE MET A 22 -3.836 16.719 13.977 1.00 68.65 C +ATOM 153 N SER A 23 -4.816 22.966 12.696 1.00 61.65 N +ATOM 154 CA SER A 23 -4.885 23.836 13.854 1.00 58.80 C +ATOM 155 C SER A 23 -4.742 25.300 13.524 1.00 57.17 C +ATOM 156 O SER A 23 -4.522 25.677 12.374 1.00 56.84 O +ATOM 157 CB SER A 23 -3.825 23.441 14.877 1.00 58.85 C +ATOM 158 OG SER A 23 -2.525 23.523 14.330 1.00 59.19 O +ATOM 159 N GLU A 24 -4.884 26.113 14.563 1.00 55.60 N +ATOM 160 CA GLU A 24 -4.767 27.560 14.477 1.00 53.90 C +ATOM 161 C GLU A 24 -3.829 27.956 15.616 1.00 52.64 C +ATOM 162 O GLU A 24 -4.137 27.755 16.790 1.00 53.70 O +ATOM 163 CB GLU A 24 -6.139 28.202 14.651 1.00 53.26 C +ATOM 164 CG GLU A 24 -7.237 27.161 14.730 1.00 56.85 C +ATOM 165 CD GLU A 24 -8.561 27.640 14.169 1.00 58.68 C +ATOM 166 OE1 GLU A 24 -9.045 28.701 14.634 1.00 59.67 O +ATOM 167 OE2 GLU A 24 -9.109 26.946 13.271 1.00 57.50 O +ATOM 168 N VAL A 25 -2.665 28.483 15.258 1.00 50.42 N +ATOM 169 CA VAL A 25 -1.678 28.895 16.238 1.00 47.67 C +ATOM 170 C VAL A 25 -1.899 30.359 16.566 1.00 46.65 C +ATOM 171 O VAL A 25 -2.010 31.196 15.674 1.00 46.15 O +ATOM 172 CB VAL A 25 -0.261 28.697 15.690 1.00 47.39 C +ATOM 173 CG1 VAL A 25 0.757 29.013 16.757 1.00 48.01 C +ATOM 174 CG2 VAL A 25 -0.103 27.271 15.182 1.00 45.83 C +ATOM 175 N HIS A 26 -1.979 30.656 17.855 1.00 45.56 N +ATOM 176 CA HIS A 26 -2.202 32.016 18.309 1.00 44.51 C +ATOM 177 C HIS A 26 -1.074 32.488 19.203 1.00 43.57 C +ATOM 178 O HIS A 26 -0.440 31.696 19.901 1.00 43.02 O +ATOM 179 CB HIS A 26 -3.507 32.121 19.109 1.00 45.01 C +ATOM 180 CG HIS A 26 -4.714 31.599 18.396 1.00 48.04 C +ATOM 181 ND1 HIS A 26 -5.882 32.323 18.286 1.00 50.72 N +ATOM 182 CD2 HIS A 26 -4.961 30.403 17.810 1.00 50.54 C +ATOM 183 CE1 HIS A 26 -6.796 31.596 17.665 1.00 51.89 C +ATOM 184 NE2 HIS A 26 -6.263 30.425 17.365 1.00 51.88 N +ATOM 185 N LEU A 27 -0.827 33.791 19.167 1.00 42.60 N +ATOM 186 CA LEU A 27 0.173 34.403 20.024 1.00 42.36 C +ATOM 187 C LEU A 27 -0.601 34.704 21.308 1.00 42.42 C +ATOM 188 O LEU A 27 -1.614 35.393 21.278 1.00 41.57 O +ATOM 189 CB LEU A 27 0.693 35.690 19.398 1.00 41.71 C +ATOM 190 CG LEU A 27 1.580 36.559 20.288 1.00 42.18 C +ATOM 191 CD1 LEU A 27 2.861 35.841 20.610 1.00 43.45 C +ATOM 192 CD2 LEU A 27 1.885 37.857 19.579 1.00 43.13 C +ATOM 193 N ALA A 28 -0.141 34.171 22.431 1.00 42.42 N +ATOM 194 CA ALA A 28 -0.840 34.372 23.689 1.00 41.99 C +ATOM 195 C ALA A 28 0.005 34.978 24.785 1.00 41.93 C +ATOM 196 O ALA A 28 1.196 35.223 24.629 1.00 40.93 O +ATOM 197 CB ALA A 28 -1.434 33.053 24.174 1.00 43.14 C +ATOM 198 N ARG A 29 -0.648 35.198 25.913 1.00 41.67 N +ATOM 199 CA ARG A 29 -0.026 35.794 27.073 1.00 41.93 C +ATOM 200 C ARG A 29 -0.211 34.885 28.283 1.00 43.32 C +ATOM 201 O ARG A 29 -1.345 34.599 28.672 1.00 44.98 O +ATOM 202 CB ARG A 29 -0.683 37.145 27.336 1.00 39.10 C +ATOM 203 CG ARG A 29 -0.272 37.819 28.607 1.00 40.70 C +ATOM 204 CD ARG A 29 1.169 38.270 28.540 1.00 41.92 C +ATOM 205 NE ARG A 29 1.549 39.024 29.729 1.00 42.50 N +ATOM 206 CZ ARG A 29 2.704 39.664 29.861 1.00 44.04 C +ATOM 207 NH1 ARG A 29 3.591 39.634 28.868 1.00 41.52 N +ATOM 208 NH2 ARG A 29 2.965 40.339 30.979 1.00 44.04 N +ATOM 209 N ASP A 30 0.890 34.415 28.866 1.00 43.56 N +ATOM 210 CA ASP A 30 0.790 33.576 30.052 1.00 43.69 C +ATOM 211 C ASP A 30 0.554 34.551 31.187 1.00 43.57 C +ATOM 212 O ASP A 30 1.457 35.295 31.566 1.00 43.19 O +ATOM 213 CB ASP A 30 2.085 32.838 30.306 1.00 45.00 C +ATOM 214 CG ASP A 30 1.922 31.727 31.309 1.00 45.15 C +ATOM 215 OD1 ASP A 30 1.149 31.891 32.281 1.00 40.40 O +ATOM 216 OD2 ASP A 30 2.590 30.691 31.111 1.00 47.87 O +ATOM 217 N LEU A 31 -0.655 34.542 31.734 1.00 43.87 N +ATOM 218 CA LEU A 31 -1.011 35.477 32.785 1.00 44.39 C +ATOM 219 C LEU A 31 -0.315 35.302 34.119 1.00 45.13 C +ATOM 220 O LEU A 31 -0.202 36.265 34.890 1.00 43.98 O +ATOM 221 CB LEU A 31 -2.514 35.469 32.964 1.00 43.57 C +ATOM 222 CG LEU A 31 -3.184 35.946 31.676 1.00 44.48 C +ATOM 223 CD1 LEU A 31 -4.692 35.899 31.835 1.00 44.60 C +ATOM 224 CD2 LEU A 31 -2.719 37.351 31.340 1.00 41.78 C +ATOM 225 N ARG A 32 0.163 34.083 34.376 1.00 46.21 N +ATOM 226 CA ARG A 32 0.872 33.767 35.615 1.00 45.72 C +ATOM 227 C ARG A 32 2.351 34.117 35.496 1.00 45.95 C +ATOM 228 O ARG A 32 2.934 34.716 36.400 1.00 46.78 O +ATOM 229 CB ARG A 32 0.761 32.283 35.933 1.00 46.07 C +ATOM 230 CG ARG A 32 -0.641 31.720 35.958 1.00 47.78 C +ATOM 231 CD ARG A 32 -0.567 30.226 36.215 1.00 48.99 C +ATOM 232 NE ARG A 32 -1.866 29.584 36.360 1.00 50.74 N +ATOM 233 CZ ARG A 32 -2.140 28.710 37.321 1.00 50.15 C +ATOM 234 NH1 ARG A 32 -1.201 28.400 38.199 1.00 50.25 N +ATOM 235 NH2 ARG A 32 -3.339 28.151 37.409 1.00 49.85 N +ATOM 236 N LEU A 33 2.960 33.752 34.376 1.00 44.85 N +ATOM 237 CA LEU A 33 4.370 34.020 34.192 1.00 45.21 C +ATOM 238 C LEU A 33 4.685 35.313 33.444 1.00 45.54 C +ATOM 239 O LEU A 33 5.838 35.599 33.143 1.00 45.47 O +ATOM 240 CB LEU A 33 5.016 32.816 33.506 1.00 45.85 C +ATOM 241 CG LEU A 33 4.822 31.534 34.329 1.00 46.61 C +ATOM 242 CD1 LEU A 33 5.345 30.311 33.598 1.00 45.50 C +ATOM 243 CD2 LEU A 33 5.532 31.710 35.661 1.00 45.90 C +ATOM 244 N HIS A 34 3.661 36.108 33.174 1.00 45.25 N +ATOM 245 CA HIS A 34 3.833 37.372 32.468 1.00 45.21 C +ATOM 246 C HIS A 34 4.771 37.297 31.273 1.00 44.13 C +ATOM 247 O HIS A 34 5.626 38.166 31.096 1.00 44.03 O +ATOM 248 CB HIS A 34 4.326 38.479 33.410 1.00 47.66 C +ATOM 249 CG HIS A 34 3.417 38.741 34.572 1.00 52.38 C +ATOM 250 ND1 HIS A 34 2.046 38.844 34.443 1.00 54.68 N +ATOM 251 CD2 HIS A 34 3.682 38.897 35.891 1.00 51.91 C +ATOM 252 CE1 HIS A 34 1.507 39.040 35.633 1.00 53.72 C +ATOM 253 NE2 HIS A 34 2.478 39.075 36.529 1.00 53.13 N +ATOM 254 N ARG A 35 4.611 36.262 30.453 1.00 43.59 N +ATOM 255 CA ARG A 35 5.429 36.118 29.253 1.00 43.89 C +ATOM 256 C ARG A 35 4.560 35.738 28.063 1.00 45.37 C +ATOM 257 O ARG A 35 3.474 35.167 28.241 1.00 44.55 O +ATOM 258 CB ARG A 35 6.515 35.054 29.445 1.00 43.10 C +ATOM 259 CG ARG A 35 6.054 33.628 29.319 1.00 39.85 C +ATOM 260 CD ARG A 35 7.206 32.678 29.529 1.00 37.77 C +ATOM 261 NE ARG A 35 6.721 31.310 29.626 1.00 39.44 N +ATOM 262 CZ ARG A 35 7.461 30.269 29.974 1.00 37.14 C +ATOM 263 NH1 ARG A 35 8.740 30.429 30.261 1.00 38.05 N +ATOM 264 NH2 ARG A 35 6.908 29.073 30.053 1.00 36.07 N +ATOM 265 N ASP A 36 5.043 36.061 26.858 1.00 45.90 N +ATOM 266 CA ASP A 36 4.327 35.750 25.615 1.00 46.11 C +ATOM 267 C ASP A 36 4.615 34.324 25.158 1.00 44.72 C +ATOM 268 O ASP A 36 5.758 33.893 25.117 1.00 44.18 O +ATOM 269 CB ASP A 36 4.708 36.730 24.497 1.00 47.75 C +ATOM 270 CG ASP A 36 4.077 38.112 24.674 1.00 50.13 C +ATOM 271 OD1 ASP A 36 3.185 38.286 25.542 1.00 49.76 O +ATOM 272 OD2 ASP A 36 4.473 39.032 23.925 1.00 51.76 O +ATOM 273 N VAL A 37 3.565 33.599 24.805 1.00 44.38 N +ATOM 274 CA VAL A 37 3.705 32.217 24.383 1.00 44.37 C +ATOM 275 C VAL A 37 2.928 31.979 23.100 1.00 43.91 C +ATOM 276 O VAL A 37 2.085 32.784 22.742 1.00 45.89 O +ATOM 277 CB VAL A 37 3.163 31.282 25.473 1.00 44.86 C +ATOM 278 CG1 VAL A 37 3.509 29.866 25.150 1.00 46.50 C +ATOM 279 CG2 VAL A 37 3.749 31.661 26.822 1.00 45.28 C +ATOM 280 N ALA A 38 3.218 30.887 22.401 1.00 42.89 N +ATOM 281 CA ALA A 38 2.500 30.555 21.172 1.00 42.22 C +ATOM 282 C ALA A 38 1.683 29.314 21.470 1.00 42.54 C +ATOM 283 O ALA A 38 2.244 28.264 21.751 1.00 43.02 O +ATOM 284 CB ALA A 38 3.474 30.279 20.040 1.00 41.05 C +ATOM 285 N VAL A 39 0.361 29.436 21.429 1.00 43.04 N +ATOM 286 CA VAL A 39 -0.510 28.298 21.709 1.00 44.48 C +ATOM 287 C VAL A 39 -1.081 27.731 20.424 1.00 45.97 C +ATOM 288 O VAL A 39 -1.519 28.477 19.554 1.00 46.64 O +ATOM 289 CB VAL A 39 -1.713 28.679 22.613 1.00 44.70 C +ATOM 290 CG1 VAL A 39 -2.469 27.422 23.014 1.00 43.63 C +ATOM 291 CG2 VAL A 39 -1.244 29.443 23.842 1.00 44.87 C +ATOM 292 N LYS A 40 -1.075 26.406 20.315 1.00 47.47 N +ATOM 293 CA LYS A 40 -1.600 25.705 19.150 1.00 48.29 C +ATOM 294 C LYS A 40 -2.922 25.088 19.579 1.00 50.04 C +ATOM 295 O LYS A 40 -2.975 24.375 20.580 1.00 51.03 O +ATOM 296 CB LYS A 40 -0.618 24.617 18.739 1.00 48.28 C +ATOM 297 CG LYS A 40 -0.906 23.941 17.420 1.00 48.63 C +ATOM 298 CD LYS A 40 0.273 23.045 17.051 1.00 48.61 C +ATOM 299 CE LYS A 40 0.202 22.547 15.626 1.00 49.04 C +ATOM 300 NZ LYS A 40 1.451 21.827 15.262 1.00 48.88 N +ATOM 301 N VAL A 41 -3.988 25.370 18.836 1.00 51.29 N +ATOM 302 CA VAL A 41 -5.317 24.843 19.157 1.00 52.29 C +ATOM 303 C VAL A 41 -5.789 23.845 18.116 1.00 52.97 C +ATOM 304 O VAL A 41 -5.761 24.152 16.934 1.00 52.45 O +ATOM 305 CB VAL A 41 -6.367 25.969 19.196 1.00 52.79 C +ATOM 306 CG1 VAL A 41 -7.767 25.371 19.352 1.00 51.72 C +ATOM 307 CG2 VAL A 41 -6.041 26.953 20.321 1.00 51.97 C +ATOM 308 N LEU A 42 -6.234 22.664 18.544 1.00 55.37 N +ATOM 309 CA LEU A 42 -6.727 21.668 17.591 1.00 58.26 C +ATOM 310 C LEU A 42 -7.938 22.256 16.884 1.00 61.75 C +ATOM 311 O LEU A 42 -8.955 22.539 17.521 1.00 60.83 O +ATOM 312 CB LEU A 42 -7.144 20.373 18.286 1.00 56.51 C +ATOM 313 CG LEU A 42 -7.577 19.296 17.288 1.00 55.00 C +ATOM 314 CD1 LEU A 42 -6.468 19.042 16.295 1.00 54.87 C +ATOM 315 CD2 LEU A 42 -7.893 18.022 18.009 1.00 55.88 C +ATOM 316 N ARG A 43 -7.819 22.430 15.567 1.00 66.06 N +ATOM 317 CA ARG A 43 -8.885 23.028 14.770 1.00 70.39 C +ATOM 318 C ARG A 43 -10.223 22.888 15.444 1.00 73.08 C +ATOM 319 O ARG A 43 -10.881 21.832 15.353 1.00 72.08 O +ATOM 320 CB ARG A 43 -8.995 22.416 13.376 1.00 70.96 C +ATOM 321 CG ARG A 43 -10.051 23.124 12.529 1.00 72.17 C +ATOM 322 CD ARG A 43 -10.579 22.197 11.461 1.00 73.92 C +ATOM 323 NE ARG A 43 -10.235 22.620 10.109 1.00 75.05 N +ATOM 324 CZ ARG A 43 -8.985 22.719 9.667 1.00 75.83 C +ATOM 325 NH1 ARG A 43 -7.970 22.427 10.474 1.00 76.31 N +ATOM 326 NH2 ARG A 43 -8.749 23.104 8.423 1.00 75.75 N +ATOM 327 N ALA A 44 -10.601 23.977 16.112 1.00 76.52 N +ATOM 328 CA ALA A 44 -11.854 24.071 16.847 1.00 80.53 C +ATOM 329 C ALA A 44 -12.858 22.937 16.502 1.00 82.67 C +ATOM 330 O ALA A 44 -13.797 23.111 15.707 1.00 83.06 O +ATOM 331 CB ALA A 44 -12.482 25.475 16.623 1.00 79.52 C +ATOM 332 N ASP A 45 -12.618 21.767 17.097 1.00 84.46 N +ATOM 333 CA ASP A 45 -13.472 20.596 16.920 1.00 86.28 C +ATOM 334 C ASP A 45 -13.708 20.088 15.479 1.00 86.62 C +ATOM 335 O ASP A 45 -14.090 18.923 15.297 1.00 86.70 O +ATOM 336 CB ASP A 45 -14.832 20.853 17.605 1.00 87.25 C +ATOM 337 CG ASP A 45 -14.684 21.472 19.008 1.00 87.92 C +ATOM 338 OD1 ASP A 45 -14.282 22.666 19.096 1.00 87.82 O +ATOM 339 OD2 ASP A 45 -14.964 20.764 20.016 1.00 87.95 O +ATOM 340 N LEU A 46 -13.485 20.925 14.464 1.00 86.82 N +ATOM 341 CA LEU A 46 -13.715 20.488 13.078 1.00 87.70 C +ATOM 342 C LEU A 46 -12.896 19.213 12.728 1.00 88.50 C +ATOM 343 O LEU A 46 -13.118 18.568 11.685 1.00 88.74 O +ATOM 344 CB LEU A 46 -13.411 21.645 12.101 1.00 86.74 C +ATOM 345 CG LEU A 46 -13.691 21.522 10.585 1.00 87.07 C +ATOM 346 CD1 LEU A 46 -13.619 22.918 9.944 1.00 86.07 C +ATOM 347 CD2 LEU A 46 -12.695 20.559 9.897 1.00 85.51 C +ATOM 348 N ALA A 47 -11.962 18.854 13.614 1.00 88.38 N +ATOM 349 CA ALA A 47 -11.130 17.663 13.442 1.00 88.11 C +ATOM 350 C ALA A 47 -10.598 17.285 14.825 1.00 88.23 C +ATOM 351 O ALA A 47 -9.401 17.034 15.005 1.00 88.24 O +ATOM 352 CB ALA A 47 -9.968 17.946 12.472 1.00 87.47 C +ATOM 353 N ARG A 48 -11.506 17.245 15.797 1.00 88.33 N +ATOM 354 CA ARG A 48 -11.151 16.916 17.174 1.00 88.33 C +ATOM 355 C ARG A 48 -11.842 15.642 17.704 1.00 88.29 C +ATOM 356 O ARG A 48 -11.434 15.084 18.727 1.00 88.25 O +ATOM 357 CB ARG A 48 -11.451 18.126 18.088 1.00 88.35 C +ATOM 358 CG ARG A 48 -11.379 17.840 19.592 1.00 89.99 C +ATOM 359 CD ARG A 48 -10.127 17.029 19.952 1.00 91.54 C +ATOM 360 NE ARG A 48 -10.176 16.345 21.258 1.00 93.14 N +ATOM 361 CZ ARG A 48 -11.211 15.641 21.734 1.00 93.38 C +ATOM 362 NH1 ARG A 48 -12.332 15.520 21.017 1.00 93.50 N +ATOM 363 NH2 ARG A 48 -11.113 15.034 22.922 1.00 92.07 N +ATOM 364 N ASP A 49 -12.874 15.162 17.017 1.00 88.04 N +ATOM 365 CA ASP A 49 -13.554 13.950 17.488 1.00 87.46 C +ATOM 366 C ASP A 49 -12.747 12.657 17.182 1.00 86.26 C +ATOM 367 O ASP A 49 -12.603 11.778 18.050 1.00 85.22 O +ATOM 368 CB ASP A 49 -14.978 13.861 16.881 1.00 88.45 C +ATOM 369 CG ASP A 49 -15.969 14.892 17.489 1.00 88.78 C +ATOM 370 OD1 ASP A 49 -15.598 16.083 17.654 1.00 90.02 O +ATOM 371 OD2 ASP A 49 -17.128 14.512 17.787 1.00 87.83 O +ATOM 372 N PRO A 50 -12.189 12.540 15.955 1.00 85.20 N +ATOM 373 CA PRO A 50 -11.413 11.343 15.574 1.00 84.62 C +ATOM 374 C PRO A 50 -10.113 11.091 16.363 1.00 84.15 C +ATOM 375 O PRO A 50 -9.801 11.787 17.337 1.00 83.16 O +ATOM 376 CB PRO A 50 -11.131 11.563 14.079 1.00 84.03 C +ATOM 377 CG PRO A 50 -12.228 12.498 13.646 1.00 83.80 C +ATOM 378 CD PRO A 50 -12.334 13.453 14.806 1.00 83.86 C +ATOM 379 N SER A 51 -9.369 10.080 15.916 1.00 83.53 N +ATOM 380 CA SER A 51 -8.094 9.715 16.521 1.00 82.91 C +ATOM 381 C SER A 51 -7.119 10.857 16.217 1.00 83.18 C +ATOM 382 O SER A 51 -5.893 10.707 16.334 1.00 82.98 O +ATOM 383 CB SER A 51 -7.561 8.429 15.888 1.00 83.35 C +ATOM 384 OG SER A 51 -7.174 8.656 14.535 1.00 82.60 O +ATOM 385 N PHE A 52 -7.676 11.983 15.778 1.00 82.83 N +ATOM 386 CA PHE A 52 -6.891 13.171 15.473 1.00 81.56 C +ATOM 387 C PHE A 52 -6.442 13.825 16.781 1.00 80.32 C +ATOM 388 O PHE A 52 -5.409 14.509 16.822 1.00 80.63 O +ATOM 389 CB PHE A 52 -7.720 14.174 14.662 1.00 82.33 C +ATOM 390 CG PHE A 52 -7.370 14.209 13.202 1.00 82.87 C +ATOM 391 CD1 PHE A 52 -6.184 13.611 12.740 1.00 82.99 C +ATOM 392 CD2 PHE A 52 -8.215 14.849 12.284 1.00 82.60 C +ATOM 393 CE1 PHE A 52 -5.841 13.645 11.378 1.00 82.75 C +ATOM 394 CE2 PHE A 52 -7.890 14.895 10.919 1.00 82.23 C +ATOM 395 CZ PHE A 52 -6.699 14.290 10.461 1.00 82.62 C +ATOM 396 N TYR A 53 -7.221 13.629 17.845 1.00 78.11 N +ATOM 397 CA TYR A 53 -6.847 14.201 19.130 1.00 76.62 C +ATOM 398 C TYR A 53 -5.603 13.476 19.593 1.00 73.64 C +ATOM 399 O TYR A 53 -4.757 14.053 20.266 1.00 74.03 O +ATOM 400 CB TYR A 53 -7.947 14.036 20.182 1.00 79.19 C +ATOM 401 CG TYR A 53 -8.206 12.609 20.617 1.00 82.95 C +ATOM 402 CD1 TYR A 53 -8.361 12.298 21.974 1.00 84.34 C +ATOM 403 CD2 TYR A 53 -8.352 11.567 19.671 1.00 84.14 C +ATOM 404 CE1 TYR A 53 -8.659 10.983 22.389 1.00 85.15 C +ATOM 405 CE2 TYR A 53 -8.652 10.250 20.074 1.00 84.13 C +ATOM 406 CZ TYR A 53 -8.804 9.970 21.439 1.00 84.52 C +ATOM 407 OH TYR A 53 -9.107 8.696 21.873 1.00 84.98 O +ATOM 408 N LEU A 54 -5.496 12.205 19.227 1.00 70.37 N +ATOM 409 CA LEU A 54 -4.333 11.421 19.601 1.00 67.50 C +ATOM 410 C LEU A 54 -3.127 12.048 18.918 1.00 65.24 C +ATOM 411 O LEU A 54 -2.175 12.465 19.569 1.00 64.70 O +ATOM 412 CB LEU A 54 -4.491 9.966 19.141 1.00 67.92 C +ATOM 413 CG LEU A 54 -5.549 9.046 19.765 1.00 67.77 C +ATOM 414 CD1 LEU A 54 -5.332 7.615 19.260 1.00 67.32 C +ATOM 415 CD2 LEU A 54 -5.455 9.092 21.287 1.00 67.55 C +ATOM 416 N ARG A 55 -3.182 12.118 17.598 1.00 63.32 N +ATOM 417 CA ARG A 55 -2.105 12.699 16.834 1.00 62.52 C +ATOM 418 C ARG A 55 -1.647 14.019 17.454 1.00 61.16 C +ATOM 419 O ARG A 55 -0.453 14.336 17.420 1.00 60.69 O +ATOM 420 CB ARG A 55 -2.567 12.888 15.388 1.00 64.93 C +ATOM 421 CG ARG A 55 -2.929 11.553 14.720 1.00 68.93 C +ATOM 422 CD ARG A 55 -3.829 11.685 13.466 1.00 71.05 C +ATOM 423 NE ARG A 55 -3.846 10.452 12.661 1.00 72.27 N +ATOM 424 CZ ARG A 55 -2.750 9.858 12.165 1.00 73.20 C +ATOM 425 NH1 ARG A 55 -1.540 10.378 12.396 1.00 73.57 N +ATOM 426 NH2 ARG A 55 -2.853 8.761 11.413 1.00 72.06 N +ATOM 427 N PHE A 56 -2.590 14.770 18.033 1.00 58.69 N +ATOM 428 CA PHE A 56 -2.296 16.057 18.674 1.00 56.65 C +ATOM 429 C PHE A 56 -1.642 15.851 20.037 1.00 56.48 C +ATOM 430 O PHE A 56 -0.600 16.423 20.320 1.00 56.53 O +ATOM 431 CB PHE A 56 -3.580 16.874 18.854 1.00 55.77 C +ATOM 432 CG PHE A 56 -3.349 18.348 19.159 1.00 54.46 C +ATOM 433 CD1 PHE A 56 -2.934 19.227 18.160 1.00 53.49 C +ATOM 434 CD2 PHE A 56 -3.588 18.861 20.440 1.00 54.75 C +ATOM 435 CE1 PHE A 56 -2.766 20.599 18.432 1.00 53.94 C +ATOM 436 CE2 PHE A 56 -3.422 20.224 20.724 1.00 53.05 C +ATOM 437 CZ PHE A 56 -3.011 21.094 19.719 1.00 53.65 C +ATOM 438 N ARG A 57 -2.260 15.040 20.889 1.00 58.12 N +ATOM 439 CA ARG A 57 -1.700 14.770 22.214 1.00 59.07 C +ATOM 440 C ARG A 57 -0.323 14.134 22.086 1.00 59.08 C +ATOM 441 O ARG A 57 0.600 14.502 22.817 1.00 59.34 O +ATOM 442 CB ARG A 57 -2.605 13.839 23.022 1.00 59.81 C +ATOM 443 CG ARG A 57 -3.268 14.493 24.230 1.00 62.32 C +ATOM 444 CD ARG A 57 -4.044 13.458 25.062 1.00 65.81 C +ATOM 445 NE ARG A 57 -4.949 14.064 26.047 1.00 67.96 N +ATOM 446 CZ ARG A 57 -6.048 14.767 25.746 1.00 68.00 C +ATOM 447 NH1 ARG A 57 -6.397 14.961 24.475 1.00 66.51 N +ATOM 448 NH2 ARG A 57 -6.802 15.279 26.721 1.00 66.88 N +ATOM 449 N ARG A 58 -0.188 13.188 21.157 1.00 58.09 N +ATOM 450 CA ARG A 58 1.080 12.506 20.932 1.00 57.61 C +ATOM 451 C ARG A 58 2.108 13.358 20.172 1.00 56.08 C +ATOM 452 O ARG A 58 3.251 12.947 19.990 1.00 54.50 O +ATOM 453 CB ARG A 58 0.847 11.181 20.195 1.00 60.72 C +ATOM 454 CG ARG A 58 0.115 10.088 21.016 1.00 65.79 C +ATOM 455 CD ARG A 58 -1.390 9.952 20.637 1.00 70.81 C +ATOM 456 NE ARG A 58 -1.798 8.583 20.266 1.00 73.85 N +ATOM 457 CZ ARG A 58 -2.133 8.173 19.033 1.00 75.29 C +ATOM 458 NH1 ARG A 58 -2.126 9.014 17.995 1.00 75.14 N +ATOM 459 NH2 ARG A 58 -2.472 6.900 18.829 1.00 76.32 N +ATOM 460 N GLU A 59 1.703 14.542 19.726 1.00 55.53 N +ATOM 461 CA GLU A 59 2.613 15.439 19.014 1.00 54.64 C +ATOM 462 C GLU A 59 3.154 16.417 20.027 1.00 53.71 C +ATOM 463 O GLU A 59 4.299 16.863 19.964 1.00 52.67 O +ATOM 464 CB GLU A 59 1.886 16.232 17.942 1.00 55.32 C +ATOM 465 CG GLU A 59 2.820 17.103 17.131 1.00 56.42 C +ATOM 466 CD GLU A 59 2.170 18.392 16.680 1.00 57.65 C +ATOM 467 OE1 GLU A 59 0.943 18.374 16.430 1.00 59.04 O +ATOM 468 OE2 GLU A 59 2.891 19.416 16.569 1.00 57.78 O +ATOM 469 N ALA A 60 2.292 16.780 20.956 1.00 53.16 N +ATOM 470 CA ALA A 60 2.703 17.676 21.998 1.00 53.81 C +ATOM 471 C ALA A 60 3.775 16.918 22.795 1.00 54.30 C +ATOM 472 O ALA A 60 4.844 17.462 23.070 1.00 55.48 O +ATOM 473 CB ALA A 60 1.512 18.032 22.881 1.00 52.52 C +ATOM 474 N GLN A 61 3.507 15.655 23.137 1.00 53.67 N +ATOM 475 CA GLN A 61 4.469 14.872 23.911 1.00 52.18 C +ATOM 476 C GLN A 61 5.671 14.397 23.127 1.00 51.05 C +ATOM 477 O GLN A 61 6.710 14.101 23.701 1.00 51.66 O +ATOM 478 CB GLN A 61 3.787 13.680 24.594 1.00 52.06 C +ATOM 479 CG GLN A 61 2.780 12.961 23.739 1.00 54.12 C +ATOM 480 CD GLN A 61 1.921 11.955 24.515 1.00 54.05 C +ATOM 481 OE1 GLN A 61 1.397 12.254 25.600 1.00 52.69 O +ATOM 482 NE2 GLN A 61 1.755 10.760 23.941 1.00 52.23 N +ATOM 483 N ASN A 62 5.552 14.343 21.812 1.00 51.11 N +ATOM 484 CA ASN A 62 6.683 13.899 21.013 1.00 51.26 C +ATOM 485 C ASN A 62 7.707 15.014 20.853 1.00 50.83 C +ATOM 486 O ASN A 62 8.867 14.748 20.554 1.00 52.54 O +ATOM 487 CB ASN A 62 6.213 13.396 19.644 1.00 51.76 C +ATOM 488 CG ASN A 62 6.825 12.053 19.280 1.00 52.34 C +ATOM 489 OD1 ASN A 62 7.347 11.335 20.147 1.00 52.65 O +ATOM 490 ND2 ASN A 62 6.751 11.695 18.000 1.00 51.94 N +ATOM 491 N ALA A 63 7.272 16.258 21.055 1.00 49.94 N +ATOM 492 CA ALA A 63 8.153 17.424 20.958 1.00 47.71 C +ATOM 493 C ALA A 63 8.566 17.852 22.365 1.00 47.08 C +ATOM 494 O ALA A 63 9.577 18.534 22.550 1.00 47.47 O +ATOM 495 CB ALA A 63 7.443 18.571 20.251 1.00 44.77 C +ATOM 496 N ALA A 64 7.775 17.439 23.354 1.00 45.64 N +ATOM 497 CA ALA A 64 8.031 17.761 24.752 1.00 43.03 C +ATOM 498 C ALA A 64 9.195 16.926 25.243 1.00 41.81 C +ATOM 499 O ALA A 64 9.820 17.233 26.254 1.00 39.50 O +ATOM 500 CB ALA A 64 6.796 17.470 25.580 1.00 42.67 C +ATOM 501 N ALA A 65 9.481 15.869 24.498 1.00 41.58 N +ATOM 502 CA ALA A 65 10.558 14.954 24.829 1.00 41.45 C +ATOM 503 C ALA A 65 11.917 15.521 24.467 1.00 40.63 C +ATOM 504 O ALA A 65 12.940 15.056 24.967 1.00 40.66 O +ATOM 505 CB ALA A 65 10.338 13.631 24.115 1.00 42.12 C +ATOM 506 N LEU A 66 11.918 16.527 23.598 1.00 39.98 N +ATOM 507 CA LEU A 66 13.151 17.162 23.155 1.00 40.30 C +ATOM 508 C LEU A 66 13.360 18.500 23.855 1.00 40.82 C +ATOM 509 O LEU A 66 12.409 19.150 24.242 1.00 43.41 O +ATOM 510 CB LEU A 66 13.106 17.405 21.644 1.00 40.01 C +ATOM 511 CG LEU A 66 12.766 16.299 20.639 1.00 40.35 C +ATOM 512 CD1 LEU A 66 12.984 16.829 19.235 1.00 38.94 C +ATOM 513 CD2 LEU A 66 13.640 15.086 20.855 1.00 41.16 C +ATOM 514 N ASN A 67 14.610 18.908 24.017 1.00 41.56 N +ATOM 515 CA ASN A 67 14.934 20.192 24.635 1.00 41.20 C +ATOM 516 C ASN A 67 16.241 20.688 24.029 1.00 40.28 C +ATOM 517 O ASN A 67 17.319 20.292 24.459 1.00 39.87 O +ATOM 518 CB ASN A 67 15.084 20.049 26.144 1.00 43.09 C +ATOM 519 CG ASN A 67 15.356 21.375 26.820 1.00 45.81 C +ATOM 520 OD1 ASN A 67 14.899 22.421 26.351 1.00 48.10 O +ATOM 521 ND2 ASN A 67 16.086 21.342 27.933 1.00 46.18 N +ATOM 522 N HIS A 68 16.130 21.563 23.036 1.00 38.60 N +ATOM 523 CA HIS A 68 17.281 22.080 22.321 1.00 36.13 C +ATOM 524 C HIS A 68 16.900 23.413 21.694 1.00 35.55 C +ATOM 525 O HIS A 68 15.813 23.566 21.161 1.00 34.57 O +ATOM 526 CB HIS A 68 17.668 21.056 21.244 1.00 37.59 C +ATOM 527 CG HIS A 68 18.742 21.515 20.309 1.00 38.98 C +ATOM 528 ND1 HIS A 68 19.994 20.946 20.283 1.00 39.32 N +ATOM 529 CD2 HIS A 68 18.749 22.479 19.360 1.00 39.30 C +ATOM 530 CE1 HIS A 68 20.729 21.539 19.360 1.00 39.74 C +ATOM 531 NE2 HIS A 68 19.996 22.474 18.785 1.00 41.64 N +ATOM 532 N PRO A 69 17.803 24.398 21.736 1.00 36.82 N +ATOM 533 CA PRO A 69 17.531 25.720 21.165 1.00 36.51 C +ATOM 534 C PRO A 69 16.830 25.746 19.812 1.00 37.09 C +ATOM 535 O PRO A 69 15.860 26.470 19.643 1.00 39.04 O +ATOM 536 CB PRO A 69 18.913 26.351 21.102 1.00 36.01 C +ATOM 537 CG PRO A 69 19.573 25.801 22.296 1.00 35.34 C +ATOM 538 CD PRO A 69 19.178 24.340 22.266 1.00 36.18 C +ATOM 539 N ALA A 70 17.315 24.958 18.856 1.00 35.87 N +ATOM 540 CA ALA A 70 16.743 24.935 17.511 1.00 34.34 C +ATOM 541 C ALA A 70 15.416 24.205 17.376 1.00 33.83 C +ATOM 542 O ALA A 70 14.838 24.164 16.299 1.00 33.73 O +ATOM 543 CB ALA A 70 17.751 24.350 16.531 1.00 32.73 C +ATOM 544 N ILE A 71 14.931 23.616 18.459 1.00 31.95 N +ATOM 545 CA ILE A 71 13.663 22.918 18.409 1.00 30.70 C +ATOM 546 C ILE A 71 12.696 23.619 19.348 1.00 32.15 C +ATOM 547 O ILE A 71 12.955 23.706 20.541 1.00 33.76 O +ATOM 548 CB ILE A 71 13.815 21.477 18.859 1.00 28.66 C +ATOM 549 CG1 ILE A 71 14.926 20.808 18.075 1.00 29.50 C +ATOM 550 CG2 ILE A 71 12.541 20.724 18.620 1.00 26.19 C +ATOM 551 CD1 ILE A 71 15.233 19.419 18.568 1.00 32.78 C +ATOM 552 N VAL A 72 11.588 24.126 18.816 1.00 31.62 N +ATOM 553 CA VAL A 72 10.598 24.812 19.637 1.00 31.82 C +ATOM 554 C VAL A 72 10.223 23.953 20.831 1.00 31.21 C +ATOM 555 O VAL A 72 9.870 22.795 20.685 1.00 30.97 O +ATOM 556 CB VAL A 72 9.327 25.123 18.837 1.00 32.83 C +ATOM 557 CG1 VAL A 72 8.301 25.777 19.729 1.00 33.95 C +ATOM 558 CG2 VAL A 72 9.659 26.030 17.682 1.00 34.51 C +ATOM 559 N ALA A 73 10.302 24.530 22.018 1.00 31.40 N +ATOM 560 CA ALA A 73 9.988 23.797 23.230 1.00 33.57 C +ATOM 561 C ALA A 73 8.507 23.832 23.544 1.00 34.90 C +ATOM 562 O ALA A 73 7.816 24.780 23.182 1.00 36.37 O +ATOM 563 CB ALA A 73 10.772 24.375 24.394 1.00 32.41 C +ATOM 564 N VAL A 74 8.022 22.786 24.204 1.00 34.59 N +ATOM 565 CA VAL A 74 6.623 22.718 24.610 1.00 34.94 C +ATOM 566 C VAL A 74 6.640 23.082 26.084 1.00 36.30 C +ATOM 567 O VAL A 74 7.490 22.601 26.824 1.00 37.32 O +ATOM 568 CB VAL A 74 6.037 21.292 24.448 1.00 34.21 C +ATOM 569 CG1 VAL A 74 4.655 21.211 25.069 1.00 32.98 C +ATOM 570 CG2 VAL A 74 5.954 20.933 23.001 1.00 33.77 C +ATOM 571 N TYR A 75 5.721 23.934 26.519 1.00 37.52 N +ATOM 572 CA TYR A 75 5.704 24.319 27.924 1.00 39.55 C +ATOM 573 C TYR A 75 4.523 23.743 28.683 1.00 41.13 C +ATOM 574 O TYR A 75 4.609 23.551 29.891 1.00 41.48 O +ATOM 575 CB TYR A 75 5.664 25.847 28.094 1.00 38.60 C +ATOM 576 CG TYR A 75 6.840 26.625 27.547 1.00 38.90 C +ATOM 577 CD1 TYR A 75 8.149 26.192 27.746 1.00 38.92 C +ATOM 578 CD2 TYR A 75 6.643 27.841 26.888 1.00 39.38 C +ATOM 579 CE1 TYR A 75 9.224 26.948 27.311 1.00 39.35 C +ATOM 580 CE2 TYR A 75 7.713 28.603 26.451 1.00 39.66 C +ATOM 581 CZ TYR A 75 8.998 28.152 26.669 1.00 39.73 C +ATOM 582 OH TYR A 75 10.060 28.915 26.266 1.00 40.62 O +ATOM 583 N ASP A 76 3.430 23.452 27.983 1.00 42.24 N +ATOM 584 CA ASP A 76 2.240 22.958 28.660 1.00 44.35 C +ATOM 585 C ASP A 76 1.181 22.474 27.655 1.00 45.98 C +ATOM 586 O ASP A 76 1.199 22.880 26.497 1.00 47.15 O +ATOM 587 CB ASP A 76 1.699 24.121 29.504 1.00 44.60 C +ATOM 588 CG ASP A 76 0.566 23.720 30.427 1.00 45.84 C +ATOM 589 OD1 ASP A 76 -0.410 23.119 29.952 1.00 47.91 O +ATOM 590 OD2 ASP A 76 0.641 24.024 31.634 1.00 46.08 O +ATOM 591 N THR A 77 0.276 21.596 28.082 1.00 46.47 N +ATOM 592 CA THR A 77 -0.796 21.127 27.204 1.00 49.25 C +ATOM 593 C THR A 77 -2.111 21.329 27.937 1.00 52.42 C +ATOM 594 O THR A 77 -2.182 22.061 28.916 1.00 54.41 O +ATOM 595 CB THR A 77 -0.711 19.629 26.858 1.00 48.63 C +ATOM 596 OG1 THR A 77 0.630 19.285 26.524 1.00 51.15 O +ATOM 597 CG2 THR A 77 -1.594 19.310 25.652 1.00 47.15 C +ATOM 598 N GLY A 78 -3.160 20.666 27.473 1.00 54.92 N +ATOM 599 CA GLY A 78 -4.445 20.810 28.119 1.00 56.11 C +ATOM 600 C GLY A 78 -5.552 20.962 27.101 1.00 58.09 C +ATOM 601 O GLY A 78 -5.377 20.667 25.908 1.00 57.87 O +ATOM 602 N GLU A 79 -6.699 21.420 27.585 1.00 59.12 N +ATOM 603 CA GLU A 79 -7.862 21.621 26.746 1.00 61.02 C +ATOM 604 C GLU A 79 -8.838 22.422 27.555 1.00 61.59 C +ATOM 605 O GLU A 79 -8.962 22.203 28.754 1.00 61.85 O +ATOM 606 CB GLU A 79 -8.482 20.277 26.369 1.00 61.77 C +ATOM 607 CG GLU A 79 -8.932 19.460 27.552 1.00 63.89 C +ATOM 608 CD GLU A 79 -9.286 18.022 27.183 1.00 66.31 C +ATOM 609 OE1 GLU A 79 -8.377 17.287 26.725 1.00 67.21 O +ATOM 610 OE2 GLU A 79 -10.468 17.622 27.358 1.00 67.44 O +ATOM 611 N ALA A 80 -9.512 23.366 26.910 1.00 63.70 N +ATOM 612 CA ALA A 80 -10.502 24.186 27.596 1.00 66.19 C +ATOM 613 C ALA A 80 -11.863 23.696 27.143 1.00 67.96 C +ATOM 614 O ALA A 80 -12.017 23.226 26.015 1.00 67.88 O +ATOM 615 CB ALA A 80 -10.325 25.646 27.248 1.00 66.80 C +ATOM 616 N GLU A 81 -12.849 23.805 28.022 1.00 70.02 N +ATOM 617 CA GLU A 81 -14.189 23.330 27.706 1.00 73.07 C +ATOM 618 C GLU A 81 -15.028 24.341 26.901 1.00 73.86 C +ATOM 619 O GLU A 81 -15.116 25.522 27.256 1.00 74.79 O +ATOM 620 CB GLU A 81 -14.897 22.960 29.020 1.00 74.89 C +ATOM 621 CG GLU A 81 -13.915 22.679 30.179 1.00 78.46 C +ATOM 622 CD GLU A 81 -14.578 22.076 31.447 1.00 81.00 C +ATOM 623 OE1 GLU A 81 -15.575 22.663 31.966 1.00 81.71 O +ATOM 624 OE2 GLU A 81 -14.079 21.015 31.933 1.00 81.62 O +ATOM 625 N THR A 82 -15.627 23.891 25.800 1.00 74.28 N +ATOM 626 CA THR A 82 -16.480 24.781 24.995 1.00 74.55 C +ATOM 627 C THR A 82 -17.619 24.015 24.353 1.00 74.72 C +ATOM 628 O THR A 82 -17.447 22.882 23.924 1.00 74.39 O +ATOM 629 CB THR A 82 -15.707 25.519 23.875 1.00 74.06 C +ATOM 630 OG1 THR A 82 -14.956 24.575 23.096 1.00 72.79 O +ATOM 631 CG2 THR A 82 -14.798 26.577 24.476 1.00 73.42 C +ATOM 632 N PRO A 83 -18.793 24.655 24.243 1.00 75.33 N +ATOM 633 CA PRO A 83 -20.023 24.099 23.667 1.00 75.31 C +ATOM 634 C PRO A 83 -19.941 22.739 22.967 1.00 75.12 C +ATOM 635 O PRO A 83 -20.589 21.783 23.410 1.00 75.08 O +ATOM 636 CB PRO A 83 -20.490 25.219 22.750 1.00 75.26 C +ATOM 637 CG PRO A 83 -20.246 26.417 23.630 1.00 75.96 C +ATOM 638 CD PRO A 83 -18.850 26.132 24.230 1.00 75.65 C +ATOM 639 N ALA A 84 -19.153 22.651 21.892 1.00 74.87 N +ATOM 640 CA ALA A 84 -19.007 21.400 21.124 1.00 74.44 C +ATOM 641 C ALA A 84 -18.182 20.318 21.843 1.00 73.64 C +ATOM 642 O ALA A 84 -18.179 19.139 21.449 1.00 73.17 O +ATOM 643 CB ALA A 84 -18.388 21.699 19.745 1.00 74.80 C +ATOM 644 N GLY A 85 -17.483 20.729 22.896 1.00 72.98 N +ATOM 645 CA GLY A 85 -16.667 19.802 23.654 1.00 71.12 C +ATOM 646 C GLY A 85 -15.242 20.275 23.890 1.00 69.44 C +ATOM 647 O GLY A 85 -14.934 21.472 23.823 1.00 68.87 O +ATOM 648 N PRO A 86 -14.345 19.333 24.198 1.00 68.19 N +ATOM 649 CA PRO A 86 -12.941 19.648 24.448 1.00 67.21 C +ATOM 650 C PRO A 86 -12.221 20.355 23.290 1.00 65.42 C +ATOM 651 O PRO A 86 -12.546 20.163 22.114 1.00 64.94 O +ATOM 652 CB PRO A 86 -12.344 18.275 24.758 1.00 67.67 C +ATOM 653 CG PRO A 86 -13.472 17.596 25.481 1.00 66.68 C +ATOM 654 CD PRO A 86 -14.635 17.936 24.573 1.00 67.16 C +ATOM 655 N LEU A 87 -11.252 21.190 23.663 1.00 64.01 N +ATOM 656 CA LEU A 87 -10.407 21.937 22.732 1.00 61.46 C +ATOM 657 C LEU A 87 -8.975 21.791 23.217 1.00 58.60 C +ATOM 658 O LEU A 87 -8.526 22.559 24.063 1.00 56.44 O +ATOM 659 CB LEU A 87 -10.774 23.425 22.707 1.00 62.54 C +ATOM 660 CG LEU A 87 -11.780 23.891 21.645 1.00 62.89 C +ATOM 661 CD1 LEU A 87 -11.852 25.413 21.707 1.00 63.74 C +ATOM 662 CD2 LEU A 87 -11.360 23.437 20.233 1.00 62.30 C +ATOM 663 N PRO A 88 -8.259 20.776 22.704 1.00 56.64 N +ATOM 664 CA PRO A 88 -6.867 20.465 23.038 1.00 55.94 C +ATOM 665 C PRO A 88 -5.946 21.559 22.530 1.00 54.89 C +ATOM 666 O PRO A 88 -5.953 21.887 21.342 1.00 54.46 O +ATOM 667 CB PRO A 88 -6.622 19.141 22.316 1.00 55.65 C +ATOM 668 CG PRO A 88 -7.972 18.533 22.254 1.00 55.76 C +ATOM 669 CD PRO A 88 -8.825 19.708 21.866 1.00 56.45 C +ATOM 670 N TYR A 89 -5.159 22.127 23.430 1.00 53.09 N +ATOM 671 CA TYR A 89 -4.251 23.183 23.036 1.00 51.83 C +ATOM 672 C TYR A 89 -2.838 22.793 23.415 1.00 49.11 C +ATOM 673 O TYR A 89 -2.651 21.866 24.195 1.00 50.11 O +ATOM 674 CB TYR A 89 -4.657 24.497 23.713 1.00 53.96 C +ATOM 675 CG TYR A 89 -4.479 24.541 25.216 1.00 54.95 C +ATOM 676 CD1 TYR A 89 -3.210 24.598 25.783 1.00 56.13 C +ATOM 677 CD2 TYR A 89 -5.583 24.563 26.069 1.00 55.84 C +ATOM 678 CE1 TYR A 89 -3.041 24.678 27.152 1.00 57.88 C +ATOM 679 CE2 TYR A 89 -5.429 24.642 27.451 1.00 56.76 C +ATOM 680 CZ TYR A 89 -4.152 24.700 27.989 1.00 58.28 C +ATOM 681 OH TYR A 89 -3.965 24.782 29.359 1.00 58.97 O +ATOM 682 N ILE A 90 -1.851 23.484 22.855 1.00 44.97 N +ATOM 683 CA ILE A 90 -0.455 23.212 23.165 1.00 42.25 C +ATOM 684 C ILE A 90 0.234 24.541 23.345 1.00 40.30 C +ATOM 685 O ILE A 90 0.085 25.412 22.507 1.00 41.57 O +ATOM 686 CB ILE A 90 0.216 22.451 22.034 1.00 41.34 C +ATOM 687 CG1 ILE A 90 -0.423 21.075 21.911 1.00 41.91 C +ATOM 688 CG2 ILE A 90 1.689 22.317 22.300 1.00 41.77 C +ATOM 689 CD1 ILE A 90 0.153 20.226 20.813 1.00 41.70 C +ATOM 690 N VAL A 91 0.984 24.699 24.429 1.00 37.51 N +ATOM 691 CA VAL A 91 1.674 25.956 24.714 1.00 37.07 C +ATOM 692 C VAL A 91 3.152 25.832 24.388 1.00 37.59 C +ATOM 693 O VAL A 91 3.880 25.172 25.112 1.00 38.19 O +ATOM 694 CB VAL A 91 1.505 26.324 26.201 1.00 37.29 C +ATOM 695 CG1 VAL A 91 1.950 27.730 26.455 1.00 36.10 C +ATOM 696 CG2 VAL A 91 0.058 26.180 26.600 1.00 38.51 C +ATOM 697 N MET A 92 3.597 26.471 23.308 1.00 37.99 N +ATOM 698 CA MET A 92 4.993 26.384 22.870 1.00 39.17 C +ATOM 699 C MET A 92 5.733 27.680 23.118 1.00 39.25 C +ATOM 700 O MET A 92 5.122 28.661 23.498 1.00 38.79 O +ATOM 701 CB MET A 92 5.064 26.097 21.369 1.00 40.40 C +ATOM 702 CG MET A 92 4.146 25.012 20.855 1.00 41.86 C +ATOM 703 SD MET A 92 3.735 25.291 19.112 1.00 45.42 S +ATOM 704 CE MET A 92 4.727 24.001 18.276 1.00 44.19 C +ATOM 705 N GLU A 93 7.048 27.685 22.905 1.00 40.00 N +ATOM 706 CA GLU A 93 7.818 28.920 23.066 1.00 41.27 C +ATOM 707 C GLU A 93 7.443 29.743 21.851 1.00 40.99 C +ATOM 708 O GLU A 93 7.165 29.195 20.787 1.00 40.42 O +ATOM 709 CB GLU A 93 9.340 28.679 23.079 1.00 41.64 C +ATOM 710 CG GLU A 93 9.957 28.283 21.750 1.00 44.37 C +ATOM 711 CD GLU A 93 11.484 28.213 21.795 1.00 47.71 C +ATOM 712 OE1 GLU A 93 12.126 29.283 21.870 1.00 49.76 O +ATOM 713 OE2 GLU A 93 12.053 27.094 21.753 1.00 48.24 O +ATOM 714 N TYR A 94 7.413 31.055 22.005 1.00 40.81 N +ATOM 715 CA TYR A 94 7.040 31.911 20.892 1.00 40.81 C +ATOM 716 C TYR A 94 8.238 32.311 20.062 1.00 39.63 C +ATOM 717 O TYR A 94 9.252 32.755 20.596 1.00 39.97 O +ATOM 718 CB TYR A 94 6.320 33.149 21.413 1.00 43.38 C +ATOM 719 CG TYR A 94 6.111 34.221 20.382 1.00 45.74 C +ATOM 720 CD1 TYR A 94 5.439 33.954 19.194 1.00 46.90 C +ATOM 721 CD2 TYR A 94 6.599 35.512 20.591 1.00 47.82 C +ATOM 722 CE1 TYR A 94 5.261 34.953 18.236 1.00 48.86 C +ATOM 723 CE2 TYR A 94 6.427 36.516 19.636 1.00 48.23 C +ATOM 724 CZ TYR A 94 5.760 36.230 18.468 1.00 48.73 C +ATOM 725 OH TYR A 94 5.590 37.222 17.538 1.00 51.41 O +ATOM 726 N VAL A 95 8.119 32.133 18.750 1.00 37.85 N +ATOM 727 CA VAL A 95 9.193 32.483 17.833 1.00 36.60 C +ATOM 728 C VAL A 95 8.719 33.598 16.938 1.00 38.08 C +ATOM 729 O VAL A 95 8.042 33.349 15.950 1.00 39.58 O +ATOM 730 CB VAL A 95 9.585 31.324 16.907 1.00 34.41 C +ATOM 731 CG1 VAL A 95 10.715 31.747 16.033 1.00 30.34 C +ATOM 732 CG2 VAL A 95 9.958 30.105 17.701 1.00 32.54 C +ATOM 733 N ASP A 96 9.040 34.837 17.283 1.00 39.34 N +ATOM 734 CA ASP A 96 8.643 35.928 16.416 1.00 40.23 C +ATOM 735 C ASP A 96 9.526 35.792 15.181 1.00 39.59 C +ATOM 736 O ASP A 96 10.679 36.235 15.161 1.00 38.09 O +ATOM 737 CB ASP A 96 8.874 37.276 17.081 1.00 40.93 C +ATOM 738 CG ASP A 96 8.837 38.419 16.088 1.00 42.46 C +ATOM 739 OD1 ASP A 96 8.086 38.336 15.082 1.00 40.66 O +ATOM 740 OD2 ASP A 96 9.562 39.406 16.325 1.00 45.05 O +ATOM 741 N GLY A 97 8.988 35.159 14.151 1.00 37.63 N +ATOM 742 CA GLY A 97 9.794 34.967 12.982 1.00 37.56 C +ATOM 743 C GLY A 97 9.052 34.651 11.719 1.00 38.23 C +ATOM 744 O GLY A 97 7.909 35.058 11.522 1.00 39.14 O +ATOM 745 N VAL A 98 9.734 33.892 10.874 1.00 37.49 N +ATOM 746 CA VAL A 98 9.243 33.523 9.567 1.00 37.98 C +ATOM 747 C VAL A 98 9.690 32.114 9.187 1.00 38.95 C +ATOM 748 O VAL A 98 10.810 31.742 9.499 1.00 40.60 O +ATOM 749 CB VAL A 98 9.807 34.521 8.561 1.00 36.73 C +ATOM 750 CG1 VAL A 98 9.839 33.919 7.194 1.00 39.68 C +ATOM 751 CG2 VAL A 98 8.985 35.784 8.581 1.00 33.60 C +ATOM 752 N THR A 99 8.831 31.329 8.533 1.00 37.81 N +ATOM 753 CA THR A 99 9.231 29.986 8.116 1.00 38.89 C +ATOM 754 C THR A 99 10.109 30.213 6.915 1.00 40.25 C +ATOM 755 O THR A 99 10.093 31.296 6.344 1.00 40.33 O +ATOM 756 CB THR A 99 8.060 29.107 7.636 1.00 39.41 C +ATOM 757 OG1 THR A 99 7.479 29.676 6.453 1.00 38.14 O +ATOM 758 CG2 THR A 99 7.015 28.969 8.720 1.00 40.27 C +ATOM 759 N LEU A 100 10.879 29.211 6.520 1.00 41.14 N +ATOM 760 CA LEU A 100 11.736 29.389 5.360 1.00 42.50 C +ATOM 761 C LEU A 100 10.900 29.483 4.092 1.00 43.60 C +ATOM 762 O LEU A 100 11.323 30.075 3.106 1.00 44.56 O +ATOM 763 CB LEU A 100 12.733 28.245 5.242 1.00 41.32 C +ATOM 764 CG LEU A 100 13.856 28.262 6.263 1.00 40.95 C +ATOM 765 CD1 LEU A 100 14.771 27.094 5.992 1.00 41.04 C +ATOM 766 CD2 LEU A 100 14.610 29.567 6.181 1.00 40.84 C +ATOM 767 N ARG A 101 9.708 28.903 4.116 1.00 45.14 N +ATOM 768 CA ARG A 101 8.839 28.965 2.955 1.00 47.74 C +ATOM 769 C ARG A 101 8.672 30.425 2.562 1.00 48.47 C +ATOM 770 O ARG A 101 8.689 30.764 1.385 1.00 47.59 O +ATOM 771 CB ARG A 101 7.476 28.341 3.273 1.00 49.10 C +ATOM 772 CG ARG A 101 6.401 28.666 2.251 1.00 51.82 C +ATOM 773 CD ARG A 101 5.307 27.608 2.202 1.00 55.12 C +ATOM 774 NE ARG A 101 4.374 27.646 3.328 1.00 58.78 N +ATOM 775 CZ ARG A 101 3.464 26.698 3.564 1.00 60.46 C +ATOM 776 NH1 ARG A 101 3.378 25.649 2.749 1.00 61.22 N +ATOM 777 NH2 ARG A 101 2.639 26.791 4.605 1.00 60.03 N +ATOM 778 N ASP A 102 8.531 31.281 3.570 1.00 50.72 N +ATOM 779 CA ASP A 102 8.356 32.718 3.373 1.00 52.49 C +ATOM 780 C ASP A 102 9.612 33.390 2.872 1.00 53.25 C +ATOM 781 O ASP A 102 9.602 34.013 1.818 1.00 53.91 O +ATOM 782 CB ASP A 102 7.934 33.403 4.672 1.00 53.77 C +ATOM 783 CG ASP A 102 6.542 33.013 5.112 1.00 55.51 C +ATOM 784 OD1 ASP A 102 5.619 33.128 4.282 1.00 53.93 O +ATOM 785 OD2 ASP A 102 6.372 32.601 6.286 1.00 57.17 O +ATOM 786 N ILE A 103 10.688 33.282 3.640 1.00 53.80 N +ATOM 787 CA ILE A 103 11.952 33.890 3.248 1.00 54.70 C +ATOM 788 C ILE A 103 12.304 33.551 1.795 1.00 54.99 C +ATOM 789 O ILE A 103 12.891 34.376 1.085 1.00 55.86 O +ATOM 790 CB ILE A 103 13.109 33.427 4.164 1.00 54.94 C +ATOM 791 CG1 ILE A 103 12.807 33.806 5.616 1.00 55.44 C +ATOM 792 CG2 ILE A 103 14.426 34.062 3.714 1.00 55.27 C +ATOM 793 CD1 ILE A 103 13.939 33.489 6.586 1.00 53.81 C +ATOM 794 N VAL A 104 11.945 32.353 1.341 1.00 54.62 N +ATOM 795 CA VAL A 104 12.254 31.988 -0.032 1.00 56.21 C +ATOM 796 C VAL A 104 11.173 32.482 -0.997 1.00 57.82 C +ATOM 797 O VAL A 104 11.214 32.215 -2.196 1.00 58.27 O +ATOM 798 CB VAL A 104 12.436 30.467 -0.181 1.00 55.40 C +ATOM 799 CG1 VAL A 104 12.840 30.119 -1.605 1.00 54.56 C +ATOM 800 CG2 VAL A 104 13.501 29.993 0.766 1.00 55.46 C +ATOM 801 N HIS A 105 10.221 33.237 -0.472 1.00 59.56 N +ATOM 802 CA HIS A 105 9.142 33.762 -1.295 1.00 61.03 C +ATOM 803 C HIS A 105 9.192 35.282 -1.472 1.00 61.94 C +ATOM 804 O HIS A 105 8.681 35.822 -2.450 1.00 61.35 O +ATOM 805 CB HIS A 105 7.805 33.375 -0.684 1.00 61.20 C +ATOM 806 CG HIS A 105 6.638 33.991 -1.377 1.00 63.02 C +ATOM 807 ND1 HIS A 105 6.215 33.582 -2.623 1.00 64.61 N +ATOM 808 CD2 HIS A 105 5.839 35.025 -1.026 1.00 63.91 C +ATOM 809 CE1 HIS A 105 5.205 34.341 -3.013 1.00 64.90 C +ATOM 810 NE2 HIS A 105 4.958 35.225 -2.062 1.00 65.19 N +ATOM 811 N THR A 106 9.801 35.975 -0.522 1.00 62.94 N +ATOM 812 CA THR A 106 9.882 37.424 -0.602 1.00 64.93 C +ATOM 813 C THR A 106 11.320 37.901 -0.719 1.00 66.28 C +ATOM 814 O THR A 106 11.593 39.114 -0.667 1.00 67.55 O +ATOM 815 CB THR A 106 9.282 38.086 0.632 1.00 64.53 C +ATOM 816 OG1 THR A 106 10.070 37.742 1.781 1.00 64.67 O +ATOM 817 CG2 THR A 106 7.849 37.639 0.822 1.00 64.44 C +ATOM 818 N GLU A 107 12.243 36.957 -0.858 1.00 65.86 N +ATOM 819 CA GLU A 107 13.641 37.325 -0.998 1.00 65.81 C +ATOM 820 C GLU A 107 14.275 36.494 -2.090 1.00 64.67 C +ATOM 821 O GLU A 107 15.374 36.800 -2.567 1.00 64.91 O +ATOM 822 CB GLU A 107 14.384 37.092 0.309 1.00 66.47 C +ATOM 823 CG GLU A 107 13.984 38.028 1.414 1.00 68.13 C +ATOM 824 CD GLU A 107 14.889 37.871 2.626 1.00 70.54 C +ATOM 825 OE1 GLU A 107 14.648 36.958 3.455 1.00 70.84 O +ATOM 826 OE2 GLU A 107 15.861 38.659 2.740 1.00 72.53 O +ATOM 827 N GLY A 108 13.562 35.448 -2.490 1.00 62.56 N +ATOM 828 CA GLY A 108 14.093 34.556 -3.494 1.00 60.87 C +ATOM 829 C GLY A 108 15.105 33.676 -2.783 1.00 59.43 C +ATOM 830 O GLY A 108 14.970 33.435 -1.580 1.00 59.70 O +ATOM 831 N PRO A 109 16.134 33.186 -3.486 1.00 58.09 N +ATOM 832 CA PRO A 109 17.149 32.330 -2.867 1.00 57.04 C +ATOM 833 C PRO A 109 17.984 33.056 -1.813 1.00 57.12 C +ATOM 834 O PRO A 109 18.088 34.283 -1.830 1.00 56.28 O +ATOM 835 CB PRO A 109 17.986 31.895 -4.054 1.00 56.50 C +ATOM 836 CG PRO A 109 17.007 31.935 -5.184 1.00 56.55 C +ATOM 837 CD PRO A 109 16.289 33.210 -4.947 1.00 56.64 C +ATOM 838 N MET A 110 18.562 32.284 -0.894 1.00 57.07 N +ATOM 839 CA MET A 110 19.411 32.816 0.169 1.00 56.87 C +ATOM 840 C MET A 110 20.857 32.829 -0.317 1.00 58.14 C +ATOM 841 O MET A 110 21.219 32.107 -1.246 1.00 57.71 O +ATOM 842 CB MET A 110 19.357 31.931 1.424 1.00 55.30 C +ATOM 843 CG MET A 110 18.129 32.060 2.307 1.00 54.40 C +ATOM 844 SD MET A 110 18.250 31.035 3.826 1.00 52.63 S +ATOM 845 CE MET A 110 18.349 32.267 5.104 1.00 53.80 C +ATOM 846 N THR A 111 21.687 33.644 0.323 1.00 59.58 N +ATOM 847 CA THR A 111 23.094 33.702 -0.034 1.00 61.16 C +ATOM 848 C THR A 111 23.653 32.344 0.343 1.00 61.38 C +ATOM 849 O THR A 111 23.394 31.852 1.444 1.00 61.98 O +ATOM 850 CB THR A 111 23.852 34.779 0.786 1.00 62.83 C +ATOM 851 OG1 THR A 111 23.376 36.083 0.423 1.00 61.98 O +ATOM 852 CG2 THR A 111 25.374 34.692 0.531 1.00 63.65 C +ATOM 853 N PRO A 112 24.427 31.720 -0.558 1.00 61.69 N +ATOM 854 CA PRO A 112 25.018 30.402 -0.288 1.00 62.07 C +ATOM 855 C PRO A 112 25.468 30.270 1.169 1.00 63.01 C +ATOM 856 O PRO A 112 25.116 29.310 1.863 1.00 62.96 O +ATOM 857 CB PRO A 112 26.198 30.353 -1.250 1.00 61.32 C +ATOM 858 CG PRO A 112 25.679 31.117 -2.432 1.00 61.20 C +ATOM 859 CD PRO A 112 24.978 32.303 -1.794 1.00 61.16 C +ATOM 860 N LYS A 113 26.234 31.255 1.630 1.00 63.71 N +ATOM 861 CA LYS A 113 26.735 31.241 2.995 1.00 64.11 C +ATOM 862 C LYS A 113 25.617 31.456 3.986 1.00 63.53 C +ATOM 863 O LYS A 113 25.565 30.794 5.020 1.00 63.52 O +ATOM 864 CB LYS A 113 27.828 32.294 3.168 1.00 65.03 C +ATOM 865 CG LYS A 113 29.023 32.010 2.268 1.00 67.63 C +ATOM 866 CD LYS A 113 30.184 32.939 2.546 1.00 68.85 C +ATOM 867 CE LYS A 113 31.377 32.583 1.681 1.00 68.06 C +ATOM 868 NZ LYS A 113 32.556 33.395 2.062 1.00 67.00 N +ATOM 869 N ARG A 114 24.715 32.379 3.691 1.00 62.92 N +ATOM 870 CA ARG A 114 23.625 32.566 4.619 1.00 62.95 C +ATOM 871 C ARG A 114 22.965 31.189 4.714 1.00 62.58 C +ATOM 872 O ARG A 114 22.866 30.603 5.801 1.00 62.39 O +ATOM 873 CB ARG A 114 22.636 33.616 4.095 1.00 63.52 C +ATOM 874 CG ARG A 114 21.412 33.808 5.001 1.00 64.47 C +ATOM 875 CD ARG A 114 21.727 33.423 6.457 1.00 65.90 C +ATOM 876 NE ARG A 114 20.632 33.721 7.380 1.00 67.68 N +ATOM 877 CZ ARG A 114 20.582 33.304 8.646 1.00 67.66 C +ATOM 878 NH1 ARG A 114 21.568 32.556 9.142 1.00 67.51 N +ATOM 879 NH2 ARG A 114 19.559 33.654 9.424 1.00 66.33 N +ATOM 880 N ALA A 115 22.553 30.674 3.553 1.00 61.19 N +ATOM 881 CA ALA A 115 21.904 29.370 3.431 1.00 59.55 C +ATOM 882 C ALA A 115 22.635 28.277 4.211 1.00 58.64 C +ATOM 883 O ALA A 115 22.081 27.688 5.137 1.00 57.85 O +ATOM 884 CB ALA A 115 21.819 28.987 1.970 1.00 60.02 C +ATOM 885 N ILE A 116 23.872 28.000 3.815 1.00 57.68 N +ATOM 886 CA ILE A 116 24.677 26.994 4.492 1.00 57.90 C +ATOM 887 C ILE A 116 24.515 27.151 6.002 1.00 57.94 C +ATOM 888 O ILE A 116 24.300 26.175 6.729 1.00 57.51 O +ATOM 889 CB ILE A 116 26.178 27.157 4.173 1.00 57.77 C +ATOM 890 CG1 ILE A 116 26.441 26.912 2.693 1.00 57.72 C +ATOM 891 CG2 ILE A 116 26.986 26.167 4.982 1.00 56.91 C +ATOM 892 CD1 ILE A 116 27.895 27.047 2.325 1.00 58.41 C +ATOM 893 N GLU A 117 24.627 28.393 6.461 1.00 57.60 N +ATOM 894 CA GLU A 117 24.514 28.698 7.873 1.00 57.11 C +ATOM 895 C GLU A 117 23.223 28.131 8.471 1.00 56.41 C +ATOM 896 O GLU A 117 23.261 27.303 9.383 1.00 55.33 O +ATOM 897 CB GLU A 117 24.633 30.222 8.088 1.00 59.01 C +ATOM 898 CG GLU A 117 26.113 30.718 8.194 1.00 62.45 C +ATOM 899 CD GLU A 117 26.294 32.261 8.182 1.00 64.12 C +ATOM 900 OE1 GLU A 117 25.526 32.970 8.889 1.00 63.59 O +ATOM 901 OE2 GLU A 117 27.222 32.752 7.475 1.00 62.43 O +ATOM 902 N VAL A 118 22.080 28.549 7.944 1.00 56.26 N +ATOM 903 CA VAL A 118 20.792 28.069 8.452 1.00 55.32 C +ATOM 904 C VAL A 118 20.725 26.539 8.557 1.00 54.42 C +ATOM 905 O VAL A 118 20.767 25.983 9.654 1.00 54.29 O +ATOM 906 CB VAL A 118 19.641 28.547 7.547 1.00 55.13 C +ATOM 907 CG1 VAL A 118 18.308 28.130 8.126 1.00 53.83 C +ATOM 908 CG2 VAL A 118 19.714 30.048 7.384 1.00 55.74 C +ATOM 909 N ILE A 119 20.624 25.872 7.409 1.00 52.83 N +ATOM 910 CA ILE A 119 20.540 24.415 7.349 1.00 51.51 C +ATOM 911 C ILE A 119 21.523 23.657 8.240 1.00 49.47 C +ATOM 912 O ILE A 119 21.224 22.555 8.697 1.00 47.31 O +ATOM 913 CB ILE A 119 20.677 23.933 5.886 1.00 52.29 C +ATOM 914 CG1 ILE A 119 19.288 23.784 5.270 1.00 51.04 C +ATOM 915 CG2 ILE A 119 21.421 22.607 5.823 1.00 54.05 C +ATOM 916 CD1 ILE A 119 18.417 24.978 5.459 1.00 50.32 C +ATOM 917 N ALA A 120 22.694 24.237 8.473 1.00 48.49 N +ATOM 918 CA ALA A 120 23.678 23.602 9.329 1.00 47.80 C +ATOM 919 C ALA A 120 23.097 23.610 10.729 1.00 48.57 C +ATOM 920 O ALA A 120 23.236 22.641 11.471 1.00 49.08 O +ATOM 921 CB ALA A 120 24.964 24.362 9.297 1.00 46.61 C +ATOM 922 N ASP A 121 22.433 24.703 11.092 1.00 49.42 N +ATOM 923 CA ASP A 121 21.812 24.797 12.414 1.00 50.09 C +ATOM 924 C ASP A 121 20.647 23.826 12.503 1.00 49.25 C +ATOM 925 O ASP A 121 20.422 23.211 13.542 1.00 49.02 O +ATOM 926 CB ASP A 121 21.291 26.213 12.693 1.00 52.87 C +ATOM 927 CG ASP A 121 22.406 27.247 12.796 1.00 56.71 C +ATOM 928 OD1 ASP A 121 23.589 26.844 12.949 1.00 59.83 O +ATOM 929 OD2 ASP A 121 22.096 28.463 12.736 1.00 57.78 O +ATOM 930 N ALA A 122 19.902 23.698 11.408 1.00 49.65 N +ATOM 931 CA ALA A 122 18.762 22.792 11.365 1.00 48.43 C +ATOM 932 C ALA A 122 19.261 21.388 11.580 1.00 48.08 C +ATOM 933 O ALA A 122 18.618 20.621 12.275 1.00 48.17 O +ATOM 934 CB ALA A 122 18.054 22.890 10.039 1.00 48.68 C +ATOM 935 N CYS A 123 20.405 21.055 10.982 1.00 47.88 N +ATOM 936 CA CYS A 123 20.996 19.732 11.142 1.00 48.32 C +ATOM 937 C CYS A 123 21.203 19.457 12.624 1.00 49.00 C +ATOM 938 O CYS A 123 20.817 18.410 13.154 1.00 48.55 O +ATOM 939 CB CYS A 123 22.348 19.661 10.452 1.00 48.84 C +ATOM 940 SG CYS A 123 22.340 19.619 8.647 1.00 54.94 S +ATOM 941 N GLN A 124 21.826 20.417 13.293 1.00 49.54 N +ATOM 942 CA GLN A 124 22.101 20.301 14.718 1.00 50.58 C +ATOM 943 C GLN A 124 20.836 19.918 15.486 1.00 50.12 C +ATOM 944 O GLN A 124 20.895 19.159 16.451 1.00 51.00 O +ATOM 945 CB GLN A 124 22.652 21.629 15.242 1.00 52.43 C +ATOM 946 CG GLN A 124 23.435 21.548 16.538 1.00 52.99 C +ATOM 947 CD GLN A 124 23.969 22.911 16.941 1.00 55.59 C +ATOM 948 OE1 GLN A 124 24.492 23.646 16.098 1.00 54.47 O +ATOM 949 NE2 GLN A 124 23.842 23.260 18.232 1.00 55.88 N +ATOM 950 N ALA A 125 19.691 20.439 15.060 1.00 48.72 N +ATOM 951 CA ALA A 125 18.443 20.130 15.740 1.00 47.64 C +ATOM 952 C ALA A 125 17.992 18.704 15.449 1.00 47.36 C +ATOM 953 O ALA A 125 17.557 17.984 16.344 1.00 47.43 O +ATOM 954 CB ALA A 125 17.370 21.109 15.330 1.00 45.57 C +ATOM 955 N LEU A 126 18.101 18.287 14.198 1.00 47.07 N +ATOM 956 CA LEU A 126 17.676 16.944 13.841 1.00 48.19 C +ATOM 957 C LEU A 126 18.594 15.874 14.408 1.00 48.75 C +ATOM 958 O LEU A 126 18.122 14.822 14.847 1.00 49.21 O +ATOM 959 CB LEU A 126 17.582 16.802 12.322 1.00 47.62 C +ATOM 960 CG LEU A 126 16.487 17.657 11.697 1.00 46.08 C +ATOM 961 CD1 LEU A 126 16.553 17.564 10.188 1.00 46.71 C +ATOM 962 CD2 LEU A 126 15.144 17.192 12.223 1.00 46.00 C +ATOM 963 N ASN A 127 19.898 16.133 14.407 1.00 48.05 N +ATOM 964 CA ASN A 127 20.837 15.158 14.940 1.00 48.74 C +ATOM 965 C ASN A 127 20.455 14.875 16.393 1.00 48.97 C +ATOM 966 O ASN A 127 20.448 13.726 16.840 1.00 48.66 O +ATOM 967 CB ASN A 127 22.267 15.693 14.853 1.00 49.67 C +ATOM 968 CG ASN A 127 23.303 14.673 15.298 1.00 50.94 C +ATOM 969 OD1 ASN A 127 23.362 13.558 14.771 1.00 52.35 O +ATOM 970 ND2 ASN A 127 24.129 15.053 16.272 1.00 51.27 N +ATOM 971 N PHE A 128 20.126 15.937 17.121 1.00 49.01 N +ATOM 972 CA PHE A 128 19.718 15.816 18.516 1.00 49.13 C +ATOM 973 C PHE A 128 18.441 14.990 18.565 1.00 48.92 C +ATOM 974 O PHE A 128 18.372 13.984 19.260 1.00 49.14 O +ATOM 975 CB PHE A 128 19.451 17.197 19.128 1.00 49.03 C +ATOM 976 CG PHE A 128 19.081 17.149 20.584 1.00 48.02 C +ATOM 977 CD1 PHE A 128 20.052 16.992 21.558 1.00 47.91 C +ATOM 978 CD2 PHE A 128 17.753 17.219 20.981 1.00 48.34 C +ATOM 979 CE1 PHE A 128 19.695 16.906 22.900 1.00 47.94 C +ATOM 980 CE2 PHE A 128 17.394 17.133 22.326 1.00 45.91 C +ATOM 981 CZ PHE A 128 18.360 16.977 23.278 1.00 45.77 C +ATOM 982 N SER A 129 17.438 15.437 17.814 1.00 49.71 N +ATOM 983 CA SER A 129 16.144 14.759 17.723 1.00 50.41 C +ATOM 984 C SER A 129 16.313 13.274 17.447 1.00 49.89 C +ATOM 985 O SER A 129 15.518 12.443 17.912 1.00 50.36 O +ATOM 986 CB SER A 129 15.305 15.373 16.596 1.00 51.87 C +ATOM 987 OG SER A 129 14.103 14.643 16.380 1.00 51.70 O +ATOM 988 N HIS A 130 17.347 12.947 16.679 1.00 47.93 N +ATOM 989 CA HIS A 130 17.616 11.568 16.342 1.00 47.55 C +ATOM 990 C HIS A 130 18.129 10.777 17.541 1.00 47.31 C +ATOM 991 O HIS A 130 17.546 9.757 17.910 1.00 46.07 O +ATOM 992 CB HIS A 130 18.594 11.522 15.167 1.00 46.53 C +ATOM 993 CG HIS A 130 17.978 11.941 13.864 1.00 46.78 C +ATOM 994 ND1 HIS A 130 18.721 12.197 12.731 1.00 46.56 N +ATOM 995 CD2 HIS A 130 16.686 12.166 13.522 1.00 45.98 C +ATOM 996 CE1 HIS A 130 17.915 12.567 11.752 1.00 44.84 C +ATOM 997 NE2 HIS A 130 16.675 12.557 12.206 1.00 44.36 N +ATOM 998 N GLN A 131 19.195 11.270 18.165 1.00 48.42 N +ATOM 999 CA GLN A 131 19.799 10.616 19.323 1.00 49.78 C +ATOM 1000 C GLN A 131 18.824 10.441 20.474 1.00 49.41 C +ATOM 1001 O GLN A 131 19.108 9.731 21.433 1.00 49.50 O +ATOM 1002 CB GLN A 131 21.017 11.409 19.798 1.00 51.43 C +ATOM 1003 CG GLN A 131 22.073 11.587 18.711 1.00 56.60 C +ATOM 1004 CD GLN A 131 23.336 12.286 19.203 1.00 59.58 C +ATOM 1005 OE1 GLN A 131 23.307 13.463 19.597 1.00 61.01 O +ATOM 1006 NE2 GLN A 131 24.458 11.560 19.179 1.00 60.11 N +ATOM 1007 N ASN A 132 17.672 11.093 20.371 1.00 49.38 N +ATOM 1008 CA ASN A 132 16.642 11.008 21.393 1.00 49.25 C +ATOM 1009 C ASN A 132 15.524 10.099 20.919 1.00 49.34 C +ATOM 1010 O ASN A 132 14.447 10.039 21.519 1.00 47.96 O +ATOM 1011 CB ASN A 132 16.096 12.393 21.690 1.00 50.61 C +ATOM 1012 CG ASN A 132 17.122 13.278 22.343 1.00 51.96 C +ATOM 1013 OD1 ASN A 132 17.429 13.113 23.523 1.00 54.03 O +ATOM 1014 ND2 ASN A 132 17.671 14.219 21.582 1.00 51.33 N +ATOM 1015 N GLY A 133 15.796 9.404 19.819 1.00 49.56 N +ATOM 1016 CA GLY A 133 14.841 8.464 19.275 1.00 48.79 C +ATOM 1017 C GLY A 133 13.615 9.058 18.632 1.00 48.27 C +ATOM 1018 O GLY A 133 12.577 8.401 18.575 1.00 47.90 O +ATOM 1019 N ILE A 134 13.712 10.296 18.168 1.00 47.30 N +ATOM 1020 CA ILE A 134 12.583 10.908 17.483 1.00 48.43 C +ATOM 1021 C ILE A 134 12.921 11.095 16.004 1.00 50.02 C +ATOM 1022 O ILE A 134 14.056 11.435 15.648 1.00 50.04 O +ATOM 1023 CB ILE A 134 12.202 12.295 18.082 1.00 47.90 C +ATOM 1024 CG1 ILE A 134 10.992 12.169 19.009 1.00 48.08 C +ATOM 1025 CG2 ILE A 134 11.795 13.251 16.985 1.00 45.74 C +ATOM 1026 CD1 ILE A 134 11.234 11.363 20.242 1.00 50.45 C +ATOM 1027 N ILE A 135 11.953 10.837 15.134 1.00 50.76 N +ATOM 1028 CA ILE A 135 12.182 11.065 13.714 1.00 51.83 C +ATOM 1029 C ILE A 135 11.108 12.025 13.230 1.00 53.36 C +ATOM 1030 O ILE A 135 9.905 11.790 13.407 1.00 53.44 O +ATOM 1031 CB ILE A 135 12.131 9.772 12.881 1.00 51.49 C +ATOM 1032 CG1 ILE A 135 13.268 8.839 13.303 1.00 50.08 C +ATOM 1033 CG2 ILE A 135 12.257 10.116 11.397 1.00 49.59 C +ATOM 1034 CD1 ILE A 135 14.646 9.438 13.134 1.00 49.65 C +ATOM 1035 N HIS A 136 11.566 13.129 12.652 1.00 54.50 N +ATOM 1036 CA HIS A 136 10.687 14.173 12.133 1.00 55.77 C +ATOM 1037 C HIS A 136 10.370 13.798 10.697 1.00 56.89 C +ATOM 1038 O HIS A 136 11.104 14.148 9.769 1.00 58.67 O +ATOM 1039 CB HIS A 136 11.421 15.520 12.188 1.00 55.14 C +ATOM 1040 CG HIS A 136 10.555 16.696 11.879 1.00 53.25 C +ATOM 1041 ND1 HIS A 136 10.730 17.919 12.482 1.00 51.97 N +ATOM 1042 CD2 HIS A 136 9.512 16.840 11.030 1.00 53.07 C +ATOM 1043 CE1 HIS A 136 9.832 18.769 12.020 1.00 52.99 C +ATOM 1044 NE2 HIS A 136 9.080 18.138 11.137 1.00 53.65 N +ATOM 1045 N ARG A 137 9.277 13.082 10.505 1.00 56.97 N +ATOM 1046 CA ARG A 137 8.939 12.637 9.167 1.00 57.59 C +ATOM 1047 C ARG A 137 8.405 13.769 8.304 1.00 55.98 C +ATOM 1048 O ARG A 137 7.956 13.548 7.186 1.00 55.87 O +ATOM 1049 CB ARG A 137 7.912 11.514 9.273 1.00 60.94 C +ATOM 1050 CG ARG A 137 8.364 10.331 10.139 1.00 64.32 C +ATOM 1051 CD ARG A 137 7.154 9.656 10.785 1.00 68.07 C +ATOM 1052 NE ARG A 137 6.034 9.551 9.845 1.00 70.29 N +ATOM 1053 CZ ARG A 137 4.765 9.338 10.192 1.00 72.17 C +ATOM 1054 NH1 ARG A 137 4.413 9.200 11.471 1.00 72.28 N +ATOM 1055 NH2 ARG A 137 3.836 9.276 9.249 1.00 74.26 N +ATOM 1056 N ASP A 138 8.486 14.991 8.812 1.00 54.32 N +ATOM 1057 CA ASP A 138 7.944 16.126 8.085 1.00 52.64 C +ATOM 1058 C ASP A 138 8.884 17.334 8.046 1.00 51.80 C +ATOM 1059 O ASP A 138 8.554 18.404 8.563 1.00 51.95 O +ATOM 1060 CB ASP A 138 6.595 16.486 8.732 1.00 53.10 C +ATOM 1061 CG ASP A 138 5.784 17.483 7.924 1.00 53.44 C +ATOM 1062 OD1 ASP A 138 5.751 17.386 6.677 1.00 52.90 O +ATOM 1063 OD2 ASP A 138 5.149 18.356 8.554 1.00 54.84 O +ATOM 1064 N VAL A 139 10.053 17.171 7.430 1.00 50.44 N +ATOM 1065 CA VAL A 139 10.994 18.279 7.330 1.00 48.59 C +ATOM 1066 C VAL A 139 10.836 19.009 6.010 1.00 49.32 C +ATOM 1067 O VAL A 139 11.208 18.479 4.967 1.00 49.81 O +ATOM 1068 CB VAL A 139 12.448 17.810 7.425 1.00 47.57 C +ATOM 1069 CG1 VAL A 139 13.379 18.972 7.147 1.00 46.46 C +ATOM 1070 CG2 VAL A 139 12.724 17.254 8.795 1.00 47.54 C +ATOM 1071 N LYS A 140 10.280 20.220 6.061 1.00 49.41 N +ATOM 1072 CA LYS A 140 10.085 21.051 4.874 1.00 48.97 C +ATOM 1073 C LYS A 140 10.339 22.520 5.190 1.00 49.53 C +ATOM 1074 O LYS A 140 10.351 22.916 6.351 1.00 50.85 O +ATOM 1075 CB LYS A 140 8.678 20.867 4.314 1.00 49.57 C +ATOM 1076 CG LYS A 140 7.550 20.934 5.323 1.00 51.14 C +ATOM 1077 CD LYS A 140 6.248 20.595 4.613 1.00 53.58 C +ATOM 1078 CE LYS A 140 5.087 20.391 5.568 1.00 55.57 C +ATOM 1079 NZ LYS A 140 3.932 19.743 4.868 1.00 56.85 N +ATOM 1080 N PRO A 141 10.524 23.357 4.158 1.00 49.97 N +ATOM 1081 CA PRO A 141 10.789 24.792 4.312 1.00 48.73 C +ATOM 1082 C PRO A 141 9.785 25.536 5.156 1.00 48.45 C +ATOM 1083 O PRO A 141 10.029 26.664 5.555 1.00 50.93 O +ATOM 1084 CB PRO A 141 10.789 25.306 2.880 1.00 49.16 C +ATOM 1085 CG PRO A 141 11.182 24.117 2.086 1.00 50.57 C +ATOM 1086 CD PRO A 141 10.378 23.023 2.735 1.00 50.75 C +ATOM 1087 N ALA A 142 8.649 24.914 5.420 1.00 47.64 N +ATOM 1088 CA ALA A 142 7.623 25.560 6.214 1.00 47.21 C +ATOM 1089 C ALA A 142 7.695 25.180 7.689 1.00 47.27 C +ATOM 1090 O ALA A 142 6.963 25.741 8.511 1.00 48.26 O +ATOM 1091 CB ALA A 142 6.247 25.225 5.647 1.00 48.00 C +ATOM 1092 N ASN A 143 8.569 24.234 8.031 1.00 45.18 N +ATOM 1093 CA ASN A 143 8.691 23.821 9.418 1.00 43.09 C +ATOM 1094 C ASN A 143 9.984 24.240 10.076 1.00 42.53 C +ATOM 1095 O ASN A 143 10.294 23.797 11.180 1.00 42.45 O +ATOM 1096 CB ASN A 143 8.495 22.318 9.556 1.00 43.70 C +ATOM 1097 CG ASN A 143 7.054 21.911 9.346 1.00 44.52 C +ATOM 1098 OD1 ASN A 143 6.130 22.653 9.699 1.00 42.71 O +ATOM 1099 ND2 ASN A 143 6.850 20.727 8.783 1.00 44.52 N +ATOM 1100 N ILE A 144 10.744 25.082 9.383 1.00 40.60 N +ATOM 1101 CA ILE A 144 11.981 25.629 9.922 1.00 39.61 C +ATOM 1102 C ILE A 144 11.721 27.131 9.994 1.00 39.40 C +ATOM 1103 O ILE A 144 11.327 27.741 9.005 1.00 39.28 O +ATOM 1104 CB ILE A 144 13.209 25.359 9.001 1.00 40.01 C +ATOM 1105 CG1 ILE A 144 13.733 23.942 9.197 1.00 39.95 C +ATOM 1106 CG2 ILE A 144 14.353 26.279 9.364 1.00 39.14 C +ATOM 1107 CD1 ILE A 144 12.779 22.867 8.800 1.00 42.80 C +ATOM 1108 N MET A 145 11.902 27.725 11.167 1.00 39.25 N +ATOM 1109 CA MET A 145 11.679 29.151 11.317 1.00 40.42 C +ATOM 1110 C MET A 145 12.982 29.903 11.528 1.00 41.02 C +ATOM 1111 O MET A 145 13.963 29.360 12.013 1.00 40.90 O +ATOM 1112 CB MET A 145 10.725 29.442 12.490 1.00 41.19 C +ATOM 1113 CG MET A 145 9.238 29.271 12.162 1.00 43.82 C +ATOM 1114 SD MET A 145 8.066 29.751 13.482 1.00 45.46 S +ATOM 1115 CE MET A 145 7.543 31.338 12.937 1.00 43.86 C +ATOM 1116 N ILE A 146 12.980 31.167 11.137 1.00 41.99 N +ATOM 1117 CA ILE A 146 14.134 32.029 11.305 1.00 41.99 C +ATOM 1118 C ILE A 146 13.743 33.135 12.283 1.00 42.77 C +ATOM 1119 O ILE A 146 13.015 34.059 11.936 1.00 42.83 O +ATOM 1120 CB ILE A 146 14.573 32.648 9.954 1.00 41.72 C +ATOM 1121 CG1 ILE A 146 15.311 31.602 9.121 1.00 42.48 C +ATOM 1122 CG2 ILE A 146 15.469 33.845 10.182 1.00 41.24 C +ATOM 1123 CD1 ILE A 146 16.605 31.134 9.733 1.00 43.45 C +ATOM 1124 N SER A 147 14.214 33.005 13.515 1.00 43.29 N +ATOM 1125 CA SER A 147 13.959 33.975 14.562 1.00 45.16 C +ATOM 1126 C SER A 147 14.254 35.404 14.102 1.00 47.09 C +ATOM 1127 O SER A 147 15.038 35.628 13.181 1.00 47.71 O +ATOM 1128 CB SER A 147 14.828 33.634 15.768 1.00 46.41 C +ATOM 1129 OG SER A 147 14.875 34.701 16.694 1.00 49.61 O +ATOM 1130 N ALA A 148 13.633 36.377 14.755 1.00 49.48 N +ATOM 1131 CA ALA A 148 13.843 37.779 14.401 1.00 50.90 C +ATOM 1132 C ALA A 148 15.292 38.216 14.631 1.00 51.78 C +ATOM 1133 O ALA A 148 15.675 39.346 14.323 1.00 52.22 O +ATOM 1134 CB ALA A 148 12.896 38.665 15.200 1.00 51.45 C +ATOM 1135 N THR A 149 16.096 37.316 15.181 1.00 52.54 N +ATOM 1136 CA THR A 149 17.501 37.601 15.434 1.00 52.08 C +ATOM 1137 C THR A 149 18.317 36.582 14.632 1.00 52.05 C +ATOM 1138 O THR A 149 19.431 36.224 15.010 1.00 52.41 O +ATOM 1139 CB THR A 149 17.832 37.484 16.957 1.00 52.80 C +ATOM 1140 OG1 THR A 149 17.897 36.104 17.350 1.00 52.48 O +ATOM 1141 CG2 THR A 149 16.757 38.176 17.782 1.00 51.21 C +ATOM 1142 N ASN A 150 17.735 36.112 13.529 1.00 51.94 N +ATOM 1143 CA ASN A 150 18.368 35.130 12.648 1.00 52.05 C +ATOM 1144 C ASN A 150 18.724 33.773 13.255 1.00 50.58 C +ATOM 1145 O ASN A 150 19.694 33.147 12.832 1.00 49.58 O +ATOM 1146 CB ASN A 150 19.614 35.732 12.001 1.00 53.82 C +ATOM 1147 CG ASN A 150 19.271 36.799 10.985 1.00 56.91 C +ATOM 1148 OD1 ASN A 150 18.590 36.523 9.984 1.00 57.99 O +ATOM 1149 ND2 ASN A 150 19.728 38.031 11.233 1.00 56.21 N +ATOM 1150 N ALA A 151 17.933 33.328 14.233 1.00 49.67 N +ATOM 1151 CA ALA A 151 18.123 32.033 14.894 1.00 47.94 C +ATOM 1152 C ALA A 151 17.219 30.999 14.211 1.00 47.09 C +ATOM 1153 O ALA A 151 16.148 31.333 13.708 1.00 47.79 O +ATOM 1154 CB ALA A 151 17.774 32.144 16.360 1.00 45.92 C +ATOM 1155 N VAL A 152 17.646 29.745 14.184 1.00 45.19 N +ATOM 1156 CA VAL A 152 16.860 28.707 13.526 1.00 43.71 C +ATOM 1157 C VAL A 152 16.015 27.915 14.495 1.00 43.44 C +ATOM 1158 O VAL A 152 16.468 27.562 15.577 1.00 45.12 O +ATOM 1159 CB VAL A 152 17.761 27.718 12.746 1.00 43.27 C +ATOM 1160 CG1 VAL A 152 16.960 26.527 12.290 1.00 42.45 C +ATOM 1161 CG2 VAL A 152 18.362 28.401 11.547 1.00 43.31 C +ATOM 1162 N LYS A 153 14.781 27.635 14.096 1.00 42.44 N +ATOM 1163 CA LYS A 153 13.867 26.871 14.920 1.00 41.53 C +ATOM 1164 C LYS A 153 13.162 25.869 14.032 1.00 41.71 C +ATOM 1165 O LYS A 153 12.655 26.221 12.979 1.00 42.00 O +ATOM 1166 CB LYS A 153 12.817 27.779 15.572 1.00 40.93 C +ATOM 1167 CG LYS A 153 13.360 28.862 16.474 1.00 39.51 C +ATOM 1168 CD LYS A 153 13.973 28.299 17.707 1.00 37.40 C +ATOM 1169 CE LYS A 153 14.436 29.412 18.587 1.00 36.80 C +ATOM 1170 NZ LYS A 153 14.623 28.935 19.977 1.00 38.10 N +ATOM 1171 N VAL A 154 13.150 24.616 14.464 1.00 42.57 N +ATOM 1172 CA VAL A 154 12.487 23.542 13.743 1.00 43.44 C +ATOM 1173 C VAL A 154 11.222 23.329 14.567 1.00 44.57 C +ATOM 1174 O VAL A 154 11.300 23.229 15.787 1.00 42.14 O +ATOM 1175 CB VAL A 154 13.384 22.294 13.725 1.00 43.00 C +ATOM 1176 CG1 VAL A 154 12.675 21.134 13.081 1.00 41.72 C +ATOM 1177 CG2 VAL A 154 14.652 22.611 12.972 1.00 40.33 C +ATOM 1178 N MET A 155 10.063 23.248 13.914 1.00 47.27 N +ATOM 1179 CA MET A 155 8.825 23.152 14.678 1.00 50.51 C +ATOM 1180 C MET A 155 7.663 22.177 14.451 1.00 52.38 C +ATOM 1181 O MET A 155 6.767 22.126 15.304 1.00 54.76 O +ATOM 1182 CB MET A 155 8.223 24.552 14.753 1.00 48.97 C +ATOM 1183 CG MET A 155 8.383 25.312 13.479 1.00 49.40 C +ATOM 1184 SD MET A 155 7.101 26.505 13.264 1.00 49.63 S +ATOM 1185 CE MET A 155 6.069 25.651 12.082 1.00 49.86 C +ATOM 1186 N ASP A 156 7.605 21.403 13.377 1.00 52.44 N +ATOM 1187 CA ASP A 156 6.416 20.564 13.294 1.00 53.47 C +ATOM 1188 C ASP A 156 6.626 19.092 13.563 1.00 53.16 C +ATOM 1189 O ASP A 156 7.388 18.441 12.885 1.00 53.44 O +ATOM 1190 CB ASP A 156 5.723 20.751 11.953 1.00 56.35 C +ATOM 1191 CG ASP A 156 4.211 20.656 12.072 1.00 58.70 C +ATOM 1192 OD1 ASP A 156 3.766 20.157 13.125 1.00 59.57 O +ATOM 1193 OD2 ASP A 156 3.478 21.063 11.130 1.00 60.68 O +ATOM 1194 N PHE A 157 5.931 18.561 14.559 1.00 53.41 N +ATOM 1195 CA PHE A 157 6.073 17.149 14.918 1.00 53.94 C +ATOM 1196 C PHE A 157 4.787 16.342 14.775 1.00 53.90 C +ATOM 1197 O PHE A 157 4.737 15.172 15.151 1.00 53.80 O +ATOM 1198 CB PHE A 157 6.614 17.030 16.353 1.00 53.64 C +ATOM 1199 CG PHE A 157 8.113 17.216 16.449 1.00 55.17 C +ATOM 1200 CD1 PHE A 157 8.983 16.151 16.191 1.00 54.94 C +ATOM 1201 CD2 PHE A 157 8.664 18.472 16.705 1.00 53.75 C +ATOM 1202 CE1 PHE A 157 10.382 16.340 16.180 1.00 52.28 C +ATOM 1203 CE2 PHE A 157 10.055 18.658 16.693 1.00 52.95 C +ATOM 1204 CZ PHE A 157 10.910 17.586 16.427 1.00 51.11 C +ATOM 1205 N GLY A 158 3.757 16.971 14.214 1.00 53.73 N +ATOM 1206 CA GLY A 158 2.473 16.317 14.035 1.00 53.12 C +ATOM 1207 C GLY A 158 2.499 14.984 13.311 1.00 53.72 C +ATOM 1208 O GLY A 158 1.582 14.177 13.466 1.00 54.64 O +ATOM 1209 N ILE A 159 3.544 14.744 12.526 1.00 53.32 N +ATOM 1210 CA ILE A 159 3.681 13.502 11.763 1.00 52.92 C +ATOM 1211 C ILE A 159 4.972 12.776 12.166 1.00 53.35 C +ATOM 1212 O ILE A 159 5.470 11.918 11.440 1.00 52.82 O +ATOM 1213 CB ILE A 159 3.666 13.815 10.215 1.00 52.33 C +ATOM 1214 CG1 ILE A 159 2.233 14.099 9.760 1.00 53.53 C +ATOM 1215 CG2 ILE A 159 4.225 12.667 9.396 1.00 49.95 C +ATOM 1216 CD1 ILE A 159 1.557 15.294 10.455 1.00 54.74 C +ATOM 1217 N ALA A 160 5.507 13.110 13.337 1.00 53.96 N +ATOM 1218 CA ALA A 160 6.745 12.477 13.781 1.00 56.52 C +ATOM 1219 C ALA A 160 6.506 11.277 14.685 1.00 57.29 C +ATOM 1220 O ALA A 160 5.672 11.320 15.585 1.00 56.49 O +ATOM 1221 CB ALA A 160 7.644 13.501 14.484 1.00 57.10 C +ATOM 1222 N ARG A 161 7.251 10.206 14.432 1.00 59.66 N +ATOM 1223 CA ARG A 161 7.121 8.980 15.215 1.00 63.10 C +ATOM 1224 C ARG A 161 8.417 8.611 15.948 1.00 63.95 C +ATOM 1225 O ARG A 161 9.499 8.556 15.351 1.00 64.55 O +ATOM 1226 CB ARG A 161 6.656 7.823 14.303 1.00 64.57 C +ATOM 1227 CG ARG A 161 5.136 7.821 14.034 1.00 66.77 C +ATOM 1228 CD ARG A 161 4.699 6.733 13.057 1.00 69.58 C +ATOM 1229 NE ARG A 161 3.239 6.620 12.959 1.00 72.05 N +ATOM 1230 CZ ARG A 161 2.581 5.879 12.058 1.00 72.70 C +ATOM 1231 NH1 ARG A 161 3.243 5.164 11.145 1.00 72.04 N +ATOM 1232 NH2 ARG A 161 1.248 5.843 12.075 1.00 72.62 N +ATOM 1233 N ALA A 162 8.300 8.362 17.250 1.00 64.52 N +ATOM 1234 CA ALA A 162 9.456 8.011 18.074 1.00 65.30 C +ATOM 1235 C ALA A 162 9.879 6.540 17.989 1.00 66.01 C +ATOM 1236 O ALA A 162 9.124 5.640 18.384 1.00 65.37 O +ATOM 1237 CB ALA A 162 9.181 8.380 19.525 1.00 65.65 C +ATOM 1238 N ILE A 163 11.094 6.320 17.475 1.00 66.65 N +ATOM 1239 CA ILE A 163 11.692 4.989 17.326 1.00 66.96 C +ATOM 1240 C ILE A 163 11.234 4.022 18.425 1.00 67.95 C +ATOM 1241 O ILE A 163 11.120 2.813 18.200 1.00 68.80 O +ATOM 1242 CB ILE A 163 13.246 5.078 17.375 1.00 66.61 C +ATOM 1243 CG1 ILE A 163 13.771 5.756 16.107 1.00 64.65 C +ATOM 1244 CG2 ILE A 163 13.855 3.680 17.582 1.00 67.00 C +ATOM 1245 CD1 ILE A 163 15.281 5.903 16.079 1.00 62.22 C +ATOM 1246 N THR A 179 1.592 16.789 -0.900 1.00 74.70 N +ATOM 1247 CA THR A 179 2.732 17.647 -0.565 1.00 74.78 C +ATOM 1248 C THR A 179 3.968 16.798 -0.300 1.00 73.39 C +ATOM 1249 O THR A 179 4.454 16.700 0.843 1.00 73.55 O +ATOM 1250 CB THR A 179 2.455 18.508 0.693 1.00 76.16 C +ATOM 1251 OG1 THR A 179 1.292 19.324 0.465 1.00 77.75 O +ATOM 1252 CG2 THR A 179 3.678 19.407 1.020 1.00 75.21 C +ATOM 1253 N ALA A 180 4.468 16.184 -1.366 1.00 70.78 N +ATOM 1254 CA ALA A 180 5.643 15.341 -1.267 1.00 68.70 C +ATOM 1255 C ALA A 180 6.871 15.950 -1.949 1.00 66.53 C +ATOM 1256 O ALA A 180 7.824 15.242 -2.269 1.00 65.75 O +ATOM 1257 CB ALA A 180 5.337 13.978 -1.864 1.00 69.92 C +ATOM 1258 N GLN A 181 6.861 17.258 -2.169 1.00 64.23 N +ATOM 1259 CA GLN A 181 7.998 17.874 -2.824 1.00 61.92 C +ATOM 1260 C GLN A 181 9.243 17.614 -2.015 1.00 60.35 C +ATOM 1261 O GLN A 181 10.337 17.615 -2.557 1.00 61.69 O +ATOM 1262 CB GLN A 181 7.817 19.383 -2.967 1.00 62.45 C +ATOM 1263 CG GLN A 181 6.665 19.808 -3.846 1.00 65.08 C +ATOM 1264 CD GLN A 181 6.774 21.272 -4.289 1.00 67.81 C +ATOM 1265 OE1 GLN A 181 7.067 22.161 -3.481 1.00 69.21 O +ATOM 1266 NE2 GLN A 181 6.526 21.526 -5.577 1.00 68.71 N +ATOM 1267 N TYR A 182 9.078 17.371 -0.718 1.00 58.87 N +ATOM 1268 CA TYR A 182 10.230 17.156 0.166 1.00 55.78 C +ATOM 1269 C TYR A 182 10.313 15.778 0.804 1.00 54.66 C +ATOM 1270 O TYR A 182 10.943 15.625 1.845 1.00 54.14 O +ATOM 1271 CB TYR A 182 10.233 18.209 1.284 1.00 53.34 C +ATOM 1272 CG TYR A 182 10.007 19.619 0.794 1.00 50.81 C +ATOM 1273 CD1 TYR A 182 11.042 20.350 0.207 1.00 50.10 C +ATOM 1274 CD2 TYR A 182 8.746 20.209 0.876 1.00 48.07 C +ATOM 1275 CE1 TYR A 182 10.821 21.636 -0.288 1.00 48.30 C +ATOM 1276 CE2 TYR A 182 8.521 21.485 0.384 1.00 47.53 C +ATOM 1277 CZ TYR A 182 9.561 22.194 -0.195 1.00 47.10 C +ATOM 1278 OH TYR A 182 9.342 23.462 -0.668 1.00 45.36 O +ATOM 1279 N LEU A 183 9.687 14.776 0.203 1.00 54.27 N +ATOM 1280 CA LEU A 183 9.759 13.443 0.779 1.00 54.67 C +ATOM 1281 C LEU A 183 10.779 12.547 0.090 1.00 54.93 C +ATOM 1282 O LEU A 183 11.109 12.729 -1.085 1.00 55.08 O +ATOM 1283 CB LEU A 183 8.378 12.786 0.787 1.00 55.02 C +ATOM 1284 CG LEU A 183 7.405 13.553 1.688 1.00 56.39 C +ATOM 1285 CD1 LEU A 183 6.115 12.756 1.891 1.00 55.16 C +ATOM 1286 CD2 LEU A 183 8.088 13.822 3.032 1.00 56.15 C +ATOM 1287 N SER A 184 11.287 11.585 0.850 1.00 55.33 N +ATOM 1288 CA SER A 184 12.292 10.649 0.365 1.00 55.66 C +ATOM 1289 C SER A 184 11.690 9.460 -0.350 1.00 55.94 C +ATOM 1290 O SER A 184 10.578 9.037 -0.046 1.00 54.45 O +ATOM 1291 CB SER A 184 13.125 10.132 1.535 1.00 56.21 C +ATOM 1292 OG SER A 184 12.283 9.538 2.513 1.00 55.47 O +ATOM 1293 N PRO A 185 12.427 8.899 -1.318 1.00 57.15 N +ATOM 1294 CA PRO A 185 11.874 7.742 -2.020 1.00 58.53 C +ATOM 1295 C PRO A 185 11.342 6.781 -0.956 1.00 60.25 C +ATOM 1296 O PRO A 185 10.152 6.472 -0.912 1.00 61.49 O +ATOM 1297 CB PRO A 185 13.083 7.193 -2.767 1.00 56.85 C +ATOM 1298 CG PRO A 185 13.845 8.443 -3.106 1.00 56.66 C +ATOM 1299 CD PRO A 185 13.766 9.248 -1.828 1.00 56.55 C +ATOM 1300 N GLU A 186 12.231 6.341 -0.077 1.00 61.45 N +ATOM 1301 CA GLU A 186 11.862 5.428 0.995 1.00 63.21 C +ATOM 1302 C GLU A 186 10.548 5.833 1.680 1.00 64.68 C +ATOM 1303 O GLU A 186 9.658 5.004 1.884 1.00 65.15 O +ATOM 1304 CB GLU A 186 12.993 5.366 2.032 1.00 62.50 C +ATOM 1305 CG GLU A 186 13.401 6.724 2.606 1.00 60.91 C +ATOM 1306 CD GLU A 186 14.869 7.050 2.382 1.00 60.06 C +ATOM 1307 OE1 GLU A 186 15.292 7.139 1.205 1.00 58.44 O +ATOM 1308 OE2 GLU A 186 15.596 7.218 3.391 1.00 60.58 O +ATOM 1309 N GLN A 187 10.424 7.109 2.030 1.00 66.00 N +ATOM 1310 CA GLN A 187 9.214 7.580 2.703 1.00 67.34 C +ATOM 1311 C GLN A 187 8.083 7.842 1.707 1.00 68.34 C +ATOM 1312 O GLN A 187 6.952 8.141 2.115 1.00 66.88 O +ATOM 1313 CB GLN A 187 9.504 8.861 3.510 1.00 67.51 C +ATOM 1314 CG GLN A 187 8.345 9.295 4.412 1.00 66.97 C +ATOM 1315 CD GLN A 187 8.637 10.548 5.219 1.00 65.88 C +ATOM 1316 OE1 GLN A 187 9.723 10.702 5.783 1.00 66.76 O +ATOM 1317 NE2 GLN A 187 7.658 11.441 5.294 1.00 64.14 N +ATOM 1318 N ALA A 188 8.405 7.733 0.411 1.00 70.06 N +ATOM 1319 CA ALA A 188 7.441 7.950 -0.673 1.00 71.31 C +ATOM 1320 C ALA A 188 6.359 6.898 -0.520 1.00 72.52 C +ATOM 1321 O ALA A 188 5.164 7.207 -0.485 1.00 71.63 O +ATOM 1322 CB ALA A 188 8.126 7.815 -2.036 1.00 70.91 C +ATOM 1323 N ARG A 189 6.799 5.650 -0.437 1.00 74.43 N +ATOM 1324 CA ARG A 189 5.896 4.522 -0.233 1.00 77.09 C +ATOM 1325 C ARG A 189 5.835 4.392 1.303 1.00 77.46 C +ATOM 1326 O ARG A 189 6.193 5.328 2.012 1.00 78.74 O +ATOM 1327 CB ARG A 189 6.510 3.277 -0.884 1.00 78.59 C +ATOM 1328 CG ARG A 189 7.090 3.592 -2.262 1.00 81.70 C +ATOM 1329 CD ARG A 189 7.893 2.442 -2.897 1.00 84.56 C +ATOM 1330 NE ARG A 189 8.399 2.875 -4.206 1.00 86.90 N +ATOM 1331 CZ ARG A 189 8.947 2.077 -5.123 1.00 88.02 C +ATOM 1332 NH1 ARG A 189 9.077 0.766 -4.888 1.00 88.14 N +ATOM 1333 NH2 ARG A 189 9.355 2.591 -6.288 1.00 87.76 N +ATOM 1334 N GLY A 190 5.388 3.267 1.840 1.00 77.98 N +ATOM 1335 CA GLY A 190 5.366 3.159 3.291 1.00 77.69 C +ATOM 1336 C GLY A 190 6.678 2.551 3.767 1.00 78.13 C +ATOM 1337 O GLY A 190 6.791 2.137 4.931 1.00 78.30 O +ATOM 1338 N ASP A 191 7.661 2.502 2.858 1.00 76.89 N +ATOM 1339 CA ASP A 191 8.983 1.924 3.115 1.00 75.91 C +ATOM 1340 C ASP A 191 9.674 2.327 4.427 1.00 75.47 C +ATOM 1341 O ASP A 191 9.064 2.867 5.363 1.00 75.44 O +ATOM 1342 CB ASP A 191 9.939 2.236 1.950 1.00 76.10 C +ATOM 1343 CG ASP A 191 9.548 1.542 0.646 1.00 76.03 C +ATOM 1344 OD1 ASP A 191 9.504 0.288 0.632 1.00 75.84 O +ATOM 1345 OD2 ASP A 191 9.303 2.252 -0.366 1.00 75.07 O +ATOM 1346 N SER A 192 10.974 2.059 4.473 1.00 73.87 N +ATOM 1347 CA SER A 192 11.785 2.355 5.647 1.00 72.86 C +ATOM 1348 C SER A 192 12.013 3.860 5.902 1.00 71.51 C +ATOM 1349 O SER A 192 12.744 4.508 5.138 1.00 71.98 O +ATOM 1350 CB SER A 192 13.142 1.646 5.498 1.00 73.13 C +ATOM 1351 OG SER A 192 13.834 2.100 4.337 1.00 72.74 O +ATOM 1352 N VAL A 193 11.411 4.416 6.960 1.00 68.30 N +ATOM 1353 CA VAL A 193 11.621 5.839 7.261 1.00 66.62 C +ATOM 1354 C VAL A 193 12.457 6.052 8.517 1.00 64.86 C +ATOM 1355 O VAL A 193 11.968 5.875 9.632 1.00 65.62 O +ATOM 1356 CB VAL A 193 10.295 6.600 7.439 1.00 67.01 C +ATOM 1357 CG1 VAL A 193 10.571 8.050 7.835 1.00 65.73 C +ATOM 1358 CG2 VAL A 193 9.512 6.561 6.147 1.00 68.04 C +ATOM 1359 N ASP A 194 13.706 6.469 8.335 1.00 62.16 N +ATOM 1360 CA ASP A 194 14.605 6.674 9.460 1.00 58.90 C +ATOM 1361 C ASP A 194 15.385 7.987 9.428 1.00 56.91 C +ATOM 1362 O ASP A 194 15.021 8.947 8.756 1.00 55.29 O +ATOM 1363 CB ASP A 194 15.586 5.509 9.520 1.00 59.02 C +ATOM 1364 CG ASP A 194 16.532 5.480 8.329 1.00 59.11 C +ATOM 1365 OD1 ASP A 194 16.132 5.921 7.228 1.00 60.62 O +ATOM 1366 OD2 ASP A 194 17.675 5.001 8.485 1.00 59.65 O +ATOM 1367 N ALA A 195 16.475 8.003 10.177 1.00 55.37 N +ATOM 1368 CA ALA A 195 17.331 9.165 10.258 1.00 53.86 C +ATOM 1369 C ALA A 195 17.575 9.709 8.878 1.00 52.80 C +ATOM 1370 O ALA A 195 17.211 10.831 8.568 1.00 53.05 O +ATOM 1371 CB ALA A 195 18.653 8.789 10.903 1.00 54.24 C +ATOM 1372 N ARG A 196 18.188 8.893 8.043 1.00 52.39 N +ATOM 1373 CA ARG A 196 18.511 9.308 6.696 1.00 52.70 C +ATOM 1374 C ARG A 196 17.385 9.938 5.889 1.00 51.82 C +ATOM 1375 O ARG A 196 17.647 10.755 5.002 1.00 51.53 O +ATOM 1376 CB ARG A 196 19.112 8.130 5.951 1.00 54.20 C +ATOM 1377 CG ARG A 196 20.456 7.762 6.503 1.00 54.68 C +ATOM 1378 CD ARG A 196 20.815 6.379 6.072 1.00 57.63 C +ATOM 1379 NE ARG A 196 19.846 5.419 6.580 1.00 58.29 N +ATOM 1380 CZ ARG A 196 19.986 4.107 6.464 1.00 59.65 C +ATOM 1381 NH1 ARG A 196 21.067 3.622 5.855 1.00 59.28 N +ATOM 1382 NH2 ARG A 196 19.048 3.290 6.949 1.00 59.17 N +ATOM 1383 N SER A 197 16.143 9.563 6.183 1.00 50.41 N +ATOM 1384 CA SER A 197 15.003 10.143 5.476 1.00 49.25 C +ATOM 1385 C SER A 197 15.009 11.655 5.691 1.00 48.17 C +ATOM 1386 O SER A 197 14.900 12.427 4.740 1.00 45.91 O +ATOM 1387 CB SER A 197 13.704 9.555 6.007 1.00 50.39 C +ATOM 1388 OG SER A 197 13.732 8.149 5.889 1.00 50.69 O +ATOM 1389 N ASP A 198 15.136 12.060 6.955 1.00 47.52 N +ATOM 1390 CA ASP A 198 15.196 13.470 7.334 1.00 46.86 C +ATOM 1391 C ASP A 198 16.398 14.083 6.651 1.00 47.24 C +ATOM 1392 O ASP A 198 16.346 15.207 6.159 1.00 47.84 O +ATOM 1393 CB ASP A 198 15.355 13.611 8.843 1.00 46.05 C +ATOM 1394 CG ASP A 198 14.060 13.397 9.587 1.00 45.61 C +ATOM 1395 OD1 ASP A 198 13.265 12.543 9.152 1.00 45.86 O +ATOM 1396 OD2 ASP A 198 13.845 14.071 10.613 1.00 43.66 O +ATOM 1397 N VAL A 199 17.491 13.333 6.634 1.00 46.98 N +ATOM 1398 CA VAL A 199 18.705 13.789 5.984 1.00 46.64 C +ATOM 1399 C VAL A 199 18.400 14.120 4.528 1.00 47.07 C +ATOM 1400 O VAL A 199 18.859 15.137 4.008 1.00 48.03 O +ATOM 1401 CB VAL A 199 19.798 12.715 6.038 1.00 45.45 C +ATOM 1402 CG1 VAL A 199 20.971 13.122 5.167 1.00 45.05 C +ATOM 1403 CG2 VAL A 199 20.257 12.534 7.466 1.00 44.31 C +ATOM 1404 N TYR A 200 17.620 13.262 3.874 1.00 46.61 N +ATOM 1405 CA TYR A 200 17.253 13.481 2.479 1.00 44.50 C +ATOM 1406 C TYR A 200 16.347 14.703 2.356 1.00 43.37 C +ATOM 1407 O TYR A 200 16.420 15.459 1.388 1.00 43.04 O +ATOM 1408 CB TYR A 200 16.519 12.259 1.918 1.00 44.18 C +ATOM 1409 CG TYR A 200 16.121 12.400 0.453 1.00 44.43 C +ATOM 1410 CD1 TYR A 200 17.039 12.154 -0.568 1.00 44.63 C +ATOM 1411 CD2 TYR A 200 14.831 12.787 0.091 1.00 43.21 C +ATOM 1412 CE1 TYR A 200 16.677 12.286 -1.905 1.00 43.11 C +ATOM 1413 CE2 TYR A 200 14.464 12.921 -1.238 1.00 42.39 C +ATOM 1414 CZ TYR A 200 15.390 12.668 -2.230 1.00 42.38 C +ATOM 1415 OH TYR A 200 15.035 12.790 -3.553 1.00 43.44 O +ATOM 1416 N SER A 201 15.478 14.887 3.339 1.00 42.31 N +ATOM 1417 CA SER A 201 14.570 16.007 3.299 1.00 40.68 C +ATOM 1418 C SER A 201 15.362 17.284 3.416 1.00 40.49 C +ATOM 1419 O SER A 201 15.231 18.151 2.571 1.00 40.77 O +ATOM 1420 CB SER A 201 13.535 15.888 4.408 1.00 39.99 C +ATOM 1421 OG SER A 201 12.753 14.726 4.206 1.00 39.43 O +ATOM 1422 N LEU A 202 16.207 17.401 4.435 1.00 40.64 N +ATOM 1423 CA LEU A 202 17.001 18.618 4.586 1.00 40.46 C +ATOM 1424 C LEU A 202 17.751 18.951 3.306 1.00 40.07 C +ATOM 1425 O LEU A 202 18.016 20.115 3.014 1.00 39.34 O +ATOM 1426 CB LEU A 202 17.988 18.493 5.748 1.00 40.97 C +ATOM 1427 CG LEU A 202 17.519 19.135 7.058 1.00 40.68 C +ATOM 1428 CD1 LEU A 202 18.636 19.064 8.073 1.00 39.02 C +ATOM 1429 CD2 LEU A 202 17.121 20.587 6.816 1.00 40.08 C +ATOM 1430 N GLY A 203 18.077 17.919 2.540 1.00 39.90 N +ATOM 1431 CA GLY A 203 18.782 18.120 1.292 1.00 40.87 C +ATOM 1432 C GLY A 203 17.926 18.890 0.314 1.00 41.99 C +ATOM 1433 O GLY A 203 18.427 19.667 -0.495 1.00 43.02 O +ATOM 1434 N CYS A 204 16.623 18.662 0.372 1.00 42.87 N +ATOM 1435 CA CYS A 204 15.715 19.376 -0.506 1.00 44.15 C +ATOM 1436 C CYS A 204 15.708 20.825 -0.039 1.00 43.59 C +ATOM 1437 O CYS A 204 15.926 21.733 -0.829 1.00 44.64 O +ATOM 1438 CB CYS A 204 14.309 18.764 -0.444 1.00 44.29 C +ATOM 1439 SG CYS A 204 14.227 17.097 -1.178 1.00 46.64 S +ATOM 1440 N VAL A 205 15.496 21.037 1.255 1.00 42.99 N +ATOM 1441 CA VAL A 205 15.486 22.384 1.806 1.00 42.80 C +ATOM 1442 C VAL A 205 16.779 23.104 1.418 1.00 43.62 C +ATOM 1443 O VAL A 205 16.753 24.219 0.888 1.00 43.00 O +ATOM 1444 CB VAL A 205 15.348 22.362 3.348 1.00 41.32 C +ATOM 1445 CG1 VAL A 205 15.298 23.771 3.888 1.00 41.46 C +ATOM 1446 CG2 VAL A 205 14.090 21.646 3.746 1.00 40.77 C +ATOM 1447 N LEU A 206 17.914 22.464 1.673 1.00 44.31 N +ATOM 1448 CA LEU A 206 19.195 23.066 1.331 1.00 44.82 C +ATOM 1449 C LEU A 206 19.176 23.440 -0.134 1.00 45.64 C +ATOM 1450 O LEU A 206 19.740 24.452 -0.539 1.00 46.74 O +ATOM 1451 CB LEU A 206 20.340 22.086 1.576 1.00 43.74 C +ATOM 1452 CG LEU A 206 21.695 22.531 1.034 1.00 41.71 C +ATOM 1453 CD1 LEU A 206 22.189 23.725 1.785 1.00 41.71 C +ATOM 1454 CD2 LEU A 206 22.668 21.416 1.179 1.00 42.45 C +ATOM 1455 N TYR A 207 18.503 22.619 -0.926 1.00 45.59 N +ATOM 1456 CA TYR A 207 18.430 22.842 -2.359 1.00 47.03 C +ATOM 1457 C TYR A 207 17.554 24.038 -2.755 1.00 47.09 C +ATOM 1458 O TYR A 207 17.921 24.843 -3.616 1.00 45.69 O +ATOM 1459 CB TYR A 207 17.933 21.562 -3.030 1.00 48.06 C +ATOM 1460 CG TYR A 207 17.979 21.567 -4.541 1.00 49.52 C +ATOM 1461 CD1 TYR A 207 18.767 20.653 -5.232 1.00 50.20 C +ATOM 1462 CD2 TYR A 207 17.196 22.449 -5.279 1.00 51.08 C +ATOM 1463 CE1 TYR A 207 18.768 20.611 -6.620 1.00 52.19 C +ATOM 1464 CE2 TYR A 207 17.186 22.419 -6.664 1.00 52.71 C +ATOM 1465 CZ TYR A 207 17.972 21.497 -7.330 1.00 53.79 C +ATOM 1466 OH TYR A 207 17.944 21.451 -8.705 1.00 56.01 O +ATOM 1467 N GLU A 208 16.398 24.161 -2.123 1.00 47.83 N +ATOM 1468 CA GLU A 208 15.504 25.249 -2.451 1.00 49.54 C +ATOM 1469 C GLU A 208 16.081 26.578 -1.972 1.00 50.26 C +ATOM 1470 O GLU A 208 16.129 27.560 -2.721 1.00 50.38 O +ATOM 1471 CB GLU A 208 14.136 25.001 -1.828 1.00 50.24 C +ATOM 1472 CG GLU A 208 13.016 25.706 -2.554 1.00 52.42 C +ATOM 1473 CD GLU A 208 11.659 25.223 -2.112 1.00 53.49 C +ATOM 1474 OE1 GLU A 208 11.597 24.139 -1.490 1.00 53.16 O +ATOM 1475 OE2 GLU A 208 10.659 25.918 -2.400 1.00 55.12 O +ATOM 1476 N VAL A 209 16.533 26.612 -0.725 1.00 50.25 N +ATOM 1477 CA VAL A 209 17.099 27.832 -0.183 1.00 50.30 C +ATOM 1478 C VAL A 209 18.227 28.314 -1.100 1.00 51.97 C +ATOM 1479 O VAL A 209 18.566 29.501 -1.125 1.00 52.22 O +ATOM 1480 CB VAL A 209 17.628 27.591 1.232 1.00 48.78 C +ATOM 1481 CG1 VAL A 209 18.397 28.779 1.698 1.00 49.31 C +ATOM 1482 CG2 VAL A 209 16.475 27.329 2.172 1.00 47.74 C +ATOM 1483 N LEU A 210 18.787 27.393 -1.880 1.00 52.59 N +ATOM 1484 CA LEU A 210 19.872 27.737 -2.787 1.00 52.88 C +ATOM 1485 C LEU A 210 19.430 28.102 -4.189 1.00 52.65 C +ATOM 1486 O LEU A 210 19.908 29.080 -4.755 1.00 52.70 O +ATOM 1487 CB LEU A 210 20.886 26.599 -2.858 1.00 52.96 C +ATOM 1488 CG LEU A 210 21.823 26.533 -1.656 1.00 53.80 C +ATOM 1489 CD1 LEU A 210 22.686 25.286 -1.739 1.00 53.74 C +ATOM 1490 CD2 LEU A 210 22.681 27.792 -1.622 1.00 53.48 C +ATOM 1491 N THR A 211 18.530 27.323 -4.768 1.00 53.21 N +ATOM 1492 CA THR A 211 18.089 27.639 -6.120 1.00 54.81 C +ATOM 1493 C THR A 211 16.889 28.564 -6.096 1.00 55.79 C +ATOM 1494 O THR A 211 16.870 29.590 -6.781 1.00 56.06 O +ATOM 1495 CB THR A 211 17.691 26.379 -6.913 1.00 54.67 C +ATOM 1496 OG1 THR A 211 16.532 25.785 -6.318 1.00 54.19 O +ATOM 1497 CG2 THR A 211 18.837 25.380 -6.935 1.00 55.23 C +ATOM 1498 N GLY A 212 15.900 28.189 -5.291 1.00 56.21 N +ATOM 1499 CA GLY A 212 14.679 28.952 -5.174 1.00 55.71 C +ATOM 1500 C GLY A 212 13.568 27.975 -5.475 1.00 57.33 C +ATOM 1501 O GLY A 212 12.405 28.352 -5.571 1.00 57.71 O +ATOM 1502 N GLU A 213 13.937 26.704 -5.622 1.00 58.42 N +ATOM 1503 CA GLU A 213 12.981 25.642 -5.927 1.00 59.80 C +ATOM 1504 C GLU A 213 13.445 24.262 -5.487 1.00 59.32 C +ATOM 1505 O GLU A 213 14.633 24.042 -5.270 1.00 59.07 O +ATOM 1506 CB GLU A 213 12.704 25.588 -7.428 1.00 61.71 C +ATOM 1507 CG GLU A 213 11.698 26.605 -7.912 1.00 66.34 C +ATOM 1508 CD GLU A 213 11.163 26.253 -9.286 1.00 68.65 C +ATOM 1509 OE1 GLU A 213 12.005 26.185 -10.220 1.00 70.49 O +ATOM 1510 OE2 GLU A 213 9.919 26.043 -9.423 1.00 67.99 O +ATOM 1511 N PRO A 214 12.501 23.311 -5.346 1.00 58.74 N +ATOM 1512 CA PRO A 214 12.823 21.943 -4.935 1.00 58.64 C +ATOM 1513 C PRO A 214 13.511 21.231 -6.082 1.00 58.77 C +ATOM 1514 O PRO A 214 13.334 21.579 -7.251 1.00 58.65 O +ATOM 1515 CB PRO A 214 11.460 21.324 -4.653 1.00 57.99 C +ATOM 1516 CG PRO A 214 10.619 22.485 -4.310 1.00 58.70 C +ATOM 1517 CD PRO A 214 11.045 23.509 -5.323 1.00 58.34 C +ATOM 1518 N PRO A 215 14.290 20.204 -5.762 1.00 58.41 N +ATOM 1519 CA PRO A 215 15.004 19.444 -6.785 1.00 58.48 C +ATOM 1520 C PRO A 215 14.054 18.989 -7.888 1.00 58.83 C +ATOM 1521 O PRO A 215 14.440 18.896 -9.054 1.00 60.05 O +ATOM 1522 CB PRO A 215 15.564 18.263 -6.002 1.00 58.80 C +ATOM 1523 CG PRO A 215 15.709 18.820 -4.604 1.00 59.25 C +ATOM 1524 CD PRO A 215 14.442 19.590 -4.434 1.00 58.38 C +ATOM 1525 N PHE A 216 12.808 18.718 -7.504 1.00 58.93 N +ATOM 1526 CA PHE A 216 11.787 18.236 -8.430 1.00 58.29 C +ATOM 1527 C PHE A 216 10.419 18.901 -8.302 1.00 58.36 C +ATOM 1528 O PHE A 216 9.827 18.940 -7.221 1.00 58.79 O +ATOM 1529 CB PHE A 216 11.610 16.730 -8.254 1.00 57.75 C +ATOM 1530 CG PHE A 216 12.877 15.964 -8.404 1.00 59.34 C +ATOM 1531 CD1 PHE A 216 13.617 16.048 -9.583 1.00 60.37 C +ATOM 1532 CD2 PHE A 216 13.353 15.179 -7.366 1.00 59.92 C +ATOM 1533 CE1 PHE A 216 14.821 15.365 -9.730 1.00 60.19 C +ATOM 1534 CE2 PHE A 216 14.558 14.488 -7.499 1.00 61.61 C +ATOM 1535 CZ PHE A 216 15.295 14.585 -8.688 1.00 60.97 C +ATOM 1536 N THR A 217 9.926 19.416 -9.424 1.00 58.25 N +ATOM 1537 CA THR A 217 8.616 20.040 -9.488 1.00 57.27 C +ATOM 1538 C THR A 217 7.753 19.116 -10.323 1.00 57.16 C +ATOM 1539 O THR A 217 8.238 18.458 -11.242 1.00 57.49 O +ATOM 1540 CB THR A 217 8.650 21.407 -10.191 1.00 56.92 C +ATOM 1541 OG1 THR A 217 9.518 21.334 -11.329 1.00 58.37 O +ATOM 1542 CG2 THR A 217 9.111 22.497 -9.240 1.00 56.32 C +ATOM 1543 N GLY A 218 6.475 19.056 -9.990 1.00 57.22 N +ATOM 1544 CA GLY A 218 5.569 18.219 -10.742 1.00 57.81 C +ATOM 1545 C GLY A 218 4.205 18.860 -10.740 1.00 58.48 C +ATOM 1546 O GLY A 218 3.868 19.597 -9.813 1.00 59.21 O +ATOM 1547 N ASP A 219 3.420 18.603 -11.776 1.00 59.33 N +ATOM 1548 CA ASP A 219 2.091 19.179 -11.828 1.00 60.68 C +ATOM 1549 C ASP A 219 1.232 18.431 -10.813 1.00 60.65 C +ATOM 1550 O ASP A 219 0.440 19.043 -10.100 1.00 60.73 O +ATOM 1551 CB ASP A 219 1.528 19.105 -13.263 1.00 62.23 C +ATOM 1552 CG ASP A 219 2.024 20.282 -14.164 1.00 63.63 C +ATOM 1553 OD1 ASP A 219 3.221 20.683 -14.059 1.00 63.49 O +ATOM 1554 OD2 ASP A 219 1.217 20.796 -14.983 1.00 62.71 O +ATOM 1555 N SER A 220 1.420 17.116 -10.715 1.00 60.51 N +ATOM 1556 CA SER A 220 0.672 16.303 -9.750 1.00 59.53 C +ATOM 1557 C SER A 220 1.621 15.593 -8.796 1.00 58.45 C +ATOM 1558 O SER A 220 2.774 15.346 -9.135 1.00 58.14 O +ATOM 1559 CB SER A 220 -0.186 15.258 -10.469 1.00 60.94 C +ATOM 1560 OG SER A 220 0.607 14.323 -11.187 1.00 61.75 O +ATOM 1561 N PRO A 221 1.149 15.251 -7.586 1.00 58.28 N +ATOM 1562 CA PRO A 221 1.998 14.562 -6.602 1.00 57.33 C +ATOM 1563 C PRO A 221 2.806 13.400 -7.160 1.00 55.64 C +ATOM 1564 O PRO A 221 4.028 13.410 -7.075 1.00 55.09 O +ATOM 1565 CB PRO A 221 1.004 14.124 -5.537 1.00 56.89 C +ATOM 1566 CG PRO A 221 0.092 15.312 -5.492 1.00 59.02 C +ATOM 1567 CD PRO A 221 -0.145 15.613 -6.983 1.00 59.04 C +ATOM 1568 N VAL A 222 2.123 12.421 -7.750 1.00 54.94 N +ATOM 1569 CA VAL A 222 2.784 11.241 -8.308 1.00 52.85 C +ATOM 1570 C VAL A 222 3.937 11.541 -9.252 1.00 52.01 C +ATOM 1571 O VAL A 222 4.952 10.858 -9.212 1.00 51.50 O +ATOM 1572 CB VAL A 222 1.793 10.314 -9.033 1.00 51.55 C +ATOM 1573 CG1 VAL A 222 2.521 9.100 -9.559 1.00 49.55 C +ATOM 1574 CG2 VAL A 222 0.698 9.871 -8.070 1.00 52.51 C +ATOM 1575 N SER A 223 3.803 12.550 -10.101 1.00 52.02 N +ATOM 1576 CA SER A 223 4.902 12.859 -11.007 1.00 52.46 C +ATOM 1577 C SER A 223 6.115 13.244 -10.176 1.00 52.31 C +ATOM 1578 O SER A 223 7.242 12.891 -10.517 1.00 52.84 O +ATOM 1579 CB SER A 223 4.537 14.002 -11.957 1.00 52.58 C +ATOM 1580 OG SER A 223 4.326 15.204 -11.250 1.00 52.67 O +ATOM 1581 N VAL A 224 5.880 13.960 -9.076 1.00 52.29 N +ATOM 1582 CA VAL A 224 6.968 14.375 -8.187 1.00 51.31 C +ATOM 1583 C VAL A 224 7.581 13.144 -7.493 1.00 50.63 C +ATOM 1584 O VAL A 224 8.770 12.863 -7.652 1.00 50.61 O +ATOM 1585 CB VAL A 224 6.474 15.397 -7.133 1.00 50.64 C +ATOM 1586 CG1 VAL A 224 7.625 15.828 -6.255 1.00 51.14 C +ATOM 1587 CG2 VAL A 224 5.885 16.612 -7.824 1.00 49.43 C +ATOM 1588 N ALA A 225 6.777 12.406 -6.735 1.00 49.34 N +ATOM 1589 CA ALA A 225 7.269 11.203 -6.080 1.00 48.28 C +ATOM 1590 C ALA A 225 8.142 10.454 -7.081 1.00 48.38 C +ATOM 1591 O ALA A 225 9.315 10.212 -6.833 1.00 48.17 O +ATOM 1592 CB ALA A 225 6.106 10.318 -5.647 1.00 46.19 C +ATOM 1593 N TYR A 226 7.565 10.103 -8.222 1.00 49.42 N +ATOM 1594 CA TYR A 226 8.300 9.383 -9.250 1.00 50.07 C +ATOM 1595 C TYR A 226 9.664 10.009 -9.488 1.00 50.49 C +ATOM 1596 O TYR A 226 10.671 9.303 -9.500 1.00 51.44 O +ATOM 1597 CB TYR A 226 7.524 9.381 -10.561 1.00 50.57 C +ATOM 1598 CG TYR A 226 8.154 8.542 -11.646 1.00 51.48 C +ATOM 1599 CD1 TYR A 226 8.276 7.161 -11.496 1.00 53.03 C +ATOM 1600 CD2 TYR A 226 8.598 9.119 -12.840 1.00 51.25 C +ATOM 1601 CE1 TYR A 226 8.817 6.365 -12.510 1.00 53.19 C +ATOM 1602 CE2 TYR A 226 9.142 8.338 -13.862 1.00 52.65 C +ATOM 1603 CZ TYR A 226 9.244 6.954 -13.689 1.00 53.84 C +ATOM 1604 OH TYR A 226 9.735 6.148 -14.699 1.00 55.87 O +ATOM 1605 N GLN A 227 9.704 11.328 -9.677 1.00 49.54 N +ATOM 1606 CA GLN A 227 10.970 12.012 -9.921 1.00 48.93 C +ATOM 1607 C GLN A 227 11.982 11.824 -8.800 1.00 49.54 C +ATOM 1608 O GLN A 227 13.165 11.641 -9.058 1.00 50.17 O +ATOM 1609 CB GLN A 227 10.742 13.496 -10.158 1.00 47.65 C +ATOM 1610 CG GLN A 227 10.192 13.810 -11.519 1.00 45.37 C +ATOM 1611 CD GLN A 227 10.247 15.282 -11.818 1.00 45.12 C +ATOM 1612 OE1 GLN A 227 9.431 16.061 -11.331 1.00 43.02 O +ATOM 1613 NE2 GLN A 227 11.227 15.677 -12.615 1.00 46.58 N +ATOM 1614 N HIS A 228 11.526 11.873 -7.555 1.00 50.51 N +ATOM 1615 CA HIS A 228 12.426 11.669 -6.422 1.00 51.26 C +ATOM 1616 C HIS A 228 13.121 10.305 -6.492 1.00 50.98 C +ATOM 1617 O HIS A 228 14.293 10.187 -6.167 1.00 50.93 O +ATOM 1618 CB HIS A 228 11.661 11.766 -5.105 1.00 51.40 C +ATOM 1619 CG HIS A 228 11.422 13.166 -4.648 1.00 51.75 C +ATOM 1620 ND1 HIS A 228 12.444 14.066 -4.457 1.00 53.32 N +ATOM 1621 CD2 HIS A 228 10.284 13.809 -4.302 1.00 52.68 C +ATOM 1622 CE1 HIS A 228 11.947 15.206 -4.009 1.00 54.07 C +ATOM 1623 NE2 HIS A 228 10.638 15.075 -3.906 1.00 53.74 N +ATOM 1624 N VAL A 229 12.392 9.278 -6.909 1.00 50.54 N +ATOM 1625 CA VAL A 229 12.962 7.946 -7.005 1.00 50.54 C +ATOM 1626 C VAL A 229 13.083 7.507 -8.455 1.00 50.91 C +ATOM 1627 O VAL A 229 12.527 6.482 -8.845 1.00 51.31 O +ATOM 1628 CB VAL A 229 12.097 6.926 -6.244 1.00 51.14 C +ATOM 1629 CG1 VAL A 229 10.709 6.840 -6.864 1.00 50.15 C +ATOM 1630 CG2 VAL A 229 12.780 5.575 -6.240 1.00 51.93 C +ATOM 1631 N ARG A 230 13.818 8.276 -9.255 1.00 51.19 N +ATOM 1632 CA ARG A 230 13.976 7.943 -10.660 1.00 51.21 C +ATOM 1633 C ARG A 230 14.793 8.973 -11.442 1.00 50.99 C +ATOM 1634 O ARG A 230 15.203 8.716 -12.563 1.00 51.16 O +ATOM 1635 CB ARG A 230 12.586 7.796 -11.287 1.00 53.80 C +ATOM 1636 CG ARG A 230 12.503 6.907 -12.512 1.00 56.45 C +ATOM 1637 CD ARG A 230 12.735 5.448 -12.174 1.00 60.57 C +ATOM 1638 NE ARG A 230 11.667 4.902 -11.342 1.00 65.35 N +ATOM 1639 CZ ARG A 230 11.023 3.763 -11.606 1.00 67.99 C +ATOM 1640 NH1 ARG A 230 11.355 3.051 -12.687 1.00 68.73 N +ATOM 1641 NH2 ARG A 230 10.037 3.343 -10.805 1.00 67.82 N +ATOM 1642 N GLU A 231 15.047 10.136 -10.861 1.00 52.08 N +ATOM 1643 CA GLU A 231 15.801 11.166 -11.584 1.00 54.29 C +ATOM 1644 C GLU A 231 16.815 11.886 -10.709 1.00 54.38 C +ATOM 1645 O GLU A 231 16.524 12.239 -9.573 1.00 54.56 O +ATOM 1646 CB GLU A 231 14.841 12.204 -12.163 1.00 55.74 C +ATOM 1647 CG GLU A 231 13.403 11.726 -12.241 1.00 57.27 C +ATOM 1648 CD GLU A 231 12.957 11.445 -13.651 1.00 58.82 C +ATOM 1649 OE1 GLU A 231 12.875 12.419 -14.440 1.00 58.96 O +ATOM 1650 OE2 GLU A 231 12.689 10.259 -13.962 1.00 58.50 O +ATOM 1651 N ASP A 232 18.002 12.123 -11.247 1.00 54.90 N +ATOM 1652 CA ASP A 232 19.034 12.804 -10.487 1.00 55.54 C +ATOM 1653 C ASP A 232 18.695 14.288 -10.365 1.00 55.84 C +ATOM 1654 O ASP A 232 18.223 14.923 -11.313 1.00 56.78 O +ATOM 1655 CB ASP A 232 20.385 12.661 -11.179 1.00 57.60 C +ATOM 1656 CG ASP A 232 20.650 11.247 -11.672 1.00 60.69 C +ATOM 1657 OD1 ASP A 232 20.671 10.310 -10.836 1.00 60.34 O +ATOM 1658 OD2 ASP A 232 20.846 11.082 -12.904 1.00 61.68 O +ATOM 1659 N PRO A 233 18.934 14.868 -9.189 1.00 55.28 N +ATOM 1660 CA PRO A 233 18.646 16.284 -8.977 1.00 54.09 C +ATOM 1661 C PRO A 233 19.567 17.194 -9.779 1.00 54.21 C +ATOM 1662 O PRO A 233 20.766 17.242 -9.514 1.00 54.95 O +ATOM 1663 CB PRO A 233 18.878 16.457 -7.479 1.00 54.01 C +ATOM 1664 CG PRO A 233 18.593 15.115 -6.924 1.00 54.70 C +ATOM 1665 CD PRO A 233 19.269 14.211 -7.918 1.00 55.47 C +ATOM 1666 N ILE A 234 19.022 17.913 -10.754 1.00 53.68 N +ATOM 1667 CA ILE A 234 19.833 18.850 -11.536 1.00 53.26 C +ATOM 1668 C ILE A 234 20.809 19.547 -10.577 1.00 53.79 C +ATOM 1669 O ILE A 234 20.400 20.147 -9.591 1.00 53.61 O +ATOM 1670 CB ILE A 234 18.938 19.920 -12.229 1.00 52.31 C +ATOM 1671 CG1 ILE A 234 18.654 19.524 -13.680 1.00 52.29 C +ATOM 1672 CG2 ILE A 234 19.628 21.271 -12.209 1.00 52.95 C +ATOM 1673 CD1 ILE A 234 18.222 18.090 -13.870 1.00 52.78 C +ATOM 1674 N PRO A 235 22.116 19.468 -10.854 1.00 55.42 N +ATOM 1675 CA PRO A 235 23.099 20.110 -9.971 1.00 55.70 C +ATOM 1676 C PRO A 235 22.725 21.559 -9.658 1.00 56.32 C +ATOM 1677 O PRO A 235 22.304 22.303 -10.551 1.00 56.08 O +ATOM 1678 CB PRO A 235 24.396 20.012 -10.770 1.00 56.10 C +ATOM 1679 CG PRO A 235 24.194 18.767 -11.595 1.00 55.47 C +ATOM 1680 CD PRO A 235 22.766 18.905 -12.051 1.00 55.67 C +ATOM 1681 N PRO A 236 22.879 21.976 -8.384 1.00 57.14 N +ATOM 1682 CA PRO A 236 22.555 23.346 -7.953 1.00 57.68 C +ATOM 1683 C PRO A 236 23.129 24.406 -8.901 1.00 58.40 C +ATOM 1684 O PRO A 236 22.418 25.306 -9.359 1.00 57.49 O +ATOM 1685 CB PRO A 236 23.167 23.421 -6.552 1.00 56.51 C +ATOM 1686 CG PRO A 236 23.022 22.025 -6.053 1.00 55.57 C +ATOM 1687 CD PRO A 236 23.422 21.190 -7.261 1.00 56.06 C +ATOM 1688 N SER A 237 24.421 24.288 -9.189 1.00 60.10 N +ATOM 1689 CA SER A 237 25.098 25.216 -10.085 1.00 62.58 C +ATOM 1690 C SER A 237 24.329 25.402 -11.402 1.00 63.91 C +ATOM 1691 O SER A 237 24.080 26.527 -11.838 1.00 63.92 O +ATOM 1692 CB SER A 237 26.504 24.698 -10.368 1.00 61.94 C +ATOM 1693 OG SER A 237 26.468 23.305 -10.610 1.00 62.32 O +ATOM 1694 N ALA A 238 23.952 24.288 -12.022 1.00 65.59 N +ATOM 1695 CA ALA A 238 23.215 24.316 -13.282 1.00 67.16 C +ATOM 1696 C ALA A 238 21.816 24.911 -13.126 1.00 68.32 C +ATOM 1697 O ALA A 238 21.173 25.262 -14.118 1.00 68.16 O +ATOM 1698 CB ALA A 238 23.105 22.893 -13.854 1.00 66.89 C +ATOM 1699 N ARG A 239 21.355 25.022 -11.882 1.00 69.82 N +ATOM 1700 CA ARG A 239 20.016 25.533 -11.594 1.00 70.81 C +ATOM 1701 C ARG A 239 20.009 27.005 -11.151 1.00 70.86 C +ATOM 1702 O ARG A 239 19.019 27.731 -11.343 1.00 70.58 O +ATOM 1703 CB ARG A 239 19.353 24.633 -10.534 1.00 70.77 C +ATOM 1704 CG ARG A 239 17.907 24.265 -10.856 1.00 72.39 C +ATOM 1705 CD ARG A 239 17.006 25.492 -10.769 1.00 74.58 C +ATOM 1706 NE ARG A 239 15.719 25.313 -11.443 1.00 76.17 N +ATOM 1707 CZ ARG A 239 15.028 26.317 -11.993 1.00 77.53 C +ATOM 1708 NH1 ARG A 239 15.512 27.564 -11.935 1.00 77.36 N +ATOM 1709 NH2 ARG A 239 13.870 26.082 -12.618 1.00 75.89 N +ATOM 1710 N HIS A 240 21.120 27.442 -10.570 1.00 71.34 N +ATOM 1711 CA HIS A 240 21.239 28.818 -10.111 1.00 71.64 C +ATOM 1712 C HIS A 240 22.679 29.312 -10.173 1.00 72.10 C +ATOM 1713 O HIS A 240 23.639 28.531 -10.168 1.00 70.51 O +ATOM 1714 CB HIS A 240 20.713 28.964 -8.679 1.00 71.64 C +ATOM 1715 CG HIS A 240 20.716 30.376 -8.174 1.00 70.99 C +ATOM 1716 ND1 HIS A 240 19.763 31.302 -8.543 1.00 70.69 N +ATOM 1717 CD2 HIS A 240 21.563 31.024 -7.337 1.00 71.21 C +ATOM 1718 CE1 HIS A 240 20.022 32.457 -7.955 1.00 70.91 C +ATOM 1719 NE2 HIS A 240 21.109 32.315 -7.216 1.00 71.47 N +ATOM 1720 N GLU A 241 22.790 30.634 -10.212 1.00 73.98 N +ATOM 1721 CA GLU A 241 24.046 31.363 -10.309 1.00 75.58 C +ATOM 1722 C GLU A 241 25.176 30.970 -9.334 1.00 75.35 C +ATOM 1723 O GLU A 241 25.670 29.830 -9.355 1.00 75.68 O +ATOM 1724 CB GLU A 241 23.737 32.870 -10.215 1.00 77.24 C +ATOM 1725 CG GLU A 241 24.961 33.774 -10.226 1.00 81.34 C +ATOM 1726 CD GLU A 241 25.983 33.355 -11.282 1.00 83.85 C +ATOM 1727 OE1 GLU A 241 25.718 33.601 -12.489 1.00 85.65 O +ATOM 1728 OE2 GLU A 241 27.041 32.774 -10.904 1.00 84.41 O +ATOM 1729 N GLY A 242 25.579 31.928 -8.496 1.00 74.65 N +ATOM 1730 CA GLY A 242 26.661 31.734 -7.546 1.00 73.25 C +ATOM 1731 C GLY A 242 26.616 30.463 -6.735 1.00 72.54 C +ATOM 1732 O GLY A 242 26.369 30.502 -5.527 1.00 73.23 O +ATOM 1733 N LEU A 243 26.857 29.332 -7.382 1.00 71.16 N +ATOM 1734 CA LEU A 243 26.845 28.090 -6.655 1.00 70.30 C +ATOM 1735 C LEU A 243 28.105 27.277 -6.825 1.00 69.95 C +ATOM 1736 O LEU A 243 28.434 26.784 -7.913 1.00 69.45 O +ATOM 1737 CB LEU A 243 25.613 27.267 -7.009 1.00 70.38 C +ATOM 1738 CG LEU A 243 24.426 27.628 -6.113 1.00 69.95 C +ATOM 1739 CD1 LEU A 243 23.234 26.724 -6.421 1.00 71.08 C +ATOM 1740 CD2 LEU A 243 24.841 27.475 -4.654 1.00 70.41 C +ATOM 1741 N SER A 244 28.808 27.164 -5.704 1.00 69.48 N +ATOM 1742 CA SER A 244 30.059 26.426 -5.598 1.00 68.91 C +ATOM 1743 C SER A 244 29.853 24.929 -5.884 1.00 67.69 C +ATOM 1744 O SER A 244 29.172 24.233 -5.124 1.00 67.17 O +ATOM 1745 CB SER A 244 30.624 26.629 -4.184 1.00 68.83 C +ATOM 1746 OG SER A 244 31.876 25.995 -4.024 1.00 69.70 O +ATOM 1747 N ALA A 245 30.430 24.440 -6.980 1.00 66.79 N +ATOM 1748 CA ALA A 245 30.312 23.023 -7.334 1.00 66.17 C +ATOM 1749 C ALA A 245 30.824 22.143 -6.178 1.00 64.78 C +ATOM 1750 O ALA A 245 30.899 20.916 -6.290 1.00 63.11 O +ATOM 1751 CB ALA A 245 31.097 22.728 -8.622 1.00 66.75 C +ATOM 1752 N ASP A 246 31.189 22.797 -5.080 1.00 63.42 N +ATOM 1753 CA ASP A 246 31.659 22.130 -3.876 1.00 62.62 C +ATOM 1754 C ASP A 246 30.424 22.000 -3.014 1.00 61.42 C +ATOM 1755 O ASP A 246 30.334 21.135 -2.142 1.00 60.75 O +ATOM 1756 CB ASP A 246 32.687 22.998 -3.162 1.00 64.51 C +ATOM 1757 CG ASP A 246 34.006 23.068 -3.908 1.00 66.78 C +ATOM 1758 OD1 ASP A 246 34.818 22.126 -3.727 1.00 67.58 O +ATOM 1759 OD2 ASP A 246 34.218 24.051 -4.675 1.00 66.29 O +ATOM 1760 N LEU A 247 29.479 22.900 -3.268 1.00 60.26 N +ATOM 1761 CA LEU A 247 28.215 22.909 -2.564 1.00 58.73 C +ATOM 1762 C LEU A 247 27.361 21.870 -3.275 1.00 58.23 C +ATOM 1763 O LEU A 247 26.516 21.224 -2.659 1.00 58.65 O +ATOM 1764 CB LEU A 247 27.548 24.280 -2.651 1.00 58.16 C +ATOM 1765 CG LEU A 247 26.931 24.754 -1.331 1.00 59.22 C +ATOM 1766 CD1 LEU A 247 25.942 25.885 -1.592 1.00 58.64 C +ATOM 1767 CD2 LEU A 247 26.231 23.597 -0.646 1.00 59.05 C +ATOM 1768 N ASP A 248 27.588 21.702 -4.576 1.00 57.20 N +ATOM 1769 CA ASP A 248 26.837 20.707 -5.335 1.00 56.35 C +ATOM 1770 C ASP A 248 27.137 19.341 -4.718 1.00 55.09 C +ATOM 1771 O ASP A 248 26.254 18.501 -4.544 1.00 54.24 O +ATOM 1772 CB ASP A 248 27.264 20.689 -6.817 1.00 57.38 C +ATOM 1773 CG ASP A 248 26.511 21.706 -7.678 1.00 58.61 C +ATOM 1774 OD1 ASP A 248 26.313 21.441 -8.886 1.00 59.20 O +ATOM 1775 OD2 ASP A 248 26.122 22.772 -7.164 1.00 60.58 O +ATOM 1776 N ALA A 249 28.402 19.136 -4.383 1.00 53.80 N +ATOM 1777 CA ALA A 249 28.844 17.881 -3.804 1.00 53.40 C +ATOM 1778 C ALA A 249 28.086 17.504 -2.524 1.00 52.32 C +ATOM 1779 O ALA A 249 27.864 16.330 -2.237 1.00 51.66 O +ATOM 1780 CB ALA A 249 30.341 17.955 -3.532 1.00 53.93 C +ATOM 1781 N VAL A 250 27.688 18.512 -1.765 1.00 50.86 N +ATOM 1782 CA VAL A 250 26.977 18.308 -0.517 1.00 50.88 C +ATOM 1783 C VAL A 250 25.484 18.044 -0.779 1.00 51.68 C +ATOM 1784 O VAL A 250 24.903 17.069 -0.277 1.00 50.91 O +ATOM 1785 CB VAL A 250 27.137 19.556 0.379 1.00 50.16 C +ATOM 1786 CG1 VAL A 250 26.711 19.249 1.786 1.00 49.30 C +ATOM 1787 CG2 VAL A 250 28.571 20.025 0.351 1.00 49.48 C +ATOM 1788 N VAL A 251 24.876 18.923 -1.571 1.00 50.75 N +ATOM 1789 CA VAL A 251 23.463 18.825 -1.908 1.00 50.16 C +ATOM 1790 C VAL A 251 23.128 17.485 -2.549 1.00 50.35 C +ATOM 1791 O VAL A 251 22.310 16.726 -2.032 1.00 50.47 O +ATOM 1792 CB VAL A 251 23.057 19.949 -2.878 1.00 49.93 C +ATOM 1793 CG1 VAL A 251 21.572 19.892 -3.161 1.00 49.32 C +ATOM 1794 CG2 VAL A 251 23.421 21.276 -2.294 1.00 50.40 C +ATOM 1795 N LEU A 252 23.768 17.201 -3.678 1.00 50.10 N +ATOM 1796 CA LEU A 252 23.525 15.960 -4.391 1.00 50.04 C +ATOM 1797 C LEU A 252 23.862 14.707 -3.587 1.00 49.97 C +ATOM 1798 O LEU A 252 23.313 13.638 -3.851 1.00 50.25 O +ATOM 1799 CB LEU A 252 24.268 15.975 -5.730 1.00 50.17 C +ATOM 1800 CG LEU A 252 23.569 16.896 -6.743 1.00 52.15 C +ATOM 1801 CD1 LEU A 252 24.403 17.073 -8.007 1.00 51.28 C +ATOM 1802 CD2 LEU A 252 22.197 16.305 -7.071 1.00 52.41 C +ATOM 1803 N LYS A 253 24.750 14.828 -2.602 1.00 49.76 N +ATOM 1804 CA LYS A 253 25.082 13.676 -1.769 1.00 48.81 C +ATOM 1805 C LYS A 253 23.864 13.319 -0.924 1.00 47.64 C +ATOM 1806 O LYS A 253 23.372 12.202 -0.964 1.00 45.43 O +ATOM 1807 CB LYS A 253 26.271 13.973 -0.843 1.00 49.53 C +ATOM 1808 CG LYS A 253 26.200 13.170 0.460 1.00 51.17 C +ATOM 1809 CD LYS A 253 27.475 12.420 0.849 1.00 51.04 C +ATOM 1810 CE LYS A 253 27.115 11.327 1.855 1.00 49.78 C +ATOM 1811 NZ LYS A 253 28.255 10.518 2.336 1.00 50.12 N +ATOM 1812 N ALA A 254 23.391 14.291 -0.157 1.00 48.72 N +ATOM 1813 CA ALA A 254 22.240 14.108 0.706 1.00 50.02 C +ATOM 1814 C ALA A 254 20.982 13.727 -0.088 1.00 51.12 C +ATOM 1815 O ALA A 254 20.032 13.155 0.460 1.00 52.09 O +ATOM 1816 CB ALA A 254 22.000 15.376 1.494 1.00 49.63 C +ATOM 1817 N LEU A 255 20.965 14.040 -1.378 1.00 50.02 N +ATOM 1818 CA LEU A 255 19.816 13.690 -2.199 1.00 49.44 C +ATOM 1819 C LEU A 255 20.001 12.356 -2.927 1.00 49.79 C +ATOM 1820 O LEU A 255 19.214 12.001 -3.806 1.00 51.29 O +ATOM 1821 CB LEU A 255 19.541 14.791 -3.216 1.00 48.13 C +ATOM 1822 CG LEU A 255 18.958 16.077 -2.648 1.00 47.63 C +ATOM 1823 CD1 LEU A 255 18.708 17.032 -3.794 1.00 45.41 C +ATOM 1824 CD2 LEU A 255 17.671 15.784 -1.874 1.00 45.03 C +ATOM 1825 N ALA A 256 21.044 11.620 -2.568 1.00 49.29 N +ATOM 1826 CA ALA A 256 21.308 10.334 -3.192 1.00 48.82 C +ATOM 1827 C ALA A 256 20.131 9.406 -2.946 1.00 48.70 C +ATOM 1828 O ALA A 256 19.723 9.215 -1.802 1.00 48.68 O +ATOM 1829 CB ALA A 256 22.567 9.741 -2.620 1.00 49.40 C +ATOM 1830 N LYS A 257 19.584 8.831 -4.015 1.00 48.60 N +ATOM 1831 CA LYS A 257 18.433 7.938 -3.892 1.00 48.98 C +ATOM 1832 C LYS A 257 18.633 6.834 -2.879 1.00 49.73 C +ATOM 1833 O LYS A 257 17.682 6.427 -2.221 1.00 49.13 O +ATOM 1834 CB LYS A 257 18.082 7.303 -5.235 1.00 48.01 C +ATOM 1835 CG LYS A 257 17.330 8.201 -6.190 1.00 48.24 C +ATOM 1836 CD LYS A 257 18.115 9.454 -6.505 1.00 49.69 C +ATOM 1837 CE LYS A 257 17.543 10.177 -7.723 1.00 51.49 C +ATOM 1838 NZ LYS A 257 16.158 10.714 -7.539 1.00 49.83 N +ATOM 1839 N ASN A 258 19.868 6.351 -2.756 1.00 51.53 N +ATOM 1840 CA ASN A 258 20.184 5.268 -1.823 1.00 52.79 C +ATOM 1841 C ASN A 258 20.576 5.739 -0.422 1.00 53.45 C +ATOM 1842 O ASN A 258 21.612 6.379 -0.240 1.00 55.16 O +ATOM 1843 CB ASN A 258 21.305 4.401 -2.379 1.00 52.27 C +ATOM 1844 CG ASN A 258 21.646 3.251 -1.460 1.00 53.91 C +ATOM 1845 OD1 ASN A 258 20.922 2.963 -0.501 1.00 53.62 O +ATOM 1846 ND2 ASN A 258 22.747 2.576 -1.751 1.00 55.11 N +ATOM 1847 N PRO A 259 19.767 5.401 0.593 1.00 52.96 N +ATOM 1848 CA PRO A 259 20.072 5.819 1.961 1.00 53.80 C +ATOM 1849 C PRO A 259 21.549 5.684 2.307 1.00 53.79 C +ATOM 1850 O PRO A 259 22.165 6.618 2.828 1.00 53.42 O +ATOM 1851 CB PRO A 259 19.192 4.897 2.800 1.00 53.66 C +ATOM 1852 CG PRO A 259 17.999 4.735 1.937 1.00 53.51 C +ATOM 1853 CD PRO A 259 18.613 4.491 0.578 1.00 52.49 C +ATOM 1854 N GLU A 260 22.101 4.516 1.991 1.00 53.91 N +ATOM 1855 CA GLU A 260 23.491 4.198 2.272 1.00 53.61 C +ATOM 1856 C GLU A 260 24.446 5.158 1.575 1.00 52.81 C +ATOM 1857 O GLU A 260 25.481 5.528 2.123 1.00 53.09 O +ATOM 1858 CB GLU A 260 23.789 2.763 1.836 1.00 54.56 C +ATOM 1859 CG GLU A 260 22.709 1.736 2.186 1.00 57.52 C +ATOM 1860 CD GLU A 260 22.404 1.658 3.683 1.00 60.02 C +ATOM 1861 OE1 GLU A 260 23.349 1.837 4.485 1.00 61.89 O +ATOM 1862 OE2 GLU A 260 21.230 1.403 4.057 1.00 59.03 O +ATOM 1863 N ASN A 261 24.099 5.571 0.367 1.00 51.92 N +ATOM 1864 CA ASN A 261 24.961 6.483 -0.369 1.00 51.86 C +ATOM 1865 C ASN A 261 24.869 7.960 0.000 1.00 51.17 C +ATOM 1866 O ASN A 261 25.526 8.780 -0.632 1.00 50.20 O +ATOM 1867 CB ASN A 261 24.747 6.332 -1.882 1.00 53.37 C +ATOM 1868 CG ASN A 261 25.564 5.189 -2.484 1.00 53.70 C +ATOM 1869 OD1 ASN A 261 26.617 4.810 -1.952 1.00 54.83 O +ATOM 1870 ND2 ASN A 261 25.093 4.652 -3.607 1.00 52.52 N +ATOM 1871 N ARG A 262 24.050 8.314 0.990 1.00 51.42 N +ATOM 1872 CA ARG A 262 23.962 9.717 1.418 1.00 52.00 C +ATOM 1873 C ARG A 262 24.497 9.836 2.859 1.00 51.96 C +ATOM 1874 O ARG A 262 24.924 8.829 3.439 1.00 53.24 O +ATOM 1875 CB ARG A 262 22.520 10.241 1.309 1.00 50.92 C +ATOM 1876 CG ARG A 262 21.487 9.541 2.169 1.00 51.74 C +ATOM 1877 CD ARG A 262 20.117 10.250 2.069 1.00 52.45 C +ATOM 1878 NE ARG A 262 19.259 9.724 1.003 1.00 49.16 N +ATOM 1879 CZ ARG A 262 18.178 8.986 1.222 1.00 46.76 C +ATOM 1880 NH1 ARG A 262 17.817 8.698 2.460 1.00 44.80 N +ATOM 1881 NH2 ARG A 262 17.478 8.515 0.205 1.00 46.32 N +ATOM 1882 N TYR A 263 24.503 11.037 3.441 1.00 50.91 N +ATOM 1883 CA TYR A 263 25.017 11.180 4.807 1.00 50.36 C +ATOM 1884 C TYR A 263 24.211 10.287 5.730 1.00 50.00 C +ATOM 1885 O TYR A 263 22.992 10.300 5.691 1.00 50.79 O +ATOM 1886 CB TYR A 263 24.938 12.636 5.278 1.00 51.18 C +ATOM 1887 CG TYR A 263 25.747 13.590 4.429 1.00 51.67 C +ATOM 1888 CD1 TYR A 263 27.139 13.511 4.384 1.00 51.57 C +ATOM 1889 CD2 TYR A 263 25.113 14.531 3.618 1.00 52.91 C +ATOM 1890 CE1 TYR A 263 27.883 14.348 3.540 1.00 53.84 C +ATOM 1891 CE2 TYR A 263 25.841 15.373 2.771 1.00 54.10 C +ATOM 1892 CZ TYR A 263 27.224 15.277 2.734 1.00 54.56 C +ATOM 1893 OH TYR A 263 27.927 16.104 1.884 1.00 54.82 O +ATOM 1894 N GLN A 264 24.891 9.504 6.558 1.00 49.44 N +ATOM 1895 CA GLN A 264 24.209 8.589 7.467 1.00 48.55 C +ATOM 1896 C GLN A 264 23.602 9.230 8.703 1.00 47.45 C +ATOM 1897 O GLN A 264 22.680 8.683 9.295 1.00 47.42 O +ATOM 1898 CB GLN A 264 25.168 7.477 7.873 1.00 49.36 C +ATOM 1899 CG GLN A 264 25.566 6.638 6.692 1.00 50.10 C +ATOM 1900 CD GLN A 264 24.350 6.094 5.968 1.00 51.13 C +ATOM 1901 OE1 GLN A 264 23.599 5.276 6.518 1.00 51.93 O +ATOM 1902 NE2 GLN A 264 24.140 6.553 4.735 1.00 48.78 N +ATOM 1903 N THR A 265 24.138 10.377 9.098 1.00 46.50 N +ATOM 1904 CA THR A 265 23.639 11.108 10.249 1.00 45.37 C +ATOM 1905 C THR A 265 23.602 12.559 9.817 1.00 45.63 C +ATOM 1906 O THR A 265 24.317 12.948 8.890 1.00 42.93 O +ATOM 1907 CB THR A 265 24.550 10.941 11.508 1.00 45.67 C +ATOM 1908 OG1 THR A 265 25.912 11.241 11.182 1.00 45.86 O +ATOM 1909 CG2 THR A 265 24.461 9.520 12.047 1.00 44.51 C +ATOM 1910 N ALA A 266 22.756 13.348 10.478 1.00 46.42 N +ATOM 1911 CA ALA A 266 22.596 14.763 10.146 1.00 46.75 C +ATOM 1912 C ALA A 266 23.796 15.586 10.562 1.00 46.78 C +ATOM 1913 O ALA A 266 24.020 16.676 10.037 1.00 47.20 O +ATOM 1914 CB ALA A 266 21.338 15.314 10.792 1.00 45.84 C +ATOM 1915 N ALA A 267 24.560 15.054 11.511 1.00 47.01 N +ATOM 1916 CA ALA A 267 25.759 15.717 12.010 1.00 47.49 C +ATOM 1917 C ALA A 267 26.839 15.516 10.973 1.00 47.59 C +ATOM 1918 O ALA A 267 27.716 16.355 10.781 1.00 46.86 O +ATOM 1919 CB ALA A 267 26.185 15.101 13.323 1.00 46.95 C +ATOM 1920 N GLU A 268 26.762 14.381 10.303 1.00 48.95 N +ATOM 1921 CA GLU A 268 27.714 14.063 9.265 1.00 50.75 C +ATOM 1922 C GLU A 268 27.472 15.025 8.100 1.00 49.67 C +ATOM 1923 O GLU A 268 28.417 15.446 7.441 1.00 49.10 O +ATOM 1924 CB GLU A 268 27.534 12.608 8.831 1.00 52.93 C +ATOM 1925 CG GLU A 268 28.594 12.092 7.881 1.00 57.66 C +ATOM 1926 CD GLU A 268 28.242 10.716 7.316 1.00 61.41 C +ATOM 1927 OE1 GLU A 268 28.307 9.721 8.079 1.00 63.59 O +ATOM 1928 OE2 GLU A 268 27.890 10.632 6.112 1.00 62.13 O +ATOM 1929 N MET A 269 26.209 15.381 7.857 1.00 49.84 N +ATOM 1930 CA MET A 269 25.874 16.315 6.777 1.00 50.05 C +ATOM 1931 C MET A 269 26.366 17.711 7.160 1.00 50.65 C +ATOM 1932 O MET A 269 26.963 18.421 6.348 1.00 49.36 O +ATOM 1933 CB MET A 269 24.354 16.343 6.520 1.00 48.71 C +ATOM 1934 CG MET A 269 23.900 17.396 5.486 1.00 46.36 C +ATOM 1935 SD MET A 269 22.175 17.319 4.897 1.00 41.56 S +ATOM 1936 CE MET A 269 21.319 17.063 6.363 1.00 44.42 C +ATOM 1937 N ARG A 270 26.116 18.089 8.409 1.00 51.69 N +ATOM 1938 CA ARG A 270 26.531 19.382 8.940 1.00 52.67 C +ATOM 1939 C ARG A 270 28.047 19.507 8.808 1.00 53.39 C +ATOM 1940 O ARG A 270 28.565 20.524 8.352 1.00 52.87 O +ATOM 1941 CB ARG A 270 26.127 19.471 10.408 1.00 53.82 C +ATOM 1942 CG ARG A 270 26.208 20.857 11.011 1.00 57.54 C +ATOM 1943 CD ARG A 270 25.705 20.864 12.468 1.00 59.97 C +ATOM 1944 NE ARG A 270 25.447 22.224 12.941 1.00 62.32 N +ATOM 1945 CZ ARG A 270 26.387 23.087 13.328 1.00 62.17 C +ATOM 1946 NH1 ARG A 270 27.670 22.731 13.323 1.00 59.29 N +ATOM 1947 NH2 ARG A 270 26.037 24.328 13.669 1.00 62.34 N +ATOM 1948 N ALA A 271 28.753 18.455 9.213 1.00 54.74 N +ATOM 1949 CA ALA A 271 30.211 18.417 9.141 1.00 54.77 C +ATOM 1950 C ALA A 271 30.685 18.820 7.744 1.00 54.97 C +ATOM 1951 O ALA A 271 31.667 19.548 7.601 1.00 55.85 O +ATOM 1952 CB ALA A 271 30.710 17.017 9.485 1.00 52.91 C +ATOM 1953 N ASP A 272 29.974 18.354 6.721 1.00 55.09 N +ATOM 1954 CA ASP A 272 30.326 18.665 5.346 1.00 54.54 C +ATOM 1955 C ASP A 272 29.746 19.976 4.894 1.00 53.63 C +ATOM 1956 O ASP A 272 29.898 20.342 3.749 1.00 54.63 O +ATOM 1957 CB ASP A 272 29.868 17.558 4.401 1.00 56.13 C +ATOM 1958 CG ASP A 272 30.996 17.051 3.520 1.00 57.91 C +ATOM 1959 OD1 ASP A 272 32.124 16.901 4.048 1.00 58.41 O +ATOM 1960 OD2 ASP A 272 30.754 16.794 2.320 1.00 57.31 O +ATOM 1961 N LEU A 273 29.056 20.673 5.785 1.00 53.77 N +ATOM 1962 CA LEU A 273 28.501 21.984 5.458 1.00 53.46 C +ATOM 1963 C LEU A 273 29.431 22.990 6.117 1.00 53.92 C +ATOM 1964 O LEU A 273 29.767 24.021 5.537 1.00 54.82 O +ATOM 1965 CB LEU A 273 27.085 22.144 6.011 1.00 52.21 C +ATOM 1966 CG LEU A 273 25.933 21.676 5.116 1.00 52.30 C +ATOM 1967 CD1 LEU A 273 24.664 21.507 5.939 1.00 52.46 C +ATOM 1968 CD2 LEU A 273 25.720 22.675 4.002 1.00 52.31 C +ATOM 1969 N VAL A 274 29.855 22.674 7.337 1.00 54.26 N +ATOM 1970 CA VAL A 274 30.776 23.537 8.062 1.00 54.05 C +ATOM 1971 C VAL A 274 32.049 23.567 7.238 1.00 54.20 C +ATOM 1972 O VAL A 274 32.705 24.595 7.144 1.00 54.76 O +ATOM 1973 CB VAL A 274 31.113 22.989 9.465 1.00 53.82 C +ATOM 1974 CG1 VAL A 274 31.899 24.022 10.234 1.00 53.49 C +ATOM 1975 CG2 VAL A 274 29.844 22.628 10.216 1.00 53.51 C +ATOM 1976 N ARG A 275 32.393 22.435 6.634 1.00 54.79 N +ATOM 1977 CA ARG A 275 33.586 22.380 5.803 1.00 55.89 C +ATOM 1978 C ARG A 275 33.460 23.412 4.685 1.00 56.02 C +ATOM 1979 O ARG A 275 34.253 24.354 4.621 1.00 56.00 O +ATOM 1980 CB ARG A 275 33.792 20.971 5.216 1.00 55.63 C +ATOM 1981 CG ARG A 275 34.076 19.902 6.281 1.00 56.54 C +ATOM 1982 CD ARG A 275 34.662 18.604 5.702 1.00 56.50 C +ATOM 1983 NE ARG A 275 34.896 17.587 6.734 1.00 54.54 N +ATOM 1984 CZ ARG A 275 33.978 16.725 7.169 1.00 53.88 C +ATOM 1985 NH1 ARG A 275 32.748 16.741 6.661 1.00 52.97 N +ATOM 1986 NH2 ARG A 275 34.290 15.853 8.123 1.00 50.84 N +ATOM 1987 N VAL A 276 32.456 23.249 3.824 1.00 56.27 N +ATOM 1988 CA VAL A 276 32.247 24.181 2.719 1.00 56.42 C +ATOM 1989 C VAL A 276 32.125 25.622 3.203 1.00 58.08 C +ATOM 1990 O VAL A 276 32.601 26.543 2.540 1.00 57.99 O +ATOM 1991 CB VAL A 276 30.983 23.834 1.898 1.00 55.15 C +ATOM 1992 CG1 VAL A 276 30.636 24.985 0.953 1.00 54.12 C +ATOM 1993 CG2 VAL A 276 31.222 22.582 1.087 1.00 54.34 C +ATOM 1994 N HIS A 277 31.492 25.820 4.356 1.00 59.52 N +ATOM 1995 CA HIS A 277 31.332 27.167 4.877 1.00 61.56 C +ATOM 1996 C HIS A 277 32.679 27.825 5.083 1.00 62.84 C +ATOM 1997 O HIS A 277 32.868 28.984 4.718 1.00 63.88 O +ATOM 1998 CB HIS A 277 30.579 27.180 6.200 1.00 62.48 C +ATOM 1999 CG HIS A 277 30.211 28.561 6.660 1.00 62.64 C +ATOM 2000 ND1 HIS A 277 29.457 29.424 5.889 1.00 61.93 N +ATOM 2001 CD2 HIS A 277 30.463 29.213 7.819 1.00 61.56 C +ATOM 2002 CE1 HIS A 277 29.258 30.545 6.557 1.00 62.71 C +ATOM 2003 NE2 HIS A 277 29.856 30.443 7.731 1.00 62.75 N +ATOM 2004 N ASN A 278 33.609 27.108 5.700 1.00 63.76 N +ATOM 2005 CA ASN A 278 34.933 27.671 5.886 1.00 64.60 C +ATOM 2006 C ASN A 278 35.419 27.793 4.443 1.00 65.16 C +ATOM 2007 O ASN A 278 34.970 28.663 3.698 1.00 65.49 O +ATOM 2008 CB ASN A 278 35.835 26.715 6.682 1.00 65.13 C +ATOM 2009 CG ASN A 278 35.168 26.192 7.956 1.00 65.88 C +ATOM 2010 OD1 ASN A 278 34.534 26.947 8.701 1.00 65.64 O +ATOM 2011 ND2 ASN A 278 35.322 24.889 8.213 1.00 66.03 N +ATOM 2012 N GLY A 279 36.310 26.907 4.030 1.00 65.49 N +ATOM 2013 CA GLY A 279 36.792 26.969 2.663 1.00 66.76 C +ATOM 2014 C GLY A 279 37.328 25.615 2.275 1.00 67.36 C +ATOM 2015 O GLY A 279 37.923 25.429 1.206 1.00 66.01 O +ATOM 2016 N GLU A 280 37.094 24.662 3.172 1.00 68.91 N +ATOM 2017 CA GLU A 280 37.551 23.303 2.992 1.00 70.37 C +ATOM 2018 C GLU A 280 36.817 22.505 1.934 1.00 70.42 C +ATOM 2019 O GLU A 280 35.698 22.852 1.540 1.00 70.71 O +ATOM 2020 CB GLU A 280 37.479 22.551 4.310 1.00 71.90 C +ATOM 2021 CG GLU A 280 38.785 22.542 5.056 1.00 75.67 C +ATOM 2022 CD GLU A 280 38.874 23.632 6.100 1.00 77.51 C +ATOM 2023 OE1 GLU A 280 38.091 23.565 7.083 1.00 77.95 O +ATOM 2024 OE2 GLU A 280 39.728 24.545 5.933 1.00 79.76 O +ATOM 2025 N PRO A 281 37.469 21.427 1.442 1.00 70.39 N +ATOM 2026 CA PRO A 281 36.948 20.512 0.427 1.00 69.62 C +ATOM 2027 C PRO A 281 35.872 19.615 1.014 1.00 68.55 C +ATOM 2028 O PRO A 281 35.982 19.115 2.134 1.00 68.19 O +ATOM 2029 CB PRO A 281 38.177 19.701 0.015 1.00 69.13 C +ATOM 2030 CG PRO A 281 39.300 20.627 0.265 1.00 69.35 C +ATOM 2031 CD PRO A 281 38.922 21.219 1.601 1.00 70.21 C +ATOM 2032 N PRO A 282 34.796 19.429 0.265 1.00 68.47 N +ATOM 2033 CA PRO A 282 33.703 18.575 0.726 1.00 68.66 C +ATOM 2034 C PRO A 282 34.170 17.118 0.691 1.00 68.19 C +ATOM 2035 O PRO A 282 34.729 16.667 -0.313 1.00 68.73 O +ATOM 2036 CB PRO A 282 32.606 18.826 -0.311 1.00 69.34 C +ATOM 2037 CG PRO A 282 32.909 20.230 -0.813 1.00 69.86 C +ATOM 2038 CD PRO A 282 34.408 20.223 -0.915 1.00 68.72 C +ATOM 2039 N GLU A 283 33.960 16.386 1.779 1.00 67.93 N +ATOM 2040 CA GLU A 283 34.322 14.970 1.806 1.00 66.80 C +ATOM 2041 C GLU A 283 33.207 14.224 1.096 1.00 65.79 C +ATOM 2042 O GLU A 283 32.871 13.095 1.446 1.00 65.55 O +ATOM 2043 CB GLU A 283 34.459 14.461 3.240 1.00 66.94 C +ATOM 2044 CG GLU A 283 35.816 14.749 3.849 1.00 66.80 C +ATOM 2045 CD GLU A 283 35.866 14.455 5.330 1.00 66.69 C +ATOM 2046 OE1 GLU A 283 35.478 13.331 5.739 1.00 64.85 O +ATOM 2047 OE2 GLU A 283 36.300 15.358 6.082 1.00 67.07 O +ATOM 2048 N ALA A 284 32.622 14.904 0.115 1.00 64.90 N +ATOM 2049 CA ALA A 284 31.553 14.366 -0.706 1.00 64.65 C +ATOM 2050 C ALA A 284 32.243 14.051 -2.023 1.00 64.57 C +ATOM 2051 O ALA A 284 33.255 14.665 -2.347 1.00 65.15 O +ATOM 2052 CB ALA A 284 30.463 15.416 -0.905 1.00 63.65 C +ATOM 2053 N PRO A 285 31.721 13.083 -2.789 1.00 64.57 N +ATOM 2054 CA PRO A 285 32.278 12.664 -4.083 1.00 65.21 C +ATOM 2055 C PRO A 285 32.026 13.595 -5.282 1.00 66.32 C +ATOM 2056 O PRO A 285 31.838 14.805 -5.120 1.00 66.41 O +ATOM 2057 CB PRO A 285 31.640 11.292 -4.292 1.00 64.54 C +ATOM 2058 CG PRO A 285 31.373 10.827 -2.917 1.00 63.72 C +ATOM 2059 CD PRO A 285 30.811 12.053 -2.276 1.00 63.96 C +ATOM 2060 N LYS A 286 32.028 12.990 -6.476 1.00 67.69 N +ATOM 2061 CA LYS A 286 31.805 13.639 -7.784 1.00 69.13 C +ATOM 2062 C LYS A 286 31.750 15.163 -7.787 1.00 69.84 C +ATOM 2063 O LYS A 286 30.656 15.702 -8.093 1.00 69.95 O +ATOM 2064 CB LYS A 286 30.519 13.091 -8.448 1.00 69.68 C +ATOM 2065 CG LYS A 286 30.315 13.512 -9.933 1.00 69.91 C +ATOM 2066 CD LYS A 286 29.042 12.896 -10.542 1.00 69.04 C +ATOM 2067 CE LYS A 286 29.050 12.938 -12.077 1.00 68.77 C +ATOM 2068 NZ LYS A 286 29.066 14.318 -12.663 1.00 67.83 N +TER 2069 LYS A 286 +ATOM 2070 N MET B 1 7.543 14.106 52.700 1.00 78.76 N +ATOM 2071 CA MET B 1 6.313 13.256 52.871 1.00 79.34 C +ATOM 2072 C MET B 1 4.995 14.061 52.797 1.00 78.25 C +ATOM 2073 O MET B 1 4.043 13.620 52.132 1.00 78.04 O +ATOM 2074 CB MET B 1 6.344 12.484 54.217 1.00 80.32 C +ATOM 2075 CG MET B 1 7.629 11.696 54.526 1.00 81.73 C +ATOM 2076 SD MET B 1 8.251 10.639 53.160 1.00 83.34 S +ATOM 2077 CE MET B 1 9.556 11.811 52.387 1.00 81.16 C +ATOM 2078 N THR B 2 4.937 15.224 53.466 1.00 76.74 N +ATOM 2079 CA THR B 2 3.711 16.038 53.474 1.00 75.34 C +ATOM 2080 C THR B 2 3.439 16.830 52.196 1.00 74.90 C +ATOM 2081 O THR B 2 2.386 17.468 52.082 1.00 74.90 O +ATOM 2082 CB THR B 2 3.637 17.020 54.678 1.00 74.86 C +ATOM 2083 OG1 THR B 2 4.424 18.186 54.408 1.00 74.56 O +ATOM 2084 CG2 THR B 2 4.128 16.348 55.940 1.00 73.90 C +ATOM 2085 N THR B 3 4.379 16.829 51.252 1.00 73.74 N +ATOM 2086 CA THR B 3 4.103 17.494 49.982 1.00 73.22 C +ATOM 2087 C THR B 3 3.365 16.376 49.204 1.00 71.46 C +ATOM 2088 O THR B 3 3.824 15.232 49.161 1.00 71.28 O +ATOM 2089 CB THR B 3 5.411 17.961 49.229 1.00 73.85 C +ATOM 2090 OG1 THR B 3 6.266 16.841 48.984 1.00 75.28 O +ATOM 2091 CG2 THR B 3 6.178 19.003 50.055 1.00 74.90 C +ATOM 2092 N PRO B 4 2.191 16.684 48.622 1.00 69.78 N +ATOM 2093 CA PRO B 4 1.393 15.709 47.868 1.00 68.31 C +ATOM 2094 C PRO B 4 2.161 14.844 46.888 1.00 67.84 C +ATOM 2095 O PRO B 4 3.373 14.982 46.737 1.00 67.52 O +ATOM 2096 CB PRO B 4 0.357 16.579 47.172 1.00 67.98 C +ATOM 2097 CG PRO B 4 0.116 17.652 48.184 1.00 68.14 C +ATOM 2098 CD PRO B 4 1.530 18.002 48.620 1.00 69.15 C +ATOM 2099 N SER B 5 1.439 13.943 46.228 1.00 68.00 N +ATOM 2100 CA SER B 5 2.038 13.042 45.249 1.00 68.56 C +ATOM 2101 C SER B 5 1.695 13.499 43.842 1.00 69.20 C +ATOM 2102 O SER B 5 2.388 13.152 42.878 1.00 70.25 O +ATOM 2103 CB SER B 5 1.549 11.607 45.459 1.00 67.54 C +ATOM 2104 OG SER B 5 2.198 11.017 46.568 1.00 66.59 O +ATOM 2105 N HIS B 6 0.621 14.274 43.734 1.00 68.73 N +ATOM 2106 CA HIS B 6 0.188 14.802 42.453 1.00 68.42 C +ATOM 2107 C HIS B 6 -0.200 16.257 42.599 1.00 68.52 C +ATOM 2108 O HIS B 6 -1.307 16.575 43.059 1.00 69.49 O +ATOM 2109 CB HIS B 6 -0.997 14.009 41.915 1.00 68.47 C +ATOM 2110 CG HIS B 6 -0.663 12.587 41.611 1.00 69.54 C +ATOM 2111 ND1 HIS B 6 0.324 12.234 40.717 1.00 69.52 N +ATOM 2112 CD2 HIS B 6 -1.150 11.428 42.112 1.00 70.57 C +ATOM 2113 CE1 HIS B 6 0.434 10.919 40.681 1.00 69.30 C +ATOM 2114 NE2 HIS B 6 -0.449 10.406 41.518 1.00 70.50 N +ATOM 2115 N LEU B 7 0.724 17.139 42.222 1.00 67.25 N +ATOM 2116 CA LEU B 7 0.475 18.573 42.287 1.00 65.02 C +ATOM 2117 C LEU B 7 -0.517 18.892 41.166 1.00 63.39 C +ATOM 2118 O LEU B 7 -0.275 18.568 40.002 1.00 62.20 O +ATOM 2119 CB LEU B 7 1.788 19.363 42.104 1.00 64.73 C +ATOM 2120 CG LEU B 7 2.922 19.108 43.111 1.00 62.95 C +ATOM 2121 CD1 LEU B 7 4.026 20.101 42.893 1.00 61.85 C +ATOM 2122 CD2 LEU B 7 2.403 19.242 44.534 1.00 63.54 C +ATOM 2123 N SER B 8 -1.640 19.505 41.533 1.00 61.78 N +ATOM 2124 CA SER B 8 -2.680 19.845 40.571 1.00 59.67 C +ATOM 2125 C SER B 8 -3.058 18.571 39.803 1.00 59.32 C +ATOM 2126 O SER B 8 -3.590 18.612 38.692 1.00 57.23 O +ATOM 2127 CB SER B 8 -2.171 20.945 39.632 1.00 58.74 C +ATOM 2128 OG SER B 8 -1.918 22.148 40.347 1.00 53.88 O +ATOM 2129 N ASP B 9 -2.782 17.437 40.445 1.00 60.60 N +ATOM 2130 CA ASP B 9 -3.050 16.104 39.902 1.00 61.81 C +ATOM 2131 C ASP B 9 -2.416 15.863 38.549 1.00 60.57 C +ATOM 2132 O ASP B 9 -2.723 14.881 37.879 1.00 60.59 O +ATOM 2133 CB ASP B 9 -4.553 15.838 39.809 1.00 63.89 C +ATOM 2134 CG ASP B 9 -5.184 15.680 41.164 1.00 66.38 C +ATOM 2135 OD1 ASP B 9 -4.591 14.953 41.997 1.00 67.39 O +ATOM 2136 OD2 ASP B 9 -6.263 16.278 41.393 1.00 68.67 O +ATOM 2137 N ARG B 10 -1.512 16.749 38.162 1.00 58.79 N +ATOM 2138 CA ARG B 10 -0.843 16.611 36.891 1.00 56.67 C +ATOM 2139 C ARG B 10 0.622 16.204 37.016 1.00 56.43 C +ATOM 2140 O ARG B 10 1.120 15.391 36.234 1.00 56.68 O +ATOM 2141 CB ARG B 10 -0.936 17.916 36.126 1.00 54.45 C +ATOM 2142 CG ARG B 10 -0.207 17.838 34.851 1.00 52.94 C +ATOM 2143 CD ARG B 10 -0.348 19.078 34.083 1.00 51.33 C +ATOM 2144 NE ARG B 10 0.657 19.097 33.042 1.00 48.81 N +ATOM 2145 CZ ARG B 10 0.729 20.039 32.126 1.00 47.31 C +ATOM 2146 NH1 ARG B 10 -0.155 21.026 32.133 1.00 45.63 N +ATOM 2147 NH2 ARG B 10 1.687 19.994 31.221 1.00 49.13 N +ATOM 2148 N TYR B 11 1.308 16.782 37.996 1.00 55.96 N +ATOM 2149 CA TYR B 11 2.719 16.504 38.222 1.00 54.96 C +ATOM 2150 C TYR B 11 2.887 15.511 39.363 1.00 55.35 C +ATOM 2151 O TYR B 11 2.406 15.738 40.476 1.00 55.10 O +ATOM 2152 CB TYR B 11 3.443 17.817 38.526 1.00 53.86 C +ATOM 2153 CG TYR B 11 3.346 18.820 37.392 1.00 53.48 C +ATOM 2154 CD1 TYR B 11 4.105 18.661 36.233 1.00 53.64 C +ATOM 2155 CD2 TYR B 11 2.475 19.904 37.456 1.00 53.25 C +ATOM 2156 CE1 TYR B 11 4.005 19.551 35.164 1.00 52.73 C +ATOM 2157 CE2 TYR B 11 2.364 20.807 36.382 1.00 53.62 C +ATOM 2158 CZ TYR B 11 3.138 20.622 35.239 1.00 53.60 C +ATOM 2159 OH TYR B 11 3.076 21.510 34.178 1.00 53.04 O +ATOM 2160 N GLU B 12 3.559 14.399 39.069 1.00 56.79 N +ATOM 2161 CA GLU B 12 3.801 13.340 40.054 1.00 57.74 C +ATOM 2162 C GLU B 12 5.207 13.435 40.609 1.00 57.10 C +ATOM 2163 O GLU B 12 6.165 13.141 39.902 1.00 56.35 O +ATOM 2164 CB GLU B 12 3.610 11.964 39.418 1.00 59.58 C +ATOM 2165 CG GLU B 12 3.857 10.825 40.392 1.00 64.58 C +ATOM 2166 CD GLU B 12 3.398 9.468 39.865 1.00 67.24 C +ATOM 2167 OE1 GLU B 12 3.846 9.075 38.758 1.00 67.83 O +ATOM 2168 OE2 GLU B 12 2.597 8.792 40.566 1.00 69.33 O +ATOM 2169 N LEU B 13 5.326 13.830 41.875 1.00 56.79 N +ATOM 2170 CA LEU B 13 6.635 13.985 42.497 1.00 56.34 C +ATOM 2171 C LEU B 13 7.312 12.648 42.780 1.00 56.14 C +ATOM 2172 O LEU B 13 6.653 11.662 43.097 1.00 56.60 O +ATOM 2173 CB LEU B 13 6.516 14.790 43.793 1.00 56.06 C +ATOM 2174 CG LEU B 13 5.816 16.159 43.748 1.00 57.62 C +ATOM 2175 CD1 LEU B 13 5.906 16.846 45.111 1.00 57.50 C +ATOM 2176 CD2 LEU B 13 6.463 17.047 42.692 1.00 59.84 C +ATOM 2177 N GLY B 14 8.633 12.624 42.644 1.00 55.68 N +ATOM 2178 CA GLY B 14 9.393 11.415 42.903 1.00 55.94 C +ATOM 2179 C GLY B 14 10.510 11.723 43.885 1.00 56.26 C +ATOM 2180 O GLY B 14 10.294 12.385 44.910 1.00 56.41 O +ATOM 2181 N GLU B 15 11.718 11.268 43.579 1.00 55.83 N +ATOM 2182 CA GLU B 15 12.835 11.527 44.473 1.00 55.78 C +ATOM 2183 C GLU B 15 13.102 13.023 44.591 1.00 55.14 C +ATOM 2184 O GLU B 15 12.876 13.792 43.660 1.00 55.37 O +ATOM 2185 CB GLU B 15 14.102 10.814 43.987 1.00 56.60 C +ATOM 2186 CG GLU B 15 14.693 11.392 42.709 1.00 58.92 C +ATOM 2187 CD GLU B 15 15.980 10.700 42.281 1.00 59.30 C +ATOM 2188 OE1 GLU B 15 16.909 10.601 43.119 1.00 59.48 O +ATOM 2189 OE2 GLU B 15 16.057 10.264 41.105 1.00 58.01 O +ATOM 2190 N ILE B 16 13.580 13.425 45.757 1.00 54.75 N +ATOM 2191 CA ILE B 16 13.906 14.813 46.009 1.00 52.51 C +ATOM 2192 C ILE B 16 15.328 15.028 45.517 1.00 51.34 C +ATOM 2193 O ILE B 16 16.239 14.294 45.887 1.00 50.52 O +ATOM 2194 CB ILE B 16 13.810 15.134 47.515 1.00 51.95 C +ATOM 2195 CG1 ILE B 16 14.017 16.622 47.749 1.00 51.68 C +ATOM 2196 CG2 ILE B 16 14.835 14.348 48.283 1.00 51.02 C +ATOM 2197 CD1 ILE B 16 13.743 17.026 49.165 1.00 52.74 C +ATOM 2198 N LEU B 17 15.499 16.027 44.658 1.00 51.04 N +ATOM 2199 CA LEU B 17 16.799 16.365 44.085 1.00 50.32 C +ATOM 2200 C LEU B 17 17.624 17.142 45.108 1.00 49.65 C +ATOM 2201 O LEU B 17 18.807 16.877 45.304 1.00 49.04 O +ATOM 2202 CB LEU B 17 16.594 17.197 42.808 1.00 51.35 C +ATOM 2203 CG LEU B 17 15.800 16.500 41.683 1.00 51.63 C +ATOM 2204 CD1 LEU B 17 15.224 17.506 40.708 1.00 49.80 C +ATOM 2205 CD2 LEU B 17 16.713 15.524 40.960 1.00 51.99 C +ATOM 2206 N GLY B 18 16.977 18.096 45.767 1.00 49.81 N +ATOM 2207 CA GLY B 18 17.646 18.906 46.770 1.00 48.84 C +ATOM 2208 C GLY B 18 16.669 19.821 47.489 1.00 47.94 C +ATOM 2209 O GLY B 18 15.473 19.827 47.194 1.00 46.88 O +ATOM 2210 N PHE B 19 17.170 20.590 48.445 1.00 47.00 N +ATOM 2211 CA PHE B 19 16.312 21.505 49.176 1.00 47.25 C +ATOM 2212 C PHE B 19 17.101 22.679 49.716 1.00 47.27 C +ATOM 2213 O PHE B 19 18.079 22.511 50.437 1.00 47.15 O +ATOM 2214 CB PHE B 19 15.575 20.769 50.299 1.00 47.22 C +ATOM 2215 CG PHE B 19 16.454 20.320 51.425 1.00 48.06 C +ATOM 2216 CD1 PHE B 19 16.552 21.073 52.586 1.00 47.55 C +ATOM 2217 CD2 PHE B 19 17.178 19.136 51.331 1.00 48.13 C +ATOM 2218 CE1 PHE B 19 17.359 20.652 53.636 1.00 48.52 C +ATOM 2219 CE2 PHE B 19 17.987 18.710 52.377 1.00 48.02 C +ATOM 2220 CZ PHE B 19 18.077 19.467 53.528 1.00 47.94 C +ATOM 2221 N GLY B 20 16.674 23.873 49.328 1.00 48.07 N +ATOM 2222 CA GLY B 20 17.343 25.083 49.753 1.00 49.19 C +ATOM 2223 C GLY B 20 16.766 25.587 51.050 1.00 49.58 C +ATOM 2224 O GLY B 20 16.029 24.861 51.709 1.00 47.54 O +ATOM 2225 N GLY B 21 17.106 26.823 51.409 1.00 51.02 N +ATOM 2226 CA GLY B 21 16.606 27.404 52.643 1.00 53.70 C +ATOM 2227 C GLY B 21 15.231 28.014 52.438 1.00 55.83 C +ATOM 2228 O GLY B 21 14.693 28.700 53.311 1.00 55.41 O +ATOM 2229 N MET B 22 14.653 27.759 51.268 1.00 57.39 N +ATOM 2230 CA MET B 22 13.335 28.289 50.939 1.00 57.69 C +ATOM 2231 C MET B 22 12.408 27.202 50.433 1.00 56.26 C +ATOM 2232 O MET B 22 11.290 27.059 50.919 1.00 56.99 O +ATOM 2233 CB MET B 22 13.466 29.380 49.877 1.00 60.24 C +ATOM 2234 CG MET B 22 12.174 30.060 49.462 1.00 62.25 C +ATOM 2235 SD MET B 22 12.602 31.497 48.423 1.00 68.53 S +ATOM 2236 CE MET B 22 11.294 32.775 48.897 1.00 64.23 C +ATOM 2237 N SER B 23 12.886 26.423 49.471 1.00 53.42 N +ATOM 2238 CA SER B 23 12.076 25.369 48.887 1.00 50.98 C +ATOM 2239 C SER B 23 12.724 23.996 48.930 1.00 49.09 C +ATOM 2240 O SER B 23 13.765 23.796 49.543 1.00 48.11 O +ATOM 2241 CB SER B 23 11.803 25.717 47.439 1.00 50.92 C +ATOM 2242 OG SER B 23 13.038 25.774 46.750 1.00 51.57 O +ATOM 2243 N GLU B 24 12.069 23.060 48.258 1.00 47.70 N +ATOM 2244 CA GLU B 24 12.534 21.691 48.121 1.00 47.02 C +ATOM 2245 C GLU B 24 12.424 21.404 46.630 1.00 45.97 C +ATOM 2246 O GLU B 24 11.449 21.808 46.011 1.00 48.20 O +ATOM 2247 CB GLU B 24 11.617 20.735 48.876 1.00 47.84 C +ATOM 2248 CG GLU B 24 11.662 20.847 50.385 1.00 49.65 C +ATOM 2249 CD GLU B 24 10.555 21.705 50.968 1.00 51.99 C +ATOM 2250 OE1 GLU B 24 9.406 21.640 50.464 1.00 53.42 O +ATOM 2251 OE2 GLU B 24 10.829 22.426 51.952 1.00 53.12 O +ATOM 2252 N VAL B 25 13.400 20.735 46.033 1.00 43.56 N +ATOM 2253 CA VAL B 25 13.290 20.446 44.607 1.00 42.87 C +ATOM 2254 C VAL B 25 13.149 18.960 44.370 1.00 42.96 C +ATOM 2255 O VAL B 25 13.972 18.169 44.813 1.00 43.20 O +ATOM 2256 CB VAL B 25 14.490 20.957 43.831 1.00 42.81 C +ATOM 2257 CG1 VAL B 25 14.254 20.798 42.351 1.00 40.91 C +ATOM 2258 CG2 VAL B 25 14.724 22.403 44.175 1.00 43.79 C +ATOM 2259 N HIS B 26 12.090 18.588 43.667 1.00 42.73 N +ATOM 2260 CA HIS B 26 11.809 17.196 43.383 1.00 43.83 C +ATOM 2261 C HIS B 26 11.955 16.856 41.917 1.00 44.32 C +ATOM 2262 O HIS B 26 12.039 17.726 41.056 1.00 45.30 O +ATOM 2263 CB HIS B 26 10.373 16.862 43.771 1.00 43.75 C +ATOM 2264 CG HIS B 26 10.075 17.034 45.222 1.00 45.92 C +ATOM 2265 ND1 HIS B 26 9.840 15.969 46.064 1.00 47.74 N +ATOM 2266 CD2 HIS B 26 9.961 18.147 45.983 1.00 46.74 C +ATOM 2267 CE1 HIS B 26 9.593 16.418 47.281 1.00 47.23 C +ATOM 2268 NE2 HIS B 26 9.661 17.737 47.260 1.00 47.70 N +ATOM 2269 N LEU B 27 11.986 15.563 41.649 1.00 44.16 N +ATOM 2270 CA LEU B 27 12.016 15.075 40.290 1.00 44.02 C +ATOM 2271 C LEU B 27 10.579 14.604 40.151 1.00 43.72 C +ATOM 2272 O LEU B 27 10.172 13.673 40.840 1.00 44.36 O +ATOM 2273 CB LEU B 27 12.944 13.878 40.149 1.00 45.75 C +ATOM 2274 CG LEU B 27 12.781 13.184 38.791 1.00 47.25 C +ATOM 2275 CD1 LEU B 27 13.359 14.067 37.702 1.00 47.25 C +ATOM 2276 CD2 LEU B 27 13.467 11.820 38.802 1.00 48.68 C +ATOM 2277 N ALA B 28 9.794 15.253 39.302 1.00 42.15 N +ATOM 2278 CA ALA B 28 8.410 14.846 39.145 1.00 40.40 C +ATOM 2279 C ALA B 28 8.139 14.447 37.710 1.00 41.21 C +ATOM 2280 O ALA B 28 9.041 14.450 36.876 1.00 39.76 O +ATOM 2281 CB ALA B 28 7.506 15.964 39.546 1.00 38.77 C +ATOM 2282 N ARG B 29 6.901 14.074 37.417 1.00 43.35 N +ATOM 2283 CA ARG B 29 6.570 13.716 36.048 1.00 45.96 C +ATOM 2284 C ARG B 29 5.323 14.415 35.504 1.00 46.79 C +ATOM 2285 O ARG B 29 4.293 14.521 36.176 1.00 46.55 O +ATOM 2286 CB ARG B 29 6.402 12.205 35.888 1.00 46.20 C +ATOM 2287 CG ARG B 29 6.606 11.803 34.454 1.00 47.50 C +ATOM 2288 CD ARG B 29 6.048 10.465 34.141 1.00 50.66 C +ATOM 2289 NE ARG B 29 6.211 10.166 32.721 1.00 53.92 N +ATOM 2290 CZ ARG B 29 7.387 10.064 32.105 1.00 54.72 C +ATOM 2291 NH1 ARG B 29 8.513 10.233 32.789 1.00 54.72 N +ATOM 2292 NH2 ARG B 29 7.435 9.802 30.799 1.00 55.84 N +ATOM 2293 N ASP B 30 5.437 14.903 34.278 1.00 47.57 N +ATOM 2294 CA ASP B 30 4.322 15.562 33.636 1.00 49.76 C +ATOM 2295 C ASP B 30 3.488 14.422 33.092 1.00 50.74 C +ATOM 2296 O ASP B 30 3.832 13.828 32.060 1.00 50.97 O +ATOM 2297 CB ASP B 30 4.804 16.433 32.479 1.00 50.15 C +ATOM 2298 CG ASP B 30 3.770 17.448 32.051 1.00 50.85 C +ATOM 2299 OD1 ASP B 30 2.557 17.106 32.047 1.00 47.82 O +ATOM 2300 OD2 ASP B 30 4.186 18.586 31.716 1.00 52.26 O +ATOM 2301 N LEU B 31 2.405 14.099 33.793 1.00 51.00 N +ATOM 2302 CA LEU B 31 1.534 13.013 33.363 1.00 50.78 C +ATOM 2303 C LEU B 31 0.843 13.326 32.055 1.00 50.52 C +ATOM 2304 O LEU B 31 0.237 12.454 31.452 1.00 50.96 O +ATOM 2305 CB LEU B 31 0.492 12.703 34.432 1.00 49.62 C +ATOM 2306 CG LEU B 31 1.093 12.083 35.684 1.00 49.04 C +ATOM 2307 CD1 LEU B 31 -0.005 11.652 36.630 1.00 48.00 C +ATOM 2308 CD2 LEU B 31 1.951 10.902 35.276 1.00 49.84 C +ATOM 2309 N ARG B 32 0.931 14.578 31.621 1.00 50.33 N +ATOM 2310 CA ARG B 32 0.323 14.972 30.365 1.00 49.47 C +ATOM 2311 C ARG B 32 1.347 14.903 29.241 1.00 48.84 C +ATOM 2312 O ARG B 32 1.123 14.206 28.254 1.00 50.03 O +ATOM 2313 CB ARG B 32 -0.251 16.384 30.464 1.00 50.14 C +ATOM 2314 CG ARG B 32 -1.636 16.450 31.059 1.00 50.89 C +ATOM 2315 CD ARG B 32 -2.089 17.884 31.218 1.00 53.46 C +ATOM 2316 NE ARG B 32 -3.523 17.981 31.480 1.00 56.37 N +ATOM 2317 CZ ARG B 32 -4.153 19.117 31.770 1.00 57.49 C +ATOM 2318 NH1 ARG B 32 -3.474 20.258 31.843 1.00 57.80 N +ATOM 2319 NH2 ARG B 32 -5.463 19.118 31.976 1.00 57.30 N +ATOM 2320 N LEU B 33 2.472 15.601 29.397 1.00 47.23 N +ATOM 2321 CA LEU B 33 3.520 15.630 28.373 1.00 46.34 C +ATOM 2322 C LEU B 33 4.483 14.441 28.429 1.00 46.66 C +ATOM 2323 O LEU B 33 5.357 14.293 27.567 1.00 46.04 O +ATOM 2324 CB LEU B 33 4.310 16.933 28.489 1.00 46.55 C +ATOM 2325 CG LEU B 33 3.559 18.211 28.125 1.00 45.29 C +ATOM 2326 CD1 LEU B 33 4.283 19.433 28.664 1.00 42.83 C +ATOM 2327 CD2 LEU B 33 3.419 18.265 26.613 1.00 46.04 C +ATOM 2328 N HIS B 34 4.323 13.611 29.458 1.00 46.30 N +ATOM 2329 CA HIS B 34 5.141 12.418 29.654 1.00 45.31 C +ATOM 2330 C HIS B 34 6.626 12.676 29.626 1.00 44.54 C +ATOM 2331 O HIS B 34 7.361 11.999 28.921 1.00 44.53 O +ATOM 2332 CB HIS B 34 4.812 11.353 28.604 1.00 46.58 C +ATOM 2333 CG HIS B 34 3.379 10.916 28.614 1.00 48.70 C +ATOM 2334 ND1 HIS B 34 2.896 9.933 27.779 1.00 48.89 N +ATOM 2335 CD2 HIS B 34 2.320 11.345 29.340 1.00 49.37 C +ATOM 2336 CE1 HIS B 34 1.601 9.777 27.987 1.00 49.90 C +ATOM 2337 NE2 HIS B 34 1.227 10.622 28.930 1.00 50.14 N +ATOM 2338 N ARG B 35 7.066 13.659 30.394 1.00 44.51 N +ATOM 2339 CA ARG B 35 8.482 13.976 30.470 1.00 44.46 C +ATOM 2340 C ARG B 35 8.803 14.224 31.916 1.00 44.00 C +ATOM 2341 O ARG B 35 7.929 14.636 32.675 1.00 43.36 O +ATOM 2342 CB ARG B 35 8.819 15.228 29.667 1.00 45.20 C +ATOM 2343 CG ARG B 35 8.218 16.507 30.194 1.00 45.13 C +ATOM 2344 CD ARG B 35 8.672 17.657 29.312 1.00 47.42 C +ATOM 2345 NE ARG B 35 8.062 18.941 29.659 1.00 49.05 N +ATOM 2346 CZ ARG B 35 8.154 20.031 28.907 1.00 47.26 C +ATOM 2347 NH1 ARG B 35 8.827 20.005 27.769 1.00 46.21 N +ATOM 2348 NH2 ARG B 35 7.564 21.142 29.288 1.00 48.22 N +ATOM 2349 N ASP B 36 10.047 13.950 32.302 1.00 43.65 N +ATOM 2350 CA ASP B 36 10.474 14.173 33.678 1.00 43.22 C +ATOM 2351 C ASP B 36 10.847 15.641 33.857 1.00 41.55 C +ATOM 2352 O ASP B 36 11.462 16.257 32.987 1.00 41.54 O +ATOM 2353 CB ASP B 36 11.654 13.265 34.036 1.00 43.64 C +ATOM 2354 CG ASP B 36 11.223 11.839 34.334 1.00 44.01 C +ATOM 2355 OD1 ASP B 36 10.265 11.644 35.107 1.00 43.34 O +ATOM 2356 OD2 ASP B 36 11.852 10.908 33.804 1.00 46.91 O +ATOM 2357 N VAL B 37 10.458 16.207 34.987 1.00 38.84 N +ATOM 2358 CA VAL B 37 10.736 17.603 35.228 1.00 36.99 C +ATOM 2359 C VAL B 37 11.170 17.891 36.652 1.00 36.48 C +ATOM 2360 O VAL B 37 11.016 17.066 37.549 1.00 36.34 O +ATOM 2361 CB VAL B 37 9.495 18.457 34.877 1.00 36.45 C +ATOM 2362 CG1 VAL B 37 9.202 18.344 33.396 1.00 35.84 C +ATOM 2363 CG2 VAL B 37 8.289 17.997 35.673 1.00 34.04 C +ATOM 2364 N ALA B 38 11.749 19.063 36.844 1.00 35.45 N +ATOM 2365 CA ALA B 38 12.170 19.471 38.159 1.00 35.05 C +ATOM 2366 C ALA B 38 11.069 20.392 38.617 1.00 35.05 C +ATOM 2367 O ALA B 38 10.643 21.268 37.885 1.00 34.58 O +ATOM 2368 CB ALA B 38 13.474 20.208 38.086 1.00 35.79 C +ATOM 2369 N VAL B 39 10.584 20.170 39.824 1.00 36.34 N +ATOM 2370 CA VAL B 39 9.528 21.000 40.361 1.00 37.96 C +ATOM 2371 C VAL B 39 9.956 21.506 41.727 1.00 39.14 C +ATOM 2372 O VAL B 39 10.114 20.731 42.662 1.00 38.94 O +ATOM 2373 CB VAL B 39 8.216 20.205 40.479 1.00 38.16 C +ATOM 2374 CG1 VAL B 39 7.157 21.040 41.157 1.00 38.12 C +ATOM 2375 CG2 VAL B 39 7.757 19.785 39.103 1.00 36.66 C +ATOM 2376 N LYS B 40 10.166 22.814 41.816 1.00 40.06 N +ATOM 2377 CA LYS B 40 10.580 23.482 43.052 1.00 40.24 C +ATOM 2378 C LYS B 40 9.342 23.847 43.877 1.00 41.57 C +ATOM 2379 O LYS B 40 8.421 24.509 43.385 1.00 41.95 O +ATOM 2380 CB LYS B 40 11.355 24.741 42.685 1.00 39.46 C +ATOM 2381 CG LYS B 40 11.849 25.581 43.817 1.00 37.02 C +ATOM 2382 CD LYS B 40 12.524 26.807 43.237 1.00 35.20 C +ATOM 2383 CE LYS B 40 13.463 27.445 44.223 1.00 35.46 C +ATOM 2384 NZ LYS B 40 14.135 28.623 43.640 1.00 36.81 N +ATOM 2385 N VAL B 41 9.307 23.412 45.129 1.00 41.43 N +ATOM 2386 CA VAL B 41 8.157 23.711 45.960 1.00 41.23 C +ATOM 2387 C VAL B 41 8.491 24.675 47.089 1.00 43.22 C +ATOM 2388 O VAL B 41 9.438 24.458 47.844 1.00 41.84 O +ATOM 2389 CB VAL B 41 7.566 22.429 46.548 1.00 38.47 C +ATOM 2390 CG1 VAL B 41 6.351 22.751 47.373 1.00 36.39 C +ATOM 2391 CG2 VAL B 41 7.203 21.498 45.442 1.00 37.99 C +ATOM 2392 N LEU B 42 7.716 25.753 47.180 1.00 45.64 N +ATOM 2393 CA LEU B 42 7.902 26.735 48.232 1.00 48.14 C +ATOM 2394 C LEU B 42 7.904 25.934 49.518 1.00 51.30 C +ATOM 2395 O LEU B 42 7.069 25.048 49.692 1.00 50.12 O +ATOM 2396 CB LEU B 42 6.749 27.723 48.247 1.00 47.36 C +ATOM 2397 CG LEU B 42 6.934 28.837 49.265 1.00 46.87 C +ATOM 2398 CD1 LEU B 42 8.233 29.578 48.938 1.00 46.61 C +ATOM 2399 CD2 LEU B 42 5.727 29.778 49.250 1.00 44.88 C +ATOM 2400 N ARG B 43 8.834 26.250 50.415 1.00 56.34 N +ATOM 2401 CA ARG B 43 8.961 25.506 51.660 1.00 60.25 C +ATOM 2402 C ARG B 43 7.609 24.999 52.123 1.00 63.35 C +ATOM 2403 O ARG B 43 6.810 25.753 52.704 1.00 61.91 O +ATOM 2404 CB ARG B 43 9.609 26.344 52.767 1.00 59.48 C +ATOM 2405 CG ARG B 43 10.133 25.462 53.896 1.00 60.00 C +ATOM 2406 CD ARG B 43 10.664 26.249 55.056 1.00 60.81 C +ATOM 2407 NE ARG B 43 11.953 26.889 54.794 1.00 61.97 N +ATOM 2408 CZ ARG B 43 12.556 27.696 55.664 1.00 61.13 C +ATOM 2409 NH1 ARG B 43 11.981 27.948 56.830 1.00 60.62 N +ATOM 2410 NH2 ARG B 43 13.721 28.255 55.380 1.00 61.72 N +ATOM 2411 N ALA B 44 7.381 23.712 51.837 1.00 67.82 N +ATOM 2412 CA ALA B 44 6.142 23.001 52.171 1.00 71.83 C +ATOM 2413 C ALA B 44 5.364 23.698 53.306 1.00 73.48 C +ATOM 2414 O ALA B 44 5.531 23.385 54.486 1.00 73.72 O +ATOM 2415 CB ALA B 44 6.461 21.534 52.532 1.00 71.35 C +ATOM 2416 N ASP B 45 4.512 24.644 52.897 1.00 75.66 N +ATOM 2417 CA ASP B 45 3.675 25.481 53.770 1.00 76.38 C +ATOM 2418 C ASP B 45 4.293 25.796 55.128 1.00 75.89 C +ATOM 2419 O ASP B 45 3.609 25.804 56.150 1.00 77.09 O +ATOM 2420 CB ASP B 45 2.262 24.875 53.947 1.00 76.95 C +ATOM 2421 CG ASP B 45 1.145 25.943 53.858 1.00 77.24 C +ATOM 2422 OD1 ASP B 45 0.182 25.769 53.059 1.00 76.61 O +ATOM 2423 OD2 ASP B 45 1.233 26.959 54.590 1.00 77.09 O +ATOM 2424 N LEU B 46 5.594 26.050 55.128 1.00 74.78 N +ATOM 2425 CA LEU B 46 6.285 26.398 56.354 1.00 74.49 C +ATOM 2426 C LEU B 46 6.461 27.902 56.229 1.00 74.93 C +ATOM 2427 O LEU B 46 6.148 28.658 57.150 1.00 74.53 O +ATOM 2428 CB LEU B 46 7.647 25.691 56.417 1.00 74.62 C +ATOM 2429 CG LEU B 46 8.529 25.799 57.672 1.00 74.53 C +ATOM 2430 CD1 LEU B 46 9.620 24.730 57.582 1.00 73.61 C +ATOM 2431 CD2 LEU B 46 9.130 27.207 57.815 1.00 72.38 C +ATOM 2432 N ALA B 47 6.946 28.322 55.059 1.00 75.12 N +ATOM 2433 CA ALA B 47 7.166 29.729 54.764 1.00 75.13 C +ATOM 2434 C ALA B 47 6.102 30.168 53.780 1.00 75.71 C +ATOM 2435 O ALA B 47 6.054 31.332 53.381 1.00 76.44 O +ATOM 2436 CB ALA B 47 8.546 29.927 54.152 1.00 74.41 C +ATOM 2437 N ARG B 48 5.240 29.229 53.406 1.00 76.76 N +ATOM 2438 CA ARG B 48 4.174 29.467 52.426 1.00 78.59 C +ATOM 2439 C ARG B 48 3.271 30.707 52.536 1.00 78.56 C +ATOM 2440 O ARG B 48 2.435 30.918 51.660 1.00 78.83 O +ATOM 2441 CB ARG B 48 3.293 28.190 52.317 1.00 80.18 C +ATOM 2442 CG ARG B 48 1.775 28.370 51.948 1.00 83.38 C +ATOM 2443 CD ARG B 48 1.523 28.906 50.513 1.00 85.53 C +ATOM 2444 NE ARG B 48 0.136 29.343 50.285 1.00 86.90 N +ATOM 2445 CZ ARG B 48 -0.238 30.231 49.351 1.00 87.81 C +ATOM 2446 NH1 ARG B 48 0.668 30.789 48.549 1.00 87.39 N +ATOM 2447 NH2 ARG B 48 -1.523 30.572 49.216 1.00 87.72 N +ATOM 2448 N ASP B 49 3.420 31.579 53.528 1.00 78.59 N +ATOM 2449 CA ASP B 49 2.439 32.653 53.520 1.00 78.37 C +ATOM 2450 C ASP B 49 2.711 34.150 53.700 1.00 77.64 C +ATOM 2451 O ASP B 49 1.860 34.973 53.331 1.00 77.99 O +ATOM 2452 CB ASP B 49 1.296 32.195 54.414 1.00 78.81 C +ATOM 2453 CG ASP B 49 0.733 30.846 53.955 1.00 79.99 C +ATOM 2454 OD1 ASP B 49 0.353 30.751 52.765 1.00 79.63 O +ATOM 2455 OD2 ASP B 49 0.685 29.879 54.755 1.00 81.12 O +ATOM 2456 N PRO B 50 3.876 34.537 54.248 1.00 76.74 N +ATOM 2457 CA PRO B 50 4.072 35.994 54.382 1.00 76.04 C +ATOM 2458 C PRO B 50 4.172 36.675 52.996 1.00 75.56 C +ATOM 2459 O PRO B 50 3.230 36.653 52.183 1.00 75.59 O +ATOM 2460 CB PRO B 50 5.389 36.106 55.177 1.00 76.05 C +ATOM 2461 CG PRO B 50 5.446 34.790 55.964 1.00 75.52 C +ATOM 2462 CD PRO B 50 4.927 33.776 54.953 1.00 76.04 C +ATOM 2463 N SER B 51 5.333 37.274 52.742 1.00 74.27 N +ATOM 2464 CA SER B 51 5.620 37.954 51.483 1.00 72.84 C +ATOM 2465 C SER B 51 6.622 37.095 50.727 1.00 71.36 C +ATOM 2466 O SER B 51 7.406 37.582 49.903 1.00 71.12 O +ATOM 2467 CB SER B 51 6.229 39.329 51.769 1.00 74.03 C +ATOM 2468 OG SER B 51 7.332 39.216 52.657 1.00 74.61 O +ATOM 2469 N PHE B 52 6.594 35.808 51.045 1.00 69.59 N +ATOM 2470 CA PHE B 52 7.478 34.820 50.444 1.00 67.58 C +ATOM 2471 C PHE B 52 6.875 34.231 49.179 1.00 66.22 C +ATOM 2472 O PHE B 52 7.485 34.273 48.115 1.00 65.70 O +ATOM 2473 CB PHE B 52 7.728 33.696 51.443 1.00 67.63 C +ATOM 2474 CG PHE B 52 8.653 34.071 52.548 1.00 65.87 C +ATOM 2475 CD1 PHE B 52 10.029 33.970 52.378 1.00 65.28 C +ATOM 2476 CD2 PHE B 52 8.153 34.540 53.752 1.00 65.03 C +ATOM 2477 CE1 PHE B 52 10.896 34.329 53.387 1.00 64.75 C +ATOM 2478 CE2 PHE B 52 9.010 34.901 54.769 1.00 64.84 C +ATOM 2479 CZ PHE B 52 10.390 34.795 54.584 1.00 64.86 C +ATOM 2480 N TYR B 53 5.678 33.670 49.310 1.00 65.01 N +ATOM 2481 CA TYR B 53 5.005 33.082 48.169 1.00 64.66 C +ATOM 2482 C TYR B 53 4.663 34.188 47.184 1.00 62.68 C +ATOM 2483 O TYR B 53 4.278 33.948 46.040 1.00 61.93 O +ATOM 2484 CB TYR B 53 3.765 32.298 48.636 1.00 67.57 C +ATOM 2485 CG TYR B 53 2.441 33.029 48.775 1.00 69.74 C +ATOM 2486 CD1 TYR B 53 1.640 33.290 47.653 1.00 70.14 C +ATOM 2487 CD2 TYR B 53 1.918 33.327 50.049 1.00 70.93 C +ATOM 2488 CE1 TYR B 53 0.347 33.811 47.795 1.00 71.84 C +ATOM 2489 CE2 TYR B 53 0.626 33.851 50.207 1.00 71.37 C +ATOM 2490 CZ TYR B 53 -0.158 34.087 49.077 1.00 71.78 C +ATOM 2491 OH TYR B 53 -1.444 34.569 49.227 1.00 70.81 O +ATOM 2492 N LEU B 54 4.858 35.412 47.649 1.00 60.79 N +ATOM 2493 CA LEU B 54 4.621 36.596 46.850 1.00 58.48 C +ATOM 2494 C LEU B 54 5.835 36.767 45.932 1.00 56.46 C +ATOM 2495 O LEU B 54 5.710 36.735 44.717 1.00 55.60 O +ATOM 2496 CB LEU B 54 4.464 37.803 47.781 1.00 58.51 C +ATOM 2497 CG LEU B 54 3.384 38.828 47.443 1.00 56.71 C +ATOM 2498 CD1 LEU B 54 3.265 39.828 48.591 1.00 57.40 C +ATOM 2499 CD2 LEU B 54 3.726 39.522 46.137 1.00 56.48 C +ATOM 2500 N ARG B 55 7.012 36.937 46.515 1.00 55.74 N +ATOM 2501 CA ARG B 55 8.215 37.093 45.711 1.00 56.00 C +ATOM 2502 C ARG B 55 8.535 35.784 44.983 1.00 55.18 C +ATOM 2503 O ARG B 55 9.132 35.790 43.905 1.00 54.26 O +ATOM 2504 CB ARG B 55 9.392 37.530 46.592 1.00 56.87 C +ATOM 2505 CG ARG B 55 9.487 36.783 47.897 1.00 58.52 C +ATOM 2506 CD ARG B 55 10.705 37.204 48.707 1.00 61.43 C +ATOM 2507 NE ARG B 55 10.772 38.646 48.984 1.00 62.90 N +ATOM 2508 CZ ARG B 55 11.294 39.174 50.096 1.00 62.50 C +ATOM 2509 NH1 ARG B 55 11.786 38.382 51.047 1.00 60.91 N +ATOM 2510 NH2 ARG B 55 11.341 40.495 50.253 1.00 61.94 N +ATOM 2511 N PHE B 56 8.131 34.666 45.580 1.00 54.35 N +ATOM 2512 CA PHE B 56 8.334 33.349 44.981 1.00 54.02 C +ATOM 2513 C PHE B 56 7.642 33.385 43.616 1.00 55.43 C +ATOM 2514 O PHE B 56 8.194 32.951 42.603 1.00 54.77 O +ATOM 2515 CB PHE B 56 7.703 32.270 45.871 1.00 53.14 C +ATOM 2516 CG PHE B 56 7.818 30.871 45.325 1.00 51.95 C +ATOM 2517 CD1 PHE B 56 9.061 30.292 45.105 1.00 52.23 C +ATOM 2518 CD2 PHE B 56 6.679 30.120 45.059 1.00 52.14 C +ATOM 2519 CE1 PHE B 56 9.165 28.987 44.632 1.00 52.87 C +ATOM 2520 CE2 PHE B 56 6.775 28.815 44.587 1.00 51.47 C +ATOM 2521 CZ PHE B 56 8.017 28.250 44.375 1.00 52.41 C +ATOM 2522 N ARG B 57 6.424 33.919 43.603 1.00 56.76 N +ATOM 2523 CA ARG B 57 5.667 34.045 42.371 1.00 56.89 C +ATOM 2524 C ARG B 57 6.425 34.975 41.424 1.00 56.18 C +ATOM 2525 O ARG B 57 6.370 34.809 40.208 1.00 56.65 O +ATOM 2526 CB ARG B 57 4.259 34.582 42.657 1.00 58.00 C +ATOM 2527 CG ARG B 57 3.382 34.720 41.424 1.00 61.08 C +ATOM 2528 CD ARG B 57 3.624 33.571 40.433 1.00 63.50 C +ATOM 2529 NE ARG B 57 3.294 32.254 40.981 1.00 66.11 N +ATOM 2530 CZ ARG B 57 2.091 31.683 40.898 1.00 67.95 C +ATOM 2531 NH1 ARG B 57 1.091 32.318 40.281 1.00 66.88 N +ATOM 2532 NH2 ARG B 57 1.887 30.472 41.429 1.00 67.69 N +ATOM 2533 N ARG B 58 7.148 35.946 41.963 1.00 55.41 N +ATOM 2534 CA ARG B 58 7.903 36.818 41.085 1.00 56.24 C +ATOM 2535 C ARG B 58 9.170 36.080 40.636 1.00 54.61 C +ATOM 2536 O ARG B 58 9.770 36.422 39.617 1.00 53.79 O +ATOM 2537 CB ARG B 58 8.263 38.129 41.789 1.00 59.19 C +ATOM 2538 CG ARG B 58 8.752 39.230 40.834 1.00 64.03 C +ATOM 2539 CD ARG B 58 9.193 40.478 41.616 1.00 70.57 C +ATOM 2540 NE ARG B 58 9.572 41.626 40.769 1.00 76.13 N +ATOM 2541 CZ ARG B 58 9.825 42.863 41.231 1.00 77.45 C +ATOM 2542 NH1 ARG B 58 9.742 43.123 42.541 1.00 77.87 N +ATOM 2543 NH2 ARG B 58 10.162 43.849 40.387 1.00 76.78 N +ATOM 2544 N GLU B 59 9.574 35.060 41.394 1.00 53.14 N +ATOM 2545 CA GLU B 59 10.765 34.289 41.038 1.00 50.78 C +ATOM 2546 C GLU B 59 10.490 33.484 39.790 1.00 49.60 C +ATOM 2547 O GLU B 59 11.314 33.425 38.878 1.00 49.03 O +ATOM 2548 CB GLU B 59 11.165 33.302 42.132 1.00 50.66 C +ATOM 2549 CG GLU B 59 12.490 32.608 41.807 1.00 51.23 C +ATOM 2550 CD GLU B 59 12.644 31.237 42.441 1.00 51.89 C +ATOM 2551 OE1 GLU B 59 12.419 31.104 43.663 1.00 51.46 O +ATOM 2552 OE2 GLU B 59 13.006 30.293 41.704 1.00 52.28 O +ATOM 2553 N ALA B 60 9.334 32.835 39.771 1.00 47.15 N +ATOM 2554 CA ALA B 60 8.957 32.044 38.631 1.00 44.99 C +ATOM 2555 C ALA B 60 8.745 33.018 37.495 1.00 44.64 C +ATOM 2556 O ALA B 60 9.011 32.703 36.345 1.00 44.57 O +ATOM 2557 CB ALA B 60 7.691 31.299 38.922 1.00 45.64 C +ATOM 2558 N GLN B 61 8.276 34.217 37.812 1.00 43.31 N +ATOM 2559 CA GLN B 61 8.060 35.201 36.763 1.00 42.25 C +ATOM 2560 C GLN B 61 9.351 35.689 36.113 1.00 41.06 C +ATOM 2561 O GLN B 61 9.430 35.754 34.893 1.00 40.21 O +ATOM 2562 CB GLN B 61 7.244 36.369 37.295 1.00 41.79 C +ATOM 2563 CG GLN B 61 5.773 36.215 36.989 1.00 43.26 C +ATOM 2564 CD GLN B 61 4.901 36.995 37.933 1.00 45.04 C +ATOM 2565 OE1 GLN B 61 5.195 38.151 38.250 1.00 45.92 O +ATOM 2566 NE2 GLN B 61 3.811 36.378 38.382 1.00 41.64 N +ATOM 2567 N ASN B 62 10.365 36.031 36.903 1.00 40.08 N +ATOM 2568 CA ASN B 62 11.616 36.474 36.307 1.00 39.43 C +ATOM 2569 C ASN B 62 12.210 35.348 35.486 1.00 39.93 C +ATOM 2570 O ASN B 62 12.528 35.530 34.321 1.00 41.20 O +ATOM 2571 CB ASN B 62 12.622 36.914 37.363 1.00 39.64 C +ATOM 2572 CG ASN B 62 12.272 38.238 37.969 1.00 41.29 C +ATOM 2573 OD1 ASN B 62 11.588 39.040 37.352 1.00 43.18 O +ATOM 2574 ND2 ASN B 62 12.746 38.486 39.179 1.00 41.28 N +ATOM 2575 N ALA B 63 12.345 34.174 36.084 1.00 39.94 N +ATOM 2576 CA ALA B 63 12.910 33.035 35.382 1.00 39.35 C +ATOM 2577 C ALA B 63 12.234 32.737 34.055 1.00 39.60 C +ATOM 2578 O ALA B 63 12.901 32.382 33.093 1.00 40.88 O +ATOM 2579 CB ALA B 63 12.860 31.823 36.259 1.00 39.13 C +ATOM 2580 N ALA B 64 10.916 32.877 33.990 1.00 39.54 N +ATOM 2581 CA ALA B 64 10.197 32.591 32.750 1.00 39.91 C +ATOM 2582 C ALA B 64 10.439 33.654 31.702 1.00 39.83 C +ATOM 2583 O ALA B 64 10.108 33.473 30.539 1.00 41.35 O +ATOM 2584 CB ALA B 64 8.700 32.459 33.015 1.00 40.04 C +ATOM 2585 N ALA B 65 11.017 34.768 32.120 1.00 40.57 N +ATOM 2586 CA ALA B 65 11.295 35.863 31.205 1.00 41.40 C +ATOM 2587 C ALA B 65 12.568 35.602 30.430 1.00 41.59 C +ATOM 2588 O ALA B 65 12.926 36.371 29.544 1.00 41.74 O +ATOM 2589 CB ALA B 65 11.427 37.164 31.975 1.00 41.19 C +ATOM 2590 N LEU B 66 13.250 34.514 30.769 1.00 42.01 N +ATOM 2591 CA LEU B 66 14.496 34.158 30.107 1.00 42.49 C +ATOM 2592 C LEU B 66 14.365 32.858 29.328 1.00 43.26 C +ATOM 2593 O LEU B 66 13.682 31.921 29.747 1.00 44.38 O +ATOM 2594 CB LEU B 66 15.629 34.062 31.139 1.00 41.51 C +ATOM 2595 CG LEU B 66 15.818 35.356 31.944 1.00 41.02 C +ATOM 2596 CD1 LEU B 66 16.835 35.187 33.047 1.00 40.88 C +ATOM 2597 CD2 LEU B 66 16.246 36.454 31.008 1.00 40.56 C +ATOM 2598 N ASN B 67 15.013 32.823 28.175 1.00 43.49 N +ATOM 2599 CA ASN B 67 14.981 31.658 27.314 1.00 43.40 C +ATOM 2600 C ASN B 67 16.396 31.433 26.820 1.00 43.11 C +ATOM 2601 O ASN B 67 16.779 31.937 25.771 1.00 41.77 O +ATOM 2602 CB ASN B 67 14.060 31.917 26.131 1.00 44.00 C +ATOM 2603 CG ASN B 67 14.112 30.813 25.119 1.00 45.75 C +ATOM 2604 OD1 ASN B 67 15.138 30.148 24.977 1.00 48.39 O +ATOM 2605 ND2 ASN B 67 13.019 30.613 24.394 1.00 45.73 N +ATOM 2606 N HIS B 68 17.165 30.659 27.573 1.00 42.59 N +ATOM 2607 CA HIS B 68 18.546 30.416 27.209 1.00 41.48 C +ATOM 2608 C HIS B 68 19.007 28.992 27.449 1.00 40.83 C +ATOM 2609 O HIS B 68 18.719 28.390 28.477 1.00 40.97 O +ATOM 2610 CB HIS B 68 19.438 31.358 27.999 1.00 42.86 C +ATOM 2611 CG HIS B 68 20.824 31.470 27.460 1.00 42.64 C +ATOM 2612 ND1 HIS B 68 21.181 32.412 26.521 1.00 40.78 N +ATOM 2613 CD2 HIS B 68 21.932 30.739 27.703 1.00 41.36 C +ATOM 2614 CE1 HIS B 68 22.453 32.255 26.209 1.00 41.63 C +ATOM 2615 NE2 HIS B 68 22.931 31.246 26.912 1.00 42.94 N +ATOM 2616 N PRO B 69 19.753 28.431 26.499 1.00 40.73 N +ATOM 2617 CA PRO B 69 20.208 27.060 26.711 1.00 41.09 C +ATOM 2618 C PRO B 69 21.174 26.893 27.891 1.00 42.27 C +ATOM 2619 O PRO B 69 21.555 25.774 28.223 1.00 43.36 O +ATOM 2620 CB PRO B 69 20.824 26.691 25.358 1.00 38.41 C +ATOM 2621 CG PRO B 69 21.224 27.993 24.783 1.00 36.23 C +ATOM 2622 CD PRO B 69 20.109 28.907 25.153 1.00 38.72 C +ATOM 2623 N ALA B 70 21.563 28.002 28.524 1.00 42.06 N +ATOM 2624 CA ALA B 70 22.478 27.961 29.666 1.00 39.18 C +ATOM 2625 C ALA B 70 21.765 28.402 30.927 1.00 37.81 C +ATOM 2626 O ALA B 70 22.369 28.493 31.985 1.00 37.98 O +ATOM 2627 CB ALA B 70 23.661 28.853 29.421 1.00 37.82 C +ATOM 2628 N ILE B 71 20.473 28.683 30.796 1.00 36.21 N +ATOM 2629 CA ILE B 71 19.643 29.115 31.915 1.00 34.19 C +ATOM 2630 C ILE B 71 18.447 28.173 32.046 1.00 33.43 C +ATOM 2631 O ILE B 71 17.720 27.950 31.086 1.00 32.81 O +ATOM 2632 CB ILE B 71 19.146 30.559 31.701 1.00 32.46 C +ATOM 2633 CG1 ILE B 71 20.323 31.522 31.735 1.00 30.99 C +ATOM 2634 CG2 ILE B 71 18.139 30.925 32.753 1.00 31.81 C +ATOM 2635 CD1 ILE B 71 19.936 32.935 31.504 1.00 30.10 C +ATOM 2636 N VAL B 72 18.258 27.608 33.236 1.00 32.66 N +ATOM 2637 CA VAL B 72 17.154 26.689 33.460 1.00 32.25 C +ATOM 2638 C VAL B 72 15.860 27.400 33.144 1.00 32.32 C +ATOM 2639 O VAL B 72 15.653 28.525 33.564 1.00 32.45 O +ATOM 2640 CB VAL B 72 17.120 26.192 34.902 1.00 30.86 C +ATOM 2641 CG1 VAL B 72 15.883 25.364 35.132 1.00 29.72 C +ATOM 2642 CG2 VAL B 72 18.354 25.381 35.183 1.00 27.56 C +ATOM 2643 N ALA B 73 14.990 26.741 32.395 1.00 33.50 N +ATOM 2644 CA ALA B 73 13.732 27.347 32.007 1.00 35.32 C +ATOM 2645 C ALA B 73 12.573 27.008 32.920 1.00 36.01 C +ATOM 2646 O ALA B 73 12.586 26.005 33.625 1.00 37.46 O +ATOM 2647 CB ALA B 73 13.382 26.949 30.590 1.00 35.25 C +ATOM 2648 N VAL B 74 11.570 27.876 32.891 1.00 35.01 N +ATOM 2649 CA VAL B 74 10.362 27.702 33.664 1.00 33.54 C +ATOM 2650 C VAL B 74 9.337 27.251 32.641 1.00 33.98 C +ATOM 2651 O VAL B 74 9.285 27.790 31.546 1.00 35.00 O +ATOM 2652 CB VAL B 74 9.917 29.031 34.275 1.00 32.21 C +ATOM 2653 CG1 VAL B 74 8.606 28.876 35.004 1.00 30.85 C +ATOM 2654 CG2 VAL B 74 10.972 29.522 35.204 1.00 31.68 C +ATOM 2655 N TYR B 75 8.544 26.247 32.977 1.00 33.59 N +ATOM 2656 CA TYR B 75 7.529 25.768 32.058 1.00 33.96 C +ATOM 2657 C TYR B 75 6.144 26.110 32.575 1.00 35.13 C +ATOM 2658 O TYR B 75 5.261 26.479 31.810 1.00 34.69 O +ATOM 2659 CB TYR B 75 7.594 24.256 31.908 1.00 32.58 C +ATOM 2660 CG TYR B 75 8.881 23.696 31.380 1.00 34.96 C +ATOM 2661 CD1 TYR B 75 9.576 24.329 30.362 1.00 36.03 C +ATOM 2662 CD2 TYR B 75 9.345 22.460 31.822 1.00 35.51 C +ATOM 2663 CE1 TYR B 75 10.692 23.737 29.791 1.00 37.54 C +ATOM 2664 CE2 TYR B 75 10.452 21.865 31.257 1.00 34.95 C +ATOM 2665 CZ TYR B 75 11.117 22.502 30.241 1.00 36.20 C +ATOM 2666 OH TYR B 75 12.179 21.879 29.633 1.00 39.92 O +ATOM 2667 N ASP B 76 5.959 25.982 33.884 1.00 36.44 N +ATOM 2668 CA ASP B 76 4.660 26.222 34.478 1.00 38.28 C +ATOM 2669 C ASP B 76 4.741 26.604 35.961 1.00 38.54 C +ATOM 2670 O ASP B 76 5.814 26.573 36.547 1.00 38.14 O +ATOM 2671 CB ASP B 76 3.829 24.952 34.280 1.00 39.69 C +ATOM 2672 CG ASP B 76 2.400 25.117 34.712 1.00 42.43 C +ATOM 2673 OD1 ASP B 76 1.892 26.251 34.630 1.00 41.69 O +ATOM 2674 OD2 ASP B 76 1.781 24.112 35.117 1.00 44.99 O +ATOM 2675 N THR B 77 3.606 26.974 36.550 1.00 38.65 N +ATOM 2676 CA THR B 77 3.531 27.343 37.955 1.00 41.93 C +ATOM 2677 C THR B 77 2.139 27.129 38.497 1.00 44.92 C +ATOM 2678 O THR B 77 1.160 27.338 37.804 1.00 45.47 O +ATOM 2679 CB THR B 77 3.837 28.790 38.180 1.00 41.93 C +ATOM 2680 OG1 THR B 77 5.098 29.093 37.600 1.00 47.35 O +ATOM 2681 CG2 THR B 77 3.914 29.086 39.654 1.00 43.58 C +ATOM 2682 N GLY B 78 2.057 26.727 39.755 1.00 48.57 N +ATOM 2683 CA GLY B 78 0.768 26.496 40.374 1.00 52.07 C +ATOM 2684 C GLY B 78 0.763 26.713 41.877 1.00 55.03 C +ATOM 2685 O GLY B 78 1.650 27.356 42.451 1.00 55.55 O +ATOM 2686 N GLU B 79 -0.267 26.185 42.517 1.00 56.31 N +ATOM 2687 CA GLU B 79 -0.399 26.296 43.953 1.00 59.00 C +ATOM 2688 C GLU B 79 -1.236 25.084 44.342 1.00 59.58 C +ATOM 2689 O GLU B 79 -2.457 25.148 44.335 1.00 59.50 O +ATOM 2690 CB GLU B 79 -1.110 27.606 44.336 1.00 61.01 C +ATOM 2691 CG GLU B 79 -0.710 28.849 43.494 1.00 65.23 C +ATOM 2692 CD GLU B 79 0.017 29.978 44.276 1.00 66.97 C +ATOM 2693 OE1 GLU B 79 -0.444 30.364 45.380 1.00 68.16 O +ATOM 2694 OE2 GLU B 79 1.044 30.501 43.770 1.00 67.42 O +ATOM 2695 N ALA B 80 -0.560 23.977 44.651 1.00 61.26 N +ATOM 2696 CA ALA B 80 -1.209 22.721 45.037 1.00 62.93 C +ATOM 2697 C ALA B 80 -2.024 22.868 46.307 1.00 64.54 C +ATOM 2698 O ALA B 80 -1.772 23.759 47.112 1.00 64.49 O +ATOM 2699 CB ALA B 80 -0.169 21.628 45.226 1.00 61.60 C +ATOM 2700 N GLU B 81 -3.003 21.984 46.482 1.00 67.05 N +ATOM 2701 CA GLU B 81 -3.867 22.019 47.661 1.00 69.23 C +ATOM 2702 C GLU B 81 -3.592 20.905 48.651 1.00 69.68 C +ATOM 2703 O GLU B 81 -3.397 19.739 48.285 1.00 69.57 O +ATOM 2704 CB GLU B 81 -5.340 21.951 47.261 1.00 71.31 C +ATOM 2705 CG GLU B 81 -5.861 23.219 46.628 1.00 74.67 C +ATOM 2706 CD GLU B 81 -5.026 23.648 45.438 1.00 76.09 C +ATOM 2707 OE1 GLU B 81 -4.683 22.764 44.611 1.00 76.71 O +ATOM 2708 OE2 GLU B 81 -4.722 24.864 45.333 1.00 77.45 O +ATOM 2709 N THR B 82 -3.589 21.291 49.917 1.00 70.33 N +ATOM 2710 CA THR B 82 -3.361 20.374 51.018 1.00 71.10 C +ATOM 2711 C THR B 82 -4.210 20.898 52.154 1.00 71.96 C +ATOM 2712 O THR B 82 -4.805 21.978 52.063 1.00 72.84 O +ATOM 2713 CB THR B 82 -1.912 20.418 51.499 1.00 70.77 C +ATOM 2714 OG1 THR B 82 -1.560 21.781 51.794 1.00 70.61 O +ATOM 2715 CG2 THR B 82 -0.979 19.854 50.440 1.00 70.93 C +ATOM 2716 N PRO B 83 -4.297 20.137 53.240 1.00 71.73 N +ATOM 2717 CA PRO B 83 -5.106 20.651 54.341 1.00 71.00 C +ATOM 2718 C PRO B 83 -4.475 21.960 54.853 1.00 70.67 C +ATOM 2719 O PRO B 83 -5.174 22.849 55.349 1.00 71.15 O +ATOM 2720 CB PRO B 83 -5.037 19.523 55.356 1.00 71.58 C +ATOM 2721 CG PRO B 83 -4.982 18.308 54.477 1.00 71.82 C +ATOM 2722 CD PRO B 83 -3.982 18.712 53.427 1.00 71.93 C +ATOM 2723 N ALA B 84 -3.152 22.077 54.719 1.00 69.27 N +ATOM 2724 CA ALA B 84 -2.448 23.275 55.166 1.00 67.32 C +ATOM 2725 C ALA B 84 -2.922 24.465 54.339 1.00 66.55 C +ATOM 2726 O ALA B 84 -3.086 25.578 54.849 1.00 65.71 O +ATOM 2727 CB ALA B 84 -0.945 23.088 55.011 1.00 67.24 C +ATOM 2728 N GLY B 85 -3.147 24.216 53.053 1.00 65.53 N +ATOM 2729 CA GLY B 85 -3.605 25.273 52.169 1.00 64.07 C +ATOM 2730 C GLY B 85 -2.978 25.198 50.789 1.00 61.51 C +ATOM 2731 O GLY B 85 -2.733 24.100 50.273 1.00 61.86 O +ATOM 2732 N PRO B 86 -2.724 26.354 50.158 1.00 59.01 N +ATOM 2733 CA PRO B 86 -2.117 26.408 48.831 1.00 57.60 C +ATOM 2734 C PRO B 86 -0.617 26.157 48.978 1.00 56.22 C +ATOM 2735 O PRO B 86 0.013 26.636 49.921 1.00 56.41 O +ATOM 2736 CB PRO B 86 -2.404 27.836 48.369 1.00 57.84 C +ATOM 2737 CG PRO B 86 -3.536 28.280 49.243 1.00 59.63 C +ATOM 2738 CD PRO B 86 -3.170 27.689 50.567 1.00 58.89 C +ATOM 2739 N LEU B 87 -0.054 25.395 48.049 1.00 53.27 N +ATOM 2740 CA LEU B 87 1.359 25.093 48.083 1.00 50.08 C +ATOM 2741 C LEU B 87 1.933 25.475 46.731 1.00 48.72 C +ATOM 2742 O LEU B 87 1.855 24.712 45.766 1.00 48.39 O +ATOM 2743 CB LEU B 87 1.569 23.604 48.360 1.00 49.86 C +ATOM 2744 CG LEU B 87 2.982 23.120 48.708 1.00 48.75 C +ATOM 2745 CD1 LEU B 87 3.491 23.811 49.980 1.00 46.87 C +ATOM 2746 CD2 LEU B 87 2.953 21.596 48.868 1.00 47.57 C +ATOM 2747 N PRO B 88 2.500 26.682 46.640 1.00 47.31 N +ATOM 2748 CA PRO B 88 3.099 27.210 45.417 1.00 46.03 C +ATOM 2749 C PRO B 88 4.268 26.380 44.913 1.00 44.45 C +ATOM 2750 O PRO B 88 5.154 26.011 45.687 1.00 43.21 O +ATOM 2751 CB PRO B 88 3.534 28.609 45.833 1.00 46.42 C +ATOM 2752 CG PRO B 88 2.523 28.970 46.840 1.00 47.37 C +ATOM 2753 CD PRO B 88 2.430 27.729 47.666 1.00 46.88 C +ATOM 2754 N TYR B 89 4.259 26.095 43.612 1.00 42.25 N +ATOM 2755 CA TYR B 89 5.336 25.337 42.988 1.00 40.32 C +ATOM 2756 C TYR B 89 5.711 25.886 41.611 1.00 37.27 C +ATOM 2757 O TYR B 89 4.969 26.644 41.004 1.00 34.77 O +ATOM 2758 CB TYR B 89 4.947 23.868 42.866 1.00 40.58 C +ATOM 2759 CG TYR B 89 3.779 23.632 41.951 1.00 41.85 C +ATOM 2760 CD1 TYR B 89 3.958 23.462 40.585 1.00 40.35 C +ATOM 2761 CD2 TYR B 89 2.481 23.619 42.451 1.00 43.64 C +ATOM 2762 CE1 TYR B 89 2.870 23.289 39.744 1.00 42.61 C +ATOM 2763 CE2 TYR B 89 1.389 23.445 41.616 1.00 42.89 C +ATOM 2764 CZ TYR B 89 1.587 23.284 40.269 1.00 42.04 C +ATOM 2765 OH TYR B 89 0.495 23.142 39.452 1.00 43.35 O +ATOM 2766 N ILE B 90 6.888 25.496 41.141 1.00 35.21 N +ATOM 2767 CA ILE B 90 7.390 25.901 39.836 1.00 32.70 C +ATOM 2768 C ILE B 90 7.916 24.668 39.082 1.00 33.60 C +ATOM 2769 O ILE B 90 8.736 23.907 39.600 1.00 34.72 O +ATOM 2770 CB ILE B 90 8.518 26.927 39.988 1.00 29.63 C +ATOM 2771 CG1 ILE B 90 7.975 28.178 40.666 1.00 28.55 C +ATOM 2772 CG2 ILE B 90 9.117 27.253 38.642 1.00 28.17 C +ATOM 2773 CD1 ILE B 90 9.030 29.188 41.025 1.00 25.22 C +ATOM 2774 N VAL B 91 7.414 24.451 37.872 1.00 32.85 N +ATOM 2775 CA VAL B 91 7.865 23.332 37.069 1.00 32.59 C +ATOM 2776 C VAL B 91 8.972 23.901 36.209 1.00 33.70 C +ATOM 2777 O VAL B 91 8.769 24.876 35.499 1.00 33.84 O +ATOM 2778 CB VAL B 91 6.751 22.799 36.171 1.00 31.75 C +ATOM 2779 CG1 VAL B 91 7.217 21.551 35.452 1.00 28.80 C +ATOM 2780 CG2 VAL B 91 5.530 22.519 36.995 1.00 30.31 C +ATOM 2781 N MET B 92 10.149 23.303 36.278 1.00 35.67 N +ATOM 2782 CA MET B 92 11.272 23.804 35.510 1.00 38.33 C +ATOM 2783 C MET B 92 12.006 22.710 34.775 1.00 38.70 C +ATOM 2784 O MET B 92 11.858 21.542 35.081 1.00 39.05 O +ATOM 2785 CB MET B 92 12.256 24.556 36.428 1.00 39.08 C +ATOM 2786 CG MET B 92 12.087 24.291 37.928 1.00 39.17 C +ATOM 2787 SD MET B 92 13.456 24.864 38.918 1.00 36.03 S +ATOM 2788 CE MET B 92 13.482 26.593 38.554 1.00 36.47 C +ATOM 2789 N GLU B 93 12.794 23.112 33.792 1.00 40.37 N +ATOM 2790 CA GLU B 93 13.594 22.193 33.003 1.00 43.01 C +ATOM 2791 C GLU B 93 14.356 21.294 33.952 1.00 44.55 C +ATOM 2792 O GLU B 93 15.025 21.793 34.842 1.00 46.17 O +ATOM 2793 CB GLU B 93 14.595 22.982 32.172 1.00 43.07 C +ATOM 2794 CG GLU B 93 15.438 22.155 31.241 1.00 45.21 C +ATOM 2795 CD GLU B 93 16.640 22.927 30.722 1.00 47.00 C +ATOM 2796 OE1 GLU B 93 16.478 24.105 30.332 1.00 47.16 O +ATOM 2797 OE2 GLU B 93 17.750 22.350 30.703 1.00 47.55 O +ATOM 2798 N TYR B 94 14.252 19.976 33.787 1.00 46.46 N +ATOM 2799 CA TYR B 94 14.992 19.064 34.661 1.00 47.04 C +ATOM 2800 C TYR B 94 16.418 18.961 34.156 1.00 47.58 C +ATOM 2801 O TYR B 94 16.663 18.732 32.972 1.00 45.30 O +ATOM 2802 CB TYR B 94 14.369 17.668 34.693 1.00 47.62 C +ATOM 2803 CG TYR B 94 15.255 16.604 35.348 1.00 48.79 C +ATOM 2804 CD1 TYR B 94 15.428 16.546 36.732 1.00 49.44 C +ATOM 2805 CD2 TYR B 94 15.914 15.650 34.575 1.00 48.68 C +ATOM 2806 CE1 TYR B 94 16.231 15.560 37.320 1.00 48.45 C +ATOM 2807 CE2 TYR B 94 16.713 14.671 35.155 1.00 46.47 C +ATOM 2808 CZ TYR B 94 16.865 14.629 36.517 1.00 47.99 C +ATOM 2809 OH TYR B 94 17.650 13.640 37.064 1.00 49.29 O +ATOM 2810 N VAL B 95 17.358 19.143 35.074 1.00 49.79 N +ATOM 2811 CA VAL B 95 18.772 19.090 34.743 1.00 52.11 C +ATOM 2812 C VAL B 95 19.399 17.856 35.370 1.00 53.48 C +ATOM 2813 O VAL B 95 19.540 17.781 36.597 1.00 54.85 O +ATOM 2814 CB VAL B 95 19.518 20.347 35.263 1.00 50.97 C +ATOM 2815 CG1 VAL B 95 20.994 20.247 34.944 1.00 51.38 C +ATOM 2816 CG2 VAL B 95 18.942 21.587 34.637 1.00 49.62 C +ATOM 2817 N ASP B 96 19.755 16.881 34.537 1.00 54.15 N +ATOM 2818 CA ASP B 96 20.379 15.679 35.054 1.00 54.71 C +ATOM 2819 C ASP B 96 21.839 15.996 35.242 1.00 54.53 C +ATOM 2820 O ASP B 96 22.595 16.110 34.272 1.00 53.99 O +ATOM 2821 CB ASP B 96 20.241 14.504 34.093 1.00 56.55 C +ATOM 2822 CG ASP B 96 20.991 13.270 34.578 1.00 58.93 C +ATOM 2823 OD1 ASP B 96 20.710 12.811 35.709 1.00 60.25 O +ATOM 2824 OD2 ASP B 96 21.864 12.760 33.833 1.00 61.07 O +ATOM 2825 N GLY B 97 22.233 16.162 36.495 1.00 53.56 N +ATOM 2826 CA GLY B 97 23.617 16.467 36.757 1.00 53.10 C +ATOM 2827 C GLY B 97 23.816 16.975 38.155 1.00 52.19 C +ATOM 2828 O GLY B 97 22.897 16.931 38.979 1.00 51.47 O +ATOM 2829 N VAL B 98 25.030 17.451 38.412 1.00 51.53 N +ATOM 2830 CA VAL B 98 25.386 17.990 39.709 1.00 51.75 C +ATOM 2831 C VAL B 98 25.785 19.450 39.609 1.00 50.25 C +ATOM 2832 O VAL B 98 25.954 19.982 38.518 1.00 49.83 O +ATOM 2833 CB VAL B 98 26.522 17.179 40.360 1.00 52.07 C +ATOM 2834 CG1 VAL B 98 25.948 15.915 40.977 1.00 52.81 C +ATOM 2835 CG2 VAL B 98 27.569 16.826 39.323 1.00 50.74 C +ATOM 2836 N THR B 99 25.938 20.079 40.766 1.00 50.28 N +ATOM 2837 CA THR B 99 26.281 21.491 40.859 1.00 50.20 C +ATOM 2838 C THR B 99 27.764 21.750 41.081 1.00 49.40 C +ATOM 2839 O THR B 99 28.468 20.924 41.652 1.00 50.57 O +ATOM 2840 CB THR B 99 25.526 22.145 42.030 1.00 50.09 C +ATOM 2841 OG1 THR B 99 26.132 21.741 43.266 1.00 48.93 O +ATOM 2842 CG2 THR B 99 24.069 21.699 42.038 1.00 50.27 C +ATOM 2843 N LEU B 100 28.226 22.912 40.639 1.00 47.94 N +ATOM 2844 CA LEU B 100 29.612 23.301 40.829 1.00 46.45 C +ATOM 2845 C LEU B 100 30.015 23.090 42.282 1.00 46.82 C +ATOM 2846 O LEU B 100 31.137 22.699 42.563 1.00 45.92 O +ATOM 2847 CB LEU B 100 29.801 24.760 40.432 1.00 44.55 C +ATOM 2848 CG LEU B 100 29.818 24.906 38.918 1.00 43.72 C +ATOM 2849 CD1 LEU B 100 29.870 26.336 38.469 1.00 44.55 C +ATOM 2850 CD2 LEU B 100 31.024 24.180 38.441 1.00 46.35 C +ATOM 2851 N ARG B 101 29.098 23.340 43.210 1.00 48.39 N +ATOM 2852 CA ARG B 101 29.413 23.131 44.615 1.00 50.24 C +ATOM 2853 C ARG B 101 29.734 21.658 44.861 1.00 51.50 C +ATOM 2854 O ARG B 101 30.743 21.344 45.497 1.00 51.81 O +ATOM 2855 CB ARG B 101 28.257 23.535 45.529 1.00 49.52 C +ATOM 2856 CG ARG B 101 28.578 23.257 46.992 1.00 50.19 C +ATOM 2857 CD ARG B 101 27.505 22.437 47.673 1.00 54.37 C +ATOM 2858 NE ARG B 101 26.449 23.288 48.207 1.00 58.60 N +ATOM 2859 CZ ARG B 101 26.556 23.999 49.330 1.00 61.09 C +ATOM 2860 NH1 ARG B 101 27.682 23.946 50.051 1.00 60.21 N +ATOM 2861 NH2 ARG B 101 25.546 24.790 49.713 1.00 61.02 N +ATOM 2862 N ASP B 102 28.878 20.760 44.369 1.00 52.30 N +ATOM 2863 CA ASP B 102 29.101 19.326 44.541 1.00 53.40 C +ATOM 2864 C ASP B 102 30.295 18.850 43.730 1.00 53.22 C +ATOM 2865 O ASP B 102 31.125 18.077 44.210 1.00 53.42 O +ATOM 2866 CB ASP B 102 27.886 18.523 44.096 1.00 55.77 C +ATOM 2867 CG ASP B 102 26.650 18.853 44.890 1.00 58.61 C +ATOM 2868 OD1 ASP B 102 26.788 19.265 46.068 1.00 58.14 O +ATOM 2869 OD2 ASP B 102 25.538 18.682 44.331 1.00 60.52 O +ATOM 2870 N ILE B 103 30.378 19.314 42.490 1.00 52.68 N +ATOM 2871 CA ILE B 103 31.462 18.907 41.625 1.00 52.27 C +ATOM 2872 C ILE B 103 32.820 19.266 42.179 1.00 52.98 C +ATOM 2873 O ILE B 103 33.790 18.577 41.905 1.00 54.52 O +ATOM 2874 CB ILE B 103 31.310 19.501 40.220 1.00 50.96 C +ATOM 2875 CG1 ILE B 103 29.992 19.003 39.617 1.00 48.75 C +ATOM 2876 CG2 ILE B 103 32.527 19.121 39.352 1.00 49.83 C +ATOM 2877 CD1 ILE B 103 29.892 19.114 38.129 1.00 48.97 C +ATOM 2878 N VAL B 104 32.902 20.338 42.954 1.00 53.12 N +ATOM 2879 CA VAL B 104 34.186 20.723 43.520 1.00 52.63 C +ATOM 2880 C VAL B 104 34.355 19.997 44.840 1.00 53.16 C +ATOM 2881 O VAL B 104 35.434 19.501 45.140 1.00 52.93 O +ATOM 2882 CB VAL B 104 34.296 22.264 43.728 1.00 51.52 C +ATOM 2883 CG1 VAL B 104 35.565 22.614 44.470 1.00 49.11 C +ATOM 2884 CG2 VAL B 104 34.318 22.960 42.389 1.00 52.05 C +ATOM 2885 N HIS B 105 33.285 19.926 45.622 1.00 54.56 N +ATOM 2886 CA HIS B 105 33.335 19.239 46.909 1.00 56.89 C +ATOM 2887 C HIS B 105 34.131 17.936 46.758 1.00 58.22 C +ATOM 2888 O HIS B 105 35.018 17.626 47.553 1.00 58.23 O +ATOM 2889 CB HIS B 105 31.924 18.924 47.378 1.00 58.10 C +ATOM 2890 CG HIS B 105 31.881 18.125 48.638 1.00 59.99 C +ATOM 2891 ND1 HIS B 105 31.286 18.589 49.792 1.00 61.80 N +ATOM 2892 CD2 HIS B 105 32.383 16.904 48.936 1.00 60.91 C +ATOM 2893 CE1 HIS B 105 31.428 17.688 50.749 1.00 61.86 C +ATOM 2894 NE2 HIS B 105 32.091 16.656 50.255 1.00 61.61 N +ATOM 2895 N THR B 106 33.777 17.168 45.735 1.00 58.63 N +ATOM 2896 CA THR B 106 34.452 15.918 45.409 1.00 57.65 C +ATOM 2897 C THR B 106 35.231 16.333 44.153 1.00 58.14 C +ATOM 2898 O THR B 106 35.267 17.525 43.846 1.00 59.73 O +ATOM 2899 CB THR B 106 33.413 14.840 45.082 1.00 56.67 C +ATOM 2900 OG1 THR B 106 32.703 15.210 43.902 1.00 56.20 O +ATOM 2901 CG2 THR B 106 32.404 14.732 46.200 1.00 55.36 C +ATOM 2902 N GLU B 107 35.857 15.408 43.430 1.00 56.64 N +ATOM 2903 CA GLU B 107 36.595 15.789 42.204 1.00 56.82 C +ATOM 2904 C GLU B 107 37.563 16.973 42.334 1.00 55.75 C +ATOM 2905 O GLU B 107 38.002 17.513 41.316 1.00 55.36 O +ATOM 2906 CB GLU B 107 35.632 16.166 41.075 1.00 56.27 C +ATOM 2907 CG GLU B 107 34.290 15.514 41.143 1.00 58.12 C +ATOM 2908 CD GLU B 107 34.328 14.082 40.698 1.00 58.94 C +ATOM 2909 OE1 GLU B 107 34.712 13.839 39.532 1.00 59.98 O +ATOM 2910 OE2 GLU B 107 33.969 13.205 41.510 1.00 59.10 O +ATOM 2911 N GLY B 108 37.881 17.386 43.558 1.00 55.24 N +ATOM 2912 CA GLY B 108 38.769 18.524 43.741 1.00 53.62 C +ATOM 2913 C GLY B 108 38.439 19.632 42.757 1.00 52.38 C +ATOM 2914 O GLY B 108 37.275 19.796 42.399 1.00 51.25 O +ATOM 2915 N PRO B 109 39.433 20.414 42.300 1.00 52.04 N +ATOM 2916 CA PRO B 109 39.138 21.485 41.347 1.00 52.11 C +ATOM 2917 C PRO B 109 38.745 20.992 39.954 1.00 52.78 C +ATOM 2918 O PRO B 109 38.365 19.834 39.754 1.00 53.49 O +ATOM 2919 CB PRO B 109 40.437 22.292 41.321 1.00 51.47 C +ATOM 2920 CG PRO B 109 40.967 22.113 42.695 1.00 51.04 C +ATOM 2921 CD PRO B 109 40.759 20.629 42.905 1.00 52.00 C +ATOM 2922 N MET B 110 38.815 21.908 39.000 1.00 52.65 N +ATOM 2923 CA MET B 110 38.506 21.610 37.619 1.00 52.51 C +ATOM 2924 C MET B 110 39.779 21.965 36.882 1.00 52.91 C +ATOM 2925 O MET B 110 40.652 22.629 37.439 1.00 52.29 O +ATOM 2926 CB MET B 110 37.352 22.482 37.118 1.00 51.57 C +ATOM 2927 CG MET B 110 36.029 22.258 37.840 1.00 50.04 C +ATOM 2928 SD MET B 110 34.563 22.803 36.898 1.00 49.21 S +ATOM 2929 CE MET B 110 35.280 23.449 35.449 1.00 47.78 C +ATOM 2930 N THR B 111 39.905 21.509 35.644 1.00 53.85 N +ATOM 2931 CA THR B 111 41.099 21.829 34.875 1.00 54.25 C +ATOM 2932 C THR B 111 40.875 23.247 34.352 1.00 55.11 C +ATOM 2933 O THR B 111 39.737 23.675 34.189 1.00 56.31 O +ATOM 2934 CB THR B 111 41.283 20.852 33.690 1.00 52.93 C +ATOM 2935 OG1 THR B 111 40.251 21.067 32.722 1.00 52.22 O +ATOM 2936 CG2 THR B 111 41.204 19.413 34.175 1.00 52.18 C +ATOM 2937 N PRO B 112 41.951 24.007 34.114 1.00 55.39 N +ATOM 2938 CA PRO B 112 41.752 25.368 33.610 1.00 55.12 C +ATOM 2939 C PRO B 112 40.956 25.392 32.310 1.00 55.07 C +ATOM 2940 O PRO B 112 40.415 26.418 31.924 1.00 55.17 O +ATOM 2941 CB PRO B 112 43.178 25.872 33.423 1.00 54.74 C +ATOM 2942 CG PRO B 112 43.901 25.200 34.545 1.00 55.80 C +ATOM 2943 CD PRO B 112 43.359 23.784 34.483 1.00 55.73 C +ATOM 2944 N LYS B 113 40.884 24.256 31.632 1.00 55.30 N +ATOM 2945 CA LYS B 113 40.152 24.187 30.377 1.00 55.57 C +ATOM 2946 C LYS B 113 38.648 24.096 30.652 1.00 55.54 C +ATOM 2947 O LYS B 113 37.866 24.868 30.106 1.00 54.21 O +ATOM 2948 CB LYS B 113 40.622 22.976 29.564 1.00 55.69 C +ATOM 2949 CG LYS B 113 40.013 22.903 28.179 1.00 57.98 C +ATOM 2950 CD LYS B 113 39.956 21.475 27.648 1.00 60.00 C +ATOM 2951 CE LYS B 113 39.136 20.539 28.565 1.00 61.94 C +ATOM 2952 NZ LYS B 113 39.873 20.076 29.801 1.00 62.55 N +ATOM 2953 N ARG B 114 38.256 23.152 31.505 1.00 56.20 N +ATOM 2954 CA ARG B 114 36.850 22.964 31.862 1.00 58.01 C +ATOM 2955 C ARG B 114 36.345 24.184 32.654 1.00 58.96 C +ATOM 2956 O ARG B 114 35.190 24.615 32.513 1.00 59.14 O +ATOM 2957 CB ARG B 114 36.681 21.700 32.707 1.00 57.67 C +ATOM 2958 CG ARG B 114 35.262 21.167 32.715 1.00 60.03 C +ATOM 2959 CD ARG B 114 35.063 20.155 33.836 1.00 63.58 C +ATOM 2960 NE ARG B 114 33.815 19.398 33.689 1.00 66.29 N +ATOM 2961 CZ ARG B 114 33.368 18.500 34.571 1.00 67.71 C +ATOM 2962 NH1 ARG B 114 34.062 18.241 35.677 1.00 67.54 N +ATOM 2963 NH2 ARG B 114 32.228 17.852 34.343 1.00 67.79 N +ATOM 2964 N ALA B 115 37.222 24.724 33.496 1.00 58.84 N +ATOM 2965 CA ALA B 115 36.912 25.889 34.303 1.00 57.64 C +ATOM 2966 C ALA B 115 36.602 27.036 33.368 1.00 57.25 C +ATOM 2967 O ALA B 115 35.486 27.553 33.354 1.00 58.08 O +ATOM 2968 CB ALA B 115 38.091 26.239 35.162 1.00 58.22 C +ATOM 2969 N ILE B 116 37.602 27.429 32.585 1.00 55.41 N +ATOM 2970 CA ILE B 116 37.437 28.516 31.638 1.00 54.48 C +ATOM 2971 C ILE B 116 36.158 28.300 30.849 1.00 54.52 C +ATOM 2972 O ILE B 116 35.445 29.248 30.541 1.00 54.55 O +ATOM 2973 CB ILE B 116 38.596 28.577 30.623 1.00 54.27 C +ATOM 2974 CG1 ILE B 116 39.916 28.902 31.322 1.00 53.90 C +ATOM 2975 CG2 ILE B 116 38.291 29.621 29.559 1.00 54.38 C +ATOM 2976 CD1 ILE B 116 39.994 30.282 31.900 1.00 54.55 C +ATOM 2977 N GLU B 117 35.869 27.042 30.527 1.00 54.55 N +ATOM 2978 CA GLU B 117 34.684 26.713 29.746 1.00 54.05 C +ATOM 2979 C GLU B 117 33.374 26.909 30.479 1.00 53.09 C +ATOM 2980 O GLU B 117 32.538 27.692 30.030 1.00 53.45 O +ATOM 2981 CB GLU B 117 34.782 25.285 29.203 1.00 55.87 C +ATOM 2982 CG GLU B 117 35.910 25.135 28.166 1.00 58.98 C +ATOM 2983 CD GLU B 117 35.896 23.810 27.408 1.00 60.21 C +ATOM 2984 OE1 GLU B 117 36.681 23.680 26.437 1.00 60.32 O +ATOM 2985 OE2 GLU B 117 35.111 22.905 27.777 1.00 61.61 O +ATOM 2986 N VAL B 118 33.183 26.225 31.603 1.00 52.06 N +ATOM 2987 CA VAL B 118 31.936 26.384 32.349 1.00 50.77 C +ATOM 2988 C VAL B 118 31.622 27.843 32.677 1.00 49.17 C +ATOM 2989 O VAL B 118 30.559 28.326 32.323 1.00 50.44 O +ATOM 2990 CB VAL B 118 31.937 25.578 33.663 1.00 50.80 C +ATOM 2991 CG1 VAL B 118 32.207 24.130 33.370 1.00 51.41 C +ATOM 2992 CG2 VAL B 118 32.974 26.125 34.617 1.00 52.27 C +ATOM 2993 N ILE B 119 32.539 28.551 33.329 1.00 47.23 N +ATOM 2994 CA ILE B 119 32.302 29.947 33.688 1.00 45.10 C +ATOM 2995 C ILE B 119 32.110 30.816 32.471 1.00 44.92 C +ATOM 2996 O ILE B 119 31.444 31.846 32.532 1.00 43.99 O +ATOM 2997 CB ILE B 119 33.454 30.515 34.518 1.00 44.04 C +ATOM 2998 CG1 ILE B 119 33.559 29.740 35.826 1.00 43.79 C +ATOM 2999 CG2 ILE B 119 33.237 31.978 34.792 1.00 43.12 C +ATOM 3000 CD1 ILE B 119 32.229 29.510 36.519 1.00 42.73 C +ATOM 3001 N ALA B 120 32.700 30.391 31.361 1.00 46.04 N +ATOM 3002 CA ALA B 120 32.592 31.115 30.098 1.00 46.42 C +ATOM 3003 C ALA B 120 31.137 31.132 29.688 1.00 46.35 C +ATOM 3004 O ALA B 120 30.616 32.149 29.230 1.00 46.15 O +ATOM 3005 CB ALA B 120 33.407 30.419 29.031 1.00 46.56 C +ATOM 3006 N ASP B 121 30.500 29.978 29.854 1.00 46.27 N +ATOM 3007 CA ASP B 121 29.103 29.801 29.517 1.00 46.82 C +ATOM 3008 C ASP B 121 28.203 30.488 30.521 1.00 46.17 C +ATOM 3009 O ASP B 121 27.189 31.085 30.152 1.00 46.91 O +ATOM 3010 CB ASP B 121 28.771 28.318 29.453 1.00 48.35 C +ATOM 3011 CG ASP B 121 29.539 27.602 28.358 1.00 50.76 C +ATOM 3012 OD1 ASP B 121 29.476 28.044 27.196 1.00 49.93 O +ATOM 3013 OD2 ASP B 121 30.207 26.595 28.657 1.00 53.04 O +ATOM 3014 N ALA B 122 28.570 30.408 31.792 1.00 44.99 N +ATOM 3015 CA ALA B 122 27.782 31.035 32.831 1.00 43.11 C +ATOM 3016 C ALA B 122 27.703 32.533 32.573 1.00 42.72 C +ATOM 3017 O ALA B 122 26.673 33.157 32.822 1.00 42.80 O +ATOM 3018 CB ALA B 122 28.393 30.763 34.172 1.00 42.55 C +ATOM 3019 N CYS B 123 28.783 33.116 32.067 1.00 41.97 N +ATOM 3020 CA CYS B 123 28.774 34.542 31.781 1.00 43.09 C +ATOM 3021 C CYS B 123 27.702 34.893 30.774 1.00 42.42 C +ATOM 3022 O CYS B 123 27.057 35.936 30.891 1.00 42.29 O +ATOM 3023 CB CYS B 123 30.121 34.993 31.248 1.00 43.75 C +ATOM 3024 SG CYS B 123 31.393 34.977 32.488 1.00 48.18 S +ATOM 3025 N GLN B 124 27.523 34.029 29.777 1.00 42.21 N +ATOM 3026 CA GLN B 124 26.504 34.243 28.753 1.00 42.99 C +ATOM 3027 C GLN B 124 25.133 34.256 29.408 1.00 43.60 C +ATOM 3028 O GLN B 124 24.323 35.156 29.182 1.00 43.46 O +ATOM 3029 CB GLN B 124 26.520 33.128 27.714 1.00 42.61 C +ATOM 3030 CG GLN B 124 27.650 33.176 26.713 1.00 43.79 C +ATOM 3031 CD GLN B 124 27.275 32.506 25.399 1.00 44.98 C +ATOM 3032 OE1 GLN B 124 26.526 31.520 25.372 1.00 45.87 O +ATOM 3033 NE2 GLN B 124 27.800 33.035 24.302 1.00 43.61 N +ATOM 3034 N ALA B 125 24.876 33.226 30.206 1.00 43.59 N +ATOM 3035 CA ALA B 125 23.621 33.104 30.917 1.00 41.99 C +ATOM 3036 C ALA B 125 23.409 34.394 31.678 1.00 41.07 C +ATOM 3037 O ALA B 125 22.353 35.005 31.586 1.00 39.33 O +ATOM 3038 CB ALA B 125 23.682 31.929 31.877 1.00 43.17 C +ATOM 3039 N LEU B 126 24.430 34.806 32.424 1.00 41.34 N +ATOM 3040 CA LEU B 126 24.351 36.035 33.203 1.00 42.16 C +ATOM 3041 C LEU B 126 24.150 37.229 32.303 1.00 42.49 C +ATOM 3042 O LEU B 126 23.184 37.971 32.458 1.00 42.02 O +ATOM 3043 CB LEU B 126 25.610 36.251 34.024 1.00 41.70 C +ATOM 3044 CG LEU B 126 25.366 36.045 35.505 1.00 41.65 C +ATOM 3045 CD1 LEU B 126 25.124 34.572 35.774 1.00 40.87 C +ATOM 3046 CD2 LEU B 126 26.565 36.555 36.282 1.00 43.73 C +ATOM 3047 N ASN B 127 25.065 37.418 31.362 1.00 42.16 N +ATOM 3048 CA ASN B 127 24.948 38.536 30.450 1.00 42.25 C +ATOM 3049 C ASN B 127 23.590 38.544 29.765 1.00 42.26 C +ATOM 3050 O ASN B 127 23.005 39.598 29.530 1.00 42.07 O +ATOM 3051 CB ASN B 127 26.031 38.490 29.388 1.00 42.40 C +ATOM 3052 CG ASN B 127 25.932 39.653 28.440 1.00 43.70 C +ATOM 3053 OD1 ASN B 127 26.089 40.796 28.848 1.00 45.43 O +ATOM 3054 ND2 ASN B 127 25.645 39.374 27.171 1.00 42.93 N +ATOM 3055 N PHE B 128 23.090 37.362 29.437 1.00 42.43 N +ATOM 3056 CA PHE B 128 21.803 37.265 28.780 1.00 42.87 C +ATOM 3057 C PHE B 128 20.701 37.745 29.714 1.00 44.22 C +ATOM 3058 O PHE B 128 19.674 38.257 29.277 1.00 44.93 O +ATOM 3059 CB PHE B 128 21.509 35.829 28.367 1.00 41.35 C +ATOM 3060 CG PHE B 128 20.206 35.681 27.657 1.00 42.27 C +ATOM 3061 CD1 PHE B 128 20.122 35.861 26.287 1.00 42.09 C +ATOM 3062 CD2 PHE B 128 19.037 35.464 28.369 1.00 43.05 C +ATOM 3063 CE1 PHE B 128 18.890 35.834 25.637 1.00 41.51 C +ATOM 3064 CE2 PHE B 128 17.796 35.436 27.724 1.00 43.54 C +ATOM 3065 CZ PHE B 128 17.726 35.622 26.358 1.00 41.99 C +ATOM 3066 N SER B 129 20.919 37.573 31.008 1.00 44.82 N +ATOM 3067 CA SER B 129 19.937 37.975 31.992 1.00 44.87 C +ATOM 3068 C SER B 129 19.956 39.492 32.189 1.00 45.25 C +ATOM 3069 O SER B 129 18.908 40.111 32.389 1.00 44.00 O +ATOM 3070 CB SER B 129 20.229 37.263 33.314 1.00 44.37 C +ATOM 3071 OG SER B 129 19.082 37.220 34.137 1.00 45.69 O +ATOM 3072 N HIS B 130 21.149 40.084 32.114 1.00 45.28 N +ATOM 3073 CA HIS B 130 21.322 41.523 32.311 1.00 45.13 C +ATOM 3074 C HIS B 130 20.689 42.370 31.218 1.00 45.10 C +ATOM 3075 O HIS B 130 20.088 43.410 31.495 1.00 44.51 O +ATOM 3076 CB HIS B 130 22.812 41.887 32.429 1.00 44.29 C +ATOM 3077 CG HIS B 130 23.515 41.221 33.573 1.00 44.58 C +ATOM 3078 ND1 HIS B 130 22.938 41.066 34.815 1.00 43.94 N +ATOM 3079 CD2 HIS B 130 24.753 40.680 33.663 1.00 43.96 C +ATOM 3080 CE1 HIS B 130 23.789 40.455 35.619 1.00 42.74 C +ATOM 3081 NE2 HIS B 130 24.897 40.210 34.945 1.00 42.69 N +ATOM 3082 N GLN B 131 20.832 41.931 29.974 1.00 46.00 N +ATOM 3083 CA GLN B 131 20.262 42.662 28.851 1.00 46.76 C +ATOM 3084 C GLN B 131 18.749 42.675 28.973 1.00 45.92 C +ATOM 3085 O GLN B 131 18.094 43.610 28.521 1.00 46.22 O +ATOM 3086 CB GLN B 131 20.688 42.017 27.537 1.00 47.78 C +ATOM 3087 CG GLN B 131 22.190 41.959 27.389 1.00 52.20 C +ATOM 3088 CD GLN B 131 22.633 41.275 26.111 1.00 56.07 C +ATOM 3089 OE1 GLN B 131 22.128 40.197 25.764 1.00 59.00 O +ATOM 3090 NE2 GLN B 131 23.595 41.884 25.406 1.00 55.94 N +ATOM 3091 N ASN B 132 18.207 41.638 29.607 1.00 44.89 N +ATOM 3092 CA ASN B 132 16.775 41.505 29.818 1.00 43.54 C +ATOM 3093 C ASN B 132 16.347 42.063 31.150 1.00 43.06 C +ATOM 3094 O ASN B 132 15.361 41.614 31.726 1.00 43.43 O +ATOM 3095 CB ASN B 132 16.366 40.048 29.724 1.00 44.16 C +ATOM 3096 CG ASN B 132 16.337 39.561 28.306 1.00 45.64 C +ATOM 3097 OD1 ASN B 132 15.367 39.782 27.591 1.00 46.72 O +ATOM 3098 ND2 ASN B 132 17.411 38.914 27.876 1.00 46.20 N +ATOM 3099 N GLY B 133 17.110 43.039 31.631 1.00 42.60 N +ATOM 3100 CA GLY B 133 16.814 43.712 32.886 1.00 42.90 C +ATOM 3101 C GLY B 133 16.596 42.881 34.132 1.00 41.97 C +ATOM 3102 O GLY B 133 15.713 43.174 34.941 1.00 42.35 O +ATOM 3103 N ILE B 134 17.403 41.844 34.289 1.00 41.03 N +ATOM 3104 CA ILE B 134 17.295 40.987 35.452 1.00 40.02 C +ATOM 3105 C ILE B 134 18.666 40.778 36.040 1.00 39.48 C +ATOM 3106 O ILE B 134 19.650 40.654 35.321 1.00 39.11 O +ATOM 3107 CB ILE B 134 16.665 39.610 35.098 1.00 39.90 C +ATOM 3108 CG1 ILE B 134 15.167 39.789 34.842 1.00 38.79 C +ATOM 3109 CG2 ILE B 134 16.925 38.595 36.221 1.00 37.82 C +ATOM 3110 CD1 ILE B 134 14.395 38.516 34.792 1.00 37.97 C +ATOM 3111 N ILE B 135 18.728 40.767 37.360 1.00 39.45 N +ATOM 3112 CA ILE B 135 19.984 40.551 38.037 1.00 40.48 C +ATOM 3113 C ILE B 135 19.830 39.395 39.000 1.00 41.53 C +ATOM 3114 O ILE B 135 19.048 39.433 39.945 1.00 41.48 O +ATOM 3115 CB ILE B 135 20.459 41.833 38.769 1.00 41.26 C +ATOM 3116 CG1 ILE B 135 20.744 42.922 37.726 1.00 41.96 C +ATOM 3117 CG2 ILE B 135 21.726 41.554 39.585 1.00 37.97 C +ATOM 3118 CD1 ILE B 135 20.957 44.289 38.297 1.00 44.12 C +ATOM 3119 N HIS B 136 20.550 38.333 38.692 1.00 42.89 N +ATOM 3120 CA HIS B 136 20.570 37.142 39.505 1.00 44.84 C +ATOM 3121 C HIS B 136 21.404 37.675 40.644 1.00 47.19 C +ATOM 3122 O HIS B 136 22.348 38.412 40.401 1.00 49.81 O +ATOM 3123 CB HIS B 136 21.332 36.055 38.744 1.00 43.29 C +ATOM 3124 CG HIS B 136 21.313 34.719 39.405 1.00 43.21 C +ATOM 3125 ND1 HIS B 136 21.052 33.558 38.714 1.00 43.10 N +ATOM 3126 CD2 HIS B 136 21.495 34.359 40.695 1.00 42.13 C +ATOM 3127 CE1 HIS B 136 21.066 32.538 39.552 1.00 44.65 C +ATOM 3128 NE2 HIS B 136 21.332 32.998 40.761 1.00 43.77 N +ATOM 3129 N ARG B 137 21.088 37.368 41.887 1.00 48.92 N +ATOM 3130 CA ARG B 137 21.949 37.914 42.927 1.00 51.41 C +ATOM 3131 C ARG B 137 22.341 36.867 43.939 1.00 51.30 C +ATOM 3132 O ARG B 137 22.483 37.132 45.128 1.00 52.63 O +ATOM 3133 CB ARG B 137 21.274 39.111 43.586 1.00 53.70 C +ATOM 3134 CG ARG B 137 20.935 40.167 42.558 1.00 57.47 C +ATOM 3135 CD ARG B 137 20.340 41.392 43.176 1.00 59.14 C +ATOM 3136 NE ARG B 137 19.236 41.055 44.052 1.00 59.04 N +ATOM 3137 CZ ARG B 137 18.933 41.772 45.122 1.00 60.06 C +ATOM 3138 NH1 ARG B 137 19.658 42.846 45.419 1.00 58.41 N +ATOM 3139 NH2 ARG B 137 17.918 41.415 45.894 1.00 61.01 N +ATOM 3140 N ASP B 138 22.531 35.664 43.427 1.00 50.48 N +ATOM 3141 CA ASP B 138 22.911 34.534 44.232 1.00 49.48 C +ATOM 3142 C ASP B 138 23.822 33.737 43.323 1.00 48.62 C +ATOM 3143 O ASP B 138 23.733 32.513 43.251 1.00 48.77 O +ATOM 3144 CB ASP B 138 21.682 33.703 44.593 1.00 50.16 C +ATOM 3145 CG ASP B 138 21.773 33.091 45.972 1.00 50.47 C +ATOM 3146 OD1 ASP B 138 22.893 32.943 46.509 1.00 48.91 O +ATOM 3147 OD2 ASP B 138 20.703 32.749 46.517 1.00 52.51 O +ATOM 3148 N VAL B 139 24.671 34.437 42.585 1.00 46.58 N +ATOM 3149 CA VAL B 139 25.594 33.739 41.728 1.00 46.14 C +ATOM 3150 C VAL B 139 26.554 33.024 42.667 1.00 46.13 C +ATOM 3151 O VAL B 139 27.340 33.653 43.373 1.00 47.07 O +ATOM 3152 CB VAL B 139 26.346 34.710 40.826 1.00 46.12 C +ATOM 3153 CG1 VAL B 139 27.407 33.979 40.026 1.00 47.32 C +ATOM 3154 CG2 VAL B 139 25.376 35.362 39.891 1.00 46.88 C +ATOM 3155 N LYS B 140 26.453 31.702 42.700 1.00 45.56 N +ATOM 3156 CA LYS B 140 27.301 30.887 43.552 1.00 45.13 C +ATOM 3157 C LYS B 140 27.283 29.473 42.986 1.00 46.30 C +ATOM 3158 O LYS B 140 26.371 29.110 42.242 1.00 45.85 O +ATOM 3159 CB LYS B 140 26.776 30.906 44.993 1.00 43.89 C +ATOM 3160 CG LYS B 140 25.434 30.217 45.189 1.00 43.16 C +ATOM 3161 CD LYS B 140 24.848 30.445 46.579 1.00 41.67 C +ATOM 3162 CE LYS B 140 23.582 29.603 46.766 1.00 43.64 C +ATOM 3163 NZ LYS B 140 22.802 29.873 48.023 1.00 45.72 N +ATOM 3164 N PRO B 141 28.292 28.656 43.334 1.00 47.48 N +ATOM 3165 CA PRO B 141 28.488 27.261 42.908 1.00 47.25 C +ATOM 3166 C PRO B 141 27.276 26.346 43.031 1.00 47.12 C +ATOM 3167 O PRO B 141 26.957 25.611 42.100 1.00 48.27 O +ATOM 3168 CB PRO B 141 29.641 26.792 43.784 1.00 47.89 C +ATOM 3169 CG PRO B 141 30.440 28.040 43.966 1.00 48.44 C +ATOM 3170 CD PRO B 141 29.367 29.068 44.252 1.00 47.82 C +ATOM 3171 N ALA B 142 26.607 26.375 44.178 1.00 45.41 N +ATOM 3172 CA ALA B 142 25.430 25.535 44.362 1.00 44.68 C +ATOM 3173 C ALA B 142 24.262 25.973 43.462 1.00 43.83 C +ATOM 3174 O ALA B 142 23.203 25.333 43.445 1.00 41.84 O +ATOM 3175 CB ALA B 142 25.008 25.554 45.821 1.00 45.83 C +ATOM 3176 N ASN B 143 24.467 27.062 42.720 1.00 42.69 N +ATOM 3177 CA ASN B 143 23.456 27.597 41.821 1.00 42.60 C +ATOM 3178 C ASN B 143 23.851 27.553 40.352 1.00 43.26 C +ATOM 3179 O ASN B 143 23.301 28.272 39.530 1.00 45.48 O +ATOM 3180 CB ASN B 143 23.109 29.032 42.201 1.00 42.29 C +ATOM 3181 CG ASN B 143 22.141 29.110 43.362 1.00 44.10 C +ATOM 3182 OD1 ASN B 143 21.509 28.121 43.735 1.00 43.26 O +ATOM 3183 ND2 ASN B 143 22.002 30.302 43.930 1.00 44.39 N +ATOM 3184 N ILE B 144 24.818 26.720 40.016 1.00 42.97 N +ATOM 3185 CA ILE B 144 25.229 26.577 38.632 1.00 42.78 C +ATOM 3186 C ILE B 144 25.433 25.103 38.417 1.00 42.94 C +ATOM 3187 O ILE B 144 26.305 24.513 39.034 1.00 42.89 O +ATOM 3188 CB ILE B 144 26.542 27.285 38.349 1.00 42.62 C +ATOM 3189 CG1 ILE B 144 26.371 28.788 38.571 1.00 42.23 C +ATOM 3190 CG2 ILE B 144 26.988 26.970 36.936 1.00 39.78 C +ATOM 3191 CD1 ILE B 144 27.663 29.582 38.541 1.00 39.87 C +ATOM 3192 N MET B 145 24.622 24.504 37.557 1.00 43.35 N +ATOM 3193 CA MET B 145 24.741 23.078 37.298 1.00 44.11 C +ATOM 3194 C MET B 145 25.374 22.693 35.967 1.00 45.06 C +ATOM 3195 O MET B 145 25.215 23.381 34.953 1.00 43.89 O +ATOM 3196 CB MET B 145 23.371 22.396 37.397 1.00 43.15 C +ATOM 3197 CG MET B 145 22.947 22.034 38.801 1.00 43.82 C +ATOM 3198 SD MET B 145 21.258 21.402 38.906 1.00 45.60 S +ATOM 3199 CE MET B 145 21.544 19.701 38.997 1.00 45.98 C +ATOM 3200 N ILE B 146 26.116 21.586 36.006 1.00 46.46 N +ATOM 3201 CA ILE B 146 26.740 21.008 34.828 1.00 47.07 C +ATOM 3202 C ILE B 146 25.937 19.723 34.640 1.00 47.47 C +ATOM 3203 O ILE B 146 25.763 18.956 35.589 1.00 46.27 O +ATOM 3204 CB ILE B 146 28.231 20.661 35.041 1.00 46.29 C +ATOM 3205 CG1 ILE B 146 29.052 21.921 35.317 1.00 46.34 C +ATOM 3206 CG2 ILE B 146 28.791 20.046 33.776 1.00 46.80 C +ATOM 3207 CD1 ILE B 146 28.790 22.541 36.639 1.00 46.78 C +ATOM 3208 N SER B 147 25.438 19.515 33.423 1.00 48.70 N +ATOM 3209 CA SER B 147 24.620 18.353 33.083 1.00 51.25 C +ATOM 3210 C SER B 147 25.396 17.107 32.678 1.00 52.45 C +ATOM 3211 O SER B 147 26.623 17.102 32.636 1.00 52.04 O +ATOM 3212 CB SER B 147 23.679 18.694 31.933 1.00 51.76 C +ATOM 3213 OG SER B 147 24.345 18.545 30.686 1.00 51.40 O +ATOM 3214 N ALA B 148 24.644 16.051 32.375 1.00 54.45 N +ATOM 3215 CA ALA B 148 25.208 14.780 31.934 1.00 54.90 C +ATOM 3216 C ALA B 148 25.823 15.068 30.584 1.00 54.38 C +ATOM 3217 O ALA B 148 26.969 14.714 30.329 1.00 54.46 O +ATOM 3218 CB ALA B 148 24.111 13.734 31.797 1.00 55.85 C +ATOM 3219 N THR B 149 25.048 15.726 29.728 1.00 54.13 N +ATOM 3220 CA THR B 149 25.508 16.113 28.401 1.00 55.41 C +ATOM 3221 C THR B 149 26.587 17.169 28.633 1.00 54.80 C +ATOM 3222 O THR B 149 27.003 17.892 27.725 1.00 53.57 O +ATOM 3223 CB THR B 149 24.375 16.757 27.590 1.00 57.57 C +ATOM 3224 OG1 THR B 149 23.178 15.979 27.728 1.00 59.77 O +ATOM 3225 CG2 THR B 149 24.765 16.854 26.119 1.00 57.75 C +ATOM 3226 N ASN B 150 27.003 17.244 29.890 1.00 55.15 N +ATOM 3227 CA ASN B 150 28.015 18.165 30.372 1.00 54.63 C +ATOM 3228 C ASN B 150 27.790 19.604 29.929 1.00 52.85 C +ATOM 3229 O ASN B 150 28.708 20.273 29.445 1.00 52.62 O +ATOM 3230 CB ASN B 150 29.414 17.675 29.974 1.00 56.52 C +ATOM 3231 CG ASN B 150 30.495 18.189 30.920 1.00 59.95 C +ATOM 3232 OD1 ASN B 150 30.959 19.333 30.800 1.00 61.30 O +ATOM 3233 ND2 ASN B 150 30.880 17.354 31.890 1.00 60.92 N +ATOM 3234 N ALA B 151 26.556 20.071 30.117 1.00 50.55 N +ATOM 3235 CA ALA B 151 26.157 21.436 29.776 1.00 47.76 C +ATOM 3236 C ALA B 151 26.069 22.328 31.033 1.00 46.69 C +ATOM 3237 O ALA B 151 25.906 21.842 32.152 1.00 47.13 O +ATOM 3238 CB ALA B 151 24.818 21.409 29.062 1.00 46.22 C +ATOM 3239 N VAL B 152 26.189 23.636 30.845 1.00 45.23 N +ATOM 3240 CA VAL B 152 26.101 24.580 31.956 1.00 42.15 C +ATOM 3241 C VAL B 152 24.682 25.146 32.077 1.00 40.94 C +ATOM 3242 O VAL B 152 24.039 25.485 31.081 1.00 38.52 O +ATOM 3243 CB VAL B 152 27.148 25.731 31.788 1.00 41.15 C +ATOM 3244 CG1 VAL B 152 26.629 27.043 32.349 1.00 40.46 C +ATOM 3245 CG2 VAL B 152 28.426 25.356 32.506 1.00 41.72 C +ATOM 3246 N LYS B 153 24.200 25.228 33.313 1.00 40.37 N +ATOM 3247 CA LYS B 153 22.870 25.741 33.595 1.00 39.61 C +ATOM 3248 C LYS B 153 22.899 26.564 34.882 1.00 40.04 C +ATOM 3249 O LYS B 153 23.276 26.041 35.924 1.00 40.50 O +ATOM 3250 CB LYS B 153 21.903 24.571 33.772 1.00 38.81 C +ATOM 3251 CG LYS B 153 21.769 23.651 32.573 1.00 35.67 C +ATOM 3252 CD LYS B 153 20.960 24.307 31.495 1.00 35.99 C +ATOM 3253 CE LYS B 153 20.548 23.333 30.425 1.00 32.92 C +ATOM 3254 NZ LYS B 153 19.643 24.006 29.461 1.00 33.60 N +ATOM 3255 N VAL B 154 22.516 27.842 34.809 1.00 40.74 N +ATOM 3256 CA VAL B 154 22.468 28.716 35.999 1.00 41.28 C +ATOM 3257 C VAL B 154 21.038 28.596 36.497 1.00 40.96 C +ATOM 3258 O VAL B 154 20.119 28.559 35.679 1.00 39.11 O +ATOM 3259 CB VAL B 154 22.761 30.202 35.664 1.00 40.28 C +ATOM 3260 CG1 VAL B 154 22.721 31.025 36.922 1.00 39.03 C +ATOM 3261 CG2 VAL B 154 24.123 30.339 35.009 1.00 40.56 C +ATOM 3262 N MET B 155 20.823 28.568 37.812 1.00 42.01 N +ATOM 3263 CA MET B 155 19.462 28.356 38.253 1.00 44.19 C +ATOM 3264 C MET B 155 18.790 28.889 39.497 1.00 46.15 C +ATOM 3265 O MET B 155 17.738 28.356 39.840 1.00 49.17 O +ATOM 3266 CB MET B 155 19.191 26.863 38.235 1.00 44.14 C +ATOM 3267 CG MET B 155 20.366 26.050 38.710 1.00 46.30 C +ATOM 3268 SD MET B 155 19.923 24.784 39.871 1.00 48.39 S +ATOM 3269 CE MET B 155 20.616 25.480 41.331 1.00 47.76 C +ATOM 3270 N ASP B 156 19.302 29.891 40.199 1.00 45.89 N +ATOM 3271 CA ASP B 156 18.512 30.320 41.361 1.00 45.93 C +ATOM 3272 C ASP B 156 18.139 31.800 41.369 1.00 46.10 C +ATOM 3273 O ASP B 156 18.815 32.633 41.976 1.00 45.49 O +ATOM 3274 CB ASP B 156 19.202 29.927 42.674 1.00 46.76 C +ATOM 3275 CG ASP B 156 18.243 29.921 43.873 1.00 47.81 C +ATOM 3276 OD1 ASP B 156 17.025 29.763 43.660 1.00 46.57 O +ATOM 3277 OD2 ASP B 156 18.709 30.052 45.033 1.00 49.20 O +ATOM 3278 N PHE B 157 17.032 32.104 40.693 1.00 45.74 N +ATOM 3279 CA PHE B 157 16.515 33.465 40.579 1.00 45.24 C +ATOM 3280 C PHE B 157 15.606 33.837 41.743 1.00 44.54 C +ATOM 3281 O PHE B 157 14.716 34.667 41.597 1.00 45.03 O +ATOM 3282 CB PHE B 157 15.763 33.626 39.244 1.00 44.25 C +ATOM 3283 CG PHE B 157 16.670 33.663 38.045 1.00 43.60 C +ATOM 3284 CD1 PHE B 157 17.336 34.832 37.697 1.00 43.36 C +ATOM 3285 CD2 PHE B 157 16.942 32.507 37.326 1.00 43.56 C +ATOM 3286 CE1 PHE B 157 18.269 34.852 36.655 1.00 42.25 C +ATOM 3287 CE2 PHE B 157 17.873 32.521 36.286 1.00 43.86 C +ATOM 3288 CZ PHE B 157 18.541 33.703 35.953 1.00 41.01 C +ATOM 3289 N GLY B 158 15.846 33.238 42.903 1.00 43.99 N +ATOM 3290 CA GLY B 158 15.013 33.524 44.055 1.00 45.46 C +ATOM 3291 C GLY B 158 15.215 34.907 44.639 1.00 45.40 C +ATOM 3292 O GLY B 158 14.355 35.430 45.342 1.00 45.27 O +ATOM 3293 N ILE B 159 16.358 35.503 44.336 1.00 45.51 N +ATOM 3294 CA ILE B 159 16.699 36.820 44.839 1.00 44.41 C +ATOM 3295 C ILE B 159 16.969 37.773 43.691 1.00 45.34 C +ATOM 3296 O ILE B 159 17.413 38.901 43.902 1.00 45.07 O +ATOM 3297 CB ILE B 159 17.944 36.732 45.710 1.00 44.24 C +ATOM 3298 CG1 ILE B 159 17.712 35.695 46.796 1.00 43.77 C +ATOM 3299 CG2 ILE B 159 18.303 38.080 46.268 1.00 44.59 C +ATOM 3300 CD1 ILE B 159 16.389 35.825 47.452 1.00 43.96 C +ATOM 3301 N ALA B 160 16.727 37.315 42.467 1.00 46.65 N +ATOM 3302 CA ALA B 160 16.954 38.178 41.325 1.00 49.11 C +ATOM 3303 C ALA B 160 16.069 39.411 41.507 1.00 50.13 C +ATOM 3304 O ALA B 160 15.030 39.348 42.167 1.00 47.86 O +ATOM 3305 CB ALA B 160 16.612 37.458 40.038 1.00 49.36 C +ATOM 3306 N ARG B 161 16.503 40.533 40.939 1.00 51.91 N +ATOM 3307 CA ARG B 161 15.768 41.790 41.035 1.00 54.11 C +ATOM 3308 C ARG B 161 15.715 42.392 39.624 1.00 55.04 C +ATOM 3309 O ARG B 161 16.741 42.490 38.945 1.00 54.75 O +ATOM 3310 CB ARG B 161 16.497 42.736 41.996 1.00 55.35 C +ATOM 3311 CG ARG B 161 15.603 43.551 42.937 1.00 56.81 C +ATOM 3312 CD ARG B 161 15.505 42.920 44.325 1.00 56.45 C +ATOM 3313 NE ARG B 161 14.900 43.795 45.345 1.00 57.18 N +ATOM 3314 CZ ARG B 161 15.423 44.937 45.809 1.00 56.16 C +ATOM 3315 NH1 ARG B 161 16.579 45.404 45.356 1.00 55.45 N +ATOM 3316 NH2 ARG B 161 14.798 45.604 46.771 1.00 56.22 N +ATOM 3317 N ALA B 162 14.517 42.784 39.190 1.00 56.58 N +ATOM 3318 CA ALA B 162 14.310 43.350 37.850 1.00 57.68 C +ATOM 3319 C ALA B 162 14.492 44.867 37.778 1.00 58.04 C +ATOM 3320 O ALA B 162 13.561 45.636 38.030 1.00 57.76 O +ATOM 3321 CB ALA B 162 12.914 42.967 37.328 1.00 56.35 C +ATOM 3322 N ILE B 163 15.690 45.292 37.403 1.00 58.70 N +ATOM 3323 CA ILE B 163 15.976 46.714 37.310 1.00 60.24 C +ATOM 3324 C ILE B 163 15.509 47.338 35.991 1.00 60.54 C +ATOM 3325 O ILE B 163 14.560 48.127 35.967 1.00 60.75 O +ATOM 3326 CB ILE B 163 17.491 46.978 37.508 1.00 60.37 C +ATOM 3327 CG1 ILE B 163 18.265 46.764 36.184 1.00 58.43 C +ATOM 3328 CG2 ILE B 163 17.994 46.110 38.685 1.00 59.81 C +ATOM 3329 CD1 ILE B 163 18.206 45.369 35.595 1.00 55.98 C +ATOM 3330 N THR B 179 27.381 30.905 51.587 1.00 62.56 N +ATOM 3331 CA THR B 179 26.211 31.701 51.225 1.00 65.03 C +ATOM 3332 C THR B 179 26.518 33.203 51.324 1.00 64.71 C +ATOM 3333 O THR B 179 25.871 34.039 50.670 1.00 64.34 O +ATOM 3334 CB THR B 179 24.985 31.385 52.153 1.00 66.38 C +ATOM 3335 OG1 THR B 179 25.252 31.835 53.494 1.00 66.82 O +ATOM 3336 CG2 THR B 179 24.696 29.875 52.171 1.00 66.86 C +ATOM 3337 N ALA B 180 27.507 33.534 52.150 1.00 63.45 N +ATOM 3338 CA ALA B 180 27.911 34.921 52.367 1.00 61.35 C +ATOM 3339 C ALA B 180 29.290 35.189 51.767 1.00 60.70 C +ATOM 3340 O ALA B 180 29.799 36.316 51.836 1.00 60.82 O +ATOM 3341 CB ALA B 180 27.940 35.210 53.857 1.00 60.19 C +ATOM 3342 N GLN B 181 29.875 34.148 51.167 1.00 59.25 N +ATOM 3343 CA GLN B 181 31.213 34.211 50.583 1.00 55.98 C +ATOM 3344 C GLN B 181 31.322 34.761 49.168 1.00 54.13 C +ATOM 3345 O GLN B 181 32.346 35.319 48.799 1.00 54.34 O +ATOM 3346 CB GLN B 181 31.844 32.822 50.605 1.00 55.32 C +ATOM 3347 CG GLN B 181 31.801 32.137 51.946 1.00 56.83 C +ATOM 3348 CD GLN B 181 32.714 30.925 51.995 1.00 59.82 C +ATOM 3349 OE1 GLN B 181 32.497 29.929 51.288 1.00 60.33 O +ATOM 3350 NE2 GLN B 181 33.754 31.006 52.827 1.00 60.17 N +ATOM 3351 N TYR B 182 30.271 34.619 48.376 1.00 52.15 N +ATOM 3352 CA TYR B 182 30.310 35.074 46.995 1.00 50.13 C +ATOM 3353 C TYR B 182 29.847 36.510 46.777 1.00 48.50 C +ATOM 3354 O TYR B 182 30.054 37.088 45.713 1.00 47.85 O +ATOM 3355 CB TYR B 182 29.488 34.092 46.156 1.00 50.26 C +ATOM 3356 CG TYR B 182 29.929 32.667 46.418 1.00 50.49 C +ATOM 3357 CD1 TYR B 182 31.076 32.151 45.813 1.00 50.80 C +ATOM 3358 CD2 TYR B 182 29.277 31.880 47.365 1.00 50.50 C +ATOM 3359 CE1 TYR B 182 31.567 30.893 46.151 1.00 51.52 C +ATOM 3360 CE2 TYR B 182 29.757 30.621 47.714 1.00 51.32 C +ATOM 3361 CZ TYR B 182 30.907 30.132 47.105 1.00 52.33 C +ATOM 3362 OH TYR B 182 31.407 28.898 47.466 1.00 52.22 O +ATOM 3363 N LEU B 183 29.248 37.097 47.804 1.00 47.35 N +ATOM 3364 CA LEU B 183 28.732 38.447 47.709 1.00 45.27 C +ATOM 3365 C LEU B 183 29.771 39.509 47.457 1.00 45.06 C +ATOM 3366 O LEU B 183 30.899 39.424 47.903 1.00 44.27 O +ATOM 3367 CB LEU B 183 27.960 38.807 48.967 1.00 44.85 C +ATOM 3368 CG LEU B 183 26.787 37.906 49.348 1.00 45.51 C +ATOM 3369 CD1 LEU B 183 26.038 38.555 50.510 1.00 43.55 C +ATOM 3370 CD2 LEU B 183 25.862 37.692 48.144 1.00 45.24 C +ATOM 3371 N SER B 184 29.352 40.528 46.732 1.00 45.80 N +ATOM 3372 CA SER B 184 30.205 41.643 46.407 1.00 45.72 C +ATOM 3373 C SER B 184 30.187 42.561 47.609 1.00 45.86 C +ATOM 3374 O SER B 184 29.358 42.401 48.495 1.00 44.99 O +ATOM 3375 CB SER B 184 29.636 42.373 45.194 1.00 46.51 C +ATOM 3376 OG SER B 184 28.327 42.853 45.458 1.00 45.77 O +ATOM 3377 N PRO B 185 31.113 43.526 47.662 1.00 46.28 N +ATOM 3378 CA PRO B 185 31.152 44.461 48.785 1.00 47.18 C +ATOM 3379 C PRO B 185 29.889 45.317 48.711 1.00 48.20 C +ATOM 3380 O PRO B 185 29.210 45.541 49.718 1.00 47.74 O +ATOM 3381 CB PRO B 185 32.417 45.269 48.516 1.00 46.80 C +ATOM 3382 CG PRO B 185 33.285 44.303 47.771 1.00 46.86 C +ATOM 3383 CD PRO B 185 32.304 43.684 46.815 1.00 46.34 C +ATOM 3384 N GLU B 186 29.586 45.799 47.508 1.00 49.09 N +ATOM 3385 CA GLU B 186 28.386 46.591 47.309 1.00 51.64 C +ATOM 3386 C GLU B 186 27.302 45.784 48.005 1.00 53.79 C +ATOM 3387 O GLU B 186 26.928 46.056 49.149 1.00 53.68 O +ATOM 3388 CB GLU B 186 28.029 46.698 45.822 1.00 51.24 C +ATOM 3389 CG GLU B 186 29.171 47.041 44.883 1.00 51.83 C +ATOM 3390 CD GLU B 186 29.650 45.841 44.087 1.00 52.30 C +ATOM 3391 OE1 GLU B 186 30.350 44.988 44.665 1.00 51.25 O +ATOM 3392 OE2 GLU B 186 29.316 45.745 42.885 1.00 52.29 O +ATOM 3393 N GLN B 187 26.830 44.765 47.292 1.00 56.34 N +ATOM 3394 CA GLN B 187 25.805 43.839 47.769 1.00 58.30 C +ATOM 3395 C GLN B 187 25.940 43.528 49.255 1.00 59.81 C +ATOM 3396 O GLN B 187 24.944 43.298 49.941 1.00 59.21 O +ATOM 3397 CB GLN B 187 25.899 42.542 46.967 1.00 58.03 C +ATOM 3398 CG GLN B 187 24.946 41.443 47.380 1.00 57.35 C +ATOM 3399 CD GLN B 187 24.839 40.360 46.313 1.00 58.33 C +ATOM 3400 OE1 GLN B 187 25.711 40.235 45.429 1.00 58.79 O +ATOM 3401 NE2 GLN B 187 23.775 39.564 46.392 1.00 56.11 N +ATOM 3402 N ALA B 188 27.181 43.519 49.739 1.00 61.85 N +ATOM 3403 CA ALA B 188 27.478 43.234 51.141 1.00 62.04 C +ATOM 3404 C ALA B 188 26.716 44.160 52.076 1.00 61.56 C +ATOM 3405 O ALA B 188 26.087 43.710 53.032 1.00 59.81 O +ATOM 3406 CB ALA B 188 28.988 43.367 51.397 1.00 63.75 C +ATOM 3407 N ARG B 189 26.774 45.456 51.786 1.00 61.52 N +ATOM 3408 CA ARG B 189 26.114 46.466 52.610 1.00 61.96 C +ATOM 3409 C ARG B 189 24.607 46.546 52.376 1.00 62.77 C +ATOM 3410 O ARG B 189 23.809 46.620 53.318 1.00 62.01 O +ATOM 3411 CB ARG B 189 26.752 47.820 52.326 1.00 60.90 C +ATOM 3412 CG ARG B 189 28.214 47.683 51.976 1.00 61.64 C +ATOM 3413 CD ARG B 189 28.891 49.013 51.721 1.00 61.79 C +ATOM 3414 NE ARG B 189 30.320 48.836 51.475 1.00 63.96 N +ATOM 3415 CZ ARG B 189 31.133 48.089 52.231 1.00 65.39 C +ATOM 3416 NH1 ARG B 189 30.662 47.429 53.293 1.00 64.98 N +ATOM 3417 NH2 ARG B 189 32.430 48.009 51.932 1.00 64.91 N +ATOM 3418 N GLY B 190 24.237 46.516 51.103 1.00 64.35 N +ATOM 3419 CA GLY B 190 22.847 46.620 50.707 1.00 65.82 C +ATOM 3420 C GLY B 190 22.870 47.640 49.589 1.00 67.71 C +ATOM 3421 O GLY B 190 21.890 47.843 48.861 1.00 68.31 O +ATOM 3422 N ASP B 191 24.024 48.293 49.468 1.00 68.90 N +ATOM 3423 CA ASP B 191 24.247 49.293 48.441 1.00 69.50 C +ATOM 3424 C ASP B 191 23.831 48.730 47.095 1.00 69.50 C +ATOM 3425 O ASP B 191 24.046 47.541 46.813 1.00 70.33 O +ATOM 3426 CB ASP B 191 25.721 49.688 48.426 1.00 70.25 C +ATOM 3427 CG ASP B 191 26.075 50.597 49.582 1.00 71.54 C +ATOM 3428 OD1 ASP B 191 25.650 51.777 49.550 1.00 72.19 O +ATOM 3429 OD2 ASP B 191 26.756 50.138 50.527 1.00 72.42 O +ATOM 3430 N SER B 192 23.222 49.586 46.279 1.00 68.31 N +ATOM 3431 CA SER B 192 22.744 49.200 44.959 1.00 67.49 C +ATOM 3432 C SER B 192 23.561 48.091 44.283 1.00 66.06 C +ATOM 3433 O SER B 192 24.772 48.222 44.063 1.00 66.67 O +ATOM 3434 CB SER B 192 22.690 50.438 44.064 1.00 68.74 C +ATOM 3435 OG SER B 192 21.857 51.427 44.647 1.00 69.11 O +ATOM 3436 N VAL B 193 22.877 46.999 43.962 1.00 63.57 N +ATOM 3437 CA VAL B 193 23.484 45.836 43.316 1.00 61.35 C +ATOM 3438 C VAL B 193 23.175 45.817 41.823 1.00 59.56 C +ATOM 3439 O VAL B 193 22.057 46.153 41.409 1.00 59.75 O +ATOM 3440 CB VAL B 193 22.946 44.525 43.948 1.00 61.55 C +ATOM 3441 CG1 VAL B 193 23.167 43.345 43.019 1.00 61.28 C +ATOM 3442 CG2 VAL B 193 23.627 44.289 45.282 1.00 61.50 C +ATOM 3443 N ASP B 194 24.157 45.418 41.017 1.00 56.25 N +ATOM 3444 CA ASP B 194 23.952 45.363 39.576 1.00 54.39 C +ATOM 3445 C ASP B 194 24.848 44.369 38.854 1.00 51.76 C +ATOM 3446 O ASP B 194 25.508 43.549 39.485 1.00 51.64 O +ATOM 3447 CB ASP B 194 24.125 46.754 38.974 1.00 56.08 C +ATOM 3448 CG ASP B 194 25.533 47.275 39.105 1.00 57.60 C +ATOM 3449 OD1 ASP B 194 25.697 48.507 39.006 1.00 59.02 O +ATOM 3450 OD2 ASP B 194 26.471 46.466 39.293 1.00 57.64 O +ATOM 3451 N ALA B 195 24.865 44.453 37.527 1.00 48.00 N +ATOM 3452 CA ALA B 195 25.656 43.554 36.705 1.00 45.37 C +ATOM 3453 C ALA B 195 27.048 43.299 37.244 1.00 44.47 C +ATOM 3454 O ALA B 195 27.492 42.157 37.314 1.00 44.52 O +ATOM 3455 CB ALA B 195 25.753 44.090 35.312 1.00 44.01 C +ATOM 3456 N ARG B 196 27.739 44.359 37.632 1.00 42.99 N +ATOM 3457 CA ARG B 196 29.093 44.217 38.134 1.00 43.01 C +ATOM 3458 C ARG B 196 29.153 43.456 39.452 1.00 43.07 C +ATOM 3459 O ARG B 196 30.199 42.932 39.837 1.00 42.71 O +ATOM 3460 CB ARG B 196 29.737 45.601 38.254 1.00 43.21 C +ATOM 3461 CG ARG B 196 30.017 46.240 36.895 1.00 41.69 C +ATOM 3462 CD ARG B 196 30.118 47.731 37.001 1.00 41.52 C +ATOM 3463 NE ARG B 196 28.868 48.314 37.470 1.00 42.66 N +ATOM 3464 CZ ARG B 196 28.777 49.491 38.079 1.00 43.33 C +ATOM 3465 NH1 ARG B 196 29.864 50.218 38.299 1.00 43.58 N +ATOM 3466 NH2 ARG B 196 27.600 49.943 38.470 1.00 44.22 N +ATOM 3467 N SER B 197 28.024 43.391 40.141 1.00 43.11 N +ATOM 3468 CA SER B 197 27.959 42.667 41.390 1.00 43.25 C +ATOM 3469 C SER B 197 27.975 41.219 40.978 1.00 43.14 C +ATOM 3470 O SER B 197 28.741 40.427 41.503 1.00 42.90 O +ATOM 3471 CB SER B 197 26.660 42.979 42.122 1.00 44.79 C +ATOM 3472 OG SER B 197 26.545 44.365 42.396 1.00 48.31 O +ATOM 3473 N ASP B 198 27.122 40.881 40.017 1.00 43.49 N +ATOM 3474 CA ASP B 198 27.039 39.516 39.501 1.00 43.34 C +ATOM 3475 C ASP B 198 28.389 39.057 38.998 1.00 42.66 C +ATOM 3476 O ASP B 198 28.799 37.941 39.273 1.00 44.79 O +ATOM 3477 CB ASP B 198 26.023 39.427 38.363 1.00 43.37 C +ATOM 3478 CG ASP B 198 24.614 39.226 38.862 1.00 44.04 C +ATOM 3479 OD1 ASP B 198 24.405 39.387 40.095 1.00 43.74 O +ATOM 3480 OD2 ASP B 198 23.733 38.914 38.023 1.00 40.38 O +ATOM 3481 N VAL B 199 29.069 39.913 38.243 1.00 40.84 N +ATOM 3482 CA VAL B 199 30.388 39.594 37.729 1.00 38.85 C +ATOM 3483 C VAL B 199 31.280 39.200 38.907 1.00 40.83 C +ATOM 3484 O VAL B 199 31.872 38.111 38.926 1.00 40.39 O +ATOM 3485 CB VAL B 199 30.980 40.805 37.011 1.00 36.52 C +ATOM 3486 CG1 VAL B 199 32.477 40.638 36.818 1.00 36.52 C +ATOM 3487 CG2 VAL B 199 30.306 40.968 35.690 1.00 34.44 C +ATOM 3488 N TYR B 200 31.360 40.093 39.890 1.00 42.00 N +ATOM 3489 CA TYR B 200 32.156 39.858 41.080 1.00 42.47 C +ATOM 3490 C TYR B 200 31.880 38.459 41.590 1.00 42.91 C +ATOM 3491 O TYR B 200 32.806 37.685 41.787 1.00 44.50 O +ATOM 3492 CB TYR B 200 31.806 40.866 42.163 1.00 44.10 C +ATOM 3493 CG TYR B 200 32.760 40.857 43.331 1.00 46.50 C +ATOM 3494 CD1 TYR B 200 33.942 41.594 43.299 1.00 48.90 C +ATOM 3495 CD2 TYR B 200 32.493 40.102 44.466 1.00 48.02 C +ATOM 3496 CE1 TYR B 200 34.837 41.581 44.379 1.00 50.25 C +ATOM 3497 CE2 TYR B 200 33.381 40.080 45.549 1.00 49.50 C +ATOM 3498 CZ TYR B 200 34.546 40.822 45.498 1.00 50.09 C +ATOM 3499 OH TYR B 200 35.406 40.811 46.572 1.00 51.86 O +ATOM 3500 N SER B 201 30.605 38.137 41.798 1.00 43.45 N +ATOM 3501 CA SER B 201 30.209 36.810 42.276 1.00 44.32 C +ATOM 3502 C SER B 201 30.712 35.726 41.343 1.00 44.78 C +ATOM 3503 O SER B 201 31.151 34.674 41.791 1.00 44.90 O +ATOM 3504 CB SER B 201 28.689 36.691 42.391 1.00 43.91 C +ATOM 3505 OG SER B 201 28.193 37.403 43.510 1.00 46.77 O +ATOM 3506 N LEU B 202 30.649 35.983 40.043 1.00 44.71 N +ATOM 3507 CA LEU B 202 31.117 35.009 39.078 1.00 45.44 C +ATOM 3508 C LEU B 202 32.621 34.885 39.241 1.00 45.93 C +ATOM 3509 O LEU B 202 33.202 33.824 39.010 1.00 45.79 O +ATOM 3510 CB LEU B 202 30.768 35.445 37.659 1.00 45.39 C +ATOM 3511 CG LEU B 202 30.656 34.250 36.707 1.00 45.83 C +ATOM 3512 CD1 LEU B 202 29.782 33.159 37.341 1.00 44.10 C +ATOM 3513 CD2 LEU B 202 30.071 34.707 35.387 1.00 45.07 C +ATOM 3514 N GLY B 203 33.248 35.982 39.645 1.00 46.01 N +ATOM 3515 CA GLY B 203 34.678 35.955 39.869 1.00 45.45 C +ATOM 3516 C GLY B 203 34.955 35.004 41.019 1.00 44.67 C +ATOM 3517 O GLY B 203 35.859 34.172 40.963 1.00 44.23 O +ATOM 3518 N CYS B 204 34.157 35.120 42.069 1.00 43.36 N +ATOM 3519 CA CYS B 204 34.333 34.267 43.221 1.00 44.06 C +ATOM 3520 C CYS B 204 34.064 32.819 42.892 1.00 44.36 C +ATOM 3521 O CYS B 204 34.661 31.930 43.494 1.00 45.33 O +ATOM 3522 CB CYS B 204 33.431 34.718 44.356 1.00 43.54 C +ATOM 3523 SG CYS B 204 34.024 36.192 45.153 1.00 44.70 S +ATOM 3524 N VAL B 205 33.168 32.572 41.943 1.00 44.03 N +ATOM 3525 CA VAL B 205 32.888 31.202 41.563 1.00 43.80 C +ATOM 3526 C VAL B 205 33.985 30.692 40.640 1.00 44.68 C +ATOM 3527 O VAL B 205 34.416 29.543 40.751 1.00 44.37 O +ATOM 3528 CB VAL B 205 31.545 31.066 40.875 1.00 43.14 C +ATOM 3529 CG1 VAL B 205 31.348 29.621 40.426 1.00 42.68 C +ATOM 3530 CG2 VAL B 205 30.449 31.457 41.838 1.00 43.00 C +ATOM 3531 N LEU B 206 34.444 31.546 39.733 1.00 45.18 N +ATOM 3532 CA LEU B 206 35.519 31.157 38.831 1.00 45.72 C +ATOM 3533 C LEU B 206 36.691 30.671 39.663 1.00 47.05 C +ATOM 3534 O LEU B 206 37.199 29.579 39.449 1.00 47.68 O +ATOM 3535 CB LEU B 206 35.982 32.342 37.991 1.00 44.05 C +ATOM 3536 CG LEU B 206 37.294 32.081 37.257 1.00 42.10 C +ATOM 3537 CD1 LEU B 206 37.160 30.822 36.440 1.00 41.99 C +ATOM 3538 CD2 LEU B 206 37.643 33.260 36.386 1.00 40.19 C +ATOM 3539 N TYR B 207 37.100 31.506 40.615 1.00 48.15 N +ATOM 3540 CA TYR B 207 38.215 31.243 41.527 1.00 49.21 C +ATOM 3541 C TYR B 207 38.154 29.888 42.255 1.00 49.63 C +ATOM 3542 O TYR B 207 39.140 29.142 42.264 1.00 48.31 O +ATOM 3543 CB TYR B 207 38.288 32.381 42.553 1.00 49.92 C +ATOM 3544 CG TYR B 207 39.533 32.418 43.426 1.00 49.96 C +ATOM 3545 CD1 TYR B 207 40.408 33.503 43.375 1.00 48.94 C +ATOM 3546 CD2 TYR B 207 39.815 31.391 44.332 1.00 49.00 C +ATOM 3547 CE1 TYR B 207 41.527 33.565 44.207 1.00 48.05 C +ATOM 3548 CE2 TYR B 207 40.928 31.448 45.165 1.00 47.71 C +ATOM 3549 CZ TYR B 207 41.777 32.535 45.096 1.00 47.29 C +ATOM 3550 OH TYR B 207 42.878 32.593 45.911 1.00 46.77 O +ATOM 3551 N GLU B 208 37.013 29.579 42.874 1.00 50.15 N +ATOM 3552 CA GLU B 208 36.855 28.315 43.598 1.00 50.37 C +ATOM 3553 C GLU B 208 36.963 27.085 42.692 1.00 50.39 C +ATOM 3554 O GLU B 208 37.108 25.957 43.154 1.00 48.27 O +ATOM 3555 CB GLU B 208 35.523 28.302 44.331 1.00 49.30 C +ATOM 3556 CG GLU B 208 35.274 27.031 45.098 1.00 48.58 C +ATOM 3557 CD GLU B 208 34.361 27.264 46.269 1.00 50.56 C +ATOM 3558 OE1 GLU B 208 33.322 27.930 46.061 1.00 51.51 O +ATOM 3559 OE2 GLU B 208 34.676 26.791 47.389 1.00 49.45 O +ATOM 3560 N VAL B 209 36.875 27.319 41.391 1.00 51.95 N +ATOM 3561 CA VAL B 209 36.990 26.256 40.404 1.00 54.00 C +ATOM 3562 C VAL B 209 38.497 26.039 40.164 1.00 54.89 C +ATOM 3563 O VAL B 209 39.021 24.942 40.361 1.00 55.02 O +ATOM 3564 CB VAL B 209 36.282 26.669 39.090 1.00 53.50 C +ATOM 3565 CG1 VAL B 209 36.478 25.611 38.039 1.00 54.72 C +ATOM 3566 CG2 VAL B 209 34.803 26.883 39.345 1.00 52.87 C +ATOM 3567 N LEU B 210 39.185 27.105 39.764 1.00 55.38 N +ATOM 3568 CA LEU B 210 40.618 27.064 39.523 1.00 56.67 C +ATOM 3569 C LEU B 210 41.371 26.565 40.756 1.00 57.87 C +ATOM 3570 O LEU B 210 42.357 25.826 40.633 1.00 59.29 O +ATOM 3571 CB LEU B 210 41.116 28.456 39.137 1.00 56.28 C +ATOM 3572 CG LEU B 210 40.857 28.830 37.680 1.00 56.10 C +ATOM 3573 CD1 LEU B 210 39.445 28.460 37.323 1.00 56.03 C +ATOM 3574 CD2 LEU B 210 41.107 30.316 37.458 1.00 56.93 C +ATOM 3575 N THR B 211 40.906 26.983 41.935 1.00 57.72 N +ATOM 3576 CA THR B 211 41.493 26.576 43.219 1.00 56.98 C +ATOM 3577 C THR B 211 40.344 26.090 44.101 1.00 57.75 C +ATOM 3578 O THR B 211 39.331 26.784 44.243 1.00 58.33 O +ATOM 3579 CB THR B 211 42.159 27.744 43.950 1.00 55.60 C +ATOM 3580 OG1 THR B 211 41.425 28.025 45.146 1.00 54.02 O +ATOM 3581 CG2 THR B 211 42.176 28.983 43.077 1.00 55.88 C +ATOM 3582 N GLY B 212 40.501 24.917 44.705 1.00 57.33 N +ATOM 3583 CA GLY B 212 39.438 24.369 45.534 1.00 57.15 C +ATOM 3584 C GLY B 212 38.768 25.265 46.569 1.00 57.03 C +ATOM 3585 O GLY B 212 37.755 24.869 47.158 1.00 55.97 O +ATOM 3586 N GLU B 213 39.299 26.472 46.776 1.00 57.47 N +ATOM 3587 CA GLU B 213 38.765 27.394 47.792 1.00 57.73 C +ATOM 3588 C GLU B 213 38.189 28.723 47.327 1.00 55.66 C +ATOM 3589 O GLU B 213 38.696 29.328 46.389 1.00 56.70 O +ATOM 3590 CB GLU B 213 39.859 27.746 48.806 1.00 59.78 C +ATOM 3591 CG GLU B 213 40.431 26.592 49.600 1.00 63.12 C +ATOM 3592 CD GLU B 213 40.314 26.831 51.098 1.00 65.71 C +ATOM 3593 OE1 GLU B 213 39.302 26.371 51.687 1.00 67.76 O +ATOM 3594 OE2 GLU B 213 41.220 27.489 51.678 1.00 66.18 O +ATOM 3595 N PRO B 214 37.118 29.197 47.986 1.00 53.33 N +ATOM 3596 CA PRO B 214 36.559 30.490 47.575 1.00 52.14 C +ATOM 3597 C PRO B 214 37.657 31.492 47.952 1.00 52.12 C +ATOM 3598 O PRO B 214 38.389 31.276 48.915 1.00 51.22 O +ATOM 3599 CB PRO B 214 35.312 30.619 48.437 1.00 51.94 C +ATOM 3600 CG PRO B 214 35.650 29.792 49.660 1.00 52.35 C +ATOM 3601 CD PRO B 214 36.328 28.591 49.069 1.00 51.85 C +ATOM 3602 N PRO B 215 37.777 32.604 47.216 1.00 51.87 N +ATOM 3603 CA PRO B 215 38.812 33.614 47.486 1.00 51.67 C +ATOM 3604 C PRO B 215 39.030 34.107 48.927 1.00 51.15 C +ATOM 3605 O PRO B 215 40.128 34.567 49.258 1.00 50.98 O +ATOM 3606 CB PRO B 215 38.451 34.744 46.518 1.00 51.20 C +ATOM 3607 CG PRO B 215 36.976 34.653 46.457 1.00 51.78 C +ATOM 3608 CD PRO B 215 36.728 33.159 46.345 1.00 52.18 C +ATOM 3609 N PHE B 216 38.005 34.010 49.774 1.00 50.85 N +ATOM 3610 CA PHE B 216 38.105 34.456 51.163 1.00 50.52 C +ATOM 3611 C PHE B 216 37.367 33.494 52.092 1.00 51.66 C +ATOM 3612 O PHE B 216 36.174 33.262 51.930 1.00 52.26 O +ATOM 3613 CB PHE B 216 37.499 35.862 51.338 1.00 49.97 C +ATOM 3614 CG PHE B 216 38.064 36.909 50.404 1.00 49.98 C +ATOM 3615 CD1 PHE B 216 39.433 37.182 50.369 1.00 49.46 C +ATOM 3616 CD2 PHE B 216 37.226 37.617 49.551 1.00 48.96 C +ATOM 3617 CE1 PHE B 216 39.958 38.142 49.492 1.00 47.93 C +ATOM 3618 CE2 PHE B 216 37.739 38.575 48.673 1.00 49.41 C +ATOM 3619 CZ PHE B 216 39.110 38.836 48.645 1.00 48.46 C +ATOM 3620 N THR B 217 38.079 32.908 53.049 1.00 53.51 N +ATOM 3621 CA THR B 217 37.451 32.010 54.016 1.00 54.23 C +ATOM 3622 C THR B 217 37.904 32.517 55.363 1.00 55.49 C +ATOM 3623 O THR B 217 39.024 33.023 55.511 1.00 56.04 O +ATOM 3624 CB THR B 217 37.898 30.515 53.903 1.00 54.02 C +ATOM 3625 OG1 THR B 217 37.650 30.021 52.588 1.00 55.97 O +ATOM 3626 CG2 THR B 217 37.102 29.644 54.871 1.00 53.46 C +ATOM 3627 N GLY B 218 37.016 32.388 56.336 1.00 56.22 N +ATOM 3628 CA GLY B 218 37.308 32.816 57.685 1.00 58.24 C +ATOM 3629 C GLY B 218 36.549 31.894 58.611 1.00 59.36 C +ATOM 3630 O GLY B 218 36.083 30.826 58.185 1.00 60.51 O +ATOM 3631 N ASP B 219 36.397 32.299 59.866 1.00 59.11 N +ATOM 3632 CA ASP B 219 35.696 31.459 60.818 1.00 59.37 C +ATOM 3633 C ASP B 219 34.413 32.112 61.313 1.00 58.24 C +ATOM 3634 O ASP B 219 33.844 31.700 62.324 1.00 58.36 O +ATOM 3635 CB ASP B 219 36.642 31.121 61.973 1.00 61.61 C +ATOM 3636 CG ASP B 219 38.001 30.606 61.473 1.00 64.15 C +ATOM 3637 OD1 ASP B 219 37.990 29.646 60.667 1.00 65.28 O +ATOM 3638 OD2 ASP B 219 39.067 31.154 61.868 1.00 64.46 O +ATOM 3639 N SER B 220 33.953 33.120 60.574 1.00 56.59 N +ATOM 3640 CA SER B 220 32.729 33.849 60.912 1.00 55.28 C +ATOM 3641 C SER B 220 32.321 34.691 59.714 1.00 54.52 C +ATOM 3642 O SER B 220 33.168 35.092 58.914 1.00 54.05 O +ATOM 3643 CB SER B 220 32.953 34.786 62.105 1.00 55.45 C +ATOM 3644 OG SER B 220 33.687 35.945 61.719 1.00 53.57 O +ATOM 3645 N PRO B 221 31.019 34.993 59.588 1.00 53.49 N +ATOM 3646 CA PRO B 221 30.551 35.799 58.462 1.00 53.13 C +ATOM 3647 C PRO B 221 31.303 37.131 58.348 1.00 52.84 C +ATOM 3648 O PRO B 221 31.782 37.489 57.273 1.00 52.73 O +ATOM 3649 CB PRO B 221 29.073 35.991 58.778 1.00 52.76 C +ATOM 3650 CG PRO B 221 29.072 36.064 60.260 1.00 52.60 C +ATOM 3651 CD PRO B 221 29.976 34.905 60.622 1.00 53.08 C +ATOM 3652 N VAL B 222 31.417 37.849 59.465 1.00 52.72 N +ATOM 3653 CA VAL B 222 32.092 39.150 59.495 1.00 51.77 C +ATOM 3654 C VAL B 222 33.554 39.113 59.073 1.00 51.62 C +ATOM 3655 O VAL B 222 34.050 40.056 58.473 1.00 50.82 O +ATOM 3656 CB VAL B 222 32.053 39.777 60.880 1.00 51.10 C +ATOM 3657 CG1 VAL B 222 32.077 41.276 60.734 1.00 50.82 C +ATOM 3658 CG2 VAL B 222 30.831 39.284 61.659 1.00 50.87 C +ATOM 3659 N SER B 223 34.254 38.040 59.412 1.00 51.81 N +ATOM 3660 CA SER B 223 35.644 37.934 59.021 1.00 52.34 C +ATOM 3661 C SER B 223 35.613 37.674 57.537 1.00 52.96 C +ATOM 3662 O SER B 223 36.608 37.863 56.844 1.00 55.28 O +ATOM 3663 CB SER B 223 36.325 36.770 59.725 1.00 52.64 C +ATOM 3664 OG SER B 223 35.713 35.552 59.360 1.00 54.69 O +ATOM 3665 N VAL B 224 34.459 37.232 57.051 1.00 52.84 N +ATOM 3666 CA VAL B 224 34.298 36.965 55.633 1.00 52.54 C +ATOM 3667 C VAL B 224 34.040 38.282 54.891 1.00 51.41 C +ATOM 3668 O VAL B 224 34.855 38.694 54.069 1.00 50.16 O +ATOM 3669 CB VAL B 224 33.159 35.915 55.395 1.00 54.14 C +ATOM 3670 CG1 VAL B 224 32.021 36.493 54.545 1.00 53.80 C +ATOM 3671 CG2 VAL B 224 33.750 34.679 54.724 1.00 54.51 C +ATOM 3672 N ALA B 225 32.934 38.953 55.200 1.00 50.58 N +ATOM 3673 CA ALA B 225 32.609 40.223 54.560 1.00 51.24 C +ATOM 3674 C ALA B 225 33.819 41.149 54.626 1.00 52.43 C +ATOM 3675 O ALA B 225 34.126 41.866 53.668 1.00 52.60 O +ATOM 3676 CB ALA B 225 31.428 40.867 55.252 1.00 50.11 C +ATOM 3677 N TYR B 226 34.498 41.129 55.770 1.00 53.26 N +ATOM 3678 CA TYR B 226 35.690 41.943 55.981 1.00 53.23 C +ATOM 3679 C TYR B 226 36.684 41.767 54.827 1.00 53.29 C +ATOM 3680 O TYR B 226 36.973 42.718 54.088 1.00 53.24 O +ATOM 3681 CB TYR B 226 36.373 41.556 57.303 1.00 54.07 C +ATOM 3682 CG TYR B 226 37.724 42.207 57.476 1.00 54.68 C +ATOM 3683 CD1 TYR B 226 37.829 43.568 57.767 1.00 54.74 C +ATOM 3684 CD2 TYR B 226 38.897 41.501 57.202 1.00 54.25 C +ATOM 3685 CE1 TYR B 226 39.063 44.210 57.763 1.00 54.00 C +ATOM 3686 CE2 TYR B 226 40.135 42.138 57.196 1.00 54.29 C +ATOM 3687 CZ TYR B 226 40.205 43.494 57.470 1.00 54.21 C +ATOM 3688 OH TYR B 226 41.410 44.145 57.391 1.00 55.78 O +ATOM 3689 N GLN B 227 37.206 40.552 54.677 1.00 52.07 N +ATOM 3690 CA GLN B 227 38.176 40.270 53.625 1.00 52.23 C +ATOM 3691 C GLN B 227 37.786 40.839 52.270 1.00 52.57 C +ATOM 3692 O GLN B 227 38.627 41.408 51.584 1.00 52.73 O +ATOM 3693 CB GLN B 227 38.404 38.761 53.497 1.00 51.45 C +ATOM 3694 CG GLN B 227 39.622 38.238 54.234 1.00 48.64 C +ATOM 3695 CD GLN B 227 39.496 36.772 54.586 1.00 48.29 C +ATOM 3696 OE1 GLN B 227 38.595 36.376 55.328 1.00 44.54 O +ATOM 3697 NE2 GLN B 227 40.402 35.953 54.056 1.00 50.77 N +ATOM 3698 N HIS B 228 36.516 40.677 51.893 1.00 53.40 N +ATOM 3699 CA HIS B 228 35.985 41.162 50.608 1.00 53.77 C +ATOM 3700 C HIS B 228 36.175 42.660 50.397 1.00 55.42 C +ATOM 3701 O HIS B 228 36.245 43.133 49.260 1.00 55.47 O +ATOM 3702 CB HIS B 228 34.480 40.877 50.494 1.00 52.22 C +ATOM 3703 CG HIS B 228 34.141 39.488 50.055 1.00 49.20 C +ATOM 3704 ND1 HIS B 228 34.508 38.985 48.827 1.00 47.62 N +ATOM 3705 CD2 HIS B 228 33.433 38.510 50.668 1.00 47.46 C +ATOM 3706 CE1 HIS B 228 34.038 37.758 48.702 1.00 47.00 C +ATOM 3707 NE2 HIS B 228 33.384 37.446 49.805 1.00 45.82 N +ATOM 3708 N VAL B 229 36.247 43.409 51.490 1.00 56.56 N +ATOM 3709 CA VAL B 229 36.394 44.846 51.379 1.00 58.35 C +ATOM 3710 C VAL B 229 37.799 45.401 51.488 1.00 59.63 C +ATOM 3711 O VAL B 229 38.125 46.379 50.805 1.00 60.11 O +ATOM 3712 CB VAL B 229 35.572 45.561 52.428 1.00 58.93 C +ATOM 3713 CG1 VAL B 229 35.326 46.997 51.973 1.00 59.15 C +ATOM 3714 CG2 VAL B 229 34.276 44.797 52.681 1.00 59.52 C +ATOM 3715 N ARG B 230 38.633 44.797 52.334 1.00 60.24 N +ATOM 3716 CA ARG B 230 39.982 45.319 52.515 1.00 61.09 C +ATOM 3717 C ARG B 230 41.138 44.342 52.399 1.00 61.36 C +ATOM 3718 O ARG B 230 42.250 44.629 52.848 1.00 61.39 O +ATOM 3719 CB ARG B 230 40.055 46.035 53.858 1.00 62.24 C +ATOM 3720 CG ARG B 230 39.088 47.177 53.955 1.00 63.73 C +ATOM 3721 CD ARG B 230 39.006 47.695 55.362 1.00 66.85 C +ATOM 3722 NE ARG B 230 37.885 48.619 55.497 1.00 69.13 N +ATOM 3723 CZ ARG B 230 37.525 49.194 56.637 1.00 69.52 C +ATOM 3724 NH1 ARG B 230 38.202 48.941 57.749 1.00 70.09 N +ATOM 3725 NH2 ARG B 230 36.489 50.020 56.660 1.00 69.87 N +ATOM 3726 N GLU B 231 40.879 43.185 51.809 1.00 62.38 N +ATOM 3727 CA GLU B 231 41.919 42.179 51.618 1.00 62.92 C +ATOM 3728 C GLU B 231 41.905 41.797 50.153 1.00 62.90 C +ATOM 3729 O GLU B 231 40.865 41.431 49.610 1.00 62.38 O +ATOM 3730 CB GLU B 231 41.650 40.942 52.481 1.00 64.22 C +ATOM 3731 CG GLU B 231 41.811 41.175 53.982 1.00 65.23 C +ATOM 3732 CD GLU B 231 43.256 41.183 54.411 1.00 64.90 C +ATOM 3733 OE1 GLU B 231 43.536 41.505 55.580 1.00 65.50 O +ATOM 3734 OE2 GLU B 231 44.113 40.855 53.576 1.00 65.04 O +ATOM 3735 N ASP B 232 43.054 41.910 49.503 1.00 64.01 N +ATOM 3736 CA ASP B 232 43.130 41.554 48.101 1.00 65.19 C +ATOM 3737 C ASP B 232 43.264 40.045 47.971 1.00 65.32 C +ATOM 3738 O ASP B 232 44.122 39.426 48.597 1.00 64.66 O +ATOM 3739 CB ASP B 232 44.280 42.309 47.413 1.00 65.82 C +ATOM 3740 CG ASP B 232 43.904 43.770 47.102 1.00 67.83 C +ATOM 3741 OD1 ASP B 232 44.567 44.421 46.256 1.00 67.11 O +ATOM 3742 OD2 ASP B 232 42.926 44.272 47.713 1.00 69.75 O +ATOM 3743 N PRO B 233 42.379 39.434 47.164 1.00 65.92 N +ATOM 3744 CA PRO B 233 42.337 37.989 46.911 1.00 66.26 C +ATOM 3745 C PRO B 233 43.670 37.352 46.479 1.00 66.41 C +ATOM 3746 O PRO B 233 44.295 37.774 45.492 1.00 66.54 O +ATOM 3747 CB PRO B 233 41.251 37.862 45.834 1.00 66.21 C +ATOM 3748 CG PRO B 233 41.345 39.179 45.092 1.00 65.48 C +ATOM 3749 CD PRO B 233 41.472 40.149 46.241 1.00 65.59 C +ATOM 3750 N ILE B 234 44.094 36.334 47.225 1.00 65.59 N +ATOM 3751 CA ILE B 234 45.326 35.632 46.911 1.00 65.54 C +ATOM 3752 C ILE B 234 45.267 35.216 45.452 1.00 65.16 C +ATOM 3753 O ILE B 234 44.504 34.319 45.088 1.00 64.19 O +ATOM 3754 CB ILE B 234 45.492 34.371 47.778 1.00 66.39 C +ATOM 3755 CG1 ILE B 234 45.804 34.768 49.227 1.00 67.59 C +ATOM 3756 CG2 ILE B 234 46.602 33.498 47.224 1.00 66.23 C +ATOM 3757 CD1 ILE B 234 47.083 35.620 49.390 1.00 67.03 C +ATOM 3758 N PRO B 235 46.074 35.869 44.595 1.00 65.22 N +ATOM 3759 CA PRO B 235 46.104 35.559 43.162 1.00 65.47 C +ATOM 3760 C PRO B 235 46.100 34.050 42.910 1.00 65.33 C +ATOM 3761 O PRO B 235 46.778 33.307 43.615 1.00 65.06 O +ATOM 3762 CB PRO B 235 47.396 36.228 42.702 1.00 64.95 C +ATOM 3763 CG PRO B 235 47.465 37.444 43.597 1.00 64.63 C +ATOM 3764 CD PRO B 235 47.116 36.858 44.940 1.00 64.06 C +ATOM 3765 N PRO B 236 45.318 33.578 41.919 1.00 65.36 N +ATOM 3766 CA PRO B 236 45.254 32.147 41.604 1.00 66.43 C +ATOM 3767 C PRO B 236 46.654 31.615 41.374 1.00 67.37 C +ATOM 3768 O PRO B 236 47.618 32.378 41.435 1.00 67.03 O +ATOM 3769 CB PRO B 236 44.389 32.108 40.354 1.00 65.73 C +ATOM 3770 CG PRO B 236 43.446 33.226 40.611 1.00 65.69 C +ATOM 3771 CD PRO B 236 44.371 34.325 41.079 1.00 65.24 C +ATOM 3772 N SER B 237 46.769 30.324 41.076 1.00 69.31 N +ATOM 3773 CA SER B 237 48.089 29.703 40.935 1.00 71.59 C +ATOM 3774 C SER B 237 48.601 30.043 42.336 1.00 73.69 C +ATOM 3775 O SER B 237 49.803 30.129 42.617 1.00 73.18 O +ATOM 3776 CB SER B 237 48.934 30.370 39.819 1.00 69.84 C +ATOM 3777 OG SER B 237 49.273 31.723 40.083 1.00 66.39 O +ATOM 3778 N ALA B 238 47.610 30.244 43.205 1.00 75.97 N +ATOM 3779 CA ALA B 238 47.798 30.620 44.596 1.00 78.01 C +ATOM 3780 C ALA B 238 48.206 29.405 45.380 1.00 78.61 C +ATOM 3781 O ALA B 238 49.384 29.111 45.517 1.00 77.87 O +ATOM 3782 CB ALA B 238 46.489 31.177 45.151 1.00 78.62 C +ATOM 3783 N ARG B 239 47.206 28.720 45.918 1.00 80.61 N +ATOM 3784 CA ARG B 239 47.449 27.504 46.672 1.00 82.73 C +ATOM 3785 C ARG B 239 47.081 26.380 45.706 1.00 82.48 C +ATOM 3786 O ARG B 239 46.567 25.311 46.087 1.00 82.98 O +ATOM 3787 CB ARG B 239 46.631 27.481 47.988 1.00 83.75 C +ATOM 3788 CG ARG B 239 47.277 28.381 49.084 1.00 85.31 C +ATOM 3789 CD ARG B 239 46.479 28.454 50.390 1.00 87.44 C +ATOM 3790 NE ARG B 239 46.269 27.133 50.981 1.00 89.71 N +ATOM 3791 CZ ARG B 239 47.240 26.361 51.473 1.00 90.59 C +ATOM 3792 NH1 ARG B 239 48.512 26.775 51.459 1.00 91.16 N +ATOM 3793 NH2 ARG B 239 46.944 25.157 51.961 1.00 90.98 N +ATOM 3794 N HIS B 240 47.340 26.662 44.430 1.00 80.62 N +ATOM 3795 CA HIS B 240 47.118 25.681 43.393 1.00 79.34 C +ATOM 3796 C HIS B 240 48.227 25.785 42.351 1.00 79.12 C +ATOM 3797 O HIS B 240 48.686 26.887 42.022 1.00 79.07 O +ATOM 3798 CB HIS B 240 45.769 25.865 42.731 1.00 78.46 C +ATOM 3799 CG HIS B 240 45.320 24.648 41.995 1.00 78.22 C +ATOM 3800 ND1 HIS B 240 45.001 23.472 42.642 1.00 76.96 N +ATOM 3801 CD2 HIS B 240 45.216 24.393 40.669 1.00 78.36 C +ATOM 3802 CE1 HIS B 240 44.720 22.544 41.746 1.00 78.07 C +ATOM 3803 NE2 HIS B 240 44.844 23.076 40.541 1.00 79.14 N +ATOM 3804 N GLU B 241 48.670 24.638 41.843 1.00 78.57 N +ATOM 3805 CA GLU B 241 49.740 24.632 40.851 1.00 78.28 C +ATOM 3806 C GLU B 241 49.218 24.637 39.423 1.00 77.00 C +ATOM 3807 O GLU B 241 48.101 24.183 39.147 1.00 76.83 O +ATOM 3808 CB GLU B 241 50.662 23.414 41.050 1.00 79.16 C +ATOM 3809 CG GLU B 241 52.091 23.771 41.472 1.00 80.57 C +ATOM 3810 CD GLU B 241 52.981 22.543 41.725 1.00 81.73 C +ATOM 3811 OE1 GLU B 241 53.269 21.787 40.757 1.00 82.81 O +ATOM 3812 OE2 GLU B 241 53.397 22.335 42.894 1.00 81.10 O +ATOM 3813 N GLY B 242 50.047 25.171 38.530 1.00 74.99 N +ATOM 3814 CA GLY B 242 49.721 25.214 37.121 1.00 73.03 C +ATOM 3815 C GLY B 242 48.528 26.051 36.724 1.00 71.62 C +ATOM 3816 O GLY B 242 47.525 25.520 36.236 1.00 71.05 O +ATOM 3817 N LEU B 243 48.637 27.361 36.911 1.00 70.79 N +ATOM 3818 CA LEU B 243 47.552 28.258 36.539 1.00 70.28 C +ATOM 3819 C LEU B 243 48.059 29.502 35.808 1.00 69.79 C +ATOM 3820 O LEU B 243 48.498 30.481 36.431 1.00 70.27 O +ATOM 3821 CB LEU B 243 46.747 28.648 37.785 1.00 70.39 C +ATOM 3822 CG LEU B 243 45.941 27.494 38.405 1.00 70.89 C +ATOM 3823 CD1 LEU B 243 45.340 27.921 39.743 1.00 70.81 C +ATOM 3824 CD2 LEU B 243 44.844 27.047 37.431 1.00 70.53 C +ATOM 3825 N SER B 244 47.999 29.453 34.480 1.00 68.68 N +ATOM 3826 CA SER B 244 48.445 30.568 33.650 1.00 68.52 C +ATOM 3827 C SER B 244 48.258 31.963 34.273 1.00 67.85 C +ATOM 3828 O SER B 244 47.141 32.395 34.554 1.00 67.99 O +ATOM 3829 CB SER B 244 47.746 30.506 32.278 1.00 69.44 C +ATOM 3830 OG SER B 244 46.421 30.002 32.369 1.00 70.42 O +ATOM 3831 N ALA B 245 49.359 32.666 34.491 1.00 67.25 N +ATOM 3832 CA ALA B 245 49.274 34.001 35.065 1.00 68.17 C +ATOM 3833 C ALA B 245 48.265 34.916 34.344 1.00 68.93 C +ATOM 3834 O ALA B 245 47.649 35.775 34.985 1.00 68.73 O +ATOM 3835 CB ALA B 245 50.644 34.647 35.075 1.00 67.86 C +ATOM 3836 N ASP B 246 48.104 34.756 33.026 1.00 69.72 N +ATOM 3837 CA ASP B 246 47.134 35.578 32.268 1.00 70.36 C +ATOM 3838 C ASP B 246 45.731 35.311 32.819 1.00 70.04 C +ATOM 3839 O ASP B 246 44.890 36.215 32.908 1.00 69.62 O +ATOM 3840 CB ASP B 246 47.131 35.224 30.770 1.00 71.11 C +ATOM 3841 CG ASP B 246 48.155 36.005 29.968 1.00 71.59 C +ATOM 3842 OD1 ASP B 246 48.172 35.832 28.727 1.00 72.02 O +ATOM 3843 OD2 ASP B 246 48.938 36.781 30.567 1.00 72.89 O +ATOM 3844 N LEU B 247 45.488 34.047 33.162 1.00 69.24 N +ATOM 3845 CA LEU B 247 44.217 33.627 33.731 1.00 68.88 C +ATOM 3846 C LEU B 247 43.995 34.341 35.082 1.00 68.81 C +ATOM 3847 O LEU B 247 42.883 34.375 35.608 1.00 67.85 O +ATOM 3848 CB LEU B 247 44.231 32.102 33.919 1.00 68.67 C +ATOM 3849 CG LEU B 247 43.114 31.441 34.738 1.00 69.32 C +ATOM 3850 CD1 LEU B 247 41.760 31.867 34.201 1.00 69.46 C +ATOM 3851 CD2 LEU B 247 43.256 29.926 34.692 1.00 68.12 C +ATOM 3852 N ASP B 248 45.062 34.916 35.637 1.00 68.96 N +ATOM 3853 CA ASP B 248 44.979 35.614 36.919 1.00 68.05 C +ATOM 3854 C ASP B 248 44.482 37.020 36.761 1.00 66.50 C +ATOM 3855 O ASP B 248 43.635 37.468 37.526 1.00 67.44 O +ATOM 3856 CB ASP B 248 46.337 35.658 37.600 1.00 69.31 C +ATOM 3857 CG ASP B 248 46.770 34.305 38.098 1.00 71.89 C +ATOM 3858 OD1 ASP B 248 46.573 33.312 37.346 1.00 72.27 O +ATOM 3859 OD2 ASP B 248 47.313 34.242 39.233 1.00 73.62 O +ATOM 3860 N ALA B 249 45.028 37.729 35.781 1.00 64.41 N +ATOM 3861 CA ALA B 249 44.605 39.100 35.543 1.00 62.13 C +ATOM 3862 C ALA B 249 43.093 39.059 35.353 1.00 60.52 C +ATOM 3863 O ALA B 249 42.391 40.023 35.655 1.00 59.76 O +ATOM 3864 CB ALA B 249 45.302 39.667 34.296 1.00 61.91 C +ATOM 3865 N VAL B 250 42.601 37.921 34.872 1.00 58.49 N +ATOM 3866 CA VAL B 250 41.175 37.754 34.648 1.00 57.05 C +ATOM 3867 C VAL B 250 40.462 37.600 35.982 1.00 55.21 C +ATOM 3868 O VAL B 250 39.664 38.456 36.358 1.00 55.83 O +ATOM 3869 CB VAL B 250 40.881 36.522 33.763 1.00 58.49 C +ATOM 3870 CG1 VAL B 250 39.381 36.405 33.504 1.00 57.08 C +ATOM 3871 CG2 VAL B 250 41.643 36.643 32.444 1.00 58.92 C +ATOM 3872 N VAL B 251 40.753 36.520 36.699 1.00 51.84 N +ATOM 3873 CA VAL B 251 40.130 36.280 37.992 1.00 49.33 C +ATOM 3874 C VAL B 251 40.279 37.475 38.942 1.00 48.95 C +ATOM 3875 O VAL B 251 39.374 37.772 39.725 1.00 48.96 O +ATOM 3876 CB VAL B 251 40.740 35.050 38.670 1.00 48.12 C +ATOM 3877 CG1 VAL B 251 40.075 34.803 40.012 1.00 48.52 C +ATOM 3878 CG2 VAL B 251 40.589 33.851 37.775 1.00 48.54 C +ATOM 3879 N LEU B 252 41.416 38.161 38.864 1.00 47.87 N +ATOM 3880 CA LEU B 252 41.693 39.297 39.732 1.00 47.56 C +ATOM 3881 C LEU B 252 41.096 40.623 39.285 1.00 47.24 C +ATOM 3882 O LEU B 252 41.102 41.595 40.037 1.00 47.57 O +ATOM 3883 CB LEU B 252 43.202 39.429 39.937 1.00 47.48 C +ATOM 3884 CG LEU B 252 43.754 38.998 41.309 1.00 47.83 C +ATOM 3885 CD1 LEU B 252 42.838 37.977 41.977 1.00 46.93 C +ATOM 3886 CD2 LEU B 252 45.168 38.435 41.134 1.00 47.30 C +ATOM 3887 N LYS B 253 40.598 40.679 38.058 1.00 46.85 N +ATOM 3888 CA LYS B 253 39.944 41.895 37.592 1.00 46.77 C +ATOM 3889 C LYS B 253 38.489 41.729 38.007 1.00 47.86 C +ATOM 3890 O LYS B 253 37.875 42.633 38.573 1.00 48.73 O +ATOM 3891 CB LYS B 253 40.011 42.041 36.074 1.00 44.97 C +ATOM 3892 CG LYS B 253 39.152 43.189 35.598 1.00 43.96 C +ATOM 3893 CD LYS B 253 39.367 43.579 34.140 1.00 45.46 C +ATOM 3894 CE LYS B 253 38.536 44.828 33.813 1.00 43.90 C +ATOM 3895 NZ LYS B 253 38.781 45.341 32.452 1.00 42.97 N +ATOM 3896 N ALA B 254 37.954 40.543 37.731 1.00 48.49 N +ATOM 3897 CA ALA B 254 36.576 40.213 38.062 1.00 48.22 C +ATOM 3898 C ALA B 254 36.325 40.420 39.540 1.00 47.90 C +ATOM 3899 O ALA B 254 35.182 40.590 39.948 1.00 49.29 O +ATOM 3900 CB ALA B 254 36.276 38.770 37.683 1.00 48.23 C +ATOM 3901 N LEU B 255 37.399 40.421 40.327 1.00 47.40 N +ATOM 3902 CA LEU B 255 37.323 40.584 41.778 1.00 46.63 C +ATOM 3903 C LEU B 255 37.783 41.945 42.289 1.00 46.87 C +ATOM 3904 O LEU B 255 37.938 42.133 43.498 1.00 47.83 O +ATOM 3905 CB LEU B 255 38.161 39.503 42.458 1.00 46.47 C +ATOM 3906 CG LEU B 255 37.676 38.081 42.215 1.00 46.57 C +ATOM 3907 CD1 LEU B 255 38.666 37.076 42.752 1.00 44.74 C +ATOM 3908 CD2 LEU B 255 36.321 37.929 42.869 1.00 45.97 C +ATOM 3909 N ALA B 256 38.019 42.887 41.383 1.00 45.72 N +ATOM 3910 CA ALA B 256 38.452 44.211 41.789 1.00 45.89 C +ATOM 3911 C ALA B 256 37.495 44.739 42.865 1.00 47.08 C +ATOM 3912 O ALA B 256 36.324 44.363 42.892 1.00 46.91 O +ATOM 3913 CB ALA B 256 38.471 45.133 40.583 1.00 44.33 C +ATOM 3914 N LYS B 257 37.992 45.601 43.752 1.00 47.85 N +ATOM 3915 CA LYS B 257 37.173 46.157 44.831 1.00 49.01 C +ATOM 3916 C LYS B 257 36.132 47.152 44.351 1.00 50.74 C +ATOM 3917 O LYS B 257 34.995 47.156 44.828 1.00 50.64 O +ATOM 3918 CB LYS B 257 38.052 46.840 45.873 1.00 47.40 C +ATOM 3919 CG LYS B 257 39.064 45.919 46.519 1.00 47.23 C +ATOM 3920 CD LYS B 257 38.396 44.752 47.221 1.00 45.33 C +ATOM 3921 CE LYS B 257 39.423 43.813 47.815 1.00 44.08 C +ATOM 3922 NZ LYS B 257 38.756 42.652 48.452 1.00 43.84 N +ATOM 3923 N ASN B 258 36.525 48.009 43.419 1.00 52.92 N +ATOM 3924 CA ASN B 258 35.602 48.998 42.891 1.00 55.39 C +ATOM 3925 C ASN B 258 35.098 48.596 41.523 1.00 55.83 C +ATOM 3926 O ASN B 258 35.874 48.309 40.624 1.00 55.93 O +ATOM 3927 CB ASN B 258 36.259 50.370 42.786 1.00 57.17 C +ATOM 3928 CG ASN B 258 35.296 51.427 42.268 1.00 59.85 C +ATOM 3929 OD1 ASN B 258 34.299 51.761 42.925 1.00 59.94 O +ATOM 3930 ND2 ASN B 258 35.578 51.949 41.077 1.00 61.73 N +ATOM 3931 N PRO B 259 33.776 48.577 41.349 1.00 56.95 N +ATOM 3932 CA PRO B 259 33.190 48.203 40.066 1.00 57.94 C +ATOM 3933 C PRO B 259 33.875 48.810 38.837 1.00 59.24 C +ATOM 3934 O PRO B 259 34.265 48.072 37.929 1.00 60.13 O +ATOM 3935 CB PRO B 259 31.744 48.635 40.230 1.00 57.89 C +ATOM 3936 CG PRO B 259 31.483 48.275 41.666 1.00 56.92 C +ATOM 3937 CD PRO B 259 32.726 48.797 42.362 1.00 56.49 C +ATOM 3938 N GLU B 260 34.037 50.131 38.798 1.00 59.33 N +ATOM 3939 CA GLU B 260 34.683 50.762 37.642 1.00 59.99 C +ATOM 3940 C GLU B 260 35.913 49.999 37.189 1.00 59.18 C +ATOM 3941 O GLU B 260 36.178 49.872 35.992 1.00 59.26 O +ATOM 3942 CB GLU B 260 35.100 52.204 37.949 1.00 62.08 C +ATOM 3943 CG GLU B 260 34.091 53.250 37.492 1.00 64.80 C +ATOM 3944 CD GLU B 260 32.798 53.195 38.291 1.00 66.74 C +ATOM 3945 OE1 GLU B 260 31.763 53.710 37.794 1.00 66.26 O +ATOM 3946 OE2 GLU B 260 32.824 52.643 39.422 1.00 68.29 O +ATOM 3947 N ASN B 261 36.657 49.482 38.155 1.00 58.26 N +ATOM 3948 CA ASN B 261 37.873 48.747 37.855 1.00 58.26 C +ATOM 3949 C ASN B 261 37.644 47.255 37.559 1.00 57.43 C +ATOM 3950 O ASN B 261 38.600 46.512 37.311 1.00 58.24 O +ATOM 3951 CB ASN B 261 38.882 48.944 39.002 1.00 59.09 C +ATOM 3952 CG ASN B 261 39.052 50.423 39.390 1.00 60.07 C +ATOM 3953 OD1 ASN B 261 39.404 51.266 38.555 1.00 59.95 O +ATOM 3954 ND2 ASN B 261 38.795 50.737 40.663 1.00 59.81 N +ATOM 3955 N ARG B 262 36.386 46.815 37.576 1.00 56.24 N +ATOM 3956 CA ARG B 262 36.066 45.418 37.268 1.00 54.87 C +ATOM 3957 C ARG B 262 35.568 45.349 35.830 1.00 54.23 C +ATOM 3958 O ARG B 262 35.446 46.378 35.151 1.00 53.96 O +ATOM 3959 CB ARG B 262 34.939 44.885 38.149 1.00 54.06 C +ATOM 3960 CG ARG B 262 35.072 45.128 39.625 1.00 54.53 C +ATOM 3961 CD ARG B 262 33.844 44.574 40.340 1.00 52.67 C +ATOM 3962 NE ARG B 262 33.784 44.964 41.743 1.00 50.02 N +ATOM 3963 CZ ARG B 262 32.684 44.903 42.484 1.00 49.00 C +ATOM 3964 NH1 ARG B 262 31.549 44.466 41.962 1.00 48.00 N +ATOM 3965 NH2 ARG B 262 32.713 45.295 43.746 1.00 50.03 N +ATOM 3966 N TYR B 263 35.278 44.134 35.368 1.00 53.17 N +ATOM 3967 CA TYR B 263 34.734 43.961 34.028 1.00 51.25 C +ATOM 3968 C TYR B 263 33.380 44.628 34.192 1.00 50.65 C +ATOM 3969 O TYR B 263 32.641 44.307 35.116 1.00 49.87 O +ATOM 3970 CB TYR B 263 34.547 42.483 33.676 1.00 49.34 C +ATOM 3971 CG TYR B 263 35.826 41.700 33.470 1.00 48.47 C +ATOM 3972 CD1 TYR B 263 36.745 42.056 32.479 1.00 47.10 C +ATOM 3973 CD2 TYR B 263 36.110 40.586 34.256 1.00 48.72 C +ATOM 3974 CE1 TYR B 263 37.923 41.316 32.276 1.00 46.80 C +ATOM 3975 CE2 TYR B 263 37.280 39.839 34.064 1.00 49.76 C +ATOM 3976 CZ TYR B 263 38.183 40.208 33.073 1.00 48.72 C +ATOM 3977 OH TYR B 263 39.329 39.460 32.904 1.00 47.13 O +ATOM 3978 N GLN B 264 33.078 45.578 33.315 1.00 49.94 N +ATOM 3979 CA GLN B 264 31.830 46.320 33.370 1.00 48.43 C +ATOM 3980 C GLN B 264 30.603 45.506 32.952 1.00 48.04 C +ATOM 3981 O GLN B 264 29.468 45.938 33.159 1.00 47.97 O +ATOM 3982 CB GLN B 264 31.960 47.561 32.495 1.00 47.83 C +ATOM 3983 CG GLN B 264 31.850 48.882 33.239 1.00 49.52 C +ATOM 3984 CD GLN B 264 32.746 48.961 34.450 1.00 50.94 C +ATOM 3985 OE1 GLN B 264 32.360 48.560 35.536 1.00 51.87 O +ATOM 3986 NE2 GLN B 264 33.955 49.477 34.266 1.00 52.01 N +ATOM 3987 N THR B 265 30.828 44.326 32.379 1.00 47.91 N +ATOM 3988 CA THR B 265 29.736 43.466 31.918 1.00 47.79 C +ATOM 3989 C THR B 265 30.125 42.013 32.089 1.00 47.63 C +ATOM 3990 O THR B 265 31.265 41.728 32.409 1.00 48.51 O +ATOM 3991 CB THR B 265 29.419 43.710 30.416 1.00 48.64 C +ATOM 3992 OG1 THR B 265 30.533 43.301 29.607 1.00 48.71 O +ATOM 3993 CG2 THR B 265 29.130 45.196 30.160 1.00 48.74 C +ATOM 3994 N ALA B 266 29.187 41.092 31.895 1.00 48.12 N +ATOM 3995 CA ALA B 266 29.518 39.671 32.017 1.00 49.03 C +ATOM 3996 C ALA B 266 30.034 39.226 30.660 1.00 49.69 C +ATOM 3997 O ALA B 266 30.754 38.232 30.547 1.00 49.41 O +ATOM 3998 CB ALA B 266 28.293 38.853 32.405 1.00 50.10 C +ATOM 3999 N ALA B 267 29.643 39.984 29.636 1.00 50.21 N +ATOM 4000 CA ALA B 267 30.054 39.744 28.261 1.00 50.72 C +ATOM 4001 C ALA B 267 31.531 40.121 28.129 1.00 51.40 C +ATOM 4002 O ALA B 267 32.317 39.384 27.523 1.00 51.50 O +ATOM 4003 CB ALA B 267 29.215 40.584 27.322 1.00 48.92 C +ATOM 4004 N GLU B 268 31.887 41.277 28.696 1.00 52.20 N +ATOM 4005 CA GLU B 268 33.259 41.785 28.696 1.00 51.75 C +ATOM 4006 C GLU B 268 34.143 40.738 29.377 1.00 50.95 C +ATOM 4007 O GLU B 268 35.193 40.363 28.865 1.00 49.74 O +ATOM 4008 CB GLU B 268 33.320 43.102 29.476 1.00 52.49 C +ATOM 4009 CG GLU B 268 34.657 43.834 29.408 1.00 56.18 C +ATOM 4010 CD GLU B 268 34.767 45.028 30.374 1.00 57.68 C +ATOM 4011 OE1 GLU B 268 33.854 45.890 30.411 1.00 57.91 O +ATOM 4012 OE2 GLU B 268 35.787 45.112 31.094 1.00 58.99 O +ATOM 4013 N MET B 269 33.693 40.261 30.534 1.00 50.45 N +ATOM 4014 CA MET B 269 34.423 39.258 31.296 1.00 50.14 C +ATOM 4015 C MET B 269 34.667 38.041 30.418 1.00 50.71 C +ATOM 4016 O MET B 269 35.785 37.549 30.316 1.00 51.25 O +ATOM 4017 CB MET B 269 33.626 38.839 32.551 1.00 48.16 C +ATOM 4018 CG MET B 269 34.371 37.877 33.505 1.00 46.44 C +ATOM 4019 SD MET B 269 33.486 37.402 35.024 1.00 43.73 S +ATOM 4020 CE MET B 269 34.472 36.081 35.581 1.00 43.20 C +ATOM 4021 N ARG B 270 33.613 37.563 29.772 1.00 51.33 N +ATOM 4022 CA ARG B 270 33.724 36.387 28.926 1.00 51.63 C +ATOM 4023 C ARG B 270 34.885 36.523 27.944 1.00 51.78 C +ATOM 4024 O ARG B 270 35.858 35.768 28.019 1.00 51.49 O +ATOM 4025 CB ARG B 270 32.423 36.168 28.179 1.00 50.95 C +ATOM 4026 CG ARG B 270 32.187 34.743 27.760 1.00 51.57 C +ATOM 4027 CD ARG B 270 31.333 34.767 26.521 1.00 53.30 C +ATOM 4028 NE ARG B 270 31.075 33.454 25.952 1.00 54.25 N +ATOM 4029 CZ ARG B 270 30.645 33.272 24.706 1.00 56.10 C +ATOM 4030 NH1 ARG B 270 30.437 34.323 23.918 1.00 55.17 N +ATOM 4031 NH2 ARG B 270 30.417 32.041 24.248 1.00 56.94 N +ATOM 4032 N ALA B 271 34.790 37.490 27.035 1.00 51.72 N +ATOM 4033 CA ALA B 271 35.845 37.724 26.049 1.00 52.56 C +ATOM 4034 C ALA B 271 37.254 37.432 26.595 1.00 52.82 C +ATOM 4035 O ALA B 271 38.016 36.670 25.993 1.00 52.28 O +ATOM 4036 CB ALA B 271 35.770 39.157 25.545 1.00 51.34 C +ATOM 4037 N ASP B 272 37.592 38.039 27.730 1.00 53.12 N +ATOM 4038 CA ASP B 272 38.898 37.845 28.354 1.00 54.41 C +ATOM 4039 C ASP B 272 39.181 36.379 28.602 1.00 54.92 C +ATOM 4040 O ASP B 272 40.316 35.913 28.438 1.00 55.66 O +ATOM 4041 CB ASP B 272 38.973 38.593 29.685 1.00 56.21 C +ATOM 4042 CG ASP B 272 39.871 39.813 29.616 1.00 57.28 C +ATOM 4043 OD1 ASP B 272 40.162 40.264 28.485 1.00 59.23 O +ATOM 4044 OD2 ASP B 272 40.273 40.326 30.684 1.00 57.12 O +ATOM 4045 N LEU B 273 38.147 35.656 29.016 1.00 54.76 N +ATOM 4046 CA LEU B 273 38.274 34.231 29.286 1.00 55.29 C +ATOM 4047 C LEU B 273 38.634 33.450 28.017 1.00 55.80 C +ATOM 4048 O LEU B 273 39.429 32.511 28.066 1.00 55.67 O +ATOM 4049 CB LEU B 273 36.969 33.710 29.877 1.00 54.46 C +ATOM 4050 CG LEU B 273 36.706 34.141 31.314 1.00 53.53 C +ATOM 4051 CD1 LEU B 273 35.215 34.298 31.527 1.00 54.08 C +ATOM 4052 CD2 LEU B 273 37.312 33.123 32.272 1.00 51.91 C +ATOM 4053 N VAL B 274 38.044 33.844 26.889 1.00 56.11 N +ATOM 4054 CA VAL B 274 38.319 33.196 25.612 1.00 57.05 C +ATOM 4055 C VAL B 274 39.760 33.480 25.214 1.00 57.72 C +ATOM 4056 O VAL B 274 40.452 32.626 24.683 1.00 57.05 O +ATOM 4057 CB VAL B 274 37.403 33.722 24.492 1.00 57.30 C +ATOM 4058 CG1 VAL B 274 37.613 32.889 23.222 1.00 55.80 C +ATOM 4059 CG2 VAL B 274 35.945 33.688 24.943 1.00 55.78 C +ATOM 4060 N ARG B 275 40.215 34.695 25.466 1.00 59.26 N +ATOM 4061 CA ARG B 275 41.586 35.022 25.128 1.00 62.28 C +ATOM 4062 C ARG B 275 42.523 34.161 25.988 1.00 62.83 C +ATOM 4063 O ARG B 275 43.373 33.447 25.442 1.00 63.98 O +ATOM 4064 CB ARG B 275 41.826 36.530 25.304 1.00 63.33 C +ATOM 4065 CG ARG B 275 40.804 37.338 24.503 1.00 66.22 C +ATOM 4066 CD ARG B 275 40.988 38.836 24.561 1.00 67.72 C +ATOM 4067 NE ARG B 275 39.704 39.520 24.387 1.00 70.83 N +ATOM 4068 CZ ARG B 275 39.561 40.839 24.240 1.00 73.17 C +ATOM 4069 NH1 ARG B 275 40.638 41.624 24.230 1.00 74.10 N +ATOM 4070 NH2 ARG B 275 38.344 41.385 24.135 1.00 72.89 N +ATOM 4071 N VAL B 276 42.378 34.190 27.311 1.00 61.89 N +ATOM 4072 CA VAL B 276 43.243 33.338 28.118 1.00 62.65 C +ATOM 4073 C VAL B 276 43.042 31.884 27.663 1.00 63.73 C +ATOM 4074 O VAL B 276 43.956 31.054 27.742 1.00 63.73 O +ATOM 4075 CB VAL B 276 42.936 33.471 29.622 1.00 62.53 C +ATOM 4076 CG1 VAL B 276 43.281 32.174 30.354 1.00 61.98 C +ATOM 4077 CG2 VAL B 276 43.758 34.618 30.209 1.00 62.15 C +ATOM 4078 N HIS B 277 41.842 31.590 27.169 1.00 64.84 N +ATOM 4079 CA HIS B 277 41.506 30.254 26.674 1.00 65.85 C +ATOM 4080 C HIS B 277 42.426 29.955 25.495 1.00 67.03 C +ATOM 4081 O HIS B 277 43.407 29.236 25.642 1.00 67.37 O +ATOM 4082 CB HIS B 277 40.041 30.222 26.224 1.00 64.99 C +ATOM 4083 CG HIS B 277 39.565 28.879 25.772 1.00 63.60 C +ATOM 4084 ND1 HIS B 277 39.654 27.752 26.561 1.00 64.23 N +ATOM 4085 CD2 HIS B 277 38.920 28.497 24.645 1.00 63.71 C +ATOM 4086 CE1 HIS B 277 39.081 26.734 25.943 1.00 63.86 C +ATOM 4087 NE2 HIS B 277 38.625 27.159 24.779 1.00 63.95 N +ATOM 4088 N ASN B 278 42.104 30.521 24.331 1.00 68.37 N +ATOM 4089 CA ASN B 278 42.912 30.341 23.126 1.00 68.82 C +ATOM 4090 C ASN B 278 44.359 30.596 23.516 1.00 68.82 C +ATOM 4091 O ASN B 278 45.117 29.656 23.717 1.00 69.12 O +ATOM 4092 CB ASN B 278 42.510 31.340 22.023 1.00 69.74 C +ATOM 4093 CG ASN B 278 41.022 31.271 21.660 1.00 71.13 C +ATOM 4094 OD1 ASN B 278 40.460 30.187 21.460 1.00 72.62 O +ATOM 4095 ND2 ASN B 278 40.384 32.437 21.559 1.00 71.15 N +ATOM 4096 N GLY B 279 44.734 31.867 23.639 1.00 68.75 N +ATOM 4097 CA GLY B 279 46.104 32.181 24.010 1.00 70.60 C +ATOM 4098 C GLY B 279 46.428 33.631 24.349 1.00 71.54 C +ATOM 4099 O GLY B 279 46.712 33.965 25.511 1.00 72.43 O +ATOM 4100 N GLU B 280 46.395 34.490 23.333 1.00 71.80 N +ATOM 4101 CA GLU B 280 46.698 35.911 23.487 1.00 71.66 C +ATOM 4102 C GLU B 280 46.504 36.465 24.895 1.00 71.85 C +ATOM 4103 O GLU B 280 45.621 36.031 25.660 1.00 70.33 O +ATOM 4104 CB GLU B 280 45.851 36.758 22.532 1.00 72.25 C +ATOM 4105 CG GLU B 280 45.281 36.018 21.347 1.00 73.32 C +ATOM 4106 CD GLU B 280 43.764 36.097 21.319 1.00 74.70 C +ATOM 4107 OE1 GLU B 280 43.109 35.479 22.204 1.00 74.30 O +ATOM 4108 OE2 GLU B 280 43.233 36.793 20.414 1.00 75.43 O +ATOM 4109 N PRO B 281 47.320 37.464 25.249 1.00 72.07 N +ATOM 4110 CA PRO B 281 47.189 38.049 26.585 1.00 72.28 C +ATOM 4111 C PRO B 281 45.837 38.752 26.682 1.00 71.75 C +ATOM 4112 O PRO B 281 45.356 39.347 25.709 1.00 70.59 O +ATOM 4113 CB PRO B 281 48.356 39.048 26.660 1.00 72.80 C +ATOM 4114 CG PRO B 281 49.276 38.637 25.513 1.00 73.42 C +ATOM 4115 CD PRO B 281 48.320 38.186 24.449 1.00 71.82 C +ATOM 4116 N PRO B 282 45.197 38.676 27.849 1.00 71.38 N +ATOM 4117 CA PRO B 282 43.902 39.345 27.991 1.00 71.54 C +ATOM 4118 C PRO B 282 44.074 40.870 28.088 1.00 72.28 C +ATOM 4119 O PRO B 282 45.201 41.380 28.150 1.00 71.80 O +ATOM 4120 CB PRO B 282 43.352 38.746 29.282 1.00 71.12 C +ATOM 4121 CG PRO B 282 44.603 38.498 30.086 1.00 71.00 C +ATOM 4122 CD PRO B 282 45.526 37.890 29.051 1.00 70.69 C +ATOM 4123 N GLU B 283 42.948 41.584 28.078 1.00 73.35 N +ATOM 4124 CA GLU B 283 42.938 43.034 28.214 1.00 74.48 C +ATOM 4125 C GLU B 283 42.886 43.317 29.718 1.00 75.50 C +ATOM 4126 O GLU B 283 42.435 44.380 30.150 1.00 76.58 O +ATOM 4127 CB GLU B 283 41.703 43.633 27.532 1.00 74.83 C +ATOM 4128 CG GLU B 283 41.650 43.413 26.017 1.00 77.28 C +ATOM 4129 CD GLU B 283 40.733 44.421 25.275 1.00 78.63 C +ATOM 4130 OE1 GLU B 283 39.495 44.427 25.531 1.00 78.98 O +ATOM 4131 OE2 GLU B 283 41.260 45.205 24.437 1.00 78.02 O +ATOM 4132 N ALA B 284 43.367 42.354 30.503 1.00 76.16 N +ATOM 4133 CA ALA B 284 43.362 42.444 31.962 1.00 76.94 C +ATOM 4134 C ALA B 284 44.651 43.025 32.558 1.00 77.71 C +ATOM 4135 O ALA B 284 45.704 42.377 32.563 1.00 77.81 O +ATOM 4136 CB ALA B 284 43.085 41.057 32.561 1.00 77.33 C +ATOM 4137 N PRO B 285 44.566 44.246 33.111 1.00 78.63 N +ATOM 4138 CA PRO B 285 45.723 44.921 33.711 1.00 78.72 C +ATOM 4139 C PRO B 285 46.601 44.064 34.646 1.00 79.58 C +ATOM 4140 O PRO B 285 46.264 42.906 34.971 1.00 78.85 O +ATOM 4141 CB PRO B 285 45.085 46.108 34.433 1.00 78.25 C +ATOM 4142 CG PRO B 285 43.887 46.420 33.576 1.00 78.16 C +ATOM 4143 CD PRO B 285 43.336 45.040 33.310 1.00 78.64 C +ATOM 4144 N LYS B 286 47.722 44.673 35.065 1.00 80.19 N +ATOM 4145 CA LYS B 286 48.727 44.081 35.964 1.00 79.44 C +ATOM 4146 C LYS B 286 49.319 42.766 35.428 1.00 79.52 C +ATOM 4147 O LYS B 286 49.578 41.836 36.241 1.00 78.89 O +ATOM 4148 CB LYS B 286 48.125 43.859 37.362 1.00 78.36 C +ATOM 4149 CG LYS B 286 49.174 43.516 38.411 1.00 77.54 C +ATOM 4150 CD LYS B 286 48.684 43.767 39.827 1.00 75.36 C +ATOM 4151 CE LYS B 286 49.885 43.972 40.750 1.00 74.51 C +ATOM 4152 NZ LYS B 286 50.795 45.060 40.273 1.00 71.46 N +TER 4153 LYS B 286 +HETATM 4154 MG MG A 341 1.384 19.340 11.968 1.00 67.64 MG +HETATM 4155 MG MG A 342 3.277 24.927 8.421 1.00 50.39 MG +HETATM 4156 MG MG B 441 16.920 31.308 46.174 1.00 58.36 MG +HETATM 4157 MG MG B 442 21.131 25.935 45.938 1.00 92.83 MG +HETATM 4158 PG AGS A 340 0.280 21.925 8.908 1.00 71.92 P +HETATM 4159 S1G AGS A 340 0.063 22.372 6.949 1.00 73.73 S +HETATM 4160 O2G AGS A 340 1.848 21.862 9.226 1.00 69.56 O +HETATM 4161 O3G AGS A 340 -0.394 20.577 9.175 1.00 71.04 O +HETATM 4162 PB AGS A 340 -0.181 23.047 11.491 1.00 66.45 P +HETATM 4163 O1B AGS A 340 -1.491 23.286 12.095 1.00 67.78 O +HETATM 4164 O2B AGS A 340 0.580 21.738 11.841 1.00 65.98 O +HETATM 4165 O3B AGS A 340 -0.268 23.073 9.888 1.00 68.73 O +HETATM 4166 PA AGS A 340 2.209 24.398 12.120 1.00 56.53 P +HETATM 4167 O1A AGS A 340 2.494 23.844 13.561 1.00 56.34 O +HETATM 4168 O2A AGS A 340 3.071 23.628 11.115 1.00 56.96 O +HETATM 4169 O3A AGS A 340 0.728 24.297 11.692 1.00 62.02 O +HETATM 4170 O5' AGS A 340 2.410 25.997 12.136 1.00 54.18 O +HETATM 4171 C5' AGS A 340 1.534 26.899 11.359 1.00 51.58 C +HETATM 4172 C4' AGS A 340 2.177 28.275 11.386 1.00 48.20 C +HETATM 4173 O4' AGS A 340 2.053 28.722 12.737 1.00 47.27 O +HETATM 4174 C3' AGS A 340 3.669 28.243 11.175 1.00 48.70 C +HETATM 4175 O3' AGS A 340 4.108 27.899 9.817 1.00 47.57 O +HETATM 4176 C2' AGS A 340 3.974 29.568 11.886 1.00 47.76 C +HETATM 4177 O2' AGS A 340 3.674 30.760 11.137 1.00 49.68 O +HETATM 4178 C1' AGS A 340 3.110 29.492 13.096 1.00 46.98 C +HETATM 4179 N9 AGS A 340 3.749 28.890 14.289 1.00 46.39 N +HETATM 4180 C8 AGS A 340 3.769 27.614 14.756 1.00 46.18 C +HETATM 4181 N7 AGS A 340 4.448 27.473 15.895 1.00 45.28 N +HETATM 4182 C5 AGS A 340 4.887 28.750 16.164 1.00 45.77 C +HETATM 4183 C6 AGS A 340 5.661 29.287 17.235 1.00 46.11 C +HETATM 4184 N6 AGS A 340 6.130 28.675 18.212 1.00 46.60 N +HETATM 4185 N1 AGS A 340 5.875 30.642 17.118 1.00 45.68 N +HETATM 4186 C2 AGS A 340 5.409 31.437 16.089 1.00 45.91 C +HETATM 4187 N3 AGS A 340 4.688 30.971 15.086 1.00 46.57 N +HETATM 4188 C4 AGS A 340 4.462 29.625 15.179 1.00 45.96 C +HETATM 4189 PG AGS B 440 18.875 28.594 48.030 1.00 51.90 P +HETATM 4190 S1G AGS B 440 19.657 28.670 49.870 1.00 49.98 S +HETATM 4191 O2G AGS B 440 20.022 28.284 47.007 1.00 50.95 O +HETATM 4192 O3G AGS B 440 18.238 29.922 47.691 1.00 50.49 O +HETATM 4193 PB AGS B 440 16.643 27.155 46.931 1.00 50.21 P +HETATM 4194 O1B AGS B 440 15.435 26.791 47.686 1.00 49.07 O +HETATM 4195 O2B AGS B 440 16.646 28.406 46.022 1.00 49.27 O +HETATM 4196 O3B AGS B 440 17.876 27.349 47.909 1.00 50.09 O +HETATM 4197 PA AGS B 440 17.684 25.773 44.740 1.00 45.78 P +HETATM 4198 O1A AGS B 440 16.638 26.214 43.662 1.00 46.94 O +HETATM 4199 O2A AGS B 440 18.928 26.603 44.564 1.00 49.22 O +HETATM 4200 O3A AGS B 440 17.158 25.909 46.167 1.00 49.13 O +HETATM 4201 O5' AGS B 440 17.938 24.207 44.670 1.00 46.46 O +HETATM 4202 C5' AGS B 440 18.728 23.513 45.678 1.00 47.38 C +HETATM 4203 C4' AGS B 440 19.273 22.268 44.998 1.00 46.91 C +HETATM 4204 O4' AGS B 440 18.177 21.700 44.243 1.00 45.10 O +HETATM 4205 C3' AGS B 440 20.294 22.573 43.934 1.00 48.37 C +HETATM 4206 O3' AGS B 440 21.580 23.092 44.420 1.00 50.14 O +HETATM 4207 C2' AGS B 440 20.132 21.268 43.146 1.00 47.57 C +HETATM 4208 O2' AGS B 440 20.785 20.104 43.706 1.00 50.00 O +HETATM 4209 C1' AGS B 440 18.636 21.096 43.115 1.00 46.11 C +HETATM 4210 N9 AGS B 440 17.996 21.711 41.928 1.00 44.80 N +HETATM 4211 C8 AGS B 440 17.492 22.952 41.714 1.00 44.67 C +HETATM 4212 N7 AGS B 440 16.986 23.121 40.489 1.00 44.29 N +HETATM 4213 C5 AGS B 440 17.184 21.896 39.882 1.00 45.31 C +HETATM 4214 C6 AGS B 440 16.874 21.404 38.563 1.00 45.17 C +HETATM 4215 N6 AGS B 440 16.323 22.019 37.630 1.00 43.59 N +HETATM 4216 N1 AGS B 440 17.258 20.091 38.372 1.00 44.98 N +HETATM 4217 C2 AGS B 440 17.878 19.294 39.323 1.00 46.39 C +HETATM 4218 N3 AGS B 440 18.176 19.715 40.548 1.00 46.58 N +HETATM 4219 C4 AGS B 440 17.807 21.021 40.765 1.00 45.55 C +CONECT 1192 4154 +CONECT 1193 4154 +CONECT 3182 4157 +CONECT 3276 4156 +CONECT 3277 4156 +CONECT 4154 1192 1193 4164 +CONECT 4155 4168 +CONECT 4156 3276 3277 4192 4195 +CONECT 4157 3182 4191 4199 +CONECT 4158 4159 4160 4161 4165 +CONECT 4159 4158 +CONECT 4160 4158 +CONECT 4161 4158 +CONECT 4162 4163 4164 4165 4169 +CONECT 4163 4162 +CONECT 4164 4154 4162 +CONECT 4165 4158 4162 +CONECT 4166 4167 4168 4169 4170 +CONECT 4167 4166 +CONECT 4168 4155 4166 +CONECT 4169 4162 4166 +CONECT 4170 4166 4171 +CONECT 4171 4170 4172 +CONECT 4172 4171 4173 4174 +CONECT 4173 4172 4178 +CONECT 4174 4172 4175 4176 +CONECT 4175 4174 +CONECT 4176 4174 4177 4178 +CONECT 4177 4176 +CONECT 4178 4173 4176 4179 +CONECT 4179 4178 4180 4188 +CONECT 4180 4179 4181 +CONECT 4181 4180 4182 +CONECT 4182 4181 4183 4188 +CONECT 4183 4182 4184 4185 +CONECT 4184 4183 +CONECT 4185 4183 4186 +CONECT 4186 4185 4187 +CONECT 4187 4186 4188 +CONECT 4188 4179 4182 4187 +CONECT 4189 4190 4191 4192 4196 +CONECT 4190 4189 +CONECT 4191 4157 4189 +CONECT 4192 4156 4189 +CONECT 4193 4194 4195 4196 4200 +CONECT 4194 4193 +CONECT 4195 4156 4193 +CONECT 4196 4189 4193 +CONECT 4197 4198 4199 4200 4201 +CONECT 4198 4197 +CONECT 4199 4157 4197 +CONECT 4200 4193 4197 +CONECT 4201 4197 4202 +CONECT 4202 4201 4203 +CONECT 4203 4202 4204 4205 +CONECT 4204 4203 4209 +CONECT 4205 4203 4206 4207 +CONECT 4206 4205 +CONECT 4207 4205 4208 4209 +CONECT 4208 4207 +CONECT 4209 4204 4207 4210 +CONECT 4210 4209 4211 4219 +CONECT 4211 4210 4212 +CONECT 4212 4211 4213 +CONECT 4213 4212 4214 4219 +CONECT 4214 4213 4215 4216 +CONECT 4215 4214 +CONECT 4216 4214 4217 +CONECT 4217 4216 4218 +CONECT 4218 4217 4219 +CONECT 4219 4210 4213 4218 +MASTER 442 0 6 21 19 0 12 6 4217 2 71 48 +END diff --git a/tracking/data/1mru_2mFo-DFc.ccp4 b/tracking/data/1mru_2mFo-DFc.ccp4 new file mode 100644 index 000000000..e1c5217b6 Binary files /dev/null and b/tracking/data/1mru_2mFo-DFc.ccp4 differ diff --git a/tracking/data/1yjp_2mFo-DFc.ccp4 b/tracking/data/1yjp_2mFo-DFc.ccp4 new file mode 100644 index 000000000..df64455ef Binary files /dev/null and b/tracking/data/1yjp_2mFo-DFc.ccp4 differ diff --git a/tracking/data/1yjp_2mFo-DFc.omap b/tracking/data/1yjp_2mFo-DFc.omap new file mode 100644 index 000000000..619d01d60 Binary files /dev/null and b/tracking/data/1yjp_2mFo-DFc.omap differ diff --git a/tracking/data/2gkg.pdb b/tracking/data/2gkg.pdb new file mode 100644 index 000000000..dbf6f6623 --- /dev/null +++ b/tracking/data/2gkg.pdb @@ -0,0 +1,3353 @@ +HEADER SIGNALING PROTEIN 01-APR-06 2GKG +TITLE RECEIVER DOMAIN FROM MYXOCOCCUS XANTHUS SOCIAL MOTILITY PROTEIN FRZS +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: RESPONSE REGULATOR HOMOLOG; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: RECEIVER DOMAIN (RESIDUES 1-124); +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: MYXOCOCCUS XANTHUS; +SOURCE 3 ORGANISM_TAXID: 34; +SOURCE 4 GENE: FRZS; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; +SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; +SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28B +KEYWDS SOCIAL MOTILITY, RECEIVER DOMAIN, SIGNALLING, HIGH RESOLUTION, +KEYWDS 2 SIGNALING PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR N.ECHOLS,J.FRASER,J.MERLIE,D.ZUSMAN,T.ALBER +REVDAT 3 09-JUN-10 2GKG 1 JRNL +REVDAT 2 24-FEB-09 2GKG 1 VERSN +REVDAT 1 13-MAR-07 2GKG 0 +JRNL AUTH J.S.FRASER,J.P.MERLIE,N.ECHOLS,S.R.WEISFIELD,T.MIGNOT, +JRNL AUTH 2 D.E.WEMMER,D.R.ZUSMAN,T.ALBER +JRNL TITL AN ATYPICAL RECEIVER DOMAIN CONTROLS THE DYNAMIC POLAR +JRNL TITL 2 LOCALIZATION OF THE MYXOCOCCUS XANTHUS SOCIAL MOTILITY +JRNL TITL 3 PROTEIN FRZS. +JRNL REF MOL.MICROBIOL. V. 65 319 2007 +JRNL REFN ISSN 0950-382X +JRNL PMID 17573816 +JRNL DOI 10.1111/J.1365-2958.2007.05785.X +REMARK 2 +REMARK 2 RESOLUTION. 1.00 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : SHELXL-97 +REMARK 3 AUTHORS : G.M.SHELDRICK +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.00 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 +REMARK 3 CROSS-VALIDATION METHOD : FREE R +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). +REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL +REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.092 +REMARK 3 FREE R VALUE (NO CUTOFF) : 0.123 +REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 5.120 +REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 2999 +REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 58567 +REMARK 3 +REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). +REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : NULL +REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : 0.084 +REMARK 3 FREE R VALUE (F>4SIG(F)) : 0.115 +REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : 5.130 +REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : 2501 +REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : 46236 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 922 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 361 +REMARK 3 +REMARK 3 MODEL REFINEMENT. +REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : 1204.95 +REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : 947.00 +REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : 31 +REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : 13613 +REMARK 3 NUMBER OF RESTRAINTS : 18431 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. +REMARK 3 BOND LENGTHS (A) : 0.014 +REMARK 3 ANGLE DISTANCES (A) : 0.031 +REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : 0.000 +REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : 0.033 +REMARK 3 ZERO CHIRAL VOLUMES (A**3) : 0.094 +REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : 0.085 +REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : 0.054 +REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : 0.006 +REMARK 3 SIMILAR ADP COMPONENTS (A**2) : 0.041 +REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : 0.089 +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED: NULL +REMARK 3 +REMARK 3 STEREOCHEMISTRY TARGET VALUES : ENGH AND HUBER +REMARK 3 SPECIAL CASE: NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: ALL HYDROGEN ATOMS ON PROTEIN RESIDUES +REMARK 3 WERE INCLUDED IN THE FINAL ROUND OF REFINEMENT. POSITIONS OF +REMARK 3 HYDROXYL AND METHYL HYDROGENS WERE REFINED INDEPENDENTLY. +REMARK 4 +REMARK 4 2GKG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-APR-06. +REMARK 100 THE RCSB ID CODE IS RCSB037229. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 09-NOV-05 +REMARK 200 TEMPERATURE (KELVIN) : 100.0 +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ALS +REMARK 200 BEAMLINE : 8.3.1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.8856 +REMARK 200 MONOCHROMATOR : SI 111 +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : BLU-ICE +REMARK 200 DATA SCALING SOFTWARE : HKL-2000 +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 58567 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.000 +REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 +REMARK 200 DATA REDUNDANCY : 8.500 +REMARK 200 R MERGE (I) : 0.06100 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 28.7500 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.00 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.02 +REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 +REMARK 200 DATA REDUNDANCY IN SHELL : 6.30 +REMARK 200 R MERGE FOR SHELL (I) : 0.49200 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 2.000 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: EPMR +REMARK 200 STARTING MODEL: GUANYLATE CYCLASE RECEIVER DOMAIN (PDB CODE: 1W25) +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 38.82 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.01 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 3350, NAFORMATE, VAPOR DIFFUSION, +REMARK 280 HANGING DROP, TEMPERATURE 291K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 63 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z +REMARK 290 3555 -X+Y,-X,Z +REMARK 290 4555 -X,-Y,Z+1/2 +REMARK 290 5555 Y,-X+Y,Z+1/2 +REMARK 290 6555 X-Y,X,Z+1/2 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 23.01900 +REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 23.01900 +REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 23.01900 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 300 REMARK: ASU CONTAINS ONE COPY OF FRZS RECEIVER DOMAIN. THE FULL- +REMARK 300 LENGTH PROTEIN INCLUDES A COILED-COIL DOMAIN AND MAY OLIGOMERIZE. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A -2 +REMARK 465 SER A -1 +REMARK 465 HIS A 0 +REMARK 465 MET A 1 +REMARK 465 SER A 2 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 GLU A 124 CG CD OE1 OE2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 O GLN A 60 O HOH A 346 2.12 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 ARG A 93 NE ARG A 93 CZ -0.081 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ARG A 93 CD - NE - CZ ANGL. DEV. = 13.7 DEGREES +REMARK 500 ARG A 93 NE - CZ - NH1 ANGL. DEV. = -5.4 DEGREES +REMARK 500 ARG A 93 NE - CZ - NH2 ANGL. DEV. = 11.1 DEGREES +REMARK 500 ASP A 108 CB - CG - OD2 ANGL. DEV. = 7.2 DEGREES +REMARK 500 ASP A 110 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES +REMARK 500 ARG A 115 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES +REMARK 500 ARG A 115 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 525 +REMARK 525 SOLVENT +REMARK 525 +REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT +REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST +REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT +REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE +REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; +REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE +REMARK 525 NUMBER; I=INSERTION CODE): +REMARK 525 +REMARK 525 M RES CSSEQI +REMARK 525 HOH A 388 DISTANCE = 8.09 ANGSTROMS +REMARK 525 HOH A 397 DISTANCE = 8.04 ANGSTROMS +REMARK 525 HOH A 410 DISTANCE = 6.06 ANGSTROMS +REMARK 525 HOH A 444 DISTANCE = 9.57 ANGSTROMS +REMARK 525 HOH A 457 DISTANCE = 7.10 ANGSTROMS +REMARK 525 HOH A 477 DISTANCE = 6.72 ANGSTROMS +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 2I6F RELATED DB: PDB +REMARK 900 RELATED ID: 2NT3 RELATED DB: PDB +REMARK 900 RELATED ID: 2NT4 RELATED DB: PDB +DBREF 2GKG A 1 124 GB 4063845 AAC98490 1 124 +SEQADV 2GKG GLY A -2 GB 4063845 CLONING ARTIFACT +SEQADV 2GKG SER A -1 GB 4063845 CLONING ARTIFACT +SEQADV 2GKG HIS A 0 GB 4063845 CLONING ARTIFACT +SEQRES 1 A 127 GLY SER HIS MET SER LYS LYS ILE LEU ILE VAL GLU SER +SEQRES 2 A 127 ASP THR ALA LEU SER ALA THR LEU ARG SER ALA LEU GLU +SEQRES 3 A 127 GLY ARG GLY PHE THR VAL ASP GLU THR THR ASP GLY LYS +SEQRES 4 A 127 GLY SER VAL GLU GLN ILE ARG ARG ASP ARG PRO ASP LEU +SEQRES 5 A 127 VAL VAL LEU ALA VAL ASP LEU SER ALA GLY GLN ASN GLY +SEQRES 6 A 127 TYR LEU ILE CYS GLY LYS LEU LYS LYS ASP ASP ASP LEU +SEQRES 7 A 127 LYS ASN VAL PRO ILE VAL ILE ILE GLY ASN PRO ASP GLY +SEQRES 8 A 127 PHE ALA GLN HIS ARG LYS LEU LYS ALA HIS ALA ASP GLU +SEQRES 9 A 127 TYR VAL ALA LYS PRO VAL ASP ALA ASP GLN LEU VAL GLU +SEQRES 10 A 127 ARG ALA GLY ALA LEU ILE GLY PHE PRO GLU +FORMUL 2 HOH *361(H2 O) +HELIX 1 1 ASP A 11 GLY A 26 1 16 +HELIX 2 2 ASP A 34 ARG A 46 1 13 +HELIX 3 3 LEU A 56 GLN A 60 5 5 +HELIX 4 4 ASN A 61 ASP A 72 1 12 +HELIX 5 5 ASN A 85 ASP A 87 5 3 +HELIX 6 6 GLY A 88 LEU A 95 1 8 +HELIX 7 7 ASP A 108 GLY A 121 1 14 +SHEET 1 A 5 THR A 28 THR A 32 0 +SHEET 2 A 5 LYS A 4 VAL A 8 1 N ILE A 5 O THR A 28 +SHEET 3 A 5 LEU A 49 ALA A 53 1 O VAL A 51 N VAL A 8 +SHEET 4 A 5 ILE A 80 GLY A 84 1 O VAL A 81 N VAL A 50 +SHEET 5 A 5 GLU A 101 ALA A 104 1 O VAL A 103 N ILE A 82 +CISPEP 1 LYS A 105 PRO A 106 0 2.18 +CRYST1 64.360 64.360 46.038 90.00 90.00 120.00 P 63 6 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.015538 0.008971 0.000000 0.00000 +SCALE2 0.000000 0.017941 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.021721 0.00000 +ATOM 1 N LYS A 3 2.886 27.255 -11.588 1.00 16.32 N +ANISOU 1 N LYS A 3 1826 1614 2762 -196 -1071 664 N +ATOM 2 CA LYS A 3 3.471 26.975 -10.311 1.00 12.64 C +ANISOU 2 CA LYS A 3 1329 1011 2463 -63 -731 471 C +ATOM 3 C LYS A 3 3.755 25.481 -10.258 1.00 10.50 C +ANISOU 3 C LYS A 3 1077 961 1953 -129 -419 142 C +ATOM 4 O LYS A 3 2.841 24.650 -10.386 1.00 13.98 O +ANISOU 4 O LYS A 3 1090 1075 3148 -98 -392 -119 O +ATOM 5 CB LYS A 3 2.497 27.386 -9.209 1.00 17.40 C +ANISOU 5 CB LYS A 3 2511 1164 2936 615 -333 136 C +ATOM 6 CG LYS A 3 2.362 28.937 -9.232 1.00 24.11 C +ANISOU 6 CG LYS A 3 4690 1366 3106 1098 -87 629 C +ATOM 7 CD LYS A 3 1.556 29.403 -8.063 1.00 32.23 C +ANISOU 7 CD LYS A 3 6250 2015 3979 948 307 -1006 C +ATOM 8 CE LYS A 3 1.335 30.898 -8.308 1.00 31.42 C +ANISOU 8 CE LYS A 3 4966 2564 4407 1695 652 -73 C +ATOM 9 NZ LYS A 3 2.553 31.638 -7.923 1.00 34.11 N +ANISOU 9 NZ LYS A 3 6565 2475 3920 175 798 553 N +ATOM 10 N ALYS A 4 5.001 25.147 -10.032 0.63 9.97 N +ANISOU 10 N ALYS A 4 1161 1055 1572 -216 -614 509 N +ATOM 11 N BLYS A 4 5.010 25.104 -10.139 0.37 8.36 N +ANISOU 11 N BLYS A 4 984 880 1313 -171 101 338 N +ATOM 12 CA ALYS A 4 5.536 23.819 -10.126 0.63 8.83 C +ANISOU 12 CA ALYS A 4 1011 1104 1239 -149 -327 399 C +ATOM 13 CA BLYS A 4 5.422 23.716 -10.181 0.37 8.00 C +ANISOU 13 CA BLYS A 4 1162 921 957 -8 135 164 C +ATOM 14 C ALYS A 4 5.914 23.228 -8.768 0.63 7.15 C +ANISOU 14 C ALYS A 4 800 918 997 -37 -51 272 C +ATOM 15 C BLYS A 4 5.770 23.269 -8.757 0.37 7.39 C +ANISOU 15 C BLYS A 4 750 968 1088 -149 -16 272 C +ATOM 16 O ALYS A 4 6.698 23.826 -8.010 0.63 7.49 O +ANISOU 16 O ALYS A 4 725 883 1239 -122 -133 349 O +ATOM 17 O BLYS A 4 6.364 23.990 -7.959 0.37 7.67 O +ANISOU 17 O BLYS A 4 820 766 1330 29 -95 138 O +ATOM 18 CB ALYS A 4 6.822 23.916 -10.995 0.63 10.89 C +ANISOU 18 CB ALYS A 4 1479 1658 1003 -331 -93 500 C +ATOM 19 CB BLYS A 4 6.633 23.490 -11.087 0.37 11.46 C +ANISOU 19 CB BLYS A 4 1678 1309 1366 327 550 510 C +ATOM 20 CG ALYS A 4 7.587 22.648 -11.066 0.63 15.95 C +ANISOU 20 CG ALYS A 4 2281 1705 2073 -147 829 -272 C +ATOM 21 CG BLYS A 4 6.618 24.086 -12.478 0.37 14.26 C +ANISOU 21 CG BLYS A 4 2608 1652 1158 418 759 350 C +ATOM 22 CD ALYS A 4 6.992 21.516 -11.836 0.63 23.28 C +ANISOU 22 CD ALYS A 4 5211 1760 1874 -624 -246 189 C +ATOM 23 CD BLYS A 4 8.018 24.062 -13.116 0.37 19.48 C +ANISOU 23 CD BLYS A 4 2860 2804 1736 520 1206 763 C +ATOM 24 CE ALYS A 4 7.028 20.133 -11.168 0.63 13.03 C +ANISOU 24 CE ALYS A 4 2034 1308 1607 -103 934 -289 C +ATOM 25 CE BLYS A 4 8.751 22.744 -13.004 0.37 21.55 C +ANISOU 25 CE BLYS A 4 2038 3149 3003 621 490 378 C +ATOM 26 NZ ALYS A 4 8.303 19.811 -10.483 0.63 22.70 N +ANISOU 26 NZ ALYS A 4 2577 2992 3056 307 324 -24 N +ATOM 27 NZ BLYS A 4 9.952 22.493 -12.175 0.37 19.92 N +ANISOU 27 NZ BLYS A 4 2511 3298 1761 9 513 920 N +ATOM 28 N ILE A 5 5.385 22.041 -8.485 1.00 6.68 N +ANISOU 28 N ILE A 5 889 735 914 2 -162 110 N +ATOM 29 CA ILE A 5 5.656 21.338 -7.238 1.00 6.22 C +ANISOU 29 CA ILE A 5 794 722 849 -22 -158 54 C +ATOM 30 C ILE A 5 6.357 20.025 -7.545 1.00 5.97 C +ANISOU 30 C ILE A 5 813 693 761 -25 -139 32 C +ATOM 31 O ILE A 5 5.980 19.321 -8.472 1.00 7.47 O +ANISOU 31 O ILE A 5 1019 869 949 137 -311 -104 O +ATOM 32 CB ILE A 5 4.348 21.064 -6.463 1.00 6.52 C +ANISOU 32 CB ILE A 5 793 796 888 -3 -99 -13 C +ATOM 33 CG1 ILE A 5 3.695 22.420 -6.092 1.00 7.79 C +ANISOU 33 CG1 ILE A 5 969 957 1035 107 -8 48 C +ATOM 34 CG2 ILE A 5 4.585 20.190 -5.256 1.00 7.00 C +ANISOU 34 CG2 ILE A 5 812 974 872 -75 -37 119 C +ATOM 35 CD1 ILE A 5 2.376 22.294 -5.397 1.00 8.59 C +ANISOU 35 CD1 ILE A 5 1038 1136 1091 122 86 -13 C +ATOM 36 N LEU A 6 7.381 19.703 -6.737 1.00 5.69 N +ANISOU 36 N LEU A 6 750 706 705 -48 -52 33 N +ATOM 37 CA LEU A 6 7.954 18.352 -6.733 1.00 5.40 C +ANISOU 37 CA LEU A 6 676 643 731 -48 -9 47 C +ATOM 38 C LEU A 6 7.597 17.667 -5.426 1.00 5.15 C +ANISOU 38 C LEU A 6 653 605 699 -31 -24 -40 C +ATOM 39 O LEU A 6 7.844 18.226 -4.358 1.00 5.88 O +ANISOU 39 O LEU A 6 878 682 673 -111 -20 -34 O +ATOM 40 CB LEU A 6 9.496 18.417 -6.862 1.00 5.90 C +ANISOU 40 CB LEU A 6 718 837 687 -52 -14 29 C +ATOM 41 CG LEU A 6 10.213 17.065 -6.839 1.00 6.05 C +ANISOU 41 CG LEU A 6 677 834 787 29 -1 96 C +ATOM 42 CD1 LEU A 6 9.840 16.214 -8.031 1.00 7.21 C +ANISOU 42 CD1 LEU A 6 858 964 917 109 19 -123 C +ATOM 43 CD2 LEU A 6 11.699 17.275 -6.779 1.00 7.58 C +ANISOU 43 CD2 LEU A 6 726 940 1214 -33 54 60 C +ATOM 44 N ILE A 7 7.036 16.464 -5.530 1.00 5.13 N +ANISOU 44 N ILE A 7 687 695 568 -13 -11 1 N +ATOM 45 CA ILE A 7 6.760 15.625 -4.377 1.00 5.06 C +ANISOU 45 CA ILE A 7 670 622 628 -30 -42 21 C +ATOM 46 C ILE A 7 7.882 14.576 -4.282 1.00 5.00 C +ANISOU 46 C ILE A 7 631 647 622 -23 9 19 C +ATOM 47 O ILE A 7 8.096 13.811 -5.230 1.00 5.87 O +ANISOU 47 O ILE A 7 786 832 611 148 -42 -141 O +ATOM 48 CB ILE A 7 5.388 14.928 -4.473 1.00 5.39 C +ANISOU 48 CB ILE A 7 699 660 690 -74 -6 -37 C +ATOM 49 CG1 ILE A 7 4.268 15.943 -4.699 1.00 5.76 C +ANISOU 49 CG1 ILE A 7 651 757 782 -21 -21 17 C +ATOM 50 CG2 ILE A 7 5.177 14.069 -3.243 1.00 6.61 C +ANISOU 50 CG2 ILE A 7 872 758 882 -94 -42 188 C +ATOM 51 CD1 ILE A 7 2.894 15.298 -4.864 1.00 7.28 C +ANISOU 51 CD1 ILE A 7 717 1034 1014 -89 -66 66 C +ATOM 52 N VAL A 8 8.573 14.578 -3.153 1.00 5.14 N +ANISOU 52 N VAL A 8 656 621 677 20 18 -37 N +ATOM 53 CA VAL A 8 9.643 13.605 -2.838 1.00 5.15 C +ANISOU 53 CA VAL A 8 672 680 605 32 -6 -11 C +ATOM 54 C VAL A 8 9.049 12.658 -1.802 1.00 5.21 C +ANISOU 54 C VAL A 8 690 628 661 42 -44 -129 C +ATOM 55 O VAL A 8 8.911 12.998 -0.629 1.00 5.36 O +ANISOU 55 O VAL A 8 810 662 564 61 -11 -72 O +ATOM 56 CB VAL A 8 10.892 14.314 -2.311 1.00 5.53 C +ANISOU 56 CB VAL A 8 672 765 663 -4 -32 -93 C +ATOM 57 CG1 VAL A 8 11.993 13.292 -2.021 1.00 6.33 C +ANISOU 57 CG1 VAL A 8 731 927 747 40 -73 50 C +ATOM 58 CG2 VAL A 8 11.404 15.390 -3.259 1.00 6.34 C +ANISOU 58 CG2 VAL A 8 793 828 788 -137 18 -11 C +ATOM 59 N GLU A 9 8.633 11.471 -2.272 1.00 5.43 N +ANISOU 59 N GLU A 9 768 684 610 -4 28 -36 N +ATOM 60 CA GLU A 9 7.822 10.560 -1.473 1.00 5.66 C +ANISOU 60 CA GLU A 9 842 684 624 4 7 -38 C +ATOM 61 C GLU A 9 7.959 9.172 -2.084 1.00 5.82 C +ANISOU 61 C GLU A 9 749 712 750 -32 30 -66 C +ATOM 62 O GLU A 9 7.703 9.002 -3.280 1.00 6.83 O +ANISOU 62 O GLU A 9 1043 810 741 -90 1 -161 O +ATOM 63 CB GLU A 9 6.371 11.031 -1.438 1.00 5.84 C +ANISOU 63 CB GLU A 9 779 755 684 32 28 43 C +ATOM 64 CG GLU A 9 5.361 10.115 -0.780 1.00 6.30 C +ANISOU 64 CG GLU A 9 809 836 748 13 116 -29 C +ATOM 65 CD GLU A 9 5.679 9.759 0.656 1.00 6.43 C +ANISOU 65 CD GLU A 9 936 700 808 -33 45 -11 C +ATOM 66 OE1 GLU A 9 5.132 10.409 1.549 1.00 7.50 O +ANISOU 66 OE1 GLU A 9 1087 970 792 -70 177 -81 O +ATOM 67 OE2 GLU A 9 6.506 8.830 0.829 1.00 7.76 O +ANISOU 67 OE2 GLU A 9 1314 856 777 114 -38 -18 O +ATOM 68 N ASER A 10 8.372 8.200 -1.319 0.72 6.11 N +ANISOU 68 N ASER A 10 717 730 875 85 -71 -136 N +ATOM 69 N BSER A 10 8.377 8.230 -1.255 0.28 7.25 N +ANISOU 69 N BSER A 10 1372 535 847 5 -199 -247 N +ATOM 70 CA ASER A 10 8.437 6.814 -1.805 0.72 6.33 C +ANISOU 70 CA ASER A 10 792 704 910 109 -83 -169 C +ATOM 71 CA BSER A 10 8.505 6.805 -1.530 0.28 7.04 C +ANISOU 71 CA BSER A 10 972 546 1156 -45 -3 -340 C +ATOM 72 C ASER A 10 7.132 6.043 -1.598 0.72 6.22 C +ANISOU 72 C ASER A 10 853 642 870 111 -144 -36 C +ATOM 73 C BSER A 10 7.142 6.114 -1.628 0.28 7.91 C +ANISOU 73 C BSER A 10 970 731 1304 -93 85 -390 C +ATOM 74 O ASER A 10 7.013 4.906 -2.123 0.72 7.99 O +ANISOU 74 O ASER A 10 1011 682 1342 32 29 -163 O +ATOM 75 O BSER A 10 7.026 5.144 -2.394 0.28 6.08 O +ANISOU 75 O BSER A 10 998 439 872 -5 -157 -16 O +ATOM 76 CB ASER A 10 9.653 6.166 -1.123 0.72 6.65 C +ANISOU 76 CB ASER A 10 832 765 930 66 -43 -76 C +ATOM 77 CB BSER A 10 9.360 6.102 -0.456 0.28 11.31 C +ANISOU 77 CB BSER A 10 1304 942 2051 580 -429 -364 C +ATOM 78 OG ASER A 10 9.590 6.397 0.295 0.72 7.72 O +ANISOU 78 OG ASER A 10 1209 820 902 184 -264 16 O +ATOM 79 OG BSER A 10 10.662 6.658 -0.435 0.28 18.18 O +ANISOU 79 OG BSER A 10 1166 2335 3407 461 -677 -1124 O +ATOM 80 N ASP A 11 6.168 6.582 -0.858 1.00 6.63 N +ANISOU 80 N ASP A 11 859 738 920 57 -135 -87 N +ATOM 81 CA ASP A 11 4.840 5.976 -0.792 1.00 6.86 C +ANISOU 81 CA ASP A 11 860 784 961 25 -98 43 C +ATOM 82 C ASP A 11 4.096 6.403 -2.076 1.00 6.28 C +ANISOU 82 C ASP A 11 765 739 881 40 -30 19 C +ATOM 83 O ASP A 11 3.589 7.505 -2.175 1.00 6.81 O +ANISOU 83 O ASP A 11 884 839 864 54 -109 41 O +ATOM 84 CB ASP A 11 4.123 6.456 0.453 1.00 7.35 C +ANISOU 84 CB ASP A 11 994 941 856 1 -90 81 C +ATOM 85 CG ASP A 11 2.729 5.913 0.627 1.00 7.82 C +ANISOU 85 CG ASP A 11 1101 881 990 -56 18 42 C +ATOM 86 OD1 ASP A 11 2.111 5.451 -0.382 1.00 8.37 O +ANISOU 86 OD1 ASP A 11 1024 994 1161 -86 -130 209 O +ATOM 87 OD2 ASP A 11 2.217 5.952 1.768 1.00 9.59 O +ANISOU 87 OD2 ASP A 11 1287 1267 1090 -230 104 -2 O +ATOM 88 N THR A 12 4.078 5.511 -3.066 1.00 7.15 N +ANISOU 88 N THR A 12 917 879 920 95 -62 -32 N +ATOM 89 CA THR A 12 3.577 5.904 -4.384 1.00 7.38 C +ANISOU 89 CA THR A 12 955 965 883 13 -81 3 C +ATOM 90 C THR A 12 2.081 6.175 -4.364 1.00 6.83 C +ANISOU 90 C THR A 12 943 780 872 -20 -178 -86 C +ATOM 91 O THR A 12 1.607 7.038 -5.112 1.00 7.33 O +ANISOU 91 O THR A 12 994 865 927 18 -33 12 O +ATOM 92 CB THR A 12 3.970 4.949 -5.482 1.00 9.72 C +ANISOU 92 CB THR A 12 1178 1259 1258 184 -142 -325 C +ATOM 93 OG1 THR A 12 3.405 3.712 -5.158 1.00 12.90 O +ANISOU 93 OG1 THR A 12 2087 1245 1569 52 11 -283 O +ATOM 94 CG2 THR A 12 5.443 4.781 -5.620 1.00 14.69 C +ANISOU 94 CG2 THR A 12 1290 2722 1569 444 33 -867 C +ATOM 95 N ALA A 13 1.324 5.461 -3.547 1.00 7.40 N +ANISOU 95 N ALA A 13 868 901 1044 5 -142 125 N +ATOM 96 CA ALA A 13 -0.118 5.693 -3.455 1.00 7.91 C +ANISOU 96 CA ALA A 13 887 991 1127 -39 -123 144 C +ATOM 97 C ALA A 13 -0.403 7.069 -2.871 1.00 7.13 C +ANISOU 97 C ALA A 13 702 944 1065 -73 -78 161 C +ATOM 98 O ALA A 13 -1.226 7.826 -3.401 1.00 7.49 O +ANISOU 98 O ALA A 13 760 1028 1056 -17 -169 145 O +ATOM 99 CB ALA A 13 -0.798 4.616 -2.649 1.00 9.85 C +ANISOU 99 CB ALA A 13 1049 1044 1649 -307 -11 117 C +ATOM 100 N LEU A 14 0.265 7.413 -1.777 1.00 7.04 N +ANISOU 100 N LEU A 14 800 941 933 -50 -20 167 N +ATOM 101 CA LEU A 14 0.083 8.730 -1.179 1.00 6.84 C +ANISOU 101 CA LEU A 14 777 929 894 51 32 112 C +ATOM 102 C LEU A 14 0.504 9.785 -2.186 1.00 6.45 C +ANISOU 102 C LEU A 14 876 881 694 13 36 28 C +ATOM 103 O LEU A 14 -0.192 10.795 -2.384 1.00 7.04 O +ANISOU 103 O LEU A 14 921 964 791 178 -18 104 O +ATOM 104 CB LEU A 14 0.881 8.877 0.110 1.00 7.11 C +ANISOU 104 CB LEU A 14 875 1060 766 92 75 142 C +ATOM 105 CG LEU A 14 0.827 10.261 0.746 1.00 7.49 C +ANISOU 105 CG LEU A 14 953 1099 795 -4 156 118 C +ATOM 106 CD1 LEU A 14 -0.616 10.659 1.073 1.00 9.22 C +ANISOU 106 CD1 LEU A 14 1120 1448 935 263 151 94 C +ATOM 107 CD2 LEU A 14 1.694 10.301 1.980 1.00 8.39 C +ANISOU 107 CD2 LEU A 14 1054 1210 923 -25 11 13 C +ATOM 108 N SER A 15 1.679 9.605 -2.791 1.00 6.36 N +ANISOU 108 N SER A 15 844 858 716 89 14 66 N +ATOM 109 CA SER A 15 2.181 10.616 -3.727 1.00 6.16 C +ANISOU 109 CA SER A 15 826 757 758 -42 -51 5 C +ATOM 110 C SER A 15 1.178 10.896 -4.838 1.00 5.73 C +ANISOU 110 C SER A 15 707 743 726 3 46 13 C +ATOM 111 O SER A 15 0.942 12.032 -5.203 1.00 6.31 O +ANISOU 111 O SER A 15 840 750 809 45 -25 -2 O +ATOM 112 CB SER A 15 3.532 10.142 -4.257 1.00 6.46 C +ANISOU 112 CB SER A 15 852 917 685 -16 -33 18 C +ATOM 113 OG SER A 15 4.133 11.126 -5.083 1.00 6.69 O +ANISOU 113 OG SER A 15 784 882 878 -92 -14 54 O +ATOM 114 N ALA A 16 0.587 9.821 -5.392 1.00 6.06 N +ANISOU 114 N ALA A 16 859 771 671 26 -49 72 N +ATOM 115 CA ALA A 16 -0.375 9.998 -6.484 1.00 6.78 C +ANISOU 115 CA ALA A 16 892 916 769 -42 -98 29 C +ATOM 116 C ALA A 16 -1.615 10.752 -6.028 1.00 6.32 C +ANISOU 116 C ALA A 16 753 854 795 -114 -86 -6 C +ATOM 117 O ALA A 16 -2.174 11.571 -6.773 1.00 7.27 O +ANISOU 117 O ALA A 16 918 870 974 -38 -135 150 O +ATOM 118 CB ALA A 16 -0.764 8.680 -7.090 1.00 7.62 C +ANISOU 118 CB ALA A 16 1023 950 920 15 -119 -32 C +ATOM 119 N ATHR A 17 -2.125 10.442 -4.831 0.75 6.42 N +ANISOU 119 N ATHR A 17 781 670 989 -47 20 107 N +ATOM 120 N BTHR A 17 -2.061 10.490 -4.801 0.25 6.73 N +ANISOU 120 N BTHR A 17 686 1120 751 24 -244 47 N +ATOM 121 CA ATHR A 17 -3.265 11.162 -4.261 0.75 6.62 C +ANISOU 121 CA ATHR A 17 719 889 907 -14 -36 77 C +ATOM 122 CA BTHR A 17 -3.283 11.159 -4.347 0.25 6.81 C +ANISOU 122 CA BTHR A 17 703 1159 725 -92 -171 -44 C +ATOM 123 C ATHR A 17 -2.985 12.644 -4.111 0.75 5.97 C +ANISOU 123 C ATHR A 17 675 846 746 -26 23 38 C +ATOM 124 C BTHR A 17 -3.022 12.609 -3.976 0.25 6.74 C +ANISOU 124 C BTHR A 17 773 1030 758 -105 -86 115 C +ATOM 125 O ATHR A 17 -3.772 13.514 -4.510 0.75 6.27 O +ANISOU 125 O ATHR A 17 768 813 799 43 -12 108 O +ATOM 126 O BTHR A 17 -3.905 13.460 -4.134 0.25 5.55 O +ANISOU 126 O BTHR A 17 532 1113 463 -172 48 208 O +ATOM 127 CB ATHR A 17 -3.664 10.506 -2.914 0.75 6.41 C +ANISOU 127 CB ATHR A 17 663 842 931 -108 -64 64 C +ATOM 128 CB BTHR A 17 -3.919 10.377 -3.186 0.25 7.69 C +ANISOU 128 CB BTHR A 17 465 1245 1214 -175 -255 389 C +ATOM 129 OG1ATHR A 17 -4.204 9.207 -3.250 0.75 7.10 O +ANISOU 129 OG1ATHR A 17 801 799 1096 -105 21 146 O +ATOM 130 OG1BTHR A 17 -5.135 10.992 -2.783 0.25 15.01 O +ANISOU 130 OG1BTHR A 17 1122 2317 2266 469 621 1258 O +ATOM 131 CG2ATHR A 17 -4.674 11.320 -2.143 0.75 7.68 C +ANISOU 131 CG2ATHR A 17 900 1202 815 -34 -6 -80 C +ATOM 132 CG2BTHR A 17 -3.070 10.465 -1.937 0.25 13.90 C +ANISOU 132 CG2BTHR A 17 1365 3010 908 -696 -323 562 C +ATOM 133 N LEU A 18 -1.824 12.941 -3.488 1.00 5.83 N +ANISOU 133 N LEU A 18 710 807 698 30 -55 -11 N +ATOM 134 CA LEU A 18 -1.464 14.334 -3.253 1.00 5.82 C +ANISOU 134 CA LEU A 18 688 816 708 72 -22 -6 C +ATOM 135 C LEU A 18 -1.236 15.068 -4.562 1.00 5.60 C +ANISOU 135 C LEU A 18 659 786 682 11 -74 -33 C +ATOM 136 O LEU A 18 -1.657 16.208 -4.736 1.00 6.28 O +ANISOU 136 O LEU A 18 806 824 756 77 -93 -59 O +ATOM 137 CB LEU A 18 -0.229 14.432 -2.361 1.00 6.23 C +ANISOU 137 CB LEU A 18 704 925 738 8 -64 -47 C +ATOM 138 CG LEU A 18 -0.392 13.791 -0.962 1.00 7.29 C +ANISOU 138 CG LEU A 18 922 1205 643 49 -171 -12 C +ATOM 139 CD1 LEU A 18 0.901 13.990 -0.169 1.00 7.96 C +ANISOU 139 CD1 LEU A 18 947 1304 774 87 -145 63 C +ATOM 140 CD2 LEU A 18 -1.602 14.360 -0.222 1.00 8.70 C +ANISOU 140 CD2 LEU A 18 997 1627 680 -54 87 4 C +ATOM 141 N ARG A 19 -0.572 14.398 -5.517 1.00 5.71 N +ANISOU 141 N ARG A 19 709 758 701 35 -98 39 N +ATOM 142 CA ARG A 19 -0.393 14.993 -6.833 1.00 5.59 C +ANISOU 142 CA ARG A 19 672 720 734 8 -30 25 C +ATOM 143 C ARG A 19 -1.737 15.348 -7.454 1.00 5.60 C +ANISOU 143 C ARG A 19 656 767 705 -19 -23 0 C +ATOM 144 O ARG A 19 -1.900 16.423 -8.029 1.00 5.97 O +ANISOU 144 O ARG A 19 689 791 790 11 -54 81 O +ATOM 145 CB ARG A 19 0.388 14.040 -7.749 1.00 5.91 C +ANISOU 145 CB ARG A 19 760 774 712 -47 -20 48 C +ATOM 146 CG ARG A 19 0.375 14.479 -9.214 1.00 5.93 C +ANISOU 146 CG ARG A 19 703 860 689 -1 -27 -4 C +ATOM 147 CD ARG A 19 1.406 13.715 -9.999 1.00 6.27 C +ANISOU 147 CD ARG A 19 754 908 720 23 -49 16 C +ATOM 148 NE ARG A 19 1.396 14.102 -11.403 1.00 6.62 N +ANISOU 148 NE ARG A 19 738 1021 756 72 -39 36 N +ATOM 149 CZ ARG A 19 2.311 13.703 -12.261 1.00 7.41 C +ANISOU 149 CZ ARG A 19 942 1131 741 79 43 115 C +ATOM 150 NH1 ARG A 19 3.296 12.877 -11.894 1.00 8.04 N +ANISOU 150 NH1 ARG A 19 976 1302 778 243 122 128 N +ATOM 151 NH2 ARG A 19 2.278 14.125 -13.535 1.00 9.18 N +ANISOU 151 NH2 ARG A 19 1274 1409 804 289 42 147 N +ATOM 152 N ASER A 20 -2.710 14.431 -7.374 0.70 5.50 N +ANISOU 152 N ASER A 20 667 700 722 53 -3 -21 N +ATOM 153 N BSER A 20 -2.687 14.429 -7.306 0.30 6.66 N +ANISOU 153 N BSER A 20 712 1024 795 -106 -254 361 N +ATOM 154 CA ASER A 20 -4.000 14.714 -8.003 0.70 6.03 C +ANISOU 154 CA ASER A 20 614 791 885 -28 -67 -18 C +ATOM 155 CA BSER A 20 -3.993 14.588 -7.933 0.30 5.91 C +ANISOU 155 CA BSER A 20 685 1016 542 -47 -187 93 C +ATOM 156 C ASER A 20 -4.712 15.887 -7.352 0.70 5.72 C +ANISOU 156 C ASER A 20 594 744 837 22 -21 81 C +ATOM 157 C BSER A 20 -4.742 15.767 -7.326 0.30 6.89 C +ANISOU 157 C BSER A 20 689 1092 839 -78 -198 -106 C +ATOM 158 O ASER A 20 -5.288 16.723 -8.039 0.70 6.20 O +ANISOU 158 O ASER A 20 737 757 863 -11 -86 100 O +ATOM 159 O BSER A 20 -5.360 16.510 -8.087 0.30 6.49 O +ANISOU 159 O BSER A 20 750 950 767 -86 -139 -138 O +ATOM 160 CB ASER A 20 -4.864 13.472 -7.946 0.70 6.70 C +ANISOU 160 CB ASER A 20 808 824 913 -85 -4 22 C +ATOM 161 CB BSER A 20 -4.781 13.281 -7.848 0.30 7.37 C +ANISOU 161 CB BSER A 20 894 1021 886 -122 -399 116 C +ATOM 162 OG ASER A 20 -4.361 12.410 -8.707 0.70 7.31 O +ANISOU 162 OG ASER A 20 926 856 997 -30 -198 -106 O +ATOM 163 OG BSER A 20 -5.923 13.356 -8.692 0.30 6.83 O +ANISOU 163 OG BSER A 20 517 963 1116 -15 -145 118 O +ATOM 164 N ALA A 21 -4.693 15.977 -6.017 1.00 6.26 N +ANISOU 164 N ALA A 21 709 866 805 -17 5 21 N +ATOM 165 CA ALA A 21 -5.304 17.123 -5.360 1.00 6.85 C +ANISOU 165 CA ALA A 21 664 1050 890 45 27 -14 C +ATOM 166 C ALA A 21 -4.655 18.437 -5.814 1.00 6.28 C +ANISOU 166 C ALA A 21 746 947 695 30 -30 -45 C +ATOM 167 O ALA A 21 -5.337 19.423 -6.109 1.00 7.08 O +ANISOU 167 O ALA A 21 735 967 988 128 -48 -2 O +ATOM 168 CB ALA A 21 -5.221 16.975 -3.854 1.00 8.01 C +ANISOU 168 CB ALA A 21 1023 1133 886 -34 140 -48 C +ATOM 169 N LEU A 22 -3.319 18.438 -5.834 1.00 5.98 N +ANISOU 169 N LEU A 22 692 832 750 57 -31 3 N +ATOM 170 CA LEU A 22 -2.587 19.657 -6.240 1.00 6.08 C +ANISOU 170 CA LEU A 22 765 817 730 44 -51 42 C +ATOM 171 C LEU A 22 -2.852 19.995 -7.716 1.00 5.93 C +ANISOU 171 C LEU A 22 702 786 766 45 -127 11 C +ATOM 172 O LEU A 22 -2.988 21.167 -8.062 1.00 6.77 O +ANISOU 172 O LEU A 22 867 815 892 69 -200 23 O +ATOM 173 CB LEU A 22 -1.110 19.465 -5.941 1.00 6.25 C +ANISOU 173 CB LEU A 22 748 809 817 78 -69 -10 C +ATOM 174 CG LEU A 22 -0.758 19.465 -4.440 1.00 6.72 C +ANISOU 174 CG LEU A 22 806 920 828 58 -236 -52 C +ATOM 175 CD1 LEU A 22 0.615 18.814 -4.236 1.00 7.75 C +ANISOU 175 CD1 LEU A 22 818 993 1134 52 -272 -11 C +ATOM 176 CD2 LEU A 22 -0.774 20.878 -3.877 1.00 7.41 C +ANISOU 176 CD2 LEU A 22 933 926 956 51 -193 -148 C +ATOM 177 N GLU A 23 -2.900 18.959 -8.569 1.00 6.18 N +ANISOU 177 N GLU A 23 759 831 758 90 -159 12 N +ATOM 178 CA GLU A 23 -3.215 19.221 -9.979 1.00 6.13 C +ANISOU 178 CA GLU A 23 697 822 809 26 -126 46 C +ATOM 179 C GLU A 23 -4.624 19.780 -10.128 1.00 6.02 C +ANISOU 179 C GLU A 23 732 780 775 107 -97 -40 C +ATOM 180 O GLU A 23 -4.846 20.670 -10.955 1.00 6.57 O +ANISOU 180 O GLU A 23 759 951 787 110 -105 25 O +ATOM 181 CB GLU A 23 -3.076 17.920 -10.796 1.00 6.32 C +ANISOU 181 CB GLU A 23 697 912 791 72 -23 -34 C +ATOM 182 CG GLU A 23 -1.636 17.538 -11.062 1.00 6.59 C +ANISOU 182 CG GLU A 23 724 925 854 111 -70 61 C +ATOM 183 CD GLU A 23 -1.460 16.225 -11.783 1.00 6.73 C +ANISOU 183 CD GLU A 23 856 932 768 192 -33 29 C +ATOM 184 OE1 GLU A 23 -2.333 15.319 -11.661 1.00 7.55 O +ANISOU 184 OE1 GLU A 23 877 1029 963 39 -5 -95 O +ATOM 185 OE2 GLU A 23 -0.381 16.066 -12.435 1.00 7.29 O +ANISOU 185 OE2 GLU A 23 869 1095 805 160 57 60 O +ATOM 186 N GLY A 24 -5.578 19.246 -9.368 1.00 6.25 N +ANISOU 186 N GLY A 24 727 850 797 106 -110 17 N +ATOM 187 CA GLY A 24 -6.944 19.771 -9.447 1.00 6.67 C +ANISOU 187 CA GLY A 24 742 926 868 154 -58 -78 C +ATOM 188 C GLY A 24 -7.046 21.216 -9.050 1.00 6.69 C +ANISOU 188 C GLY A 24 791 891 861 123 -82 -50 C +ATOM 189 O GLY A 24 -7.925 21.936 -9.517 1.00 8.34 O +ANISOU 189 O GLY A 24 988 1015 1167 288 -311 -202 O +ATOM 190 N ARG A 25 -6.132 21.705 -8.185 1.00 6.77 N +ANISOU 190 N ARG A 25 818 867 887 147 -121 -19 N +ATOM 191 CA ARG A 25 -6.086 23.105 -7.821 1.00 7.19 C +ANISOU 191 CA ARG A 25 889 851 992 89 -123 -97 C +ATOM 192 C ARG A 25 -5.410 23.944 -8.875 1.00 7.83 C +ANISOU 192 C ARG A 25 1045 874 1056 112 -269 23 C +ATOM 193 O ARG A 25 -5.534 25.177 -8.867 1.00 9.83 O +ANISOU 193 O ARG A 25 1540 895 1298 138 -203 86 O +ATOM 194 CB ARG A 25 -5.418 23.264 -6.456 1.00 7.47 C +ANISOU 194 CB ARG A 25 977 918 942 61 -220 -57 C +ATOM 195 CG ARG A 25 -5.444 24.662 -5.887 1.00 8.16 C +ANISOU 195 CG ARG A 25 1135 959 1006 205 -270 -146 C +ATOM 196 CD ARG A 25 -6.809 25.175 -5.676 1.00 10.38 C +ANISOU 196 CD ARG A 25 1138 1248 1558 55 -43 -426 C +ATOM 197 NE ARG A 25 -6.983 26.559 -5.245 1.00 10.77 N +ANISOU 197 NE ARG A 25 1024 1244 1822 67 81 -486 N +ATOM 198 CZ ARG A 25 -6.988 27.598 -6.050 1.00 12.67 C +ANISOU 198 CZ ARG A 25 1248 1269 2298 61 -432 -303 C +ATOM 199 NH1 ARG A 25 -6.657 27.460 -7.328 1.00 13.80 N +ANISOU 199 NH1 ARG A 25 1655 1363 2225 127 -327 127 N +ATOM 200 NH2 ARG A 25 -7.282 28.816 -5.646 1.00 16.07 N +ANISOU 200 NH2 ARG A 25 1202 1366 3537 321 -358 -578 N +ATOM 201 N GLY A 26 -4.649 23.324 -9.787 1.00 8.08 N +ANISOU 201 N GLY A 26 1035 986 1047 147 -120 159 N +ATOM 202 CA GLY A 26 -3.989 23.987 -10.889 1.00 9.05 C +ANISOU 202 CA GLY A 26 1187 1125 1127 88 -236 316 C +ATOM 203 C GLY A 26 -2.482 23.994 -10.848 1.00 9.42 C +ANISOU 203 C GLY A 26 1144 1107 1327 1 -97 441 C +ATOM 204 O GLY A 26 -1.854 24.677 -11.669 1.00 12.15 O +ANISOU 204 O GLY A 26 1388 1710 1519 -99 -98 789 O +ATOM 205 N PHE A 27 -1.856 23.300 -9.902 1.00 7.87 N +ANISOU 205 N PHE A 27 990 971 1032 30 -105 120 N +ATOM 206 CA PHE A 27 -0.411 23.217 -9.890 1.00 8.13 C +ANISOU 206 CA PHE A 27 931 964 1196 -77 -138 180 C +ATOM 207 C PHE A 27 0.062 22.213 -10.936 1.00 7.80 C +ANISOU 207 C PHE A 27 921 965 1077 -54 -149 152 C +ATOM 208 O PHE A 27 -0.624 21.240 -11.224 1.00 8.15 O +ANISOU 208 O PHE A 27 909 1157 1033 -121 -42 11 O +ATOM 209 CB PHE A 27 0.099 22.784 -8.507 1.00 8.14 C +ANISOU 209 CB PHE A 27 1051 976 1067 26 -162 100 C +ATOM 210 CG PHE A 27 -0.187 23.789 -7.410 1.00 8.39 C +ANISOU 210 CG PHE A 27 1055 939 1194 -7 -284 53 C +ATOM 211 CD1 PHE A 27 0.631 24.924 -7.299 1.00 9.98 C +ANISOU 211 CD1 PHE A 27 1170 1092 1530 -140 -264 -45 C +ATOM 212 CD2 PHE A 27 -1.217 23.621 -6.521 1.00 8.19 C +ANISOU 212 CD2 PHE A 27 1090 901 1121 81 -213 -5 C +ATOM 213 CE1 PHE A 27 0.415 25.839 -6.312 1.00 11.01 C +ANISOU 213 CE1 PHE A 27 1241 1154 1786 -132 -230 -250 C +ATOM 214 CE2 PHE A 27 -1.423 24.534 -5.511 1.00 9.50 C +ANISOU 214 CE2 PHE A 27 1385 983 1240 121 -183 -4 C +ATOM 215 CZ PHE A 27 -0.598 25.644 -5.404 1.00 10.42 C +ANISOU 215 CZ PHE A 27 1310 1105 1545 18 -311 -162 C +ATOM 216 N THR A 28 1.293 22.410 -11.454 1.00 8.17 N +ANISOU 216 N THR A 28 895 1002 1207 -62 -126 232 N +ATOM 217 CA THR A 28 1.992 21.385 -12.223 1.00 7.96 C +ANISOU 217 CA THR A 28 834 1226 966 -1 -161 271 C +ATOM 218 C THR A 28 2.811 20.596 -11.220 1.00 7.59 C +ANISOU 218 C THR A 28 885 1077 920 -59 -131 181 C +ATOM 219 O THR A 28 3.486 21.202 -10.396 1.00 10.33 O +ANISOU 219 O THR A 28 1562 952 1412 -47 -764 133 O +ATOM 220 CB THR A 28 2.877 22.001 -13.334 1.00 10.89 C +ANISOU 220 CB THR A 28 1098 1828 1210 43 4 611 C +ATOM 221 OG1 THR A 28 1.989 22.587 -14.272 1.00 13.64 O +ANISOU 221 OG1 THR A 28 1534 2213 1435 265 -66 877 O +ATOM 222 CG2 THR A 28 3.691 20.933 -14.045 1.00 14.75 C +ANISOU 222 CG2 THR A 28 1379 2332 1892 277 518 460 C +ATOM 223 N VAL A 29 2.746 19.273 -11.291 1.00 6.85 N +ANISOU 223 N VAL A 29 761 1094 749 -104 -120 126 N +ATOM 224 CA VAL A 29 3.311 18.442 -10.235 1.00 6.26 C +ANISOU 224 CA VAL A 29 763 886 728 -57 -135 61 C +ATOM 225 C VAL A 29 4.140 17.325 -10.829 1.00 6.82 C +ANISOU 225 C VAL A 29 811 1045 734 -117 -97 -6 C +ATOM 226 O VAL A 29 3.666 16.623 -11.710 1.00 9.20 O +ANISOU 226 O VAL A 29 938 1458 1098 49 -284 -419 O +ATOM 227 CB VAL A 29 2.182 17.850 -9.327 1.00 6.66 C +ANISOU 227 CB VAL A 29 812 983 734 -97 -88 34 C +ATOM 228 CG1 VAL A 29 2.802 17.053 -8.209 1.00 7.69 C +ANISOU 228 CG1 VAL A 29 859 1246 816 -169 -120 240 C +ATOM 229 CG2 VAL A 29 1.242 18.914 -8.828 1.00 7.58 C +ANISOU 229 CG2 VAL A 29 855 1220 803 -63 -4 133 C +ATOM 230 N ASP A 30 5.341 17.146 -10.275 1.00 6.26 N +ANISOU 230 N ASP A 30 855 842 680 -12 -74 -49 N +ATOM 231 CA ASP A 30 6.172 16.007 -10.577 1.00 6.54 C +ANISOU 231 CA ASP A 30 1029 780 678 28 -2 -31 C +ATOM 232 C ASP A 30 6.385 15.215 -9.284 1.00 5.76 C +ANISOU 232 C ASP A 30 779 750 659 -97 -40 -18 C +ATOM 233 O ASP A 30 6.171 15.732 -8.186 1.00 6.40 O +ANISOU 233 O ASP A 30 923 849 660 144 -99 -75 O +ATOM 234 CB ASP A 30 7.509 16.432 -11.185 1.00 7.60 C +ANISOU 234 CB ASP A 30 1168 987 733 65 142 96 C +ATOM 235 CG ASP A 30 8.236 15.304 -11.853 1.00 9.73 C +ANISOU 235 CG ASP A 30 1406 1234 1058 173 303 -62 C +ATOM 236 OD1 ASP A 30 7.647 14.247 -12.185 1.00 11.16 O +ANISOU 236 OD1 ASP A 30 1988 1217 1035 227 147 -120 O +ATOM 237 OD2 ASP A 30 9.460 15.463 -12.062 1.00 14.40 O +ANISOU 237 OD2 ASP A 30 1588 1671 2213 175 761 -258 O +ATOM 238 N GLU A 31 6.833 13.970 -9.438 1.00 6.01 N +ANISOU 238 N GLU A 31 824 855 606 1 -46 -68 N +ATOM 239 CA GLU A 31 7.017 13.040 -8.324 1.00 5.65 C +ANISOU 239 CA GLU A 31 689 812 647 27 12 4 C +ATOM 240 C GLU A 31 8.380 12.369 -8.443 1.00 5.75 C +ANISOU 240 C GLU A 31 710 805 671 -23 -8 -101 C +ATOM 241 O GLU A 31 8.798 11.997 -9.563 1.00 6.82 O +ANISOU 241 O GLU A 31 884 1039 670 59 30 -102 O +ATOM 242 CB GLU A 31 5.976 11.915 -8.384 1.00 6.25 C +ANISOU 242 CB GLU A 31 710 990 674 3 24 7 C +ATOM 243 CG GLU A 31 4.549 12.460 -8.196 1.00 6.55 C +ANISOU 243 CG GLU A 31 682 966 842 16 -21 -61 C +ATOM 244 CD GLU A 31 3.557 11.332 -8.440 1.00 6.20 C +ANISOU 244 CD GLU A 31 664 847 844 24 -106 -11 C +ATOM 245 OE1 GLU A 31 3.292 11.039 -9.659 1.00 6.88 O +ANISOU 245 OE1 GLU A 31 843 996 775 -19 -78 -64 O +ATOM 246 OE2 GLU A 31 3.064 10.716 -7.467 1.00 7.11 O +ANISOU 246 OE2 GLU A 31 869 1060 773 -92 -42 58 O +ATOM 247 N THR A 32 9.019 12.121 -7.330 1.00 5.79 N +ANISOU 247 N THR A 32 733 805 662 68 -28 -142 N +ATOM 248 CA THR A 32 10.200 11.256 -7.282 1.00 5.62 C +ANISOU 248 CA THR A 32 740 703 693 112 20 -123 C +ATOM 249 C THR A 32 10.157 10.424 -6.006 1.00 5.49 C +ANISOU 249 C THR A 32 647 742 696 5 58 -164 C +ATOM 250 O THR A 32 9.888 10.926 -4.923 1.00 5.78 O +ANISOU 250 O THR A 32 851 691 655 40 70 -87 O +ATOM 251 CB THR A 32 11.504 12.079 -7.352 1.00 5.94 C +ANISOU 251 CB THR A 32 771 809 676 35 47 -46 C +ATOM 252 OG1 THR A 32 12.596 11.134 -7.306 1.00 6.11 O +ANISOU 252 OG1 THR A 32 730 803 790 -10 34 -144 O +ATOM 253 CG2 THR A 32 11.679 13.082 -6.251 1.00 6.25 C +ANISOU 253 CG2 THR A 32 786 796 792 -4 -17 -76 C +ATOM 254 N THR A 33 10.488 9.136 -6.168 1.00 5.71 N +ANISOU 254 N THR A 33 818 714 637 -62 55 -134 N +ATOM 255 CA THR A 33 10.632 8.231 -5.063 1.00 6.40 C +ANISOU 255 CA THR A 33 904 725 804 -65 167 -114 C +ATOM 256 C THR A 33 12.047 8.167 -4.526 1.00 7.00 C +ANISOU 256 C THR A 33 1050 646 964 -17 -11 -49 C +ATOM 257 O THR A 33 12.300 7.432 -3.549 1.00 8.87 O +ANISOU 257 O THR A 33 1313 864 1193 55 -111 173 O +ATOM 258 CB THR A 33 10.203 6.802 -5.430 1.00 6.95 C +ANISOU 258 CB THR A 33 899 729 1011 -35 229 -270 C +ATOM 259 OG1 THR A 33 11.176 6.331 -6.390 1.00 7.71 O +ANISOU 259 OG1 THR A 33 908 805 1217 -113 304 -351 O +ATOM 260 CG2 THR A 33 8.806 6.753 -5.985 1.00 7.86 C +ANISOU 260 CG2 THR A 33 913 753 1321 -173 227 -206 C +ATOM 261 N ASP A 34 12.985 8.903 -5.141 1.00 6.71 N +ANISOU 261 N ASP A 34 853 734 964 38 -72 -61 N +ATOM 262 CA ASP A 34 14.422 8.743 -4.933 1.00 7.30 C +ANISOU 262 CA ASP A 34 907 813 1055 28 -134 -106 C +ATOM 263 C ASP A 34 14.984 9.860 -4.102 1.00 7.15 C +ANISOU 263 C ASP A 34 825 863 1028 -37 -52 -10 C +ATOM 264 O ASP A 34 15.366 10.923 -4.590 1.00 8.22 O +ANISOU 264 O ASP A 34 1144 1054 925 -275 -153 69 O +ATOM 265 CB ASP A 34 15.083 8.677 -6.305 1.00 8.63 C +ANISOU 265 CB ASP A 34 854 1202 1224 72 -80 -298 C +ATOM 266 CG ASP A 34 16.573 8.477 -6.317 1.00 9.90 C +ANISOU 266 CG ASP A 34 953 1349 1461 112 -73 -250 C +ATOM 267 OD1 ASP A 34 17.232 8.517 -5.276 1.00 14.16 O +ANISOU 267 OD1 ASP A 34 1024 2729 1626 382 -289 -395 O +ATOM 268 OD2 ASP A 34 17.113 8.296 -7.411 1.00 11.33 O +ANISOU 268 OD2 ASP A 34 987 1782 1535 116 97 -4 O +ATOM 269 N AGLY A 35 15.036 9.655 -2.763 0.50 6.72 N +ANISOU 269 N AGLY A 35 795 813 945 -52 106 -39 N +ATOM 270 N BGLY A 35 14.934 9.675 -2.773 0.50 8.54 N +ANISOU 270 N BGLY A 35 1282 1005 958 -302 -302 115 N +ATOM 271 CA AGLY A 35 15.650 10.651 -1.907 0.50 7.29 C +ANISOU 271 CA AGLY A 35 1016 852 900 -51 -25 76 C +ATOM 272 CA BGLY A 35 15.288 10.779 -1.897 0.50 8.87 C +ANISOU 272 CA BGLY A 35 1205 1187 978 -303 -196 35 C +ATOM 273 C AGLY A 35 17.099 10.954 -2.221 0.50 6.97 C +ANISOU 273 C AGLY A 35 965 844 841 -62 1 -84 C +ATOM 274 C BGLY A 35 16.698 11.264 -2.130 0.50 9.78 C +ANISOU 274 C BGLY A 35 1209 1417 1092 -390 -262 136 C +ATOM 275 O AGLY A 35 17.489 12.121 -2.193 0.50 7.41 O +ANISOU 275 O AGLY A 35 948 851 1016 -41 -142 -20 O +ATOM 276 O BGLY A 35 16.953 12.473 -2.172 0.50 11.06 O +ANISOU 276 O BGLY A 35 1509 1495 1199 -574 -223 -96 O +ATOM 277 N ALYS A 36 17.870 9.926 -2.554 0.50 7.96 N +ANISOU 277 N ALYS A 36 884 833 1309 31 -285 9 N +ATOM 278 N BLYS A 36 17.631 10.337 -2.322 0.50 11.70 N +ANISOU 278 N BLYS A 36 1171 1605 1670 -332 -125 287 N +ATOM 279 CA ALYS A 36 19.294 10.136 -2.814 0.50 8.93 C +ANISOU 279 CA ALYS A 36 925 747 1721 107 -141 -29 C +ATOM 280 CA BLYS A 36 19.019 10.746 -2.494 0.50 12.98 C +ANISOU 280 CA BLYS A 36 1072 1954 1906 -263 -452 514 C +ATOM 281 C ALYS A 36 19.538 11.115 -3.938 0.50 9.90 C +ANISOU 281 C ALYS A 36 745 910 2105 173 -146 190 C +ATOM 282 C BLYS A 36 19.210 11.579 -3.745 0.50 13.65 C +ANISOU 282 C BLYS A 36 898 2127 2160 -573 -563 744 C +ATOM 283 O ALYS A 36 20.481 11.901 -3.961 0.50 11.77 O +ANISOU 283 O ALYS A 36 939 1214 2319 -25 -102 335 O +ATOM 284 O BLYS A 36 19.907 12.582 -3.743 0.50 20.01 O +ANISOU 284 O BLYS A 36 1915 3091 2596 -1631 -578 787 O +ATOM 285 CB ALYS A 36 19.961 8.800 -3.102 0.50 11.77 C +ANISOU 285 CB ALYS A 36 1418 850 2203 359 43 131 C +ATOM 286 CB BLYS A 36 19.900 9.487 -2.509 0.50 15.65 C +ANISOU 286 CB BLYS A 36 1143 2002 2800 -183 -607 663 C +ATOM 287 CG ALYS A 36 21.424 8.912 -3.517 0.50 16.80 C +ANISOU 287 CG ALYS A 36 1499 1230 3655 306 388 -644 C +ATOM 288 CG BLYS A 36 21.236 9.788 -3.180 0.50 21.40 C +ANISOU 288 CG BLYS A 36 1320 2851 3962 108 48 329 C +ATOM 289 CD ALYS A 36 22.302 8.027 -2.675 0.50 25.54 C +ANISOU 289 CD ALYS A 36 1474 3275 4956 426 -701 -167 C +ATOM 290 CD BLYS A 36 22.418 9.254 -2.424 0.50 19.38 C +ANISOU 290 CD BLYS A 36 1377 1412 4575 372 -333 -615 C +ATOM 291 CE ALYS A 36 23.789 8.270 -2.964 0.50 27.76 C +ANISOU 291 CE ALYS A 36 1656 3843 5049 -262 -893 205 C +ATOM 292 CE BLYS A 36 23.723 9.443 -3.191 0.50 21.11 C +ANISOU 292 CE BLYS A 36 1438 2103 4481 549 -235 -886 C +ATOM 293 NZ ALYS A 36 24.152 9.601 -2.363 0.50 27.72 N +ANISOU 293 NZ ALYS A 36 1881 2738 5914 175 -365 816 N +ATOM 294 NZ BLYS A 36 24.961 9.118 -2.421 0.50 27.27 N +ANISOU 294 NZ BLYS A 36 1445 4868 4047 23 -74 614 N +ATOM 295 N GLY A 37 18.603 11.158 -4.868 1.00 10.03 N +ANISOU 295 N GLY A 37 964 1199 1647 -69 85 313 N +ATOM 296 CA GLY A 37 18.691 11.942 -6.080 1.00 9.48 C +ANISOU 296 CA GLY A 37 968 995 1639 95 271 177 C +ATOM 297 C GLY A 37 17.996 13.283 -6.033 1.00 8.01 C +ANISOU 297 C GLY A 37 946 938 1158 -125 29 -39 C +ATOM 298 O GLY A 37 18.106 14.093 -6.967 1.00 8.23 O +ANISOU 298 O GLY A 37 1012 911 1207 -10 211 14 O +ATOM 299 N SER A 38 17.212 13.532 -4.992 1.00 8.17 N +ANISOU 299 N SER A 38 1081 872 1152 -97 133 -35 N +ATOM 300 CA SER A 38 16.268 14.643 -5.018 1.00 8.05 C +ANISOU 300 CA SER A 38 1010 883 1166 -156 158 -95 C +ATOM 301 C SER A 38 16.927 16.021 -5.004 1.00 7.71 C +ANISOU 301 C SER A 38 865 867 1196 -68 147 -100 C +ATOM 302 O SER A 38 16.416 16.913 -5.680 1.00 8.21 O +ANISOU 302 O SER A 38 943 957 1221 -109 11 -38 O +ATOM 303 CB SER A 38 15.296 14.512 -3.851 1.00 9.89 C +ANISOU 303 CB SER A 38 1261 1183 1315 -357 404 -243 C +ATOM 304 OG SER A 38 15.858 14.642 -2.583 1.00 12.03 O +ANISOU 304 OG SER A 38 1938 1400 1231 -634 456 -408 O +ATOM 305 N VAL A 39 18.023 16.198 -4.280 1.00 8.08 N +ANISOU 305 N VAL A 39 918 770 1381 -57 -6 36 N +ATOM 306 CA VAL A 39 18.641 17.539 -4.280 1.00 8.26 C +ANISOU 306 CA VAL A 39 939 815 1385 -160 25 -6 C +ATOM 307 C VAL A 39 19.089 17.926 -5.661 1.00 8.33 C +ANISOU 307 C VAL A 39 855 858 1452 -167 14 -42 C +ATOM 308 O VAL A 39 18.850 19.048 -6.120 1.00 8.72 O +ANISOU 308 O VAL A 39 1040 777 1496 -127 54 66 O +ATOM 309 CB VAL A 39 19.753 17.614 -3.240 1.00 9.52 C +ANISOU 309 CB VAL A 39 997 1052 1567 -164 -142 26 C +ATOM 310 CG1 VAL A 39 20.545 18.904 -3.356 1.00 11.06 C +ANISOU 310 CG1 VAL A 39 1358 1144 1698 -337 -326 29 C +ATOM 311 CG2 VAL A 39 19.183 17.459 -1.846 1.00 11.87 C +ANISOU 311 CG2 VAL A 39 1626 1390 1495 -374 -162 25 C +ATOM 312 N GLU A 40 19.763 17.012 -6.348 1.00 8.85 N +ANISOU 312 N GLU A 40 963 914 1484 -23 128 26 N +ATOM 313 CA GLU A 40 20.242 17.344 -7.683 1.00 9.81 C +ANISOU 313 CA GLU A 40 1153 1007 1568 -68 275 49 C +ATOM 314 C GLU A 40 19.083 17.459 -8.650 1.00 9.17 C +ANISOU 314 C GLU A 40 1301 937 1245 -101 301 -27 C +ATOM 315 O GLU A 40 19.148 18.263 -9.606 1.00 11.16 O +ANISOU 315 O GLU A 40 1510 1203 1528 -214 220 168 O +ATOM 316 CB GLU A 40 21.321 16.410 -8.124 1.00 12.50 C +ANISOU 316 CB GLU A 40 1333 1382 2034 134 450 -103 C +ATOM 317 CG GLU A 40 22.599 16.557 -7.258 1.00 14.15 C +ANISOU 317 CG GLU A 40 1154 1432 2792 116 278 241 C +ATOM 318 CD GLU A 40 23.114 17.968 -7.165 1.00 17.56 C +ANISOU 318 CD GLU A 40 1384 1659 3629 -93 -291 353 C +ATOM 319 OE1 GLU A 40 23.239 18.648 -8.232 1.00 19.11 O +ANISOU 319 OE1 GLU A 40 1829 1497 3934 -167 860 318 O +ATOM 320 OE2 GLU A 40 23.407 18.443 -6.037 1.00 20.88 O +ANISOU 320 OE2 GLU A 40 2173 1706 4056 -75 -755 76 O +ATOM 321 N GLN A 41 17.984 16.733 -8.458 1.00 9.03 N +ANISOU 321 N GLN A 41 1259 972 1199 -128 229 -64 N +ATOM 322 CA GLN A 41 16.797 16.928 -9.293 1.00 9.66 C +ANISOU 322 CA GLN A 41 1428 1039 1203 -219 193 -74 C +ATOM 323 C GLN A 41 16.197 18.315 -9.088 1.00 9.49 C +ANISOU 323 C GLN A 41 1371 1077 1157 -189 -24 119 C +ATOM 324 O GLN A 41 15.830 18.994 -10.037 1.00 11.09 O +ANISOU 324 O GLN A 41 1469 1421 1325 -124 -92 217 O +ATOM 325 CB GLN A 41 15.804 15.823 -9.015 1.00 9.98 C +ANISOU 325 CB GLN A 41 1523 1133 1137 -244 14 -47 C +ATOM 326 CG GLN A 41 14.574 15.958 -9.875 1.00 10.73 C +ANISOU 326 CG GLN A 41 1612 1274 1190 -217 -112 -110 C +ATOM 327 CD GLN A 41 13.764 14.707 -10.132 1.00 11.28 C +ANISOU 327 CD GLN A 41 1613 1415 1258 -272 -217 -47 C +ATOM 328 OE1 GLN A 41 12.525 14.886 -10.399 1.00 14.23 O +ANISOU 328 OE1 GLN A 41 1409 2148 1851 -172 115 -420 O +ATOM 329 NE2 GLN A 41 14.337 13.548 -10.179 1.00 12.53 N +ANISOU 329 NE2 GLN A 41 1757 1118 1884 -330 -800 49 N +ATOM 330 N ILE A 42 16.117 18.761 -7.853 1.00 8.86 N +ANISOU 330 N ILE A 42 1034 1122 1211 -113 46 22 N +ATOM 331 CA ILE A 42 15.652 20.126 -7.543 1.00 8.95 C +ANISOU 331 CA ILE A 42 1018 1054 1328 48 -61 115 C +ATOM 332 C ILE A 42 16.576 21.141 -8.160 1.00 9.57 C +ANISOU 332 C ILE A 42 1118 1126 1392 61 22 171 C +ATOM 333 O ILE A 42 16.114 22.207 -8.623 1.00 12.00 O +ANISOU 333 O ILE A 42 1367 1325 1866 225 274 447 O +ATOM 334 CB ILE A 42 15.524 20.277 -6.033 1.00 8.47 C +ANISOU 334 CB ILE A 42 975 969 1276 -13 -19 37 C +ATOM 335 CG1 ILE A 42 14.388 19.394 -5.501 1.00 8.63 C +ANISOU 335 CG1 ILE A 42 846 1121 1310 -68 9 -123 C +ATOM 336 CG2 ILE A 42 15.360 21.736 -5.579 1.00 10.00 C +ANISOU 336 CG2 ILE A 42 1234 998 1567 64 -76 31 C +ATOM 337 CD1 ILE A 42 14.438 19.118 -4.030 1.00 8.50 C +ANISOU 337 CD1 ILE A 42 854 1035 1342 -40 85 -35 C +ATOM 338 N ARG A 43 17.868 20.902 -8.183 1.00 10.02 N +ANISOU 338 N ARG A 43 1215 855 1738 -98 190 214 N +ATOM 339 CA ARG A 43 18.805 21.837 -8.846 1.00 10.61 C +ANISOU 339 CA ARG A 43 1298 950 1784 -57 347 153 C +ATOM 340 C ARG A 43 18.544 21.939 -10.332 1.00 11.76 C +ANISOU 340 C ARG A 43 1483 1156 1828 -49 213 417 C +ATOM 341 O ARG A 43 18.554 23.033 -10.860 1.00 13.43 O +ANISOU 341 O ARG A 43 1698 1248 2157 -168 140 554 O +ATOM 342 CB ARG A 43 20.238 21.419 -8.537 1.00 10.41 C +ANISOU 342 CB ARG A 43 1259 927 1768 -141 273 149 C +ATOM 343 CG ARG A 43 21.232 22.512 -8.953 1.00 12.21 C +ANISOU 343 CG ARG A 43 1438 1187 2012 -347 307 30 C +ATOM 344 CD ARG A 43 22.673 22.061 -8.829 1.00 13.84 C +ANISOU 344 CD ARG A 43 1347 1493 2419 -408 423 58 C +ATOM 345 NE ARG A 43 22.951 21.445 -7.548 1.00 14.55 N +ANISOU 345 NE ARG A 43 1322 1366 2840 -252 196 333 N +ATOM 346 CZ ARG A 43 22.997 22.015 -6.360 1.00 15.86 C +ANISOU 346 CZ ARG A 43 1793 1569 2664 -505 -234 413 C +ATOM 347 NH1 ARG A 43 22.872 23.325 -6.273 1.00 16.69 N +ANISOU 347 NH1 ARG A 43 2328 1511 2501 -523 -38 305 N +ATOM 348 NH2 ARG A 43 23.192 21.218 -5.290 1.00 18.21 N +ANISOU 348 NH2 ARG A 43 2005 1908 3006 -553 -343 718 N +ATOM 349 N AARG A 44 18.364 20.784 -10.967 0.50 10.53 N +ANISOU 349 N AARG A 44 1087 1280 1634 -56 355 329 N +ATOM 350 N BARG A 44 18.369 20.811 -11.012 0.50 15.07 N +ANISOU 350 N BARG A 44 2743 1267 1715 -91 -97 403 N +ATOM 351 CA AARG A 44 18.126 20.875 -12.418 0.50 13.69 C +ANISOU 351 CA AARG A 44 1716 1858 1627 194 284 365 C +ATOM 352 CA BARG A 44 18.254 20.650 -12.459 0.50 13.81 C +ANISOU 352 CA BARG A 44 1788 1731 1727 -169 319 226 C +ATOM 353 C AARG A 44 16.736 21.414 -12.708 0.50 12.34 C +ANISOU 353 C AARG A 44 1649 1463 1575 -113 90 400 C +ATOM 354 C BARG A 44 16.928 21.006 -13.111 0.50 14.92 C +ANISOU 354 C BARG A 44 1846 2281 1541 -186 339 542 C +ATOM 355 O AARG A 44 16.618 22.127 -13.708 0.50 13.12 O +ANISOU 355 O AARG A 44 1730 1486 1768 -19 260 518 O +ATOM 356 O BARG A 44 16.890 21.335 -14.310 0.50 18.26 O +ANISOU 356 O BARG A 44 2680 2747 1511 869 571 543 O +ATOM 357 CB AARG A 44 18.403 19.558 -13.147 0.50 15.38 C +ANISOU 357 CB AARG A 44 2467 1915 1462 635 -579 318 C +ATOM 358 CB BARG A 44 18.569 19.172 -12.817 0.50 18.65 C +ANISOU 358 CB BARG A 44 3649 1740 1699 233 -289 218 C +ATOM 359 CG AARG A 44 17.868 18.238 -12.749 0.50 15.45 C +ANISOU 359 CG AARG A 44 2315 2014 1541 371 -316 38 C +ATOM 360 CG BARG A 44 17.972 18.559 -14.065 0.50 21.68 C +ANISOU 360 CG BARG A 44 2895 2682 2662 505 -271 -853 C +ATOM 361 CD AARG A 44 18.318 17.016 -13.520 0.50 25.49 C +ANISOU 361 CD AARG A 44 4900 2553 2232 -512 530 -1198 C +ATOM 362 CD BARG A 44 18.340 17.091 -14.241 0.50 23.40 C +ANISOU 362 CD BARG A 44 2538 2520 3832 -40 1093 -1145 C +ATOM 363 NE AARG A 44 17.706 15.760 -13.087 0.50 23.99 N +ANISOU 363 NE AARG A 44 4198 2404 2513 44 617 -1064 N +ATOM 364 NE BARG A 44 17.559 16.167 -13.433 0.50 22.68 N +ANISOU 364 NE BARG A 44 3430 3134 2055 -528 143 -851 N +ATOM 365 CZ AARG A 44 18.108 14.915 -12.150 0.50 28.86 C +ANISOU 365 CZ AARG A 44 6295 3377 1292 -653 403 -865 C +ATOM 366 CZ BARG A 44 16.281 15.877 -13.630 0.50 21.73 C +ANISOU 366 CZ BARG A 44 3302 2983 1972 -696 589 -222 C +ATOM 367 NH1AARG A 44 19.230 15.201 -11.483 0.50 21.00 N +ANISOU 367 NH1AARG A 44 4894 1619 1467 139 1136 -401 N +ATOM 368 NH1BARG A 44 15.716 16.507 -14.651 0.50 21.91 N +ANISOU 368 NH1BARG A 44 3231 2099 2996 741 337 -726 N +ATOM 369 NH2AARG A 44 17.423 13.799 -11.875 0.50 32.67 N +ANISOU 369 NH2AARG A 44 6583 4632 1197 -1658 -862 85 N +ATOM 370 NH2BARG A 44 15.566 15.034 -12.900 0.50 27.70 N +ANISOU 370 NH2BARG A 44 5734 3080 1712 -1899 1826 -1450 N +ATOM 371 N AASP A 45 15.703 21.083 -11.943 0.50 10.70 N +ANISOU 371 N AASP A 45 1616 1605 845 8 -28 47 N +ATOM 372 N BASP A 45 15.862 20.904 -12.337 0.50 13.38 N +ANISOU 372 N BASP A 45 1851 1706 1528 331 401 222 N +ATOM 373 CA AASP A 45 14.328 21.377 -12.342 0.50 11.27 C +ANISOU 373 CA AASP A 45 1611 1566 1103 -27 20 171 C +ATOM 374 CA BASP A 45 14.453 21.088 -12.698 0.50 13.24 C +ANISOU 374 CA BASP A 45 1797 1918 1318 -4 381 208 C +ATOM 375 C AASP A 45 13.761 22.643 -11.699 0.50 10.64 C +ANISOU 375 C AASP A 45 1365 1221 1455 -214 51 387 C +ATOM 376 C BASP A 45 13.822 21.897 -11.569 0.50 11.78 C +ANISOU 376 C BASP A 45 1557 1570 1350 136 316 384 C +ATOM 377 O AASP A 45 12.779 23.192 -12.205 0.50 13.20 O +ANISOU 377 O AASP A 45 1562 1557 1895 -2 -88 326 O +ATOM 378 O BASP A 45 13.161 21.363 -10.700 0.50 13.02 O +ANISOU 378 O BASP A 45 1899 1658 1391 66 574 397 O +ATOM 379 CB AASP A 45 13.415 20.179 -12.046 0.50 12.16 C +ANISOU 379 CB AASP A 45 1764 1420 1438 -62 207 5 C +ATOM 380 CB BASP A 45 13.796 19.739 -12.917 0.50 15.97 C +ANISOU 380 CB BASP A 45 2507 1834 1728 152 -304 24 C +ATOM 381 CG AASP A 45 13.732 18.991 -12.951 0.50 13.97 C +ANISOU 381 CG AASP A 45 2209 1585 1514 -107 230 -148 C +ATOM 382 CG BASP A 45 12.434 19.771 -13.577 0.50 17.61 C +ANISOU 382 CG BASP A 45 2897 2652 1141 -504 -568 152 C +ATOM 383 OD1AASP A 45 14.467 19.165 -13.960 0.50 22.78 O +ANISOU 383 OD1AASP A 45 4063 2285 2309 -1070 1479 -1023 O +ATOM 384 OD1BASP A 45 11.721 18.739 -13.623 0.50 22.67 O +ANISOU 384 OD1BASP A 45 3839 3190 1583 -1241 -410 -368 O +ATOM 385 OD2AASP A 45 13.229 17.883 -12.668 0.50 17.40 O +ANISOU 385 OD2AASP A 45 2252 1598 2759 -227 442 -204 O +ATOM 386 OD2BASP A 45 12.079 20.876 -14.035 0.50 21.15 O +ANISOU 386 OD2BASP A 45 2154 3222 2661 2 -523 739 O +ATOM 387 N AARG A 46 14.250 23.036 -10.534 0.50 11.02 N +ANISOU 387 N AARG A 46 1383 1317 1488 -338 222 115 N +ATOM 388 N BARG A 46 14.096 23.193 -11.514 0.50 13.53 N +ANISOU 388 N BARG A 46 1685 1615 1839 107 743 423 N +ATOM 389 CA AARG A 46 13.851 24.240 -9.816 0.50 10.63 C +ANISOU 389 CA AARG A 46 1063 1202 1774 -250 220 190 C +ATOM 390 CA BARG A 46 13.800 24.018 -10.311 0.50 11.32 C +ANISOU 390 CA BARG A 46 1220 1166 1915 254 577 508 C +ATOM 391 C AARG A 46 12.358 24.345 -9.578 0.50 9.95 C +ANISOU 391 C AARG A 46 1049 1310 1421 -133 55 636 C +ATOM 392 C BARG A 46 12.285 24.095 -10.147 0.50 9.94 C +ANISOU 392 C BARG A 46 1199 1426 1151 7 274 557 C +ATOM 393 O AARG A 46 11.700 25.304 -10.037 0.50 12.06 O +ANISOU 393 O AARG A 46 1404 1346 1832 157 435 876 O +ATOM 394 O BARG A 46 11.566 24.654 -10.980 0.50 11.61 O +ANISOU 394 O BARG A 46 1438 1872 1103 135 185 678 O +ATOM 395 CB AARG A 46 14.294 25.514 -10.548 0.50 13.52 C +ANISOU 395 CB AARG A 46 1382 1315 2440 -190 591 470 C +ATOM 396 CB BARG A 46 14.485 25.370 -10.309 0.50 12.64 C +ANISOU 396 CB BARG A 46 1315 1240 2247 91 312 706 C +ATOM 397 CG AARG A 46 15.793 25.472 -10.795 0.50 11.44 C +ANISOU 397 CG AARG A 46 1293 1049 2004 -237 156 397 C +ATOM 398 CG BARG A 46 14.572 26.283 -9.120 0.50 13.77 C +ANISOU 398 CG BARG A 46 1963 985 2284 51 257 771 C +ATOM 399 CD AARG A 46 16.513 25.219 -9.483 0.50 11.61 C +ANISOU 399 CD AARG A 46 1709 1102 1600 -287 315 -18 C +ATOM 400 CD BARG A 46 15.583 25.865 -8.046 0.50 13.07 C +ANISOU 400 CD BARG A 46 1312 1228 2425 -288 215 614 C +ATOM 401 NE AARG A 46 17.931 25.464 -9.583 0.50 13.34 N +ANISOU 401 NE AARG A 46 1320 1655 2094 327 21 -41 N +ATOM 402 NE BARG A 46 16.860 25.478 -8.684 0.50 12.59 N +ANISOU 402 NE BARG A 46 1784 1239 1762 -217 170 167 N +ATOM 403 CZ AARG A 46 18.597 26.627 -9.390 0.50 12.67 C +ANISOU 403 CZ AARG A 46 1121 2180 1512 -239 464 486 C +ATOM 404 CZ BARG A 46 17.910 26.214 -8.909 0.50 9.40 C +ANISOU 404 CZ BARG A 46 1442 1160 970 -1 402 -80 C +ATOM 405 NH1AARG A 46 17.920 27.708 -9.011 0.50 13.06 N +ANISOU 405 NH1AARG A 46 1932 1332 1697 -525 -143 565 N +ATOM 406 NH1BARG A 46 18.164 27.465 -8.623 0.50 11.95 N +ANISOU 406 NH1BARG A 46 2226 1066 1249 -185 -510 456 N +ATOM 407 NH2AARG A 46 19.892 26.734 -9.514 0.50 25.68 N +ANISOU 407 NH2AARG A 46 1264 4992 3502 -798 928 379 N +ATOM 408 NH2BARG A 46 18.992 25.613 -9.536 0.50 17.75 N +ANISOU 408 NH2BARG A 46 1860 2796 2087 973 543 -20 N +ATOM 409 N APRO A 47 11.782 23.489 -8.783 0.50 9.59 N +ANISOU 409 N APRO A 47 1011 1457 1177 -128 20 652 N +ATOM 410 N BPRO A 47 11.701 23.512 -9.131 0.50 8.96 N +ANISOU 410 N BPRO A 47 943 1436 1024 -26 26 545 N +ATOM 411 CA APRO A 47 10.350 23.580 -8.503 0.50 8.77 C +ANISOU 411 CA APRO A 47 960 1201 1172 -130 26 375 C +ATOM 412 CA BPRO A 47 10.313 23.728 -8.758 0.50 8.49 C +ANISOU 412 CA BPRO A 47 855 1307 1064 -40 19 426 C +ATOM 413 C APRO A 47 10.106 24.844 -7.673 0.50 8.53 C +ANISOU 413 C APRO A 47 967 1071 1202 -128 -213 472 C +ATOM 414 C BPRO A 47 10.158 24.990 -7.911 0.50 8.66 C +ANISOU 414 C BPRO A 47 913 1275 1104 -202 69 427 C +ATOM 415 O APRO A 47 10.989 25.284 -6.932 0.50 8.96 O +ANISOU 415 O APRO A 47 989 1398 1019 -285 -219 556 O +ATOM 416 O BPRO A 47 11.115 25.558 -7.390 0.50 9.59 O +ANISOU 416 O BPRO A 47 940 1443 1262 -190 -129 472 O +ATOM 417 CB APRO A 47 10.108 22.286 -7.712 0.50 9.71 C +ANISOU 417 CB APRO A 47 1252 1173 1264 -73 85 490 C +ATOM 418 CB BPRO A 47 9.999 22.468 -7.939 0.50 8.57 C +ANISOU 418 CB BPRO A 47 934 1319 1005 -113 -49 351 C +ATOM 419 CG APRO A 47 11.404 21.926 -7.068 0.50 11.51 C +ANISOU 419 CG APRO A 47 1417 1971 984 -397 -234 753 C +ATOM 420 CG BPRO A 47 11.298 22.095 -7.320 0.50 11.81 C +ANISOU 420 CG BPRO A 47 806 1881 1800 10 126 1132 C +ATOM 421 CD APRO A 47 12.459 22.418 -8.025 0.50 15.28 C +ANISOU 421 CD APRO A 47 1259 2589 1957 169 41 1609 C +ATOM 422 CD BPRO A 47 12.370 22.520 -8.275 0.50 14.58 C +ANISOU 422 CD BPRO A 47 1027 2332 2182 328 399 1561 C +ATOM 423 N ASP A 48 8.896 25.394 -7.791 1.00 8.04 N +ANISOU 423 N ASP A 48 896 1005 1156 -224 -129 339 N +ATOM 424 CA ASP A 48 8.495 26.452 -6.936 1.00 8.42 C +ANISOU 424 CA ASP A 48 995 885 1320 -205 -233 317 C +ATOM 425 C ASP A 48 8.287 26.047 -5.477 1.00 8.20 C +ANISOU 425 C ASP A 48 1125 734 1255 -209 -293 186 C +ATOM 426 O ASP A 48 8.309 26.881 -4.579 1.00 10.68 O +ANISOU 426 O ASP A 48 1976 763 1319 -178 -473 133 O +ATOM 427 CB ASP A 48 7.216 27.151 -7.426 1.00 9.40 C +ANISOU 427 CB ASP A 48 1090 908 1575 -95 -314 429 C +ATOM 428 CG ASP A 48 7.457 27.744 -8.791 1.00 10.91 C +ANISOU 428 CG ASP A 48 1240 1126 1779 -327 -466 569 C +ATOM 429 OD1 ASP A 48 8.234 28.729 -8.836 1.00 16.64 O +ANISOU 429 OD1 ASP A 48 2196 1801 2325 -1094 -878 1151 O +ATOM 430 OD2 ASP A 48 6.845 27.293 -9.764 1.00 12.53 O +ANISOU 430 OD2 ASP A 48 1326 1621 1812 -588 -564 791 O +ATOM 431 N ALEU A 49 8.083 24.740 -5.245 0.79 7.34 N +ANISOU 431 N ALEU A 49 1059 774 954 -90 -136 101 N +ATOM 432 N BLEU A 49 7.975 24.768 -5.242 0.21 7.25 N +ANISOU 432 N BLEU A 49 926 575 1253 247 -64 194 N +ATOM 433 CA ALEU A 49 7.817 24.239 -3.906 0.79 6.67 C +ANISOU 433 CA ALEU A 49 827 733 975 23 -144 81 C +ATOM 434 CA BLEU A 49 7.654 24.205 -3.941 0.21 7.14 C +ANISOU 434 CA BLEU A 49 923 643 1149 -35 -126 69 C +ATOM 435 C ALEU A 49 8.124 22.738 -3.941 0.79 5.81 C +ANISOU 435 C ALEU A 49 628 707 873 -143 -79 28 C +ATOM 436 C BLEU A 49 8.003 22.716 -3.887 0.21 7.83 C +ANISOU 436 C BLEU A 49 1300 625 1050 -86 -252 164 C +ATOM 437 O ALEU A 49 7.880 22.074 -4.958 0.79 6.71 O +ANISOU 437 O ALEU A 49 918 746 886 -198 -141 -35 O +ATOM 438 O BLEU A 49 7.689 22.025 -4.858 0.21 5.06 O +ANISOU 438 O BLEU A 49 734 567 620 299 61 266 O +ATOM 439 CB ALEU A 49 6.385 24.559 -3.494 0.79 7.19 C +ANISOU 439 CB ALEU A 49 955 819 957 32 -168 18 C +ATOM 440 CB BLEU A 49 6.162 24.365 -3.605 0.21 9.16 C +ANISOU 440 CB BLEU A 49 999 1152 1329 -109 18 -300 C +ATOM 441 CG ALEU A 49 5.914 24.092 -2.111 0.79 7.07 C +ANISOU 441 CG ALEU A 49 941 760 986 81 -97 -38 C +ATOM 442 CG BLEU A 49 5.681 23.652 -2.331 0.21 6.91 C +ANISOU 442 CG BLEU A 49 790 480 1355 85 88 -525 C +ATOM 443 CD1ALEU A 49 4.885 25.059 -1.536 0.79 8.84 C +ANISOU 443 CD1ALEU A 49 1181 898 1279 187 43 -19 C +ATOM 444 CD1BLEU A 49 6.301 24.276 -1.095 0.21 9.95 C +ANISOU 444 CD1BLEU A 49 882 1619 1279 228 -89 -611 C +ATOM 445 CD2ALEU A 49 5.323 22.713 -2.192 0.79 7.46 C +ANISOU 445 CD2ALEU A 49 938 900 996 -27 -20 59 C +ATOM 446 CD2BLEU A 49 4.156 23.640 -2.248 0.21 8.29 C +ANISOU 446 CD2BLEU A 49 773 885 1492 142 37 -375 C +ATOM 447 N VAL A 50 8.616 22.239 -2.807 1.00 5.93 N +ANISOU 447 N VAL A 50 841 599 812 -60 -62 -16 N +ATOM 448 CA VAL A 50 8.845 20.793 -2.609 1.00 5.53 C +ANISOU 448 CA VAL A 50 856 535 711 -38 5 -40 C +ATOM 449 C VAL A 50 7.981 20.307 -1.457 1.00 5.75 C +ANISOU 449 C VAL A 50 861 640 685 3 -36 -31 C +ATOM 450 O VAL A 50 7.971 20.912 -0.389 1.00 6.63 O +ANISOU 450 O VAL A 50 1051 740 729 -85 56 -78 O +ATOM 451 CB VAL A 50 10.325 20.527 -2.343 1.00 6.31 C +ANISOU 451 CB VAL A 50 783 748 866 -35 -107 -73 C +ATOM 452 CG1 VAL A 50 10.556 19.043 -2.072 1.00 7.62 C +ANISOU 452 CG1 VAL A 50 897 905 1094 34 -68 255 C +ATOM 453 CG2 VAL A 50 11.170 20.998 -3.512 1.00 7.52 C +ANISOU 453 CG2 VAL A 50 857 819 1182 7 91 156 C +ATOM 454 N VAL A 51 7.261 19.202 -1.698 1.00 5.67 N +ANISOU 454 N VAL A 51 888 647 618 -56 22 8 N +ATOM 455 CA VAL A 51 6.590 18.437 -0.654 1.00 5.59 C +ANISOU 455 CA VAL A 51 862 620 640 4 40 -24 C +ATOM 456 C VAL A 51 7.490 17.261 -0.350 1.00 5.43 C +ANISOU 456 C VAL A 51 799 680 583 -43 31 -13 C +ATOM 457 O VAL A 51 7.792 16.469 -1.245 1.00 6.54 O +ANISOU 457 O VAL A 51 1133 694 656 141 -96 -95 O +ATOM 458 CB VAL A 51 5.206 17.957 -1.103 1.00 6.17 C +ANISOU 458 CB VAL A 51 766 799 780 -61 30 29 C +ATOM 459 CG1 VAL A 51 4.570 17.067 -0.050 1.00 6.94 C +ANISOU 459 CG1 VAL A 51 856 924 857 -174 41 164 C +ATOM 460 CG2 VAL A 51 4.307 19.142 -1.456 1.00 6.77 C +ANISOU 460 CG2 VAL A 51 856 906 812 53 5 31 C +ATOM 461 N LEU A 52 8.006 17.183 0.876 1.00 5.70 N +ANISOU 461 N LEU A 52 863 684 618 70 42 -36 N +ATOM 462 CA LEU A 52 9.093 16.290 1.235 1.00 5.38 C +ANISOU 462 CA LEU A 52 724 695 627 -13 39 -54 C +ATOM 463 C LEU A 52 8.695 15.372 2.375 1.00 5.30 C +ANISOU 463 C LEU A 52 706 668 640 34 -27 -94 C +ATOM 464 O LEU A 52 8.423 15.842 3.485 1.00 5.65 O +ANISOU 464 O LEU A 52 810 737 601 21 21 -57 O +ATOM 465 CB LEU A 52 10.282 17.178 1.630 1.00 5.96 C +ANISOU 465 CB LEU A 52 788 753 723 -68 30 -30 C +ATOM 466 CG LEU A 52 11.538 16.469 2.095 1.00 6.47 C +ANISOU 466 CG LEU A 52 909 777 773 -12 -109 74 C +ATOM 467 CD1 LEU A 52 12.061 15.477 1.081 1.00 7.31 C +ANISOU 467 CD1 LEU A 52 894 932 949 65 -90 -54 C +ATOM 468 CD2 LEU A 52 12.600 17.544 2.379 1.00 8.07 C +ANISOU 468 CD2 LEU A 52 911 1003 1154 -40 -246 -187 C +ATOM 469 N ALA A 53 8.636 14.056 2.103 1.00 5.25 N +ANISOU 469 N ALA A 53 751 710 533 30 -41 -43 N +ATOM 470 CA ALA A 53 8.340 13.104 3.152 1.00 5.59 C +ANISOU 470 CA ALA A 53 782 692 651 -14 -41 -23 C +ATOM 471 C ALA A 53 9.565 12.870 4.030 1.00 5.69 C +ANISOU 471 C ALA A 53 895 649 617 -1 -38 -46 C +ATOM 472 O ALA A 53 10.698 12.818 3.612 1.00 6.22 O +ANISOU 472 O ALA A 53 825 878 659 46 -36 23 O +ATOM 473 CB ALA A 53 7.897 11.787 2.551 1.00 6.93 C +ANISOU 473 CB ALA A 53 1103 719 810 -140 -65 10 C +ATOM 474 N VAL A 54 9.244 12.640 5.339 1.00 5.83 N +ANISOU 474 N VAL A 54 848 721 646 70 -39 46 N +ATOM 475 CA VAL A 54 10.293 12.283 6.277 1.00 5.70 C +ANISOU 475 CA VAL A 54 865 668 633 -31 -78 36 C +ATOM 476 C VAL A 54 10.754 10.835 6.057 1.00 6.00 C +ANISOU 476 C VAL A 54 885 734 662 -8 -34 76 C +ATOM 477 O VAL A 54 11.958 10.553 6.063 1.00 6.86 O +ANISOU 477 O VAL A 54 886 772 946 -5 7 128 O +ATOM 478 CB VAL A 54 9.842 12.488 7.730 1.00 6.83 C +ANISOU 478 CB VAL A 54 995 900 699 74 -27 33 C +ATOM 479 CG1 VAL A 54 10.899 11.945 8.704 1.00 7.70 C +ANISOU 479 CG1 VAL A 54 1270 1002 655 180 -134 16 C +ATOM 480 CG2 VAL A 54 9.558 13.954 7.977 1.00 7.97 C +ANISOU 480 CG2 VAL A 54 1299 940 791 185 -235 -174 C +ATOM 481 N AASP A 55 9.817 9.922 6.005 0.66 5.85 N +ANISOU 481 N AASP A 55 798 647 778 19 47 -7 N +ATOM 482 N BASP A 55 9.802 9.935 5.908 0.34 6.66 N +ANISOU 482 N BASP A 55 853 704 973 -1 -177 155 N +ATOM 483 CA AASP A 55 10.058 8.478 6.087 0.66 5.84 C +ANISOU 483 CA AASP A 55 837 673 710 39 9 56 C +ATOM 484 CA BASP A 55 10.085 8.517 5.714 0.34 8.66 C +ANISOU 484 CA BASP A 55 1227 763 1298 -95 -11 -95 C +ATOM 485 C AASP A 55 10.272 7.911 4.667 0.66 5.31 C +ANISOU 485 C AASP A 55 798 436 784 31 13 110 C +ATOM 486 C BASP A 55 10.366 8.271 4.244 0.34 8.38 C +ANISOU 486 C BASP A 55 1205 841 1138 78 -159 30 C +ATOM 487 O AASP A 55 9.433 7.218 4.104 0.66 6.39 O +ANISOU 487 O AASP A 55 809 647 972 -62 -67 -49 O +ATOM 488 O BASP A 55 9.470 8.381 3.406 0.34 15.31 O +ANISOU 488 O BASP A 55 1639 2569 1608 54 -639 -71 O +ATOM 489 CB AASP A 55 8.981 7.772 6.852 0.66 6.31 C +ANISOU 489 CB AASP A 55 907 778 713 5 -11 107 C +ATOM 490 CB BASP A 55 8.939 7.646 6.225 0.34 11.39 C +ANISOU 490 CB BASP A 55 1919 1048 1361 -570 76 57 C +ATOM 491 CG AASP A 55 7.576 7.932 6.318 0.66 6.92 C +ANISOU 491 CG AASP A 55 819 898 915 -69 30 110 C +ATOM 492 CG BASP A 55 8.725 8.125 7.660 0.34 12.61 C +ANISOU 492 CG BASP A 55 1317 2195 1279 -467 -76 -75 C +ATOM 493 OD1AASP A 55 7.189 9.004 5.828 0.66 6.46 O +ANISOU 493 OD1AASP A 55 791 850 812 54 -55 -5 O +ATOM 494 OD1BASP A 55 9.667 7.957 8.477 0.34 13.75 O +ANISOU 494 OD1BASP A 55 1919 1664 1642 133 -459 9 O +ATOM 495 OD2AASP A 55 6.826 6.900 6.463 0.66 11.72 O +ANISOU 495 OD2AASP A 55 1132 1460 1860 -442 -443 872 O +ATOM 496 OD2BASP A 55 7.667 8.744 7.853 0.34 16.06 O +ANISOU 496 OD2BASP A 55 1516 3472 1116 112 -117 -63 O +ATOM 497 N ALEU A 56 11.395 8.277 4.069 0.66 6.10 N +ANISOU 497 N ALEU A 56 718 891 709 87 -22 -19 N +ATOM 498 N BLEU A 56 11.633 8.003 3.985 0.34 9.60 N +ANISOU 498 N BLEU A 56 1328 1030 1289 147 100 282 N +ATOM 499 CA ALEU A 56 11.718 7.888 2.697 0.66 6.32 C +ANISOU 499 CA ALEU A 56 796 895 712 217 -51 -69 C +ATOM 500 CA BLEU A 56 11.944 7.712 2.585 0.34 9.56 C +ANISOU 500 CA BLEU A 56 1254 1072 1305 72 10 48 C +ATOM 501 C ALEU A 56 12.295 6.505 2.662 0.66 6.82 C +ANISOU 501 C ALEU A 56 863 834 894 38 49 -28 C +ATOM 502 C BLEU A 56 12.548 6.316 2.563 0.34 9.60 C +ANISOU 502 C BLEU A 56 1273 1081 1294 162 -21 264 C +ATOM 503 O ALEU A 56 12.500 5.804 3.631 0.66 8.33 O +ANISOU 503 O ALEU A 56 1238 1047 880 221 220 86 O +ATOM 504 O BLEU A 56 13.200 5.900 3.512 0.34 15.57 O +ANISOU 504 O BLEU A 56 1908 2280 1728 517 -381 599 O +ATOM 505 CB ALEU A 56 12.640 8.952 2.089 0.66 6.30 C +ANISOU 505 CB ALEU A 56 884 845 665 198 20 -91 C +ATOM 506 CB BLEU A 56 12.841 8.779 1.973 0.34 9.10 C +ANISOU 506 CB BLEU A 56 1386 913 1158 95 202 -113 C +ATOM 507 CG ALEU A 56 11.911 10.269 1.794 0.66 6.66 C +ANISOU 507 CG ALEU A 56 830 830 871 81 -52 -4 C +ATOM 508 CG BLEU A 56 12.208 10.171 1.866 0.34 7.10 C +ANISOU 508 CG BLEU A 56 891 1042 764 108 178 -163 C +ATOM 509 CD1ALEU A 56 12.903 11.378 1.527 0.66 7.28 C +ANISOU 509 CD1ALEU A 56 972 947 847 48 2 20 C +ATOM 510 CD1BLEU A 56 13.258 11.207 1.477 0.34 8.78 C +ANISOU 510 CD1BLEU A 56 1211 914 1211 262 593 14 C +ATOM 511 CD2ALEU A 56 10.954 10.113 0.648 0.66 7.20 C +ANISOU 511 CD2ALEU A 56 874 830 1030 160 -141 72 C +ATOM 512 CD2BLEU A 56 11.025 10.169 0.920 0.34 17.34 C +ANISOU 512 CD2BLEU A 56 1727 2795 2065 -406 -861 1376 C +ATOM 513 N ASER A 57 12.601 6.047 1.431 0.66 7.83 N +ANISOU 513 N ASER A 57 1376 723 875 133 -284 -229 N +ATOM 514 N BSER A 57 12.274 5.654 1.453 0.34 12.06 N +ANISOU 514 N BSER A 57 1875 701 2004 103 -518 63 N +ATOM 515 CA ASER A 57 13.030 4.680 1.255 0.66 8.32 C +ANISOU 515 CA ASER A 57 1332 727 1103 84 -121 -194 C +ATOM 516 CA BSER A 57 12.933 4.376 1.228 0.34 11.76 C +ANISOU 516 CA BSER A 57 1962 800 1705 81 -374 104 C +ATOM 517 C ASER A 57 14.342 4.414 1.908 0.66 7.84 C +ANISOU 517 C ASER A 57 1331 743 905 158 -75 -119 C +ATOM 518 C BSER A 57 14.432 4.572 1.201 0.34 12.72 C +ANISOU 518 C BSER A 57 1916 1133 1786 187 -434 -394 C +ATOM 519 O ASER A 57 15.201 5.264 2.155 0.66 7.86 O +ANISOU 519 O ASER A 57 1266 859 860 119 30 -118 O +ATOM 520 O BSER A 57 14.965 5.668 1.003 0.34 12.05 O +ANISOU 520 O BSER A 57 1521 1454 1606 210 -167 -4 O +ATOM 521 CB ASER A 57 13.166 4.311 -0.230 0.66 9.27 C +ANISOU 521 CB ASER A 57 1540 826 1155 0 -240 -415 C +ATOM 522 CB BSER A 57 12.398 3.815 -0.081 0.34 13.23 C +ANISOU 522 CB BSER A 57 2321 615 2090 49 -886 70 C +ATOM 523 OG ASER A 57 14.284 4.944 -0.799 0.66 9.42 O +ANISOU 523 OG ASER A 57 1564 1093 922 198 -112 -122 O +ATOM 524 OG BSER A 57 12.632 4.747 -1.131 0.34 11.55 O +ANISOU 524 OG BSER A 57 1718 1154 1519 -38 -329 -223 O +ATOM 525 N AALA A 58 14.566 3.126 2.185 0.66 11.28 N +ANISOU 525 N AALA A 58 2292 770 1225 236 -694 -133 N +ATOM 526 N BALA A 58 15.108 3.460 1.456 0.34 13.81 N +ANISOU 526 N BALA A 58 2051 1400 1795 414 41 -109 N +ATOM 527 CA AALA A 58 15.835 2.636 2.668 0.66 14.19 C +ANISOU 527 CA AALA A 58 2632 907 1854 701 -851 -442 C +ATOM 528 CA BALA A 58 16.562 3.415 1.591 0.34 15.69 C +ANISOU 528 CA BALA A 58 2190 1295 2475 370 -663 -2 C +ATOM 529 C AALA A 58 16.288 3.392 3.915 0.66 13.51 C +ANISOU 529 C AALA A 58 2633 952 1548 646 -1095 -93 C +ATOM 530 C BALA A 58 16.816 4.079 2.928 0.34 18.69 C +ANISOU 530 C BALA A 58 3460 1178 2464 964 -1304 187 C +ATOM 531 O AALA A 58 17.499 3.555 4.160 0.66 16.20 O +ANISOU 531 O AALA A 58 2712 1201 2242 632 -1132 -384 O +ATOM 532 O BALA A 58 15.833 4.398 3.632 0.34 23.04 O +ANISOU 532 O BALA A 58 4509 1992 2253 -575 96 13 O +ATOM 533 CB AALA A 58 16.878 2.676 1.562 0.66 17.96 C +ANISOU 533 CB AALA A 58 2645 2000 2177 1341 -668 -736 C +ATOM 534 CB BALA A 58 17.224 3.995 0.365 0.34 26.15 C +ANISOU 534 CB BALA A 58 2923 3662 3351 -291 1250 -842 C +ATOM 535 N AGLY A 59 15.314 3.733 4.765 0.66 12.75 N +ANISOU 535 N AGLY A 59 2971 749 1126 -26 -738 135 N +ATOM 536 N BGLY A 59 17.985 4.335 3.518 0.34 23.72 N +ANISOU 536 N BGLY A 59 4322 1415 3276 601 -1823 -605 N +ATOM 537 CA AGLY A 59 15.705 4.341 6.027 0.66 13.48 C +ANISOU 537 CA AGLY A 59 3004 1026 1093 -304 -647 287 C +ATOM 538 CA BGLY A 59 17.709 5.011 4.803 0.34 22.43 C +ANISOU 538 CA BGLY A 59 4231 1506 2786 875 -1570 -30 C +ATOM 539 C AGLY A 59 16.173 5.771 5.995 0.66 9.27 C +ANISOU 539 C AGLY A 59 1572 977 974 4 -137 -17 C +ATOM 540 C BGLY A 59 17.590 6.506 4.636 0.34 14.22 C +ANISOU 540 C BGLY A 59 2063 1467 1871 601 134 36 C +ATOM 541 O AGLY A 59 16.516 6.358 7.082 0.66 10.01 O +ANISOU 541 O AGLY A 59 1711 1018 1076 24 -370 110 O +ATOM 542 O BGLY A 59 18.181 7.262 5.389 0.34 19.95 O +ANISOU 542 O BGLY A 59 3552 1832 2196 64 -381 -25 O +ATOM 543 N AGLN A 60 16.023 6.427 4.854 0.66 8.37 N +ANISOU 543 N AGLN A 60 1441 807 930 82 -71 -84 N +ATOM 544 N BGLN A 60 16.890 7.027 3.640 0.34 13.85 N +ANISOU 544 N BGLN A 60 2446 1067 1748 335 215 237 N +ATOM 545 CA AGLN A 60 16.473 7.796 4.673 0.66 8.15 C +ANISOU 545 CA AGLN A 60 1071 899 1125 7 -67 -103 C +ATOM 546 CA BGLN A 60 16.920 8.458 3.388 0.34 12.74 C +ANISOU 546 CA BGLN A 60 1973 1100 1767 138 443 118 C +ATOM 547 C AGLN A 60 15.614 8.764 5.464 0.66 7.39 C +ANISOU 547 C AGLN A 60 889 919 998 -94 -66 -157 C +ATOM 548 C BGLN A 60 15.935 9.134 4.295 0.34 11.88 C +ANISOU 548 C BGLN A 60 1691 954 1869 44 450 357 C +ATOM 549 O AGLN A 60 14.379 8.697 5.432 0.66 8.44 O +ANISOU 549 O AGLN A 60 1005 987 1217 -36 -36 -168 O +ATOM 550 O BGLN A 60 14.914 8.505 4.538 0.34 15.75 O +ANISOU 550 O BGLN A 60 2080 2417 1489 -766 507 -87 O +ATOM 551 CB AGLN A 60 16.389 8.226 3.193 0.66 8.69 C +ANISOU 551 CB AGLN A 60 1198 958 1147 -101 100 -13 C +ATOM 552 CB BGLN A 60 16.478 8.705 1.943 0.34 13.49 C +ANISOU 552 CB BGLN A 60 2261 1006 1860 80 267 400 C +ATOM 553 CG AGLN A 60 17.483 7.553 2.355 0.66 11.60 C +ANISOU 553 CG AGLN A 60 1649 1477 1281 65 275 -102 C +ATOM 554 CG BGLN A 60 17.486 8.398 0.868 0.34 16.51 C +ANISOU 554 CG BGLN A 60 2917 1560 1796 -627 495 -460 C +ATOM 555 CD AGLN A 60 17.183 7.767 0.890 0.66 11.35 C +ANISOU 555 CD AGLN A 60 1516 1474 1321 -126 308 77 C +ATOM 556 CD BGLN A 60 18.481 9.538 0.729 0.34 17.38 C +ANISOU 556 CD BGLN A 60 2057 1845 2701 -375 438 -307 C +ATOM 557 OE1AGLN A 60 16.478 6.955 0.228 0.66 13.64 O +ANISOU 557 OE1AGLN A 60 1886 1937 1360 -219 102 -36 O +ATOM 558 OE1BGLN A 60 18.148 10.731 0.799 0.34 16.42 O +ANISOU 558 OE1BGLN A 60 2112 1599 2529 -567 -789 521 O +ATOM 559 NE2AGLN A 60 17.743 8.824 0.355 0.66 19.43 N +ANISOU 559 NE2AGLN A 60 4143 2129 1111 -1230 765 -78 N +ATOM 560 NE2BGLN A 60 19.708 9.106 0.520 0.34 20.38 N +ANISOU 560 NE2BGLN A 60 1976 3461 2304 91 -314 -515 N +ATOM 561 N AASN A 61 16.267 9.717 6.120 0.66 7.36 N +ANISOU 561 N AASN A 61 833 912 1053 47 46 -225 N +ATOM 562 N BASN A 61 16.145 10.389 4.705 0.34 14.19 N +ANISOU 562 N BASN A 61 2284 919 2190 174 776 234 N +ATOM 563 CA AASN A 61 15.602 10.801 6.839 0.66 6.89 C +ANISOU 563 CA AASN A 61 879 697 1040 -13 47 -93 C +ATOM 564 CA BASN A 61 14.951 10.912 5.374 0.34 10.67 C +ANISOU 564 CA BASN A 61 1803 949 1302 -63 259 217 C +ATOM 565 C AASN A 61 15.398 11.984 5.922 0.66 6.19 C +ANISOU 565 C AASN A 61 797 813 742 -65 98 -160 C +ATOM 566 C BASN A 61 14.813 12.363 4.971 0.34 8.55 C +ANISOU 566 C BASN A 61 1336 867 1046 -185 -82 9 C +ATOM 567 O AASN A 61 16.337 12.723 5.619 0.66 6.57 O +ANISOU 567 O AASN A 61 770 886 839 -56 36 28 O +ATOM 568 O BASN A 61 15.734 13.054 4.582 0.34 9.06 O +ANISOU 568 O BASN A 61 1301 975 1165 24 124 261 O +ATOM 569 CB AASN A 61 16.460 11.177 8.049 0.66 6.37 C +ANISOU 569 CB AASN A 61 801 748 869 -26 52 92 C +ATOM 570 CB BASN A 61 14.936 10.647 6.860 0.34 10.07 C +ANISOU 570 CB BASN A 61 1616 893 1318 -52 -102 171 C +ATOM 571 CG AASN A 61 15.861 12.253 8.902 0.66 5.75 C +ANISOU 571 CG AASN A 61 810 685 690 3 1 165 C +ATOM 572 CG BASN A 61 15.506 11.634 7.822 0.34 8.87 C +ANISOU 572 CG BASN A 61 1263 737 1368 -46 -7 272 C +ATOM 573 OD1AASN A 61 16.528 12.680 9.931 0.66 8.02 O +ANISOU 573 OD1AASN A 61 1128 1126 792 165 -32 141 O +ATOM 574 OD1BASN A 61 15.311 12.850 7.747 0.34 11.91 O +ANISOU 574 OD1BASN A 61 1602 663 2261 -346 -821 470 O +ATOM 575 ND2AASN A 61 14.765 12.745 8.561 0.66 5.33 N +ANISOU 575 ND2AASN A 61 964 660 399 54 141 41 N +ATOM 576 ND2BASN A 61 16.199 11.149 8.834 0.34 8.77 N +ANISOU 576 ND2BASN A 61 1219 686 1429 -112 -27 270 N +ATOM 577 N AGLY A 62 14.145 12.237 5.548 0.66 6.36 N +ANISOU 577 N AGLY A 62 869 854 692 -194 22 65 N +ATOM 578 N BGLY A 62 13.560 12.809 5.027 0.34 8.85 N +ANISOU 578 N BGLY A 62 1355 738 1269 -257 104 -264 N +ATOM 579 CA AGLY A 62 13.883 13.375 4.665 0.66 6.77 C +ANISOU 579 CA AGLY A 62 790 1029 754 -145 -30 20 C +ATOM 580 CA BGLY A 62 13.255 14.122 4.517 0.34 7.57 C +ANISOU 580 CA BGLY A 62 1128 887 863 -218 42 -119 C +ATOM 581 C AGLY A 62 14.227 14.712 5.284 0.66 6.26 C +ANISOU 581 C AGLY A 62 736 879 766 -36 4 75 C +ATOM 582 C BGLY A 62 13.882 15.251 5.307 0.34 6.40 C +ANISOU 582 C BGLY A 62 955 712 765 -122 -86 54 C +ATOM 583 O AGLY A 62 14.509 15.680 4.526 0.66 7.02 O +ANISOU 583 O AGLY A 62 890 966 813 -50 -50 184 O +ATOM 584 O BGLY A 62 14.111 16.337 4.748 0.34 6.45 O +ANISOU 584 O BGLY A 62 812 807 830 -146 -121 47 O +ATOM 585 N TYR A 63 14.203 14.922 6.608 1.00 6.89 N +ANISOU 585 N TYR A 63 1012 867 741 -200 -45 96 N +ATOM 586 CA TYR A 63 14.739 16.128 7.251 1.00 6.61 C +ANISOU 586 CA TYR A 63 955 642 915 -29 -172 83 C +ATOM 587 C TYR A 63 16.172 16.399 6.785 1.00 7.27 C +ANISOU 587 C TYR A 63 1114 737 910 -115 -57 81 C +ATOM 588 O TYR A 63 16.563 17.562 6.708 1.00 8.73 O +ANISOU 588 O TYR A 63 1360 879 1077 -362 95 -34 O +ATOM 589 CB TYR A 63 14.669 16.024 8.753 1.00 7.16 C +ANISOU 589 CB TYR A 63 893 885 941 -113 -122 -77 C +ATOM 590 CG TYR A 63 13.285 15.999 9.361 1.00 6.82 C +ANISOU 590 CG TYR A 63 922 777 892 -28 -103 -204 C +ATOM 591 CD1 TYR A 63 12.401 17.078 9.263 1.00 8.06 C +ANISOU 591 CD1 TYR A 63 989 746 1326 10 -191 -273 C +ATOM 592 CD2 TYR A 63 12.819 14.918 10.123 1.00 7.04 C +ANISOU 592 CD2 TYR A 63 932 1065 678 -20 -115 -82 C +ATOM 593 CE1 TYR A 63 11.162 17.044 9.859 1.00 8.57 C +ANISOU 593 CE1 TYR A 63 999 809 1448 60 -219 -511 C +ATOM 594 CE2 TYR A 63 11.607 14.898 10.717 1.00 7.38 C +ANISOU 594 CE2 TYR A 63 867 1255 682 -25 -73 -142 C +ATOM 595 CZ TYR A 63 10.754 15.952 10.595 1.00 8.27 C +ANISOU 595 CZ TYR A 63 838 1223 1081 -6 -112 -560 C +ATOM 596 OH TYR A 63 9.515 15.979 11.157 1.00 10.23 O +ANISOU 596 OH TYR A 63 931 1597 1360 -43 106 -733 O +ATOM 597 N LEU A 64 16.942 15.357 6.497 1.00 7.87 N +ANISOU 597 N LEU A 64 922 942 1127 -29 -113 92 N +ATOM 598 CA LEU A 64 18.312 15.610 6.046 1.00 10.19 C +ANISOU 598 CA LEU A 64 947 1608 1317 -140 -103 24 C +ATOM 599 C LEU A 64 18.348 16.189 4.653 1.00 8.75 C +ANISOU 599 C LEU A 64 865 1199 1259 -57 -55 40 C +ATOM 600 O LEU A 64 19.258 16.964 4.312 1.00 9.81 O +ANISOU 600 O LEU A 64 919 1227 1580 -147 -228 184 O +ATOM 601 CB LEU A 64 19.174 14.398 6.160 1.00 13.71 C +ANISOU 601 CB LEU A 64 1125 2335 1750 456 177 852 C +ATOM 602 CG LEU A 64 19.498 14.183 7.685 1.00 14.81 C +ANISOU 602 CG LEU A 64 1785 2002 1839 -93 166 751 C +ATOM 603 CD1 LEU A 64 20.293 12.922 7.700 1.00 18.57 C +ANISOU 603 CD1 LEU A 64 2034 2110 2913 47 -638 1236 C +ATOM 604 CD2 LEU A 64 20.153 15.387 8.344 1.00 25.89 C +ANISOU 604 CD2 LEU A 64 4485 2278 3076 -301 -1596 618 C +ATOM 605 N AILE A 65 17.387 15.845 3.796 0.80 8.29 N +ANISOU 605 N AILE A 65 925 1182 1042 -200 81 -152 N +ATOM 606 N BILE A 65 17.341 15.817 3.863 0.20 8.68 N +ANISOU 606 N BILE A 65 1010 836 1450 -108 -282 339 N +ATOM 607 CA AILE A 65 17.301 16.483 2.483 0.80 8.18 C +ANISOU 607 CA AILE A 65 977 1052 1081 -179 7 -136 C +ATOM 608 CA BILE A 65 17.202 16.368 2.511 0.20 8.21 C +ANISOU 608 CA BILE A 65 1038 918 1165 -27 27 79 C +ATOM 609 C AILE A 65 17.008 17.951 2.680 0.80 7.63 C +ANISOU 609 C AILE A 65 744 1089 1066 -217 -38 -167 C +ATOM 610 C BILE A 65 16.865 17.850 2.612 0.20 6.31 C +ANISOU 610 C BILE A 65 1102 873 422 -126 -199 139 C +ATOM 611 O AILE A 65 17.602 18.824 2.049 0.80 7.98 O +ANISOU 611 O AILE A 65 930 1098 1004 -284 -56 -56 O +ATOM 612 O BILE A 65 17.373 18.666 1.834 0.20 9.47 O +ANISOU 612 O BILE A 65 1523 1142 931 -663 -102 263 O +ATOM 613 CB AILE A 65 16.259 15.763 1.606 0.80 8.04 C +ANISOU 613 CB AILE A 65 885 1139 1031 -247 145 -211 C +ATOM 614 CB BILE A 65 16.178 15.588 1.672 0.20 8.67 C +ANISOU 614 CB BILE A 65 1441 830 1023 -213 50 56 C +ATOM 615 CG1AILE A 65 16.772 14.368 1.263 0.80 8.92 C +ANISOU 615 CG1AILE A 65 1294 1026 1070 -220 355 -186 C +ATOM 616 CG1BILE A 65 16.507 14.099 1.532 0.20 9.92 C +ANISOU 616 CG1BILE A 65 1259 811 1701 -286 403 103 C +ATOM 617 CG2AILE A 65 15.935 16.571 0.382 0.80 8.29 C +ANISOU 617 CG2AILE A 65 998 1157 996 -184 55 -206 C +ATOM 618 CG2BILE A 65 16.013 16.200 0.285 0.20 9.20 C +ANISOU 618 CG2BILE A 65 1698 986 810 -262 273 -44 C +ATOM 619 CD1AILE A 65 15.701 13.432 0.774 0.80 11.21 C +ANISOU 619 CD1AILE A 65 1623 1126 1511 -513 373 -380 C +ATOM 620 CD1BILE A 65 17.779 13.859 0.733 0.20 9.23 C +ANISOU 620 CD1BILE A 65 789 1342 1376 -123 -162 -101 C +ATOM 621 N CYS A 66 16.022 18.250 3.564 1.00 7.63 N +ANISOU 621 N CYS A 66 1023 906 971 -155 -29 5 N +ATOM 622 CA CYS A 66 15.748 19.646 3.846 1.00 7.77 C +ANISOU 622 CA CYS A 66 1164 893 896 -90 -9 15 C +ATOM 623 C CYS A 66 17.030 20.374 4.305 1.00 8.24 C +ANISOU 623 C CYS A 66 1290 951 892 -197 -117 6 C +ATOM 624 O CYS A 66 17.330 21.491 3.855 1.00 9.77 O +ANISOU 624 O CYS A 66 1645 883 1183 -290 -126 153 O +ATOM 625 CB CYS A 66 14.643 19.743 4.896 1.00 8.39 C +ANISOU 625 CB CYS A 66 1254 1012 920 -156 -115 -22 C +ATOM 626 SG CYS A 66 14.026 21.397 5.215 1.00 9.63 S +ANISOU 626 SG CYS A 66 1696 1021 942 7 32 -92 S +ATOM 627 N GLY A 67 17.799 19.727 5.161 1.00 8.64 N +ANISOU 627 N GLY A 67 1335 976 972 -316 -200 160 N +ATOM 628 CA GLY A 67 19.052 20.307 5.612 1.00 9.85 C +ANISOU 628 CA GLY A 67 1363 1241 1137 -425 -326 200 C +ATOM 629 C GLY A 67 20.024 20.608 4.499 1.00 10.64 C +ANISOU 629 C GLY A 67 1402 1313 1326 -501 -291 296 C +ATOM 630 O GLY A 67 20.651 21.669 4.458 1.00 13.34 O +ANISOU 630 O GLY A 67 2019 1495 1556 -995 -468 371 O +ATOM 631 N ALYS A 68 20.091 19.665 3.548 0.51 11.86 N +ANISOU 631 N ALYS A 68 1736 1728 1041 -915 -239 186 N +ATOM 632 N BLYS A 68 20.201 19.669 3.566 0.49 8.59 N +ANISOU 632 N BLYS A 68 766 1022 1477 -72 -177 477 N +ATOM 633 CA ALYS A 68 20.988 20.006 2.435 0.51 10.10 C +ANISOU 633 CA ALYS A 68 1026 1284 1526 -180 -108 395 C +ATOM 634 CA BLYS A 68 21.086 19.741 2.415 0.49 10.68 C +ANISOU 634 CA BLYS A 68 1066 1739 1253 -611 -219 466 C +ATOM 635 C ALYS A 68 20.416 21.188 1.679 0.51 9.26 C +ANISOU 635 C ALYS A 68 978 1139 1400 -160 21 234 C +ATOM 636 C BLYS A 68 20.734 20.899 1.476 0.49 10.75 C +ANISOU 636 C BLYS A 68 1094 1743 1248 -398 -33 433 C +ATOM 637 O ALYS A 68 21.144 22.091 1.265 0.51 9.78 O +ANISOU 637 O ALYS A 68 994 1061 1663 -8 278 283 O +ATOM 638 O BLYS A 68 21.605 21.610 0.971 0.49 10.15 O +ANISOU 638 O BLYS A 68 1039 1384 1434 -315 184 241 O +ATOM 639 CB ALYS A 68 21.227 18.800 1.529 0.51 10.38 C +ANISOU 639 CB ALYS A 68 1089 1225 1631 -211 -219 281 C +ATOM 640 CB BLYS A 68 21.044 18.449 1.599 0.49 11.97 C +ANISOU 640 CB BLYS A 68 1130 1751 1667 -570 500 295 C +ATOM 641 CG ALYS A 68 21.950 17.627 2.166 0.51 12.64 C +ANISOU 641 CG ALYS A 68 1314 1465 2024 87 148 457 C +ATOM 642 CG BLYS A 68 21.671 17.196 2.165 0.49 18.16 C +ANISOU 642 CG BLYS A 68 2076 2016 2808 23 81 257 C +ATOM 643 CD ALYS A 68 22.082 16.414 1.271 0.51 17.60 C +ANISOU 643 CD ALYS A 68 2485 1534 2667 290 612 214 C +ATOM 644 CD BLYS A 68 21.236 15.907 1.467 0.49 26.34 C +ANISOU 644 CD BLYS A 68 4143 1974 3890 -9 660 -403 C +ATOM 645 CE ALYS A 68 22.890 15.285 1.833 0.51 21.59 C +ANISOU 645 CE ALYS A 68 3308 1573 3324 484 -259 -72 C +ATOM 646 CE BLYS A 68 21.453 14.735 2.410 0.49 26.88 C +ANISOU 646 CE BLYS A 68 4004 2041 4166 -702 881 -68 C +ATOM 647 NZ ALYS A 68 24.199 15.585 2.456 0.51 36.32 N +ANISOU 647 NZ ALYS A 68 5256 3737 4808 148 -2733 485 N +ATOM 648 NZ BLYS A 68 20.265 13.915 2.749 0.49 23.42 N +ANISOU 648 NZ BLYS A 68 2886 2813 3200 -116 1480 -749 N +ATOM 649 N ALEU A 69 19.100 21.237 1.483 0.51 7.76 N +ANISOU 649 N ALEU A 69 990 979 981 -105 -21 50 N +ATOM 650 N BLEU A 69 19.429 21.032 1.235 0.49 8.74 N +ANISOU 650 N BLEU A 69 1093 1260 967 -449 42 292 N +ATOM 651 CA ALEU A 69 18.532 22.343 0.691 0.51 8.49 C +ANISOU 651 CA ALEU A 69 1190 999 1035 -10 10 71 C +ATOM 652 CA BLEU A 69 18.918 22.139 0.433 0.49 9.50 C +ANISOU 652 CA BLEU A 69 1262 1336 1011 -431 -134 254 C +ATOM 653 C ALEU A 69 18.689 23.690 1.371 0.51 8.57 C +ANISOU 653 C ALEU A 69 1198 951 1106 -68 241 97 C +ATOM 654 C BLEU A 69 19.310 23.460 1.083 0.49 9.25 C +ANISOU 654 C BLEU A 69 1251 1263 998 -312 -189 356 C +ATOM 655 O ALEU A 69 19.009 24.695 0.718 0.51 8.83 O +ANISOU 655 O ALEU A 69 1107 1023 1226 -41 310 138 O +ATOM 656 O BLEU A 69 19.698 24.432 0.435 0.49 10.18 O +ANISOU 656 O BLEU A 69 1620 1229 1018 -395 -265 299 O +ATOM 657 CB ALEU A 69 17.061 22.021 0.398 0.51 8.48 C +ANISOU 657 CB ALEU A 69 1246 859 1116 123 -55 101 C +ATOM 658 CB BLEU A 69 17.408 22.046 0.290 0.49 10.16 C +ANISOU 658 CB BLEU A 69 1274 1347 1239 -240 -133 -25 C +ATOM 659 CG ALEU A 69 16.860 20.800 -0.523 0.51 8.10 C +ANISOU 659 CG ALEU A 69 1105 827 1146 74 29 81 C +ATOM 660 CG BLEU A 69 16.879 20.926 -0.623 0.49 8.04 C +ANISOU 660 CG BLEU A 69 1064 1080 910 -151 -85 254 C +ATOM 661 CD1ALEU A 69 15.412 20.361 -0.571 0.51 7.72 C +ANISOU 661 CD1ALEU A 69 1023 1136 775 234 -89 141 C +ATOM 662 CD1BLEU A 69 15.401 20.697 -0.375 0.49 11.72 C +ANISOU 662 CD1BLEU A 69 1199 1986 1268 -349 187 -691 C +ATOM 663 CD2ALEU A 69 17.342 21.104 -1.936 0.51 7.88 C +ANISOU 663 CD2ALEU A 69 975 894 1126 -76 -91 35 C +ATOM 664 CD2BLEU A 69 17.137 21.248 -2.094 0.49 12.36 C +ANISOU 664 CD2BLEU A 69 1785 1979 933 -319 133 244 C +ATOM 665 N ALYS A 70 18.501 23.760 2.689 0.51 8.75 N +ANISOU 665 N ALYS A 70 1377 907 1042 -51 20 39 N +ATOM 666 N BLYS A 70 19.250 23.504 2.416 0.49 10.41 N +ANISOU 666 N BLYS A 70 1812 1144 1000 -277 -284 287 N +ATOM 667 CA ALYS A 70 18.595 25.006 3.424 0.51 10.24 C +ANISOU 667 CA ALYS A 70 1545 957 1390 -146 342 -125 C +ATOM 668 CA BLYS A 70 19.417 24.755 3.139 0.49 13.13 C +ANISOU 668 CA BLYS A 70 2478 1322 1189 -782 -563 220 C +ATOM 669 C ALYS A 70 20.014 25.464 3.596 0.51 10.23 C +ANISOU 669 C ALYS A 70 1561 986 1342 -229 -102 427 C +ATOM 670 C BLYS A 70 20.833 25.199 3.299 0.49 17.34 C +ANISOU 670 C BLYS A 70 2838 1956 1794 -1276 -792 614 C +ATOM 671 O ALYS A 70 20.215 26.657 3.877 0.51 14.22 O +ANISOU 671 O ALYS A 70 1772 1138 2492 -387 -96 86 O +ATOM 672 O BLYS A 70 21.114 26.377 3.415 0.49 20.43 O +ANISOU 672 O BLYS A 70 3720 2030 2013 -1743 -1691 871 O +ATOM 673 CB ALYS A 70 17.893 24.888 4.773 0.51 9.28 C +ANISOU 673 CB ALYS A 70 1428 1033 1067 134 38 -17 C +ATOM 674 CB BLYS A 70 18.812 24.677 4.542 0.49 13.76 C +ANISOU 674 CB BLYS A 70 2616 1402 1211 -107 -496 -104 C +ATOM 675 CG ALYS A 70 16.408 24.731 4.662 0.51 7.96 C +ANISOU 675 CG ALYS A 70 1420 626 977 -55 26 -91 C +ATOM 676 CG BLYS A 70 17.465 25.363 4.593 0.49 17.35 C +ANISOU 676 CG BLYS A 70 2512 1750 2331 -158 -302 70 C +ATOM 677 CD ALYS A 70 15.685 25.803 3.897 0.51 7.91 C +ANISOU 677 CD ALYS A 70 1510 586 909 -288 -215 79 C +ATOM 678 CD BLYS A 70 16.375 24.473 4.082 0.49 14.84 C +ANISOU 678 CD BLYS A 70 2330 1167 2140 -63 230 -35 C +ATOM 679 CE ALYS A 70 14.215 25.594 3.765 0.51 8.11 C +ANISOU 679 CE ALYS A 70 1420 684 979 -104 18 11 C +ATOM 680 CE BLYS A 70 15.000 25.079 4.005 0.49 12.58 C +ANISOU 680 CE BLYS A 70 2219 1312 1249 -169 414 -115 C +ATOM 681 NZ ALYS A 70 13.596 26.494 2.765 0.51 8.14 N +ANISOU 681 NZ ALYS A 70 1190 916 988 -341 19 112 N +ATOM 682 NZ BLYS A 70 14.966 26.355 3.310 0.49 12.93 N +ANISOU 682 NZ BLYS A 70 1796 1987 1131 -140 197 508 N +ATOM 683 N ALYS A 71 20.959 24.582 3.394 0.51 11.20 N +ANISOU 683 N ALYS A 71 1400 1212 1644 -318 -144 80 N +ATOM 684 N BLYS A 71 21.742 24.229 3.109 0.49 18.40 N +ANISOU 684 N BLYS A 71 2333 2330 2330 -1135 -1249 1350 N +ATOM 685 CA ALYS A 71 22.357 24.987 3.424 0.51 14.01 C +ANISOU 685 CA ALYS A 71 1395 1887 2040 -785 -147 316 C +ATOM 686 CA BLYS A 71 23.141 24.626 3.114 0.49 19.04 C +ANISOU 686 CA BLYS A 71 2508 2453 2273 -1471 -1506 1506 C +ATOM 687 C ALYS A 71 22.954 25.300 2.051 0.51 13.68 C +ANISOU 687 C ALYS A 71 1748 1505 1944 -758 -36 129 C +ATOM 688 C BLYS A 71 23.547 24.940 1.684 0.49 21.06 C +ANISOU 688 C BLYS A 71 2797 2877 2328 -1903 -1391 1425 C +ATOM 689 O ALYS A 71 24.061 25.896 2.015 0.51 14.48 O +ANISOU 689 O ALYS A 71 1632 2091 1778 -770 110 15 O +ATOM 690 O BLYS A 71 24.735 25.167 1.417 0.49 21.81 O +ANISOU 690 O BLYS A 71 2805 3335 2147 -1549 -1143 969 O +ATOM 691 CB ALYS A 71 23.206 23.932 4.103 0.51 17.98 C +ANISOU 691 CB ALYS A 71 1411 3022 2399 -567 -484 809 C +ATOM 692 CB BLYS A 71 24.002 23.564 3.751 0.49 22.03 C +ANISOU 692 CB BLYS A 71 2679 3183 2507 -529 -1146 1377 C +ATOM 693 CG ALYS A 71 23.782 22.750 3.375 0.51 24.70 C +ANISOU 693 CG ALYS A 71 3231 2548 3604 261 -1024 825 C +ATOM 694 CG BLYS A 71 23.517 23.235 5.176 0.49 22.95 C +ANISOU 694 CG BLYS A 71 3878 2968 1875 -1531 -2065 1294 C +ATOM 695 CD ALYS A 71 24.804 22.085 4.296 0.51 31.78 C +ANISOU 695 CD ALYS A 71 4282 3258 4536 528 -1493 1574 C +ATOM 696 CD BLYS A 71 24.191 21.940 5.634 0.49 31.85 C +ANISOU 696 CD BLYS A 71 5963 3228 2911 -971 -2567 1541 C +ATOM 697 CE ALYS A 71 25.404 20.844 3.650 0.51 38.27 C +ANISOU 697 CE ALYS A 71 5157 3346 6036 1409 -1488 1751 C +ATOM 698 CE BLYS A 71 23.910 21.590 7.070 0.49 37.88 C +ANISOU 698 CE BLYS A 71 7853 3513 3025 -1175 -2637 1959 C +ATOM 699 NZ ALYS A 71 26.844 20.637 3.990 0.51 50.70 N +ANISOU 699 NZ ALYS A 71 4547 6367 8350 1448 -975 -480 N +ATOM 700 NZ BLYS A 71 22.627 20.866 7.283 0.49 49.03 N +ANISOU 700 NZ BLYS A 71 9023 4334 5273 -1858 -444 1875 N +ATOM 701 N ASP A 72 22.441 24.966 0.865 1.00 17.68 N +ANISOU 701 N ASP A 72 2796 1817 2105 -1041 -1245 1020 N +ATOM 702 CA ASP A 72 22.829 25.230 -0.492 1.00 16.86 C +ANISOU 702 CA ASP A 72 2710 1607 2090 -604 -1085 773 C +ATOM 703 C ASP A 72 22.459 26.631 -0.918 1.00 13.98 C +ANISOU 703 C ASP A 72 1796 1535 1981 -697 -696 788 C +ATOM 704 O ASP A 72 21.293 26.945 -0.909 1.00 15.77 O +ANISOU 704 O ASP A 72 1617 2384 1991 -670 -552 1170 O +ATOM 705 CB ASP A 72 22.100 24.277 -1.433 1.00 18.61 C +ANISOU 705 CB ASP A 72 3408 1476 2188 -671 -1206 811 C +ATOM 706 CG ASP A 72 22.719 24.334 -2.810 1.00 19.62 C +ANISOU 706 CG ASP A 72 3796 1383 2275 -120 -1035 473 C +ATOM 707 OD1 ASP A 72 22.488 25.383 -3.415 1.00 21.55 O +ANISOU 707 OD1 ASP A 72 4037 1997 2154 328 -576 896 O +ATOM 708 OD2 ASP A 72 23.345 23.377 -3.288 1.00 22.87 O +ANISOU 708 OD2 ASP A 72 3196 2133 3360 343 -1096 333 O +ATOM 709 N ASP A 73 23.470 27.471 -1.253 1.00 15.02 N +ANISOU 709 N ASP A 73 1617 2038 2053 -735 -708 960 N +ATOM 710 CA ASP A 73 23.085 28.867 -1.466 1.00 16.21 C +ANISOU 710 CA ASP A 73 2336 1793 2031 -1022 -914 825 C +ATOM 711 C ASP A 73 22.061 29.060 -2.588 1.00 11.75 C +ANISOU 711 C ASP A 73 1544 1294 1628 -625 -333 455 C +ATOM 712 O ASP A 73 21.321 30.048 -2.507 1.00 14.75 O +ANISOU 712 O ASP A 73 2630 1180 1795 -225 -252 376 O +ATOM 713 CB ASP A 73 24.286 29.745 -1.712 1.00 23.58 C +ANISOU 713 CB ASP A 73 2622 2796 3543 -1708 -1676 1684 C +ATOM 714 CG ASP A 73 25.040 30.109 -0.426 1.00 38.99 C +ANISOU 714 CG ASP A 73 5088 5564 4162 -4086 -2960 2682 C +ATOM 715 OD1 ASP A 73 24.561 29.740 0.675 1.00 33.99 O +ANISOU 715 OD1 ASP A 73 4881 4458 3576 -2290 -1860 971 O +ATOM 716 OD2 ASP A 73 26.042 30.801 -0.552 1.00 42.00 O +ANISOU 716 OD2 ASP A 73 4148 6434 5374 -3637 -2804 2158 O +ATOM 717 N ASP A 74 22.037 28.208 -3.589 1.00 10.56 N +ANISOU 717 N ASP A 74 1165 1287 1558 -291 -185 517 N +ATOM 718 CA ASP A 74 21.119 28.389 -4.704 1.00 9.58 C +ANISOU 718 CA ASP A 74 998 1205 1438 -289 -33 430 C +ATOM 719 C ASP A 74 19.728 27.805 -4.403 1.00 9.05 C +ANISOU 719 C ASP A 74 1041 1033 1363 -278 -40 399 C +ATOM 720 O ASP A 74 18.790 28.201 -5.076 1.00 9.55 O +ANISOU 720 O ASP A 74 1021 1270 1339 -237 12 524 O +ATOM 721 CB ASP A 74 21.669 27.773 -5.952 1.00 9.81 C +ANISOU 721 CB ASP A 74 1185 1009 1534 -149 -5 387 C +ATOM 722 CG ASP A 74 22.939 28.433 -6.459 1.00 11.77 C +ANISOU 722 CG ASP A 74 1251 1078 2142 -116 392 360 C +ATOM 723 OD1 ASP A 74 23.215 29.583 -6.139 1.00 10.30 O +ANISOU 723 OD1 ASP A 74 1117 1152 1646 -230 -18 446 O +ATOM 724 OD2 ASP A 74 23.659 27.755 -7.227 1.00 18.51 O +ANISOU 724 OD2 ASP A 74 2163 1506 3363 -659 1401 -307 O +ATOM 725 N LEU A 75 19.642 26.851 -3.471 1.00 9.16 N +ANISOU 725 N LEU A 75 1118 1059 1306 -286 -52 391 N +ATOM 726 CA LEU A 75 18.406 26.103 -3.239 1.00 8.60 C +ANISOU 726 CA LEU A 75 1210 971 1086 -366 99 216 C +ATOM 727 C LEU A 75 17.723 26.445 -1.931 1.00 8.70 C +ANISOU 727 C LEU A 75 1343 985 977 -405 10 220 C +ATOM 728 O LEU A 75 16.599 25.969 -1.675 1.00 9.42 O +ANISOU 728 O LEU A 75 1466 1097 1015 -467 238 94 O +ATOM 729 CB LEU A 75 18.648 24.598 -3.327 1.00 10.10 C +ANISOU 729 CB LEU A 75 1530 1065 1243 -374 141 161 C +ATOM 730 CG LEU A 75 19.392 24.148 -4.588 1.00 13.16 C +ANISOU 730 CG LEU A 75 2166 1204 1629 -423 734 73 C +ATOM 731 CD1 LEU A 75 19.616 22.638 -4.537 1.00 16.48 C +ANISOU 731 CD1 LEU A 75 2847 1182 2233 -335 1126 -65 C +ATOM 732 CD2 LEU A 75 18.673 24.567 -5.846 1.00 16.30 C +ANISOU 732 CD2 LEU A 75 3248 1607 1337 -1029 311 -22 C +ATOM 733 N LYS A 76 18.357 27.266 -1.081 1.00 9.46 N +ANISOU 733 N LYS A 76 1414 1107 1073 -445 -19 215 N +ATOM 734 CA LYS A 76 17.842 27.500 0.283 1.00 10.16 C +ANISOU 734 CA LYS A 76 1741 1095 1027 -497 -173 201 C +ATOM 735 C LYS A 76 16.560 28.297 0.366 1.00 10.24 C +ANISOU 735 C LYS A 76 1970 850 1070 -363 36 0 C +ATOM 736 O LYS A 76 15.951 28.332 1.465 1.00 11.60 O +ANISOU 736 O LYS A 76 2245 1108 1056 -345 121 86 O +ATOM 737 CB LYS A 76 18.949 28.133 1.144 1.00 12.31 C +ANISOU 737 CB LYS A 76 2164 1302 1211 -658 -354 134 C +ATOM 738 CG LYS A 76 19.342 29.515 0.670 1.00 13.92 C +ANISOU 738 CG LYS A 76 2434 1386 1467 -903 -469 139 C +ATOM 739 CD LYS A 76 20.424 30.099 1.597 1.00 19.87 C +ANISOU 739 CD LYS A 76 3360 2141 2047 -1460 -914 135 C +ATOM 740 CE LYS A 76 20.927 31.423 1.018 1.00 34.66 C +ANISOU 740 CE LYS A 76 6606 2836 3726 -3184 -2604 962 C +ATOM 741 NZ LYS A 76 22.180 31.869 1.742 1.00 45.94 N +ANISOU 741 NZ LYS A 76 6142 4944 6368 -4019 -2514 584 N +ATOM 742 N ASN A 77 16.125 28.927 -0.716 1.00 9.44 N +ANISOU 742 N ASN A 77 1649 906 1032 -525 -53 68 N +ATOM 743 CA ASN A 77 14.849 29.661 -0.700 1.00 9.77 C +ANISOU 743 CA ASN A 77 1611 887 1215 -454 158 -12 C +ATOM 744 C ASN A 77 13.727 28.887 -1.372 1.00 9.58 C +ANISOU 744 C ASN A 77 1571 958 1112 -418 92 53 C +ATOM 745 O ASN A 77 12.606 29.415 -1.448 1.00 11.27 O +ANISOU 745 O ASN A 77 1496 1086 1701 -394 153 -216 O +ATOM 746 CB ASN A 77 14.981 31.048 -1.348 1.00 10.74 C +ANISOU 746 CB ASN A 77 1715 877 1490 -429 -79 60 C +ATOM 747 CG ASN A 77 15.749 32.007 -0.496 1.00 11.88 C +ANISOU 747 CG ASN A 77 1988 850 1676 -422 -155 8 C +ATOM 748 OD1 ASN A 77 16.078 31.713 0.663 1.00 17.70 O +ANISOU 748 OD1 ASN A 77 3554 1224 1946 -894 -964 115 O +ATOM 749 ND2 ASN A 77 15.957 33.191 -1.052 1.00 11.31 N +ANISOU 749 ND2 ASN A 77 1629 890 1778 -409 148 -61 N +ATOM 750 N VAL A 78 13.954 27.667 -1.820 1.00 8.82 N +ANISOU 750 N VAL A 78 1446 857 1050 -472 27 69 N +ATOM 751 CA VAL A 78 12.849 26.856 -2.353 1.00 8.80 C +ANISOU 751 CA VAL A 78 1357 974 1014 -441 -41 41 C +ATOM 752 C VAL A 78 11.974 26.502 -1.156 1.00 7.50 C +ANISOU 752 C VAL A 78 1183 712 954 -206 -59 8 C +ATOM 753 O VAL A 78 12.443 25.886 -0.178 1.00 7.17 O +ANISOU 753 O VAL A 78 992 828 906 -77 34 136 O +ATOM 754 CB VAL A 78 13.382 25.571 -2.992 1.00 9.25 C +ANISOU 754 CB VAL A 78 1491 1057 967 -540 175 -91 C +ATOM 755 CG1 VAL A 78 12.192 24.683 -3.449 1.00 10.97 C +ANISOU 755 CG1 VAL A 78 1755 1285 1128 -723 184 -231 C +ATOM 756 CG2 VAL A 78 14.287 25.844 -4.182 1.00 10.85 C +ANISOU 756 CG2 VAL A 78 1647 1395 1081 -595 215 -83 C +ATOM 757 N PRO A 79 10.706 26.846 -1.174 1.00 7.86 N +ANISOU 757 N PRO A 79 1161 764 1063 -200 -246 184 N +ATOM 758 CA PRO A 79 9.839 26.475 -0.047 1.00 7.85 C +ANISOU 758 CA PRO A 79 911 721 1350 -59 -140 10 C +ATOM 759 C PRO A 79 9.669 24.986 0.094 1.00 6.92 C +ANISOU 759 C PRO A 79 839 780 1010 -78 -86 74 C +ATOM 760 O PRO A 79 9.502 24.277 -0.905 1.00 7.48 O +ANISOU 760 O PRO A 79 1291 713 838 -153 -178 36 O +ATOM 761 CB PRO A 79 8.483 27.192 -0.406 1.00 13.13 C +ANISOU 761 CB PRO A 79 1031 762 3194 106 -247 104 C +ATOM 762 CG PRO A 79 8.904 28.223 -1.387 1.00 15.10 C +ANISOU 762 CG PRO A 79 1759 1309 2668 127 -924 440 C +ATOM 763 CD PRO A 79 10.018 27.699 -2.176 1.00 12.14 C +ANISOU 763 CD PRO A 79 1611 1017 1982 -487 -912 569 C +ATOM 764 N AILE A 80 9.719 24.489 1.325 0.54 6.79 N +ANISOU 764 N AILE A 80 941 765 874 -213 -167 -25 N +ATOM 765 N BILE A 80 9.677 24.561 1.354 0.46 6.62 N +ANISOU 765 N BILE A 80 1003 657 857 -67 167 -101 N +ATOM 766 CA AILE A 80 9.689 23.089 1.678 0.54 6.67 C +ANISOU 766 CA AILE A 80 935 797 803 -138 -38 24 C +ATOM 767 CA BILE A 80 9.528 23.157 1.672 0.46 6.61 C +ANISOU 767 CA BILE A 80 962 727 821 -134 -65 -17 C +ATOM 768 C AILE A 80 8.516 22.828 2.631 0.54 7.10 C +ANISOU 768 C AILE A 80 1073 581 1045 -172 245 -353 C +ATOM 769 C BILE A 80 8.358 22.975 2.629 0.46 6.04 C +ANISOU 769 C BILE A 80 859 884 551 -152 -219 49 C +ATOM 770 O AILE A 80 8.495 23.404 3.729 0.54 6.49 O +ANISOU 770 O AILE A 80 962 730 774 -177 -58 -76 O +ATOM 771 O BILE A 80 8.197 23.661 3.638 0.46 6.86 O +ANISOU 771 O BILE A 80 925 912 769 -165 -66 -66 O +ATOM 772 CB AILE A 80 10.992 22.643 2.376 0.54 7.30 C +ANISOU 772 CB AILE A 80 994 880 897 -264 -77 277 C +ATOM 773 CB BILE A 80 10.793 22.562 2.308 0.46 7.73 C +ANISOU 773 CB BILE A 80 1003 821 1111 39 -33 -53 C +ATOM 774 CG1AILE A 80 12.271 23.024 1.617 0.54 7.37 C +ANISOU 774 CG1AILE A 80 878 1022 900 -246 -68 30 C +ATOM 775 CG1BILE A 80 12.017 22.865 1.448 0.46 9.14 C +ANISOU 775 CG1BILE A 80 1069 716 1687 213 255 143 C +ATOM 776 CG2AILE A 80 10.913 21.134 2.710 0.54 8.37 C +ANISOU 776 CG2AILE A 80 1231 813 1136 -232 -199 240 C +ATOM 777 CG2BILE A 80 10.634 21.065 2.595 0.46 8.20 C +ANISOU 777 CG2BILE A 80 1233 859 1023 -18 20 128 C +ATOM 778 CD1AILE A 80 12.308 22.467 0.189 0.54 6.10 C +ANISOU 778 CD1AILE A 80 624 657 1038 14 -109 -113 C +ATOM 779 CD1BILE A 80 13.321 22.256 1.882 0.46 15.69 C +ANISOU 779 CD1BILE A 80 1193 2789 1980 555 171 905 C +ATOM 780 N VAL A 81 7.555 21.981 2.234 1.00 6.43 N +ANISOU 780 N VAL A 81 1019 790 634 -188 -38 -38 N +ATOM 781 CA VAL A 81 6.525 21.466 3.111 1.00 6.48 C +ANISOU 781 CA VAL A 81 934 792 735 -77 33 -64 C +ATOM 782 C VAL A 81 6.894 20.023 3.476 1.00 5.83 C +ANISOU 782 C VAL A 81 784 711 719 -53 15 -98 C +ATOM 783 O VAL A 81 6.944 19.161 2.611 1.00 6.88 O +ANISOU 783 O VAL A 81 1153 749 712 49 32 -109 O +ATOM 784 CB VAL A 81 5.129 21.455 2.434 1.00 7.45 C +ANISOU 784 CB VAL A 81 926 891 1013 10 -79 23 C +ATOM 785 CG1 VAL A 81 4.090 20.906 3.391 1.00 8.85 C +ANISOU 785 CG1 VAL A 81 836 1233 1295 -86 100 -90 C +ATOM 786 CG2 VAL A 81 4.746 22.819 1.876 1.00 9.74 C +ANISOU 786 CG2 VAL A 81 1419 1026 1255 257 -189 -34 C +ATOM 787 N ILE A 82 7.169 19.794 4.750 1.00 6.08 N +ANISOU 787 N ILE A 82 885 660 765 -108 31 -130 N +ATOM 788 CA ILE A 82 7.418 18.437 5.257 1.00 5.73 C +ANISOU 788 CA ILE A 82 835 660 683 -36 68 -115 C +ATOM 789 C ILE A 82 6.088 17.725 5.485 1.00 6.03 C +ANISOU 789 C ILE A 82 862 754 677 -40 80 -126 C +ATOM 790 O ILE A 82 5.171 18.305 6.068 1.00 7.16 O +ANISOU 790 O ILE A 82 1014 819 890 -52 241 -189 O +ATOM 791 CB ILE A 82 8.215 18.520 6.563 1.00 7.09 C +ANISOU 791 CB ILE A 82 1054 810 828 -105 -77 -55 C +ATOM 792 CG1 ILE A 82 9.665 18.914 6.333 1.00 8.76 C +ANISOU 792 CG1 ILE A 82 1144 1139 1044 -392 -207 8 C +ATOM 793 CG2 ILE A 82 8.103 17.215 7.374 1.00 8.08 C +ANISOU 793 CG2 ILE A 82 1178 939 955 -180 -166 143 C +ATOM 794 CD1 ILE A 82 10.531 17.819 5.813 1.00 11.51 C +ANISOU 794 CD1 ILE A 82 1022 2168 1182 -163 28 -508 C +ATOM 795 N ILE A 83 6.023 16.465 5.050 1.00 6.01 N +ANISOU 795 N ILE A 83 742 818 723 -44 98 -150 N +ATOM 796 CA ILE A 83 4.931 15.568 5.441 1.00 5.78 C +ANISOU 796 CA ILE A 83 808 662 725 -33 81 -90 C +ATOM 797 C ILE A 83 5.545 14.427 6.239 1.00 6.18 C +ANISOU 797 C ILE A 83 797 823 728 -4 -50 -105 C +ATOM 798 O ILE A 83 6.483 13.731 5.811 1.00 6.90 O +ANISOU 798 O ILE A 83 929 982 712 147 43 -68 O +ATOM 799 CB ILE A 83 4.091 15.099 4.243 1.00 5.86 C +ANISOU 799 CB ILE A 83 737 770 719 -60 25 22 C +ATOM 800 CG1 ILE A 83 4.904 14.406 3.141 1.00 6.31 C +ANISOU 800 CG1 ILE A 83 750 829 820 19 -3 -122 C +ATOM 801 CG2 ILE A 83 3.257 16.251 3.717 1.00 7.01 C +ANISOU 801 CG2 ILE A 83 935 831 898 83 -37 -26 C +ATOM 802 CD1 ILE A 83 4.031 13.816 2.020 1.00 7.07 C +ANISOU 802 CD1 ILE A 83 976 853 858 -61 -142 -99 C +ATOM 803 N GLY A 84 5.042 14.218 7.458 1.00 6.85 N +ANISOU 803 N GLY A 84 944 971 687 133 45 -23 N +ATOM 804 CA GLY A 84 5.627 13.190 8.293 1.00 8.37 C +ANISOU 804 CA GLY A 84 1260 1201 717 358 87 26 C +ATOM 805 C GLY A 84 4.932 13.112 9.639 1.00 6.59 C +ANISOU 805 C GLY A 84 932 898 674 100 -96 -59 C +ATOM 806 O GLY A 84 3.909 13.751 9.883 1.00 7.11 O +ANISOU 806 O GLY A 84 973 1053 677 228 -31 -61 O +ATOM 807 N ASN A 85 5.489 12.294 10.507 1.00 6.82 N +ANISOU 807 N ASN A 85 908 913 769 146 81 13 N +ATOM 808 CA ASN A 85 4.940 12.124 11.840 1.00 6.41 C +ANISOU 808 CA ASN A 85 845 831 758 75 71 58 C +ATOM 809 C ASN A 85 5.108 13.401 12.641 1.00 6.22 C +ANISOU 809 C ASN A 85 853 709 802 47 121 52 C +ATOM 810 O ASN A 85 6.244 13.879 12.797 1.00 6.58 O +ANISOU 810 O ASN A 85 728 840 932 50 122 23 O +ATOM 811 CB ASN A 85 5.660 10.956 12.522 1.00 7.04 C +ANISOU 811 CB ASN A 85 1009 831 834 113 41 -18 C +ATOM 812 CG ASN A 85 5.037 10.543 13.829 1.00 6.69 C +ANISOU 812 CG ASN A 85 909 760 873 17 -114 89 C +ATOM 813 OD1 ASN A 85 4.442 11.371 14.546 1.00 6.91 O +ANISOU 813 OD1 ASN A 85 951 732 943 -10 116 36 O +ATOM 814 ND2 ASN A 85 5.190 9.270 14.154 1.00 8.59 N +ANISOU 814 ND2 ASN A 85 1369 846 1048 253 75 157 N +ATOM 815 N PRO A 86 4.018 13.985 13.172 1.00 6.07 N +ANISOU 815 N PRO A 86 719 699 890 13 60 41 N +ATOM 816 CA PRO A 86 4.181 15.255 13.900 1.00 6.63 C +ANISOU 816 CA PRO A 86 746 704 1072 55 123 7 C +ATOM 817 C PRO A 86 5.045 15.117 15.154 1.00 6.38 C +ANISOU 817 C PRO A 86 734 749 942 -73 206 -97 C +ATOM 818 O PRO A 86 5.468 16.156 15.681 1.00 7.33 O +ANISOU 818 O PRO A 86 922 779 1086 -91 190 -139 O +ATOM 819 CB PRO A 86 2.744 15.670 14.199 1.00 8.07 C +ANISOU 819 CB PRO A 86 797 819 1452 106 191 43 C +ATOM 820 CG PRO A 86 1.938 14.418 14.078 1.00 8.25 C +ANISOU 820 CG PRO A 86 763 1202 1170 -94 142 -250 C +ATOM 821 CD PRO A 86 2.624 13.579 13.071 1.00 6.36 C +ANISOU 821 CD PRO A 86 739 817 860 4 13 56 C +ATOM 822 N ASP A 87 5.352 13.899 15.628 1.00 6.23 N +ANISOU 822 N ASP A 87 796 725 845 -74 128 -64 N +ATOM 823 CA ASP A 87 6.281 13.729 16.729 1.00 6.82 C +ANISOU 823 CA ASP A 87 926 851 814 -69 126 -36 C +ATOM 824 C ASP A 87 7.679 14.259 16.437 1.00 7.13 C +ANISOU 824 C ASP A 87 985 902 823 -194 20 48 C +ATOM 825 O ASP A 87 8.473 14.410 17.367 1.00 9.51 O +ANISOU 825 O ASP A 87 1156 1532 925 -446 -99 189 O +ATOM 826 CB ASP A 87 6.367 12.267 17.140 1.00 6.94 C +ANISOU 826 CB ASP A 87 910 880 847 -61 63 72 C +ATOM 827 CG ASP A 87 5.253 11.705 17.951 1.00 9.33 C +ANISOU 827 CG ASP A 87 1009 1048 1490 -183 143 183 C +ATOM 828 OD1 ASP A 87 4.442 12.504 18.448 1.00 13.31 O +ANISOU 828 OD1 ASP A 87 1432 1502 2122 -73 828 278 O +ATOM 829 OD2 ASP A 87 5.223 10.465 18.094 1.00 11.01 O +ANISOU 829 OD2 ASP A 87 1302 1113 1767 -335 -281 389 O +ATOM 830 N GLY A 88 8.032 14.564 15.185 1.00 5.85 N +ANISOU 830 N GLY A 88 725 662 837 -27 45 11 N +ATOM 831 CA GLY A 88 9.338 15.135 14.851 1.00 6.32 C +ANISOU 831 CA GLY A 88 757 753 892 -24 69 6 C +ATOM 832 C GLY A 88 9.352 16.636 14.640 1.00 5.63 C +ANISOU 832 C GLY A 88 783 703 654 -72 129 -4 C +ATOM 833 O GLY A 88 10.409 17.232 14.498 1.00 6.15 O +ANISOU 833 O GLY A 88 756 783 796 -75 -8 34 O +ATOM 834 N PHE A 89 8.147 17.270 14.552 1.00 5.57 N +ANISOU 834 N PHE A 89 743 655 720 -76 19 -8 N +ATOM 835 CA PHE A 89 8.090 18.652 14.080 1.00 5.95 C +ANISOU 835 CA PHE A 89 771 665 826 -83 1 5 C +ATOM 836 C PHE A 89 8.712 19.616 15.093 1.00 6.24 C +ANISOU 836 C PHE A 89 840 741 791 -66 -23 -4 C +ATOM 837 O PHE A 89 9.361 20.576 14.697 1.00 7.10 O +ANISOU 837 O PHE A 89 930 785 982 -134 -88 31 O +ATOM 838 CB PHE A 89 6.657 19.078 13.818 1.00 6.46 C +ANISOU 838 CB PHE A 89 900 637 916 -10 -66 -3 C +ATOM 839 CG PHE A 89 5.922 18.343 12.720 1.00 6.19 C +ANISOU 839 CG PHE A 89 831 639 881 -67 -40 22 C +ATOM 840 CD1 PHE A 89 6.554 17.469 11.837 1.00 6.28 C +ANISOU 840 CD1 PHE A 89 828 744 815 -47 -91 6 C +ATOM 841 CD2 PHE A 89 4.558 18.552 12.557 1.00 7.05 C +ANISOU 841 CD2 PHE A 89 774 817 1088 -34 -27 39 C +ATOM 842 CE1 PHE A 89 5.837 16.840 10.817 1.00 7.04 C +ANISOU 842 CE1 PHE A 89 955 818 901 -98 -98 58 C +ATOM 843 CE2 PHE A 89 3.846 17.916 11.556 1.00 7.41 C +ANISOU 843 CE2 PHE A 89 874 869 1071 -57 -185 134 C +ATOM 844 CZ PHE A 89 4.476 17.067 10.678 1.00 7.64 C +ANISOU 844 CZ PHE A 89 925 1002 975 -190 -113 42 C +ATOM 845 N ALA A 90 8.459 19.426 16.393 1.00 7.07 N +ANISOU 845 N ALA A 90 1002 775 911 -176 46 -158 N +ATOM 846 CA ALA A 90 8.936 20.393 17.371 1.00 7.64 C +ANISOU 846 CA ALA A 90 1027 934 940 -79 -102 -236 C +ATOM 847 C ALA A 90 10.463 20.478 17.312 1.00 7.26 C +ANISOU 847 C ALA A 90 1037 940 782 -118 -49 -208 C +ATOM 848 O ALA A 90 11.036 21.568 17.402 1.00 8.29 O +ANISOU 848 O ALA A 90 1154 852 1143 -153 -147 -231 O +ATOM 849 CB ALA A 90 8.459 20.051 18.762 1.00 9.18 C +ANISOU 849 CB ALA A 90 1156 1377 955 -246 66 -368 C +ATOM 850 N GLN A 91 11.142 19.337 17.196 1.00 6.83 N +ANISOU 850 N GLN A 91 951 867 776 -189 -66 -53 N +ATOM 851 CA GLN A 91 12.602 19.349 17.096 1.00 6.70 C +ANISOU 851 CA GLN A 91 946 862 739 -100 -80 -88 C +ATOM 852 C GLN A 91 13.031 20.084 15.835 1.00 6.42 C +ANISOU 852 C GLN A 91 912 800 725 -67 -82 -50 C +ATOM 853 O GLN A 91 13.933 20.957 15.863 1.00 7.42 O +ANISOU 853 O GLN A 91 1063 940 815 -241 -154 -63 O +ATOM 854 CB GLN A 91 13.166 17.936 17.085 1.00 7.05 C +ANISOU 854 CB GLN A 91 1110 855 714 -106 -117 -42 C +ATOM 855 CG GLN A 91 13.177 17.255 18.435 1.00 8.11 C +ANISOU 855 CG GLN A 91 1271 940 872 -124 -33 27 C +ATOM 856 CD GLN A 91 14.267 17.748 19.351 1.00 8.36 C +ANISOU 856 CD GLN A 91 1414 852 910 37 -230 137 C +ATOM 857 OE1 GLN A 91 15.290 18.271 18.935 1.00 10.84 O +ANISOU 857 OE1 GLN A 91 1446 1245 1426 -315 -498 444 O +ATOM 858 NE2 GLN A 91 14.072 17.528 20.664 1.00 11.23 N +ANISOU 858 NE2 GLN A 91 2084 1257 925 130 -175 70 N +ATOM 859 N HIS A 92 12.448 19.752 14.699 1.00 6.34 N +ANISOU 859 N HIS A 92 928 773 708 -117 -77 -15 N +ATOM 860 CA HIS A 92 12.967 20.285 13.460 1.00 6.08 C +ANISOU 860 CA HIS A 92 877 754 681 -104 -78 0 C +ATOM 861 C HIS A 92 12.724 21.799 13.322 1.00 5.92 C +ANISOU 861 C HIS A 92 799 740 711 -59 -70 -99 C +ATOM 862 O HIS A 92 13.553 22.527 12.757 1.00 6.39 O +ANISOU 862 O HIS A 92 929 752 748 -88 -24 -34 O +ATOM 863 CB HIS A 92 12.375 19.520 12.261 1.00 6.05 C +ANISOU 863 CB HIS A 92 865 677 758 -78 -96 -93 C +ATOM 864 CG HIS A 92 13.166 19.763 11.017 1.00 6.16 C +ANISOU 864 CG HIS A 92 993 627 720 -19 -48 -93 C +ATOM 865 ND1 HIS A 92 12.726 20.548 9.992 1.00 6.51 N +ANISOU 865 ND1 HIS A 92 1021 718 733 4 -53 -1 N +ATOM 866 CD2 HIS A 92 14.402 19.340 10.718 1.00 6.69 C +ANISOU 866 CD2 HIS A 92 993 781 769 8 -69 -114 C +ATOM 867 CE1 HIS A 92 13.691 20.582 9.094 1.00 6.96 C +ANISOU 867 CE1 HIS A 92 1096 792 757 -101 42 -87 C +ATOM 868 NE2 HIS A 92 14.728 19.875 9.498 1.00 7.30 N +ANISOU 868 NE2 HIS A 92 1023 920 830 -159 24 -143 N +ATOM 869 N ARG A 93 11.602 22.260 13.857 1.00 6.15 N +ANISOU 869 N ARG A 93 863 685 789 -107 -27 -97 N +ATOM 870 CA ARG A 93 11.242 23.687 13.784 1.00 6.73 C +ANISOU 870 CA ARG A 93 884 689 983 -31 -68 -208 C +ATOM 871 C ARG A 93 12.291 24.562 14.455 1.00 7.40 C +ANISOU 871 C ARG A 93 1037 747 1028 -71 -13 -285 C +ATOM 872 O ARG A 93 12.406 25.762 14.115 1.00 9.48 O +ANISOU 872 O ARG A 93 1233 724 1645 -154 -222 -221 O +ATOM 873 CB ARG A 93 9.894 23.930 14.457 1.00 7.10 C +ANISOU 873 CB ARG A 93 980 850 866 -28 -62 -166 C +ATOM 874 CG ARG A 93 8.714 23.528 13.590 1.00 7.16 C +ANISOU 874 CG ARG A 93 1003 766 949 -64 -70 -141 C +ATOM 875 CD ARG A 93 7.443 23.559 14.398 1.00 9.57 C +ANISOU 875 CD ARG A 93 991 1047 1599 8 141 -55 C +ATOM 876 NE ARG A 93 6.280 23.406 13.522 1.00 13.09 N +ANISOU 876 NE ARG A 93 1099 1588 2287 -232 193 -664 N +ATOM 877 CZ ARG A 93 5.157 22.871 13.576 1.00 13.21 C +ANISOU 877 CZ ARG A 93 1088 1805 2126 -15 407 -775 C +ATOM 878 NH1 ARG A 93 4.909 22.182 14.711 1.00 17.96 N +ANISOU 878 NH1 ARG A 93 2323 1173 3327 184 1257 -80 N +ATOM 879 NH2 ARG A 93 4.212 22.828 12.740 1.00 16.48 N +ANISOU 879 NH2 ARG A 93 1068 2424 2769 -422 344 -1452 N +ATOM 880 N ALYS A 94 13.072 24.069 15.403 0.52 7.70 N +ANISOU 880 N ALYS A 94 964 810 1150 -113 -115 -365 N +ATOM 881 N BLYS A 94 13.005 23.981 15.416 0.48 7.44 N +ANISOU 881 N BLYS A 94 961 936 929 -283 -16 -272 N +ATOM 882 CA ALYS A 94 14.051 24.933 16.064 0.52 7.48 C +ANISOU 882 CA ALYS A 94 975 906 960 -289 -95 -120 C +ATOM 883 CA BLYS A 94 14.027 24.648 16.209 0.48 8.24 C +ANISOU 883 CA BLYS A 94 923 1079 1129 -133 -53 -456 C +ATOM 884 C ALYS A 94 15.284 25.206 15.217 0.52 7.69 C +ANISOU 884 C ALYS A 94 1072 823 1027 -167 -11 -87 C +ATOM 885 C BLYS A 94 15.339 24.826 15.462 0.48 9.13 C +ANISOU 885 C BLYS A 94 1009 1283 1176 -407 -44 -477 C +ATOM 886 O ALYS A 94 15.987 26.205 15.484 0.52 7.04 O +ANISOU 886 O ALYS A 94 1084 639 954 -156 -58 62 O +ATOM 887 O BLYS A 94 16.239 25.510 16.006 0.48 10.18 O +ANISOU 887 O BLYS A 94 1094 1223 1550 -420 -353 -345 O +ATOM 888 CB ALYS A 94 14.495 24.253 17.352 0.52 6.88 C +ANISOU 888 CB ALYS A 94 909 663 1044 -108 -79 -181 C +ATOM 889 CB BLYS A 94 14.323 23.875 17.502 0.48 9.17 C +ANISOU 889 CB BLYS A 94 1033 1306 1147 -377 -211 -382 C +ATOM 890 CG ALYS A 94 13.323 24.038 18.300 0.52 8.15 C +ANISOU 890 CG ALYS A 94 1267 889 940 -136 79 -207 C +ATOM 891 CG BLYS A 94 13.254 24.020 18.566 0.48 9.62 C +ANISOU 891 CG BLYS A 94 864 1777 1014 -191 -314 -398 C +ATOM 892 CD ALYS A 94 13.793 23.382 19.571 0.52 9.07 C +ANISOU 892 CD ALYS A 94 1034 1175 1238 -222 -16 99 C +ATOM 893 CD BLYS A 94 13.513 23.077 19.723 0.48 11.04 C +ANISOU 893 CD BLYS A 94 1134 1925 1134 -487 -383 -227 C +ATOM 894 CE ALYS A 94 12.803 23.444 20.690 0.52 11.36 C +ANISOU 894 CE ALYS A 94 1437 1866 1015 -608 21 25 C +ATOM 895 CE BLYS A 94 12.549 23.191 20.867 0.48 12.76 C +ANISOU 895 CE BLYS A 94 2088 1575 1187 -427 -29 -388 C +ATOM 896 NZ ALYS A 94 11.493 22.833 20.361 0.52 8.66 N +ANISOU 896 NZ ALYS A 94 982 1270 1036 15 58 -30 N +ATOM 897 NZ BLYS A 94 11.140 22.954 20.495 0.48 14.90 N +ANISOU 897 NZ BLYS A 94 1643 1276 2743 -362 711 -1050 N +ATOM 898 N LEU A 95 15.518 24.294 14.285 1.00 7.58 N +ANISOU 898 N LEU A 95 921 1002 955 -225 -74 -89 N +ATOM 899 CA LEU A 95 16.818 24.293 13.603 1.00 7.34 C +ANISOU 899 CA LEU A 95 894 1004 891 -169 -81 -35 C +ATOM 900 C LEU A 95 16.936 25.377 12.601 1.00 7.92 C +ANISOU 900 C LEU A 95 1190 898 923 -139 -62 -121 C +ATOM 901 O LEU A 95 15.978 25.830 12.000 1.00 8.49 O +ANISOU 901 O LEU A 95 1305 936 985 -13 -47 -78 O +ATOM 902 CB LEU A 95 17.030 22.956 12.940 1.00 8.30 C +ANISOU 902 CB LEU A 95 908 995 1253 -90 -52 53 C +ATOM 903 CG LEU A 95 16.938 21.724 13.844 1.00 10.25 C +ANISOU 903 CG LEU A 95 989 1023 1883 -63 66 368 C +ATOM 904 CD1 LEU A 95 17.286 20.480 13.041 1.00 13.09 C +ANISOU 904 CD1 LEU A 95 1251 929 2792 -189 110 241 C +ATOM 905 CD2 LEU A 95 17.831 21.901 15.078 1.00 12.57 C +ANISOU 905 CD2 LEU A 95 1298 1619 1860 -50 -49 737 C +ATOM 906 N LYS A 96 18.196 25.742 12.284 1.00 9.11 N +ANISOU 906 N LYS A 96 1223 1089 1149 -360 -53 19 N +ATOM 907 CA LYS A 96 18.467 26.663 11.195 1.00 10.48 C +ANISOU 907 CA LYS A 96 1686 985 1313 -358 53 81 C +ATOM 908 C LYS A 96 17.883 26.181 9.891 1.00 10.58 C +ANISOU 908 C LYS A 96 1405 1411 1204 -443 73 132 C +ATOM 909 O LYS A 96 17.428 27.021 9.078 1.00 13.75 O +ANISOU 909 O LYS A 96 1945 1730 1550 -565 -106 520 O +ATOM 910 CB LYS A 96 19.977 26.859 10.993 1.00 15.81 C +ANISOU 910 CB LYS A 96 2047 2187 1773 -1455 -310 629 C +ATOM 911 CG LYS A 96 20.819 27.566 11.969 1.00 18.75 C +ANISOU 911 CG LYS A 96 1762 2731 2630 -626 184 -1170 C +ATOM 912 CD LYS A 96 22.223 27.907 11.485 1.00 22.86 C +ANISOU 912 CD LYS A 96 1517 3465 3704 -700 174 -1798 C +ATOM 913 CE LYS A 96 23.086 26.676 11.172 1.00 24.14 C +ANISOU 913 CE LYS A 96 1627 3820 3726 -330 -74 -1721 C +ATOM 914 NZ LYS A 96 24.512 27.127 10.997 1.00 25.55 N +ANISOU 914 NZ LYS A 96 1577 5299 2831 -537 245 -2082 N +ATOM 915 N ALA A 97 17.870 24.881 9.692 1.00 9.99 N +ANISOU 915 N ALA A 97 1176 1507 1112 -193 57 -230 N +ATOM 916 CA ALA A 97 17.338 24.324 8.423 1.00 11.63 C +ANISOU 916 CA ALA A 97 1343 1856 1219 -102 46 -445 C +ATOM 917 C ALA A 97 15.878 23.903 8.517 1.00 9.13 C +ANISOU 917 C ALA A 97 1301 1284 882 -27 -71 -117 C +ATOM 918 O ALA A 97 15.420 23.052 7.743 1.00 10.56 O +ANISOU 918 O ALA A 97 1658 1235 1120 -252 276 -327 O +ATOM 919 CB ALA A 97 18.208 23.199 7.958 1.00 15.10 C +ANISOU 919 CB ALA A 97 1626 2108 2006 200 82 -676 C +ATOM 920 N HIS A 98 15.114 24.560 9.393 1.00 7.87 N +ANISOU 920 N HIS A 98 1202 947 839 -119 -38 -86 N +ATOM 921 CA HIS A 98 13.696 24.255 9.472 1.00 7.68 C +ANISOU 921 CA HIS A 98 1185 903 830 -61 -78 -14 C +ATOM 922 C HIS A 98 13.037 24.416 8.103 1.00 7.92 C +ANISOU 922 C HIS A 98 1329 892 789 -212 -98 17 C +ATOM 923 O HIS A 98 13.401 25.210 7.269 1.00 9.61 O +ANISOU 923 O HIS A 98 1566 1214 872 -381 -160 131 O +ATOM 924 CB HIS A 98 13.016 25.147 10.494 1.00 7.92 C +ANISOU 924 CB HIS A 98 1314 925 771 -110 -118 -71 C +ATOM 925 CG HIS A 98 13.027 26.614 10.162 1.00 8.81 C +ANISOU 925 CG HIS A 98 1396 986 963 97 -72 -103 C +ATOM 926 ND1 HIS A 98 12.142 27.164 9.272 1.00 12.94 N +ANISOU 926 ND1 HIS A 98 2190 1190 1535 357 -630 -130 N +ATOM 927 CD2 HIS A 98 13.861 27.593 10.566 1.00 10.51 C +ANISOU 927 CD2 HIS A 98 2056 811 1128 -34 -201 -189 C +ATOM 928 CE1 HIS A 98 12.395 28.425 9.178 1.00 14.34 C +ANISOU 928 CE1 HIS A 98 2510 1221 1720 529 -340 -207 C +ATOM 929 NE2 HIS A 98 13.392 28.782 9.912 1.00 13.49 N +ANISOU 929 NE2 HIS A 98 2814 970 1341 28 -275 -70 N +ATOM 930 N ALA A 99 11.957 23.624 7.921 1.00 7.57 N +ANISOU 930 N ALA A 99 1189 969 717 -111 -61 1 N +ATOM 931 CA ALA A 99 11.098 23.717 6.742 1.00 7.81 C +ANISOU 931 CA ALA A 99 1236 876 856 -93 -121 -76 C +ATOM 932 C ALA A 99 10.166 24.894 6.885 1.00 7.69 C +ANISOU 932 C ALA A 99 1257 769 896 -249 -101 -25 C +ATOM 933 O ALA A 99 10.091 25.562 7.917 1.00 9.27 O +ANISOU 933 O ALA A 99 1655 926 942 13 -220 -131 O +ATOM 934 CB ALA A 99 10.343 22.421 6.558 1.00 8.08 C +ANISOU 934 CB ALA A 99 1263 796 1013 -87 -70 -143 C +ATOM 935 N ASP A 100 9.434 25.190 5.807 1.00 8.24 N +ANISOU 935 N ASP A 100 1366 833 933 -130 -302 -58 N +ATOM 936 CA ASP A 100 8.510 26.310 5.784 1.00 9.19 C +ANISOU 936 CA ASP A 100 1569 647 1274 -210 -424 -7 C +ATOM 937 C ASP A 100 7.141 25.980 6.339 1.00 9.41 C +ANISOU 937 C ASP A 100 1437 698 1440 -29 -341 -90 C +ATOM 938 O ASP A 100 6.431 26.844 6.877 1.00 15.21 O +ANISOU 938 O ASP A 100 1542 775 3460 42 -247 -517 O +ATOM 939 CB ASP A 100 8.481 26.866 4.364 1.00 11.82 C +ANISOU 939 CB ASP A 100 2280 934 1279 -371 -724 150 C +ATOM 940 CG ASP A 100 9.914 27.232 3.957 1.00 13.97 C +ANISOU 940 CG ASP A 100 2834 909 1566 -963 -110 -1 C +ATOM 941 OD1 ASP A 100 10.462 28.219 4.535 1.00 15.97 O +ANISOU 941 OD1 ASP A 100 2519 1120 2427 -561 -314 -399 O +ATOM 942 OD2 ASP A 100 10.582 26.483 3.203 1.00 13.99 O +ANISOU 942 OD2 ASP A 100 2738 1401 1175 -1052 -253 -163 O +ATOM 943 N AGLU A 101 6.663 24.748 6.188 0.51 8.13 N +ANISOU 943 N AGLU A 101 1149 716 1224 53 -162 -36 N +ATOM 944 N BGLU A 101 6.798 24.700 6.237 0.49 8.84 N +ANISOU 944 N BGLU A 101 1423 790 1144 -155 294 -227 N +ATOM 945 CA AGLU A 101 5.373 24.261 6.684 0.51 7.93 C +ANISOU 945 CA AGLU A 101 1341 711 960 21 -49 -174 C +ATOM 946 CA BGLU A 101 5.535 24.192 6.754 0.49 8.38 C +ANISOU 946 CA BGLU A 101 1335 825 1025 -6 111 -80 C +ATOM 947 C AGLU A 101 5.537 22.768 6.983 0.51 7.01 C +ANISOU 947 C AGLU A 101 1163 720 782 130 7 -195 C +ATOM 948 C BGLU A 101 5.704 22.727 7.098 0.49 6.87 C +ANISOU 948 C BGLU A 101 847 721 1043 -78 -106 -198 C +ATOM 949 O AGLU A 101 6.294 22.093 6.265 0.51 7.26 O +ANISOU 949 O AGLU A 101 1273 759 725 186 -17 -140 O +ATOM 950 O BGLU A 101 6.570 22.057 6.531 0.49 6.89 O +ANISOU 950 O BGLU A 101 1103 675 840 -155 19 -162 O +ATOM 951 CB AGLU A 101 4.226 24.413 5.682 0.51 8.49 C +ANISOU 951 CB AGLU A 101 1111 867 1247 115 36 144 C +ATOM 952 CB BGLU A 101 4.442 24.389 5.687 0.49 10.39 C +ANISOU 952 CB BGLU A 101 1509 918 1522 230 -107 147 C +ATOM 953 CG AGLU A 101 3.672 25.760 5.338 0.51 9.38 C +ANISOU 953 CG AGLU A 101 1228 801 1534 192 -77 -105 C +ATOM 954 CG BGLU A 101 3.049 24.164 6.240 0.49 14.56 C +ANISOU 954 CG BGLU A 101 1419 2044 2071 169 -255 280 C +ATOM 955 CD AGLU A 101 2.701 26.346 6.292 0.51 10.29 C +ANISOU 955 CD AGLU A 101 1454 1008 1446 366 -115 -106 C +ATOM 956 CD BGLU A 101 2.727 25.230 7.289 0.49 18.96 C +ANISOU 956 CD BGLU A 101 1194 2689 3320 -614 971 -564 C +ATOM 957 OE1AGLU A 101 2.038 25.660 7.091 0.51 12.72 O +ANISOU 957 OE1AGLU A 101 1460 1557 1816 698 273 281 O +ATOM 958 OE1BGLU A 101 2.944 26.412 6.996 0.49 29.49 O +ANISOU 958 OE1BGLU A 101 4156 2280 4770 -607 -943 -585 O +ATOM 959 OE2AGLU A 101 2.608 27.621 6.282 0.51 16.14 O +ANISOU 959 OE2AGLU A 101 2166 915 3051 602 223 -317 O +ATOM 960 OE2BGLU A 101 2.325 24.945 8.398 0.49 44.07 O +ANISOU 960 OE2BGLU A 101 8654 5908 2181 -3885 1032 -1790 O +ATOM 961 N TYR A 102 4.810 22.268 7.967 1.00 7.21 N +ANISOU 961 N TYR A 102 1017 806 915 8 23 -208 N +ATOM 962 CA TYR A 102 4.822 20.877 8.417 1.00 7.13 C +ANISOU 962 CA TYR A 102 882 822 1003 -17 30 -175 C +ATOM 963 C TYR A 102 3.380 20.384 8.408 1.00 7.04 C +ANISOU 963 C TYR A 102 930 829 917 33 84 -170 C +ATOM 964 O TYR A 102 2.516 21.018 9.017 1.00 9.04 O +ANISOU 964 O TYR A 102 959 1089 1386 -79 183 -529 O +ATOM 965 CB TYR A 102 5.408 20.733 9.820 1.00 7.91 C +ANISOU 965 CB TYR A 102 1003 1047 957 -116 79 -61 C +ATOM 966 CG TYR A 102 6.840 21.172 9.929 1.00 7.01 C +ANISOU 966 CG TYR A 102 983 874 808 -27 -15 -119 C +ATOM 967 CD1 TYR A 102 7.874 20.243 9.944 1.00 6.89 C +ANISOU 967 CD1 TYR A 102 1082 760 776 -84 -34 -70 C +ATOM 968 CD2 TYR A 102 7.206 22.514 10.028 1.00 7.06 C +ANISOU 968 CD2 TYR A 102 967 871 845 22 4 -137 C +ATOM 969 CE1 TYR A 102 9.212 20.610 10.038 1.00 6.58 C +ANISOU 969 CE1 TYR A 102 1022 706 773 -34 -46 10 C +ATOM 970 CE2 TYR A 102 8.523 22.897 10.124 1.00 7.31 C +ANISOU 970 CE2 TYR A 102 1100 840 838 -29 -66 -78 C +ATOM 971 CZ TYR A 102 9.531 21.957 10.139 1.00 6.51 C +ANISOU 971 CZ TYR A 102 995 805 674 -67 -108 -76 C +ATOM 972 OH TYR A 102 10.829 22.369 10.257 1.00 7.21 O +ANISOU 972 OH TYR A 102 1030 856 852 -77 -94 -61 O +ATOM 973 N VAL A 103 3.137 19.271 7.740 1.00 6.36 N +ANISOU 973 N VAL A 103 778 827 813 54 75 -108 N +ATOM 974 CA VAL A 103 1.813 18.670 7.616 1.00 6.49 C +ANISOU 974 CA VAL A 103 770 886 812 66 131 -80 C +ATOM 975 C VAL A 103 1.902 17.237 8.093 1.00 6.04 C +ANISOU 975 C VAL A 103 736 845 713 36 27 -105 C +ATOM 976 O VAL A 103 2.703 16.450 7.602 1.00 6.48 O +ANISOU 976 O VAL A 103 834 818 810 36 132 -93 O +ATOM 977 CB VAL A 103 1.309 18.789 6.169 1.00 6.90 C +ANISOU 977 CB VAL A 103 1036 817 769 -1 7 -109 C +ATOM 978 CG1 VAL A 103 -0.009 18.031 5.985 1.00 8.20 C +ANISOU 978 CG1 VAL A 103 1253 954 909 -94 -232 37 C +ATOM 979 CG2 VAL A 103 1.124 20.246 5.777 1.00 7.98 C +ANISOU 979 CG2 VAL A 103 1116 946 970 0 -6 -1 C +ATOM 980 N ALA A 104 1.056 16.872 9.044 1.00 6.23 N +ANISOU 980 N ALA A 104 833 825 711 52 52 -82 N +ATOM 981 CA ALA A 104 1.083 15.538 9.602 1.00 6.27 C +ANISOU 981 CA ALA A 104 857 829 695 89 57 4 C +ATOM 982 C ALA A 104 0.619 14.480 8.629 1.00 6.19 C +ANISOU 982 C ALA A 104 887 843 621 68 95 14 C +ATOM 983 O ALA A 104 -0.333 14.654 7.876 1.00 7.20 O +ANISOU 983 O ALA A 104 960 886 890 120 -49 -69 O +ATOM 984 CB ALA A 104 0.133 15.477 10.813 1.00 7.18 C +ANISOU 984 CB ALA A 104 1036 967 723 45 197 -50 C +ATOM 985 N LYS A 105 1.275 13.317 8.699 1.00 6.69 N +ANISOU 985 N LYS A 105 951 863 727 99 35 -32 N +ATOM 986 CA LYS A 105 0.764 12.079 8.192 1.00 6.89 C +ANISOU 986 CA LYS A 105 1098 813 707 71 159 26 C +ATOM 987 C LYS A 105 -0.102 11.450 9.278 1.00 7.37 C +ANISOU 987 C LYS A 105 1125 919 759 -11 162 23 C +ATOM 988 O LYS A 105 0.275 11.452 10.461 1.00 8.64 O +ANISOU 988 O LYS A 105 1491 1062 731 101 182 68 O +ATOM 989 CB LYS A 105 1.834 11.074 7.810 1.00 7.64 C +ANISOU 989 CB LYS A 105 1273 906 723 95 153 19 C +ATOM 990 CG LYS A 105 2.623 11.472 6.563 1.00 7.63 C +ANISOU 990 CG LYS A 105 1345 833 721 90 198 29 C +ATOM 991 CD LYS A 105 3.512 10.346 6.044 1.00 7.12 C +ANISOU 991 CD LYS A 105 1183 783 737 10 181 62 C +ATOM 992 CE LYS A 105 4.222 10.751 4.760 1.00 7.85 C +ANISOU 992 CE LYS A 105 1352 838 792 -23 224 -41 C +ATOM 993 NZ LYS A 105 4.927 9.599 4.153 1.00 7.43 N +ANISOU 993 NZ LYS A 105 1149 892 783 -120 212 -82 N +ATOM 994 N PRO A 106 -1.257 10.887 8.932 1.00 7.63 N +ANISOU 994 N PRO A 106 1282 874 742 17 298 112 N +ATOM 995 CA PRO A 106 -1.813 10.750 7.558 1.00 8.04 C +ANISOU 995 CA PRO A 106 1219 893 944 -147 147 57 C +ATOM 996 C PRO A 106 -2.254 12.102 7.002 1.00 7.46 C +ANISOU 996 C PRO A 106 1034 957 842 -68 105 5 C +ATOM 997 O PRO A 106 -2.908 12.897 7.671 1.00 8.15 O +ANISOU 997 O PRO A 106 1106 1087 903 20 248 -12 O +ATOM 998 CB PRO A 106 -2.990 9.783 7.725 1.00 10.13 C +ANISOU 998 CB PRO A 106 1564 1142 1143 -358 273 161 C +ATOM 999 CG PRO A 106 -3.354 9.981 9.184 1.00 10.41 C +ANISOU 999 CG PRO A 106 1456 1296 1205 -258 387 71 C +ATOM 1000 CD PRO A 106 -2.108 10.217 9.928 1.00 9.70 C +ANISOU 1000 CD PRO A 106 1372 1309 1003 -149 312 278 C +ATOM 1001 N VAL A 107 -1.889 12.344 5.744 1.00 7.49 N +ANISOU 1001 N VAL A 107 1090 923 833 -128 164 -5 N +ATOM 1002 CA VAL A 107 -2.030 13.673 5.190 1.00 7.35 C +ANISOU 1002 CA VAL A 107 1059 1030 704 -50 135 -13 C +ATOM 1003 C VAL A 107 -3.464 13.991 4.791 1.00 7.81 C +ANISOU 1003 C VAL A 107 1097 1101 770 -44 147 -15 C +ATOM 1004 O VAL A 107 -4.097 13.271 4.024 1.00 9.63 O +ANISOU 1004 O VAL A 107 1153 1422 1085 -117 -19 -98 O +ATOM 1005 CB VAL A 107 -1.113 13.862 3.947 1.00 7.40 C +ANISOU 1005 CB VAL A 107 1097 959 756 -57 131 14 C +ATOM 1006 CG1 VAL A 107 -1.277 15.248 3.366 1.00 8.13 C +ANISOU 1006 CG1 VAL A 107 1294 1036 757 27 87 70 C +ATOM 1007 CG2 VAL A 107 0.334 13.582 4.291 1.00 8.60 C +ANISOU 1007 CG2 VAL A 107 1097 1172 999 23 168 135 C +ATOM 1008 N ASP A 108 -3.941 15.131 5.267 1.00 8.57 N +ANISOU 1008 N ASP A 108 1130 1294 834 63 131 45 N +ATOM 1009 CA ASP A 108 -5.163 15.765 4.781 1.00 9.33 C +ANISOU 1009 CA ASP A 108 1124 1427 992 184 142 176 C +ATOM 1010 C ASP A 108 -4.803 16.499 3.493 1.00 8.68 C +ANISOU 1010 C ASP A 108 965 1361 972 148 103 16 C +ATOM 1011 O ASP A 108 -4.128 17.520 3.525 1.00 8.71 O +ANISOU 1011 O ASP A 108 1161 1222 926 138 -9 76 O +ATOM 1012 CB ASP A 108 -5.742 16.659 5.853 1.00 10.82 C +ANISOU 1012 CB ASP A 108 1413 1592 1107 218 445 196 C +ATOM 1013 CG ASP A 108 -7.021 17.268 5.418 1.00 14.08 C +ANISOU 1013 CG ASP A 108 1467 2206 1679 615 631 276 C +ATOM 1014 OD1 ASP A 108 -7.956 17.251 6.247 1.00 31.50 O +ANISOU 1014 OD1 ASP A 108 2166 6670 3134 1784 1520 1943 O +ATOM 1015 OD2 ASP A 108 -7.203 17.848 4.373 1.00 15.69 O +ANISOU 1015 OD2 ASP A 108 1442 2571 1949 622 410 532 O +ATOM 1016 N ALA A 109 -5.220 15.927 2.355 1.00 8.61 N +ANISOU 1016 N ALA A 109 1034 1303 936 -41 144 46 N +ATOM 1017 CA ALA A 109 -4.813 16.484 1.056 1.00 8.39 C +ANISOU 1017 CA ALA A 109 1039 1292 859 29 118 72 C +ATOM 1018 C ALA A 109 -5.284 17.915 0.894 1.00 8.16 C +ANISOU 1018 C ALA A 109 917 1332 852 37 -67 53 C +ATOM 1019 O ALA A 109 -4.552 18.753 0.328 1.00 8.97 O +ANISOU 1019 O ALA A 109 1074 1327 1006 66 24 118 O +ATOM 1020 CB ALA A 109 -5.308 15.581 -0.063 1.00 9.70 C +ANISOU 1020 CB ALA A 109 1336 1341 1008 -58 26 17 C +ATOM 1021 N ASP A 110 -6.503 18.223 1.332 1.00 9.10 N +ANISOU 1021 N ASP A 110 1031 1381 1047 127 12 86 N +ATOM 1022 CA ASP A 110 -6.967 19.610 1.203 1.00 9.57 C +ANISOU 1022 CA ASP A 110 974 1468 1193 235 -1 173 C +ATOM 1023 C ASP A 110 -6.165 20.595 2.021 1.00 9.50 C +ANISOU 1023 C ASP A 110 1082 1421 1108 225 134 70 C +ATOM 1024 O ASP A 110 -5.904 21.722 1.581 1.00 10.51 O +ANISOU 1024 O ASP A 110 1268 1494 1232 260 -129 179 O +ATOM 1025 CB ASP A 110 -8.458 19.650 1.545 1.00 12.41 C +ANISOU 1025 CB ASP A 110 1012 1867 1838 295 -5 74 C +ATOM 1026 CG ASP A 110 -9.327 18.977 0.478 1.00 15.64 C +ANISOU 1026 CG ASP A 110 1133 3129 1682 68 -249 121 C +ATOM 1027 OD1 ASP A 110 -8.934 18.756 -0.679 1.00 16.84 O +ANISOU 1027 OD1 ASP A 110 1985 2752 1662 109 -74 166 O +ATOM 1028 OD2 ASP A 110 -10.504 18.751 0.889 1.00 24.94 O +ANISOU 1028 OD2 ASP A 110 1617 5235 2625 -902 43 -188 O +ATOM 1029 N GLN A 111 -5.749 20.162 3.212 1.00 9.72 N +ANISOU 1029 N GLN A 111 1244 1391 1060 204 88 2 N +ATOM 1030 CA GLN A 111 -4.842 20.999 4.014 1.00 9.83 C +ANISOU 1030 CA GLN A 111 1364 1319 1051 204 89 11 C +ATOM 1031 C GLN A 111 -3.527 21.227 3.302 1.00 9.08 C +ANISOU 1031 C GLN A 111 1250 1274 925 159 39 -27 C +ATOM 1032 O GLN A 111 -2.975 22.347 3.272 1.00 9.67 O +ANISOU 1032 O GLN A 111 1351 1279 1045 120 -104 -53 O +ATOM 1033 CB GLN A 111 -4.593 20.334 5.353 1.00 10.24 C +ANISOU 1033 CB GLN A 111 1580 1335 974 126 209 0 C +ATOM 1034 CG GLN A 111 -3.526 20.999 6.223 1.00 11.93 C +ANISOU 1034 CG GLN A 111 1887 1511 1134 137 -36 52 C +ATOM 1035 CD GLN A 111 -3.020 20.104 7.326 1.00 10.81 C +ANISOU 1035 CD GLN A 111 1537 1413 1156 120 180 10 C +ATOM 1036 OE1 GLN A 111 -3.330 18.911 7.413 1.00 12.62 O +ANISOU 1036 OE1 GLN A 111 1765 1431 1598 141 470 266 O +ATOM 1037 NE2 GLN A 111 -2.213 20.636 8.223 1.00 12.81 N +ANISOU 1037 NE2 GLN A 111 1854 1739 1274 289 -73 59 N +ATOM 1038 N LEU A 112 -2.979 20.158 2.701 1.00 8.71 N +ANISOU 1038 N LEU A 112 1214 1240 855 204 -70 -60 N +ATOM 1039 CA LEU A 112 -1.723 20.320 1.962 1.00 8.27 C +ANISOU 1039 CA LEU A 112 1087 1181 874 83 -89 -39 C +ATOM 1040 C LEU A 112 -1.857 21.334 0.854 1.00 7.86 C +ANISOU 1040 C LEU A 112 979 1213 796 172 -35 -143 C +ATOM 1041 O LEU A 112 -0.986 22.192 0.638 1.00 8.60 O +ANISOU 1041 O LEU A 112 1124 1152 990 9 -159 -137 O +ATOM 1042 CB LEU A 112 -1.281 18.952 1.446 1.00 9.18 C +ANISOU 1042 CB LEU A 112 1118 1272 1096 225 -176 -42 C +ATOM 1043 CG LEU A 112 0.025 19.040 0.643 1.00 10.31 C +ANISOU 1043 CG LEU A 112 1010 1601 1307 56 -66 -252 C +ATOM 1044 CD1 LEU A 112 1.197 19.514 1.500 1.00 12.02 C +ANISOU 1044 CD1 LEU A 112 1046 2066 1456 142 -84 -420 C +ATOM 1045 CD2 LEU A 112 0.364 17.727 -0.005 1.00 11.73 C +ANISOU 1045 CD2 LEU A 112 1262 1272 1921 43 161 -113 C +ATOM 1046 N VAL A 113 -2.950 21.239 0.077 1.00 8.12 N +ANISOU 1046 N VAL A 113 971 1197 916 88 -101 24 N +ATOM 1047 CA VAL A 113 -3.189 22.185 -1.002 1.00 8.30 C +ANISOU 1047 CA VAL A 113 1053 1149 952 0 -136 -13 C +ATOM 1048 C VAL A 113 -3.229 23.619 -0.457 1.00 8.43 C +ANISOU 1048 C VAL A 113 1055 1149 1000 47 -237 -22 C +ATOM 1049 O VAL A 113 -2.632 24.536 -1.019 1.00 9.73 O +ANISOU 1049 O VAL A 113 1283 1154 1260 -75 -236 48 O +ATOM 1050 CB VAL A 113 -4.496 21.822 -1.758 1.00 8.70 C +ANISOU 1050 CB VAL A 113 1124 1220 960 -79 -172 51 C +ATOM 1051 CG1 VAL A 113 -4.840 22.934 -2.726 1.00 10.43 C +ANISOU 1051 CG1 VAL A 113 1409 1422 1132 -230 -486 204 C +ATOM 1052 CG2 VAL A 113 -4.354 20.484 -2.471 1.00 9.08 C +ANISOU 1052 CG2 VAL A 113 1143 1383 922 -170 -65 -46 C +ATOM 1053 N AGLU A 114 -3.951 23.842 0.626 0.51 8.62 N +ANISOU 1053 N AGLU A 114 955 1193 1128 156 -244 -100 N +ATOM 1054 N BGLU A 114 -3.967 23.781 0.628 0.49 9.85 N +ANISOU 1054 N BGLU A 114 1637 993 1113 168 -39 46 N +ATOM 1055 CA AGLU A 114 -3.991 25.172 1.233 0.51 9.96 C +ANISOU 1055 CA AGLU A 114 1221 1221 1343 42 -2 -153 C +ATOM 1056 CA BGLU A 114 -4.067 25.085 1.273 0.49 10.08 C +ANISOU 1056 CA BGLU A 114 1444 1151 1237 385 -184 -76 C +ATOM 1057 C AGLU A 114 -2.612 25.685 1.591 0.51 9.08 C +ANISOU 1057 C AGLU A 114 1304 1146 1001 36 -7 -250 C +ATOM 1058 C BGLU A 114 -2.734 25.643 1.731 0.49 12.13 C +ANISOU 1058 C BGLU A 114 1655 1278 1676 184 -427 -177 C +ATOM 1059 O AGLU A 114 -2.267 26.845 1.314 0.51 10.18 O +ANISOU 1059 O AGLU A 114 1107 1145 1615 109 293 -126 O +ATOM 1060 O BGLU A 114 -2.529 26.865 1.601 0.49 11.84 O +ANISOU 1060 O BGLU A 114 2024 1120 1353 312 -188 -445 O +ATOM 1061 CB AGLU A 114 -4.906 25.114 2.475 0.51 11.18 C +ANISOU 1061 CB AGLU A 114 1216 1201 1830 536 309 -101 C +ATOM 1062 CB BGLU A 114 -5.024 25.019 2.481 0.49 15.09 C +ANISOU 1062 CB BGLU A 114 2142 2126 1464 -341 213 -778 C +ATOM 1063 CG AGLU A 114 -6.379 24.884 2.168 0.51 15.08 C +ANISOU 1063 CG AGLU A 114 1335 2195 2198 231 177 330 C +ATOM 1064 CG BGLU A 114 -5.303 26.354 3.097 0.49 18.07 C +ANISOU 1064 CG BGLU A 114 2337 2150 2377 -87 939 -820 C +ATOM 1065 CD AGLU A 114 -7.263 24.743 3.378 0.51 30.82 C +ANISOU 1065 CD AGLU A 114 2522 4720 4470 -223 2337 -928 C +ATOM 1066 CD BGLU A 114 -6.204 27.326 2.388 0.49 28.04 C +ANISOU 1066 CD BGLU A 114 4849 2946 2860 1030 400 -452 C +ATOM 1067 OE1AGLU A 114 -7.146 25.475 4.399 0.51 33.25 O +ANISOU 1067 OE1AGLU A 114 4869 4094 3668 620 2582 -299 O +ATOM 1068 OE1BGLU A 114 -6.745 27.194 1.265 0.49 37.47 O +ANISOU 1068 OE1BGLU A 114 4990 7429 1819 799 1023 950 O +ATOM 1069 OE2AGLU A 114 -8.195 23.882 3.361 0.51 47.24 O +ANISOU 1069 OE2AGLU A 114 5105 5646 7197 -2033 4495 -1300 O +ATOM 1070 OE2BGLU A 114 -6.379 28.424 3.002 0.49 55.64 O +ANISOU 1070 OE2BGLU A 114 10428 2625 8087 2366 -1203 -1602 O +ATOM 1071 N ARG A 115 -1.837 24.814 2.249 1.00 10.35 N +ANISOU 1071 N ARG A 115 1392 1211 1328 -1 -234 -157 N +ATOM 1072 CA ARG A 115 -0.492 25.275 2.663 1.00 10.68 C +ANISOU 1072 CA ARG A 115 1435 1229 1394 27 -336 -310 C +ATOM 1073 C ARG A 115 0.386 25.613 1.454 1.00 11.31 C +ANISOU 1073 C ARG A 115 1406 1332 1560 -94 -241 -268 C +ATOM 1074 O ARG A 115 1.182 26.582 1.494 1.00 12.03 O +ANISOU 1074 O ARG A 115 1456 1236 1878 -53 -294 -467 O +ATOM 1075 CB ARG A 115 0.202 24.241 3.567 1.00 12.21 C +ANISOU 1075 CB ARG A 115 1535 1442 1664 -53 -459 -97 C +ATOM 1076 CG ARG A 115 -0.569 23.916 4.835 1.00 14.71 C +ANISOU 1076 CG ARG A 115 2203 2099 1286 -242 -567 -11 C +ATOM 1077 CD ARG A 115 -1.367 24.965 5.519 1.00 20.78 C +ANISOU 1077 CD ARG A 115 3631 2593 1670 -77 461 61 C +ATOM 1078 NE ARG A 115 -0.564 26.140 5.819 1.00 20.99 N +ANISOU 1078 NE ARG A 115 3308 2234 2433 485 -86 -418 N +ATOM 1079 CZ ARG A 115 -1.006 27.388 5.851 1.00 21.01 C +ANISOU 1079 CZ ARG A 115 3199 2402 2382 759 135 -8 C +ATOM 1080 NH1 ARG A 115 -2.276 27.726 5.638 1.00 27.28 N +ANISOU 1080 NH1 ARG A 115 3709 4061 2596 1469 -588 -101 N +ATOM 1081 NH2 ARG A 115 -0.120 28.338 6.133 1.00 23.61 N +ANISOU 1081 NH2 ARG A 115 3994 2010 2968 595 221 -166 N +ATOM 1082 N ALA A 116 0.300 24.839 0.384 1.00 9.56 N +ANISOU 1082 N ALA A 116 1138 992 1501 7 -252 -198 N +ATOM 1083 CA ALA A 116 1.058 25.139 -0.817 1.00 10.48 C +ANISOU 1083 CA ALA A 116 1279 1023 1681 -103 -16 -221 C +ATOM 1084 C ALA A 116 0.678 26.520 -1.337 1.00 10.83 C +ANISOU 1084 C ALA A 116 1373 1045 1698 -67 -139 -107 C +ATOM 1085 O ALA A 116 1.551 27.323 -1.641 1.00 11.90 O +ANISOU 1085 O ALA A 116 1396 1164 1962 -265 -66 -166 O +ATOM 1086 CB ALA A 116 0.845 24.063 -1.865 1.00 11.05 C +ANISOU 1086 CB ALA A 116 1490 1129 1579 -82 54 -194 C +ATOM 1087 N GLY A 117 -0.635 26.785 -1.423 1.00 10.72 N +ANISOU 1087 N GLY A 117 1312 1185 1575 -99 -189 -75 N +ATOM 1088 CA GLY A 117 -1.066 28.099 -1.867 1.00 12.08 C +ANISOU 1088 CA GLY A 117 1408 1281 1901 -40 -406 120 C +ATOM 1089 C GLY A 117 -0.661 29.234 -0.958 1.00 12.87 C +ANISOU 1089 C GLY A 117 1382 1290 2217 8 -360 -38 C +ATOM 1090 O GLY A 117 -0.326 30.335 -1.413 1.00 13.98 O +ANISOU 1090 O GLY A 117 1625 1186 2503 181 -378 -106 O +ATOM 1091 N ALA A 118 -0.636 28.968 0.328 1.00 12.91 N +ANISOU 1091 N ALA A 118 1564 1225 2115 56 -229 -304 N +ATOM 1092 CA ALA A 118 -0.171 29.973 1.278 1.00 14.84 C +ANISOU 1092 CA ALA A 118 1846 1223 2570 129 -119 -685 C +ATOM 1093 C ALA A 118 1.287 30.325 1.047 1.00 14.61 C +ANISOU 1093 C ALA A 118 1733 1222 2596 89 -487 -438 C +ATOM 1094 O ALA A 118 1.629 31.471 1.280 1.00 19.42 O +ANISOU 1094 O ALA A 118 2235 1103 4040 61 -797 -693 O +ATOM 1095 CB ALA A 118 -0.340 29.506 2.698 1.00 19.87 C +ANISOU 1095 CB ALA A 118 3012 2220 2318 -509 88 -1034 C +ATOM 1096 N LEU A 119 2.103 29.354 0.681 1.00 12.78 N +ANISOU 1096 N LEU A 119 1558 1005 2293 54 -575 -136 N +ATOM 1097 CA LEU A 119 3.527 29.609 0.481 1.00 12.69 C +ANISOU 1097 CA LEU A 119 1472 1048 2303 6 -679 -163 C +ATOM 1098 C LEU A 119 3.936 30.208 -0.857 1.00 13.84 C +ANISOU 1098 C LEU A 119 1602 1005 2653 -195 -784 297 C +ATOM 1099 O LEU A 119 4.808 31.055 -0.846 1.00 18.43 O +ANISOU 1099 O LEU A 119 1929 1421 3653 -573 -906 215 O +ATOM 1100 CB LEU A 119 4.312 28.295 0.662 1.00 12.07 C +ANISOU 1100 CB LEU A 119 1677 1071 1838 110 -309 27 C +ATOM 1101 CG LEU A 119 4.449 27.817 2.073 1.00 12.15 C +ANISOU 1101 CG LEU A 119 1865 1113 1637 108 -291 -107 C +ATOM 1102 CD1 LEU A 119 5.051 26.406 2.072 1.00 15.73 C +ANISOU 1102 CD1 LEU A 119 3114 1147 1717 434 -689 -77 C +ATOM 1103 CD2 LEU A 119 5.319 28.733 2.943 1.00 15.60 C +ANISOU 1103 CD2 LEU A 119 2518 1277 2133 143 -819 -301 C +ATOM 1104 N ILE A 120 3.314 29.767 -1.923 1.00 12.01 N +ANISOU 1104 N ILE A 120 1264 907 2393 -34 -511 181 N +ATOM 1105 CA ILE A 120 3.741 30.236 -3.252 1.00 13.19 C +ANISOU 1105 CA ILE A 120 1395 1079 2536 -52 -378 311 C +ATOM 1106 C ILE A 120 2.639 30.904 -4.027 1.00 12.54 C +ANISOU 1106 C ILE A 120 1433 1040 2290 76 -331 234 C +ATOM 1107 O ILE A 120 2.883 31.341 -5.161 1.00 15.87 O +ANISOU 1107 O ILE A 120 1781 1596 2654 39 -262 678 O +ATOM 1108 CB ILE A 120 4.400 29.108 -4.051 1.00 13.50 C +ANISOU 1108 CB ILE A 120 1102 1263 2762 -19 -282 238 C +ATOM 1109 CG1 ILE A 120 3.428 27.948 -4.369 1.00 11.85 C +ANISOU 1109 CG1 ILE A 120 1174 1160 2169 -32 -191 202 C +ATOM 1110 CG2 ILE A 120 5.654 28.616 -3.344 1.00 15.58 C +ANISOU 1110 CG2 ILE A 120 1293 1601 3027 212 -538 14 C +ATOM 1111 CD1 ILE A 120 3.949 27.007 -5.417 1.00 12.45 C +ANISOU 1111 CD1 ILE A 120 1068 1617 2047 244 -123 214 C +ATOM 1112 N GLY A 121 1.419 31.014 -3.468 1.00 13.01 N +ANISOU 1112 N GLY A 121 1402 1017 2524 29 -464 123 N +ATOM 1113 CA GLY A 121 0.305 31.533 -4.185 1.00 14.35 C +ANISOU 1113 CA GLY A 121 1438 1066 2948 154 -566 107 C +ATOM 1114 C GLY A 121 -0.393 30.442 -4.960 1.00 13.21 C +ANISOU 1114 C GLY A 121 1493 1054 2472 162 -506 101 C +ATOM 1115 O GLY A 121 0.190 29.419 -5.331 1.00 18.08 O +ANISOU 1115 O GLY A 121 1542 1426 3901 243 -393 -497 O +ATOM 1116 N PHE A 122 -1.668 30.604 -5.136 1.00 13.39 N +ANISOU 1116 N PHE A 122 1438 1019 2629 115 -312 155 N +ATOM 1117 CA PHE A 122 -2.398 29.688 -5.981 1.00 13.58 C +ANISOU 1117 CA PHE A 122 1442 1146 2571 36 -520 273 C +ATOM 1118 C PHE A 122 -2.219 30.007 -7.458 1.00 14.53 C +ANISOU 1118 C PHE A 122 1748 1178 2595 -14 -359 267 C +ATOM 1119 O PHE A 122 -2.094 31.140 -7.878 1.00 18.03 O +ANISOU 1119 O PHE A 122 2905 1306 2641 -217 -218 344 O +ATOM 1120 CB PHE A 122 -3.887 29.648 -5.625 1.00 14.26 C +ANISOU 1120 CB PHE A 122 1458 1288 2671 169 -395 456 C +ATOM 1121 CG PHE A 122 -4.136 29.005 -4.280 1.00 14.13 C +ANISOU 1121 CG PHE A 122 1345 1456 2569 -9 -600 416 C +ATOM 1122 CD1 PHE A 122 -3.989 27.651 -4.120 1.00 15.29 C +ANISOU 1122 CD1 PHE A 122 1907 1459 2443 -425 -850 391 C +ATOM 1123 CD2 PHE A 122 -4.506 29.786 -3.202 1.00 17.24 C +ANISOU 1123 CD2 PHE A 122 1956 1701 2895 596 296 774 C +ATOM 1124 CE1 PHE A 122 -4.212 27.045 -2.889 1.00 17.62 C +ANISOU 1124 CE1 PHE A 122 2110 1895 2689 -765 -1064 753 C +ATOM 1125 CE2 PHE A 122 -4.770 29.236 -1.993 1.00 21.64 C +ANISOU 1125 CE2 PHE A 122 2768 2618 2835 678 232 1061 C +ATOM 1126 CZ PHE A 122 -4.659 27.859 -1.835 1.00 19.03 C +ANISOU 1126 CZ PHE A 122 2132 2453 2646 -173 -246 1175 C +ATOM 1127 N PRO A 123 -2.289 28.989 -8.288 1.00 16.23 N +ANISOU 1127 N PRO A 123 2204 1436 2525 -43 -172 211 N +ATOM 1128 CA PRO A 123 -2.237 29.210 -9.740 1.00 18.96 C +ANISOU 1128 CA PRO A 123 2684 1958 2561 740 90 -16 C +ATOM 1129 C PRO A 123 -3.395 30.070 -10.183 1.00 21.03 C +ANISOU 1129 C PRO A 123 3101 2358 2531 908 -426 5 C +ATOM 1130 O PRO A 123 -4.515 30.034 -9.619 1.00 30.09 O +ANISOU 1130 O PRO A 123 2228 4711 4492 796 -833 108 O +ATOM 1131 CB PRO A 123 -2.400 27.798 -10.323 1.00 24.52 C +ANISOU 1131 CB PRO A 123 4256 2025 3037 801 -151 -338 C +ATOM 1132 CG PRO A 123 -2.215 26.835 -9.211 1.00 21.05 C +ANISOU 1132 CG PRO A 123 2925 1835 3239 285 -1358 -360 C +ATOM 1133 CD PRO A 123 -2.445 27.559 -7.932 1.00 19.24 C +ANISOU 1133 CD PRO A 123 3026 1167 3116 349 -1170 38 C +ATOM 1134 N GLU A 124 -3.166 30.895 -11.201 1.00 30.59 N +ANISOU 1134 N GLU A 124 5755 2984 2886 487 -1168 680 N +ATOM 1135 CA GLU A 124 -4.250 31.736 -11.721 1.00 41.26 C +ANISOU 1135 CA GLU A 124 7739 3351 4586 1416 -1933 1172 C +ATOM 1136 C GLU A 124 -4.103 31.729 -13.241 1.00 57.60 C +ANISOU 1136 C GLU A 124 12710 5067 4107 -720 -4151 1523 C +ATOM 1137 O GLU A 124 -4.034 30.582 -13.758 1.00 66.51 O +ANISOU 1137 O GLU A 124 15064 6234 3975 -2609 -4537 -38 O +ATOM 1138 CB GLU A 124 -4.216 33.120 -11.095 1.00 55.87 C +ANISOU 1138 CB GLU A 124 11038 3447 6743 2178 -451 480 C +TER 1139 GLU A 124 +HETATM 1140 O HOH A 125 -1.439 23.402 8.763 1.00 20.65 O +ANISOU 1140 O HOH A 125 2683 2434 2729 -127 -151 -106 O +HETATM 1141 O HOH A 126 1.004 23.160 7.975 1.00 21.18 O +ANISOU 1141 O HOH A 126 2849 2468 2732 1174 -829 -628 O +HETATM 1142 O HOH A 127 0.897 20.451 11.297 1.00 17.99 O +ANISOU 1142 O HOH A 127 2111 3151 1575 -67 204 89 O +HETATM 1143 O HOH A 128 -0.933 18.783 10.094 1.00 10.35 O +ANISOU 1143 O HOH A 128 1528 1202 1201 437 473 157 O +HETATM 1144 O HOH A 129 3.005 7.414 3.944 1.00 9.47 O +ANISOU 1144 O HOH A 129 1284 1115 1198 -204 42 -9 O +HETATM 1145 O HOH A 130 2.972 8.012 -7.365 1.00 7.68 O +ANISOU 1145 O HOH A 130 948 1037 933 -57 -40 -78 O +HETATM 1146 O HOH A 131 6.641 9.929 -5.656 1.00 8.78 O +ANISOU 1146 O HOH A 131 923 1513 899 33 91 89 O +HETATM 1147 O HOH A 132 16.536 28.906 -3.570 1.00 9.73 O +ANISOU 1147 O HOH A 132 1384 1141 1174 -303 42 356 O +HETATM 1148 O HOH A 133 1.077 18.187 -13.435 1.00 9.12 O +ANISOU 1148 O HOH A 133 1060 1422 983 -178 -342 195 O +HETATM 1149 O HOH A 134 15.885 20.654 17.816 1.00 9.83 O +ANISOU 1149 O HOH A 134 1252 1106 1377 -139 -429 77 O +HETATM 1150 O HOH A 135 9.892 16.789 17.951 1.00 10.60 O +ANISOU 1150 O HOH A 135 1681 1341 1007 -408 -83 100 O +HETATM 1151 O HOH A 136 15.814 9.079 -9.661 1.00 10.91 O +ANISOU 1151 O HOH A 136 1219 1589 1337 -30 185 -335 O +HETATM 1152 O HOH A 137 -3.069 6.611 -5.040 1.00 9.61 O +ANISOU 1152 O HOH A 137 981 1167 1503 -27 -294 119 O +HETATM 1153 O HOH A 138 10.727 8.226 -9.004 1.00 9.71 O +ANISOU 1153 O HOH A 138 1533 1091 1065 -207 356 -312 O +HETATM 1154 O HOH A 139 -2.679 16.252 7.778 1.00 9.71 O +ANISOU 1154 O HOH A 139 1266 1155 1268 125 -171 -82 O +HETATM 1155 O HOH A 140 -5.330 14.239 8.252 0.50 12.73 O +ANISOU 1155 O HOH A 140 1395 1777 1664 265 285 36 O +HETATM 1156 O HOH A 141 14.967 12.343 -6.964 1.00 11.08 O +ANISOU 1156 O HOH A 141 1222 1322 1666 -34 -253 -422 O +HETATM 1157 O HOH A 142 8.530 3.541 -3.898 0.50 5.62 O +ANISOU 1157 O HOH A 142 746 662 727 178 -8 -204 O +HETATM 1158 O HOH A 143 5.585 3.093 1.088 1.00 40.79 O +ANISOU 1158 O HOH A 143 8149 2212 5139 949 -1746 523 O +HETATM 1159 O HOH A 144 2.489 9.982 11.475 1.00 11.60 O +ANISOU 1159 O HOH A 144 1542 1430 1434 -140 -298 6 O +HETATM 1160 O HOH A 145 14.745 33.483 -3.720 1.00 12.56 O +ANISOU 1160 O HOH A 145 1498 1303 1970 -116 587 240 O +HETATM 1161 O HOH A 146 14.978 25.119 0.537 1.00 9.31 O +ANISOU 1161 O HOH A 146 1341 1103 1093 -155 130 223 O +HETATM 1162 O HOH A 147 -1.449 11.332 -9.643 1.00 9.64 O +ANISOU 1162 O HOH A 147 1028 1492 1143 -31 59 13 O +HETATM 1163 O HOH A 148 13.665 7.577 -1.201 1.00 11.77 O +ANISOU 1163 O HOH A 148 2055 1185 1233 -115 422 38 O +HETATM 1164 O HOH A 149 13.076 9.549 -9.475 1.00 8.25 O +ANISOU 1164 O HOH A 149 1167 1087 881 41 101 -200 O +HETATM 1165 O HOH A 150 2.482 14.399 17.621 1.00 12.39 O +ANISOU 1165 O HOH A 150 1254 1597 1856 -51 345 -326 O +HETATM 1166 O HOH A 151 8.710 13.504 11.861 1.00 14.06 O +ANISOU 1166 O HOH A 151 1098 1441 2801 -191 609 -855 O +HETATM 1167 O HOH A 152 15.365 27.195 7.235 1.00 12.44 O +ANISOU 1167 O HOH A 152 2085 1406 1235 -561 -83 275 O +HETATM 1168 O HOH A 153 17.314 19.511 8.594 1.00 17.36 O +ANISOU 1168 O HOH A 153 1403 2851 2341 -655 627 -1487 O +HETATM 1169 O HOH A 154 10.586 12.947 -11.443 1.00 11.91 O +ANISOU 1169 O HOH A 154 1312 1369 1843 -199 502 -67 O +HETATM 1170 O HOH A 155 9.537 23.798 18.276 1.00 11.09 O +ANISOU 1170 O HOH A 155 1495 1230 1488 -177 73 -459 O +HETATM 1171 O HOH A 156 -0.534 5.685 1.768 1.00 17.34 O +ANISOU 1171 O HOH A 156 1223 2040 3327 -63 198 970 O +HETATM 1172 O HOH A 157 6.754 7.377 3.084 0.75 9.23 O +ANISOU 1172 O HOH A 157 1008 1643 857 30 -94 347 O +HETATM 1173 O HOH A 158 0.864 10.053 -10.459 1.00 9.77 O +ANISOU 1173 O HOH A 158 1074 1261 1377 -142 -150 -175 O +HETATM 1174 O HOH A 159 13.538 11.267 -11.572 1.00 10.28 O +ANISOU 1174 O HOH A 159 1487 1256 1164 -108 14 -4 O +HETATM 1175 O HOH A 160 8.784 12.649 19.580 0.50 6.96 O +ANISOU 1175 O HOH A 160 1066 859 719 192 73 -49 O +HETATM 1176 O HOH A 161 23.127 25.358 -8.363 1.00 16.01 O +ANISOU 1176 O HOH A 161 1758 1399 2927 -182 514 320 O +HETATM 1177 O HOH A 162 -4.634 13.799 -11.225 1.00 11.09 O +ANISOU 1177 O HOH A 162 1357 1858 998 -538 11 -51 O +HETATM 1178 O HOH A 163 20.967 14.577 -5.135 1.00 14.95 O +ANISOU 1178 O HOH A 163 1151 1146 3382 -108 -133 616 O +HETATM 1179 O HOH A 164 15.125 2.848 -2.511 1.00 16.16 O +ANISOU 1179 O HOH A 164 2118 2172 1848 334 -49 -162 O +HETATM 1180 O HOH A 165 -0.241 11.234 13.224 0.50 5.57 O +ANISOU 1180 O HOH A 165 886 800 432 93 171 -11 O +HETATM 1181 O HOH A 166 16.955 7.154 -2.642 1.00 13.75 O +ANISOU 1181 O HOH A 166 1870 1441 1914 123 52 201 O +HETATM 1182 O HOH A 167 -0.300 15.125 -15.049 1.00 15.27 O +ANISOU 1182 O HOH A 167 2327 1935 1538 59 -596 -650 O +HETATM 1183 O HOH A 168 16.459 11.828 -9.216 1.00 14.12 O +ANISOU 1183 O HOH A 168 1773 1773 1818 -345 325 -336 O +HETATM 1184 O HOH A 169 1.728 11.014 15.253 0.50 4.99 O +ANISOU 1184 O HOH A 169 536 480 880 -1 236 -67 O +HETATM 1185 O HOH A 170 -7.220 13.947 2.560 1.00 15.81 O +ANISOU 1185 O HOH A 170 1660 2186 2161 -434 104 299 O +HETATM 1186 O HOH A 171 6.513 7.441 12.462 1.00 19.05 O +ANISOU 1186 O HOH A 171 2658 2636 1942 1664 -469 -512 O +HETATM 1187 O HOH A 172 4.697 17.051 -14.098 1.00 15.22 O +ANISOU 1187 O HOH A 172 1855 2699 1228 222 -215 -67 O +HETATM 1188 O HOH A 173 19.456 14.282 -2.337 1.00 16.11 O +ANISOU 1188 O HOH A 173 2116 1569 2435 -114 -281 139 O +HETATM 1189 O HOH A 174 4.295 8.404 16.745 1.00 10.60 O +ANISOU 1189 O HOH A 174 1710 1088 1231 46 56 306 O +HETATM 1190 O HOH A 175 -7.787 22.905 -0.127 1.00 14.68 O +ANISOU 1190 O HOH A 175 1916 2020 1643 549 -428 -196 O +HETATM 1191 O HOH A 176 9.364 22.353 22.307 1.00 21.65 O +ANISOU 1191 O HOH A 176 3104 2280 2843 55 1153 315 O +HETATM 1192 O HOH A 177 17.806 26.532 17.622 1.00 12.33 O +ANISOU 1192 O HOH A 177 1586 1482 1616 -352 -19 -124 O +HETATM 1193 O HOH A 178 -4.207 7.262 -1.353 0.50 8.66 O +ANISOU 1193 O HOH A 178 1091 1072 1129 -77 -276 478 O +HETATM 1194 O HOH A 179 -8.648 16.167 2.074 1.00 20.25 O +ANISOU 1194 O HOH A 179 1944 2566 3184 -15 -292 589 O +HETATM 1195 O HOH A 180 2.737 11.126 20.200 1.00 12.87 O +ANISOU 1195 O HOH A 180 1480 1703 1710 -177 482 -120 O +HETATM 1196 O HOH A 181 -8.102 26.906 -2.687 1.00 14.30 O +ANISOU 1196 O HOH A 181 1759 1727 1948 213 -84 -612 O +HETATM 1197 O HOH A 182 6.185 4.814 2.976 1.00 40.89 O +ANISOU 1197 O HOH A 182 5788 3117 6630 -207 -3135 2110 O +HETATM 1198 O HOH A 183 -5.447 11.244 5.010 1.00 42.10 O +ANISOU 1198 O HOH A 183 5555 6347 4092 -2334 -956 1790 O +HETATM 1199 O HOH A 184 -2.794 33.109 -4.240 1.00 25.55 O +ANISOU 1199 O HOH A 184 2270 1894 5544 811 -58 -394 O +HETATM 1200 O AHOH A 185 7.641 10.590 9.744 0.50 7.72 O +ANISOU 1200 O AHOH A 185 1028 1074 830 384 110 321 O +HETATM 1201 O BHOH A 185 8.272 9.665 10.249 0.50 13.03 O +ANISOU 1201 O BHOH A 185 1606 1858 1488 55 95 -153 O +HETATM 1202 O HOH A 186 9.221 29.508 -4.952 1.00 21.68 O +ANISOU 1202 O HOH A 186 3866 1259 3112 -1038 -1361 814 O +HETATM 1203 O HOH A 187 7.070 5.482 8.817 0.50 9.05 O +ANISOU 1203 O HOH A 187 1011 1423 1003 -25 -177 463 O +HETATM 1204 O HOH A 188 12.085 5.520 6.388 0.50 10.90 O +ANISOU 1204 O HOH A 188 2257 1116 767 13 -73 215 O +HETATM 1205 O HOH A 189 -4.215 15.966 9.823 1.00 6.37 O +ANISOU 1205 O HOH A 189 874 840 704 -22 119 52 O +HETATM 1206 O HOH A 190 5.818 8.003 -7.423 1.00 10.68 O +ANISOU 1206 O HOH A 190 1010 1606 1440 5 60 -217 O +HETATM 1207 O HOH A 191 8.302 2.903 -6.518 0.50 6.12 O +ANISOU 1207 O HOH A 191 854 588 883 -69 256 -9 O +HETATM 1208 O HOH A 192 6.820 1.380 -3.226 0.50 6.72 O +ANISOU 1208 O HOH A 192 846 678 1029 44 160 -168 O +HETATM 1209 O HOH A 193 -5.080 6.231 11.162 1.00 60.07 O +ANISOU 1209 O HOH A 193 7315 7390 8119 1915 1302 -571 O +HETATM 1210 O HOH A 194 -3.237 13.850 10.211 0.50 10.74 O +ANISOU 1210 O HOH A 194 2800 823 459 563 679 53 O +HETATM 1211 O HOH A 195 0.149 11.038 -13.062 1.00 12.40 O +ANISOU 1211 O HOH A 195 1654 1502 1553 -11 -197 -176 O +HETATM 1212 O HOH A 196 11.847 20.099 20.408 1.00 17.07 O +ANISOU 1212 O HOH A 196 3171 1482 1833 308 -310 -331 O +HETATM 1213 O HOH A 197 4.264 6.259 6.022 0.50 9.31 O +ANISOU 1213 O HOH A 197 1356 1093 1091 -367 -319 251 O +HETATM 1214 O HOH A 198 -7.996 13.062 -1.238 1.00 16.58 O +ANISOU 1214 O HOH A 198 1770 2766 1765 -141 196 60 O +HETATM 1215 O HOH A 199 4.565 2.569 -2.371 1.00 23.12 O +ANISOU 1215 O HOH A 199 1635 1554 5595 236 779 -406 O +HETATM 1216 O HOH A 200 19.170 13.250 -9.372 1.00 19.70 O +ANISOU 1216 O HOH A 200 3868 1652 1966 319 1125 -182 O +HETATM 1217 O HOH A 201 19.966 23.036 10.727 1.00 15.91 O +ANISOU 1217 O HOH A 201 1540 2104 2403 74 231 137 O +HETATM 1218 O HOH A 202 -3.965 11.990 1.572 0.50 9.49 O +ANISOU 1218 O HOH A 202 1100 1642 864 37 232 -256 O +HETATM 1219 O HOH A 203 -1.671 12.640 -12.018 0.50 9.47 O +ANISOU 1219 O HOH A 203 1186 1114 1300 -47 -35 -8 O +HETATM 1220 O HOH A 204 3.815 24.194 9.948 1.00 16.00 O +ANISOU 1220 O HOH A 204 2059 1884 2137 181 467 -675 O +HETATM 1221 O HOH A 205 10.418 26.997 12.507 1.00 16.70 O +ANISOU 1221 O HOH A 205 1920 1732 2692 214 259 458 O +HETATM 1222 O HOH A 206 10.142 1.990 -0.386 0.50 11.79 O +ANISOU 1222 O HOH A 206 1661 1588 1230 -485 425 -87 O +HETATM 1223 O HOH A 207 6.850 23.303 18.605 1.00 26.21 O +ANISOU 1223 O HOH A 207 1597 2585 5777 183 1200 45 O +HETATM 1224 O HOH A 208 8.715 9.459 -10.652 0.50 7.29 O +ANISOU 1224 O HOH A 208 1264 795 709 -174 263 -301 O +HETATM 1225 O HOH A 209 0.358 25.965 -12.546 1.00 25.01 O +ANISOU 1225 O HOH A 209 2611 4951 1939 -1909 -781 986 O +HETATM 1226 O HOH A 210 6.468 10.240 8.348 0.50 9.79 O +ANISOU 1226 O HOH A 210 1353 1208 1158 90 0 -96 O +HETATM 1227 O HOH A 211 1.392 21.360 -16.815 0.50 8.28 O +ANISOU 1227 O HOH A 211 1081 1022 1044 -204 -14 31 O +HETATM 1228 O HOH A 212 8.927 26.592 10.286 1.00 20.37 O +ANISOU 1228 O HOH A 212 2798 1478 3463 -239 1262 -702 O +HETATM 1229 O HOH A 213 11.252 17.452 -11.204 1.00 16.28 O +ANISOU 1229 O HOH A 213 2112 1895 2180 8 369 -127 O +HETATM 1230 O HOH A 214 1.574 10.926 -15.362 1.00 14.91 O +ANISOU 1230 O HOH A 214 1530 2083 2050 103 -5 -136 O +HETATM 1231 O HOH A 215 0.506 7.870 5.059 1.00 21.69 O +ANISOU 1231 O HOH A 215 1936 1507 4798 317 1425 708 O +HETATM 1232 O HOH A 216 -5.211 18.075 9.278 0.50 9.19 O +ANISOU 1232 O HOH A 216 1109 1489 893 375 311 369 O +HETATM 1233 O HOH A 217 2.617 6.274 -9.457 1.00 17.96 O +ANISOU 1233 O HOH A 217 3087 2017 1719 -175 -253 -372 O +HETATM 1234 O HOH A 218 4.684 9.335 -11.341 1.00 18.23 O +ANISOU 1234 O HOH A 218 3022 2244 1661 855 421 -387 O +HETATM 1235 O HOH A 219 11.198 31.050 -3.434 1.00 19.58 O +ANISOU 1235 O HOH A 219 2491 1817 3132 -420 -494 715 O +HETATM 1236 O HOH A 220 8.825 3.975 1.196 0.50 13.39 O +ANISOU 1236 O HOH A 220 2198 1026 1865 -2 927 90 O +HETATM 1237 O HOH A 221 -7.181 25.667 -0.389 1.00 22.61 O +ANISOU 1237 O HOH A 221 3247 2451 2894 55 -1188 106 O +HETATM 1238 O HOH A 222 -2.591 7.278 0.790 1.00 18.40 O +ANISOU 1238 O HOH A 222 1919 2014 3056 291 -758 -183 O +HETATM 1239 O HOH A 223 6.527 25.713 11.560 1.00 17.80 O +ANISOU 1239 O HOH A 223 2422 2002 2339 400 320 -38 O +HETATM 1240 O HOH A 224 12.484 27.578 -7.261 0.50 18.07 O +ANISOU 1240 O HOH A 224 1557 1857 3452 -799 -357 880 O +HETATM 1241 O HOH A 225 6.245 14.807 -14.465 0.50 11.11 O +ANISOU 1241 O HOH A 225 1495 1819 909 616 -364 -146 O +HETATM 1242 O HOH A 226 6.669 18.984 -13.688 1.00 21.84 O +ANISOU 1242 O HOH A 226 2729 3173 2394 491 29 489 O +HETATM 1243 O HOH A 227 0.542 7.359 -10.811 1.00 16.80 O +ANISOU 1243 O HOH A 227 1909 1670 2806 61 -602 -582 O +HETATM 1244 O HOH A 228 4.248 9.026 9.511 0.50 9.69 O +ANISOU 1244 O HOH A 228 1345 1365 971 167 -34 21 O +HETATM 1245 O HOH A 229 18.905 28.780 5.122 1.00 24.92 O +ANISOU 1245 O HOH A 229 3527 3300 2640 -1705 -412 407 O +HETATM 1246 O HOH A 230 4.367 12.893 -15.107 1.00 19.79 O +ANISOU 1246 O HOH A 230 1891 3183 2446 402 647 -350 O +HETATM 1247 O HOH A 231 7.828 11.718 -13.141 0.50 13.19 O +ANISOU 1247 O HOH A 231 1253 1337 2422 246 -261 -1084 O +HETATM 1248 O HOH A 232 20.264 24.639 13.910 1.00 31.69 O +ANISOU 1248 O HOH A 232 1708 4197 6135 -1082 -1833 1517 O +HETATM 1249 O HOH A 233 19.399 8.834 -8.805 1.00 25.78 O +ANISOU 1249 O HOH A 233 1789 1868 6137 310 1636 325 O +HETATM 1250 O HOH A 234 18.383 11.625 3.797 1.00 24.48 O +ANISOU 1250 O HOH A 234 1887 2726 4688 -469 1180 -1105 O +HETATM 1251 O HOH A 235 25.011 28.643 -9.288 1.00 31.89 O +ANISOU 1251 O HOH A 235 7171 1930 3015 -937 2551 116 O +HETATM 1252 O HOH A 236 12.013 27.900 -5.769 0.50 12.37 O +ANISOU 1252 O HOH A 236 1113 1500 2087 -523 -504 570 O +HETATM 1253 O HOH A 237 -1.050 10.035 4.419 1.00 11.74 O +ANISOU 1253 O HOH A 237 2309 1172 979 137 353 -92 O +HETATM 1254 O HOH A 238 2.734 7.141 8.190 0.50 12.19 O +ANISOU 1254 O HOH A 238 1912 1230 1488 -363 -42 22 O +HETATM 1255 O HOH A 239 0.206 7.963 7.938 1.00 22.36 O +ANISOU 1255 O HOH A 239 2781 1869 3845 29 500 37 O +HETATM 1256 O HOH A 240 9.713 4.353 3.674 1.00 25.97 O +ANISOU 1256 O HOH A 240 5145 1758 2966 -1236 1362 -826 O +HETATM 1257 O HOH A 241 10.297 29.534 -7.369 0.50 14.98 O +ANISOU 1257 O HOH A 241 1502 1062 3129 -412 -797 704 O +HETATM 1258 O HOH A 242 6.460 8.131 -10.057 0.50 15.80 O +ANISOU 1258 O HOH A 242 1491 2840 1674 -818 741 -1496 O +HETATM 1259 O HOH A 243 25.939 29.985 -5.728 1.00 21.40 O +ANISOU 1259 O HOH A 243 1625 3126 3380 -560 -349 1076 O +HETATM 1260 O HOH A 244 19.669 20.306 9.789 0.50 14.81 O +ANISOU 1260 O HOH A 244 1096 2140 2389 -460 -155 -549 O +HETATM 1261 O HOH A 245 10.135 29.663 6.836 1.00 26.85 O +ANISOU 1261 O HOH A 245 5221 2368 2613 -1008 -164 -702 O +HETATM 1262 O HOH A 246 -1.913 5.018 -6.886 1.00 26.80 O +ANISOU 1262 O HOH A 246 2343 3460 4379 -581 1030 -2445 O +HETATM 1263 O HOH A 247 8.111 4.202 5.798 0.50 12.84 O +ANISOU 1263 O HOH A 247 2097 1527 1254 -215 -15 -250 O +HETATM 1264 O HOH A 248 -5.715 12.766 7.133 0.50 13.68 O +ANISOU 1264 O HOH A 248 1205 2267 1724 -337 157 166 O +HETATM 1265 O HOH A 249 21.721 18.695 -10.924 1.00 26.88 O +ANISOU 1265 O HOH A 249 2921 2820 4474 -484 1292 247 O +HETATM 1266 O HOH A 250 2.348 3.630 3.308 0.50 19.87 O +ANISOU 1266 O HOH A 250 4080 1516 1955 273 40 889 O +HETATM 1267 O HOH A 251 19.067 24.080 17.862 0.50 11.91 O +ANISOU 1267 O HOH A 251 1145 882 2499 -287 28 -261 O +HETATM 1268 O HOH A 252 5.035 26.629 9.536 1.00 23.76 O +ANISOU 1268 O HOH A 252 3604 2029 3395 -431 567 -1161 O +HETATM 1269 O HOH A 253 1.079 2.955 0.067 0.50 12.70 O +ANISOU 1269 O HOH A 253 1701 1092 2032 -288 -332 302 O +HETATM 1270 O HOH A 254 -4.124 29.002 1.631 1.00 23.35 O +ANISOU 1270 O HOH A 254 2655 2242 3974 1072 -358 -691 O +HETATM 1271 O HOH A 255 3.839 21.368 -18.016 1.00 34.99 O +ANISOU 1271 O HOH A 255 5007 4454 3832 -1236 2549 -789 O +HETATM 1272 O HOH A 256 -6.092 27.087 -10.935 1.00 23.22 O +ANISOU 1272 O HOH A 256 2480 2154 4191 62 -617 1139 O +HETATM 1273 O HOH A 257 13.787 -0.170 0.798 1.00 23.78 O +ANISOU 1273 O HOH A 257 2170 5222 1643 -293 512 -477 O +HETATM 1274 O HOH A 258 14.007 31.334 9.758 1.00 36.47 O +ANISOU 1274 O HOH A 258 8571 1746 3540 -1441 820 -734 O +HETATM 1275 O HOH A 259 24.695 24.861 -10.440 0.50 32.87 O +ANISOU 1275 O HOH A 259 4102 4209 4179 -538 2637 -439 O +HETATM 1276 O HOH A 260 1.419 24.832 11.250 1.00 29.16 O +ANISOU 1276 O HOH A 260 2157 5561 3360 448 1007 604 O +HETATM 1277 O HOH A 261 5.228 10.971 -13.056 1.00 24.75 O +ANISOU 1277 O HOH A 261 2019 2267 5119 43 706 -1183 O +HETATM 1278 O HOH A 262 6.216 7.998 9.801 0.50 16.61 O +ANISOU 1278 O HOH A 262 2709 2206 1398 -416 514 -308 O +HETATM 1279 O HOH A 263 -7.478 12.796 5.030 1.00 25.02 O +ANISOU 1279 O HOH A 263 3288 4080 2140 -1731 -270 952 O +HETATM 1280 O HOH A 264 4.312 1.839 -7.265 0.50 20.83 O +ANISOU 1280 O HOH A 264 3693 2413 1810 -391 719 -262 O +HETATM 1281 O HOH A 265 3.441 30.084 5.649 0.50 34.29 O +ANISOU 1281 O HOH A 265 5110 2448 5472 -344 1342 -1208 O +HETATM 1282 O HOH A 266 0.698 26.628 9.193 1.00 24.80 O +ANISOU 1282 O HOH A 266 2970 4035 2419 1040 -165 -767 O +HETATM 1283 O HOH A 267 14.907 29.300 5.998 1.00 38.18 O +ANISOU 1283 O HOH A 267 6483 3099 4924 -2820 -3969 2361 O +HETATM 1284 O HOH A 268 21.892 10.135 -6.722 1.00 23.68 O +ANISOU 1284 O HOH A 268 1804 1798 5395 -5 379 -711 O +HETATM 1285 O HOH A 269 6.475 3.188 -8.449 0.50 12.72 O +ANISOU 1285 O HOH A 269 1224 2267 1343 161 285 -224 O +HETATM 1286 O HOH A 270 -8.184 29.831 -2.959 1.00 23.49 O +ANISOU 1286 O HOH A 270 2108 2722 4095 72 176 -1121 O +HETATM 1287 O HOH A 271 2.118 25.151 -14.103 0.50 15.10 O +ANISOU 1287 O HOH A 271 2221 1272 2245 -16 -517 296 O +HETATM 1288 O HOH A 272 22.359 12.941 -6.850 0.50 22.16 O +ANISOU 1288 O HOH A 272 2202 889 5327 70 2163 -166 O +HETATM 1289 O HOH A 273 12.691 2.671 4.990 0.50 16.56 O +ANISOU 1289 O HOH A 273 2767 1949 1575 -1092 237 -141 O +HETATM 1290 O HOH A 274 -3.318 9.374 2.630 0.50 12.79 O +ANISOU 1290 O HOH A 274 1358 1469 2034 -218 417 -470 O +HETATM 1291 O HOH A 275 16.130 5.670 -4.468 0.50 15.02 O +ANISOU 1291 O HOH A 275 2568 1763 1377 418 -78 -55 O +HETATM 1292 O HOH A 276 4.132 25.728 15.387 1.00 24.86 O +ANISOU 1292 O HOH A 276 1913 2901 4631 -134 330 -760 O +HETATM 1293 O HOH A 277 21.862 21.351 -12.319 1.00 31.93 O +ANISOU 1293 O HOH A 277 4539 4611 2982 -848 1081 -459 O +HETATM 1294 O HOH A 278 -4.815 26.042 5.831 1.00 34.96 O +ANISOU 1294 O HOH A 278 6920 2980 3383 163 2201 -319 O +HETATM 1295 O HOH A 279 1.763 7.483 12.276 0.50 17.21 O +ANISOU 1295 O HOH A 279 3210 1681 1648 -879 532 70 O +HETATM 1296 O HOH A 280 3.910 9.554 -14.617 1.00 35.05 O +ANISOU 1296 O HOH A 280 2048 3103 8165 1057 -668 -28 O +HETATM 1297 O HOH A 281 16.672 29.665 3.813 1.00 23.15 O +ANISOU 1297 O HOH A 281 3880 2483 2432 -937 849 -457 O +HETATM 1298 O HOH A 282 -9.803 23.626 0.874 1.00 36.33 O +ANISOU 1298 O HOH A 282 4005 4272 5528 2028 -1331 761 O +HETATM 1299 O HOH A 283 21.593 17.351 5.755 1.00 25.70 O +ANISOU 1299 O HOH A 283 1981 4704 3081 -917 -1019 1827 O +HETATM 1300 O HOH A 284 13.213 29.049 3.841 0.50 11.59 O +ANISOU 1300 O HOH A 284 1637 1036 1730 -318 377 -144 O +HETATM 1301 O HOH A 285 6.922 5.967 -9.098 0.50 11.54 O +ANISOU 1301 O HOH A 285 1034 2061 1291 32 22 -258 O +HETATM 1302 O HOH A 286 2.081 2.972 -2.057 1.00 25.86 O +ANISOU 1302 O HOH A 286 2064 3161 4602 31 43 2154 O +HETATM 1303 O HOH A 287 3.489 33.636 -2.711 1.00 49.61 O +ANISOU 1303 O HOH A 287 8667 2775 7408 -2425 -344 1135 O +HETATM 1304 O HOH A 288 6.276 3.005 9.600 0.50 13.03 O +ANISOU 1304 O HOH A 288 1680 1427 1843 -5 -471 265 O +HETATM 1305 O HOH A 289 -3.643 31.553 0.945 1.00 36.79 O +ANISOU 1305 O HOH A 289 4986 2122 6870 752 -891 -169 O +HETATM 1306 O HOH A 290 -1.553 3.021 0.638 1.00 28.41 O +ANISOU 1306 O HOH A 290 3170 2388 5235 -663 1952 142 O +HETATM 1307 O HOH A 291 11.550 25.391 -13.619 1.00 26.31 O +ANISOU 1307 O HOH A 291 3221 2961 3816 -800 -560 824 O +HETATM 1308 O HOH A 292 17.082 27.817 14.838 0.50 17.06 O +ANISOU 1308 O HOH A 292 2560 1415 2507 -33 -951 -24 O +HETATM 1309 O HOH A 293 26.139 26.776 -1.384 1.00 40.88 O +ANISOU 1309 O HOH A 293 1977 7432 6125 294 -1338 1279 O +HETATM 1310 O HOH A 294 18.091 29.559 8.446 1.00 35.08 O +ANISOU 1310 O HOH A 294 5234 3122 4971 -2142 -3025 2119 O +HETATM 1311 O HOH A 295 19.266 5.642 -2.177 1.00 25.80 O +ANISOU 1311 O HOH A 295 3432 3872 2498 450 -503 314 O +HETATM 1312 O HOH A 296 -2.178 6.727 -9.926 1.00 28.01 O +ANISOU 1312 O HOH A 296 3646 2191 4806 151 628 -605 O +HETATM 1313 O HOH A 297 16.144 17.642 -16.824 1.00 45.41 O +ANISOU 1313 O HOH A 297 6424 5722 5107 -1519 353 -2004 O +HETATM 1314 O HOH A 298 -10.125 29.915 -7.103 1.00 23.80 O +ANISOU 1314 O HOH A 298 2720 2414 3909 453 -18 -137 O +HETATM 1315 O HOH A 299 -7.203 16.599 8.841 0.50 32.02 O +ANISOU 1315 O HOH A 299 4617 5785 1763 -1738 1781 307 O +HETATM 1316 O HOH A 300 23.966 21.330 0.621 1.00 28.84 O +ANISOU 1316 O HOH A 300 1585 5177 4197 -181 -193 2105 O +HETATM 1317 O HOH A 301 3.145 27.923 -14.306 1.00 40.96 O +ANISOU 1317 O HOH A 301 6217 4885 4461 998 -2140 -176 O +HETATM 1318 O HOH A 302 15.199 24.131 -14.167 0.50 21.90 O +ANISOU 1318 O HOH A 302 3890 2514 1918 -1250 901 -148 O +HETATM 1319 O HOH A 303 21.201 24.439 -12.337 1.00 31.64 O +ANISOU 1319 O HOH A 303 4818 2978 4225 315 1065 436 O +HETATM 1320 O HOH A 304 2.259 26.158 13.123 1.00 44.95 O +ANISOU 1320 O HOH A 304 4760 6334 5983 -123 2299 -2373 O +HETATM 1321 O HOH A 305 -12.469 17.608 -0.484 1.00 37.53 O +ANISOU 1321 O HOH A 305 4660 4334 5267 1244 -1854 -55 O +HETATM 1322 O HOH A 306 17.818 3.358 -2.783 0.50 19.58 O +ANISOU 1322 O HOH A 306 1811 4693 936 -128 351 -296 O +HETATM 1323 O HOH A 307 -0.159 30.822 -12.519 1.00 46.64 O +ANISOU 1323 O HOH A 307 4264 7360 6098 -516 -1566 389 O +HETATM 1324 O HOH A 308 0.771 3.305 -6.165 1.00 32.02 O +ANISOU 1324 O HOH A 308 2914 5134 4118 -1459 159 -1858 O +HETATM 1325 O HOH A 309 10.251 0.333 4.515 1.00 35.05 O +ANISOU 1325 O HOH A 309 3454 3134 6731 722 -546 -1385 O +HETATM 1326 O HOH A 310 5.818 21.936 17.000 1.00 27.85 O +ANISOU 1326 O HOH A 310 2711 4741 3130 1302 943 1844 O +HETATM 1327 O HOH A 311 6.796 29.520 6.666 1.00 42.36 O +ANISOU 1327 O HOH A 311 7692 1670 6735 -136 1733 -778 O +HETATM 1328 O HOH A 312 21.134 26.045 7.180 1.00 36.70 O +ANISOU 1328 O HOH A 312 6868 5027 2050 -2624 -207 -477 O +HETATM 1329 O HOH A 313 -8.899 20.097 5.349 1.00 31.32 O +ANISOU 1329 O HOH A 313 4523 3997 3378 1753 483 284 O +HETATM 1330 O HOH A 314 13.545 31.413 2.482 0.50 21.88 O +ANISOU 1330 O HOH A 314 4630 1667 2017 -606 859 452 O +HETATM 1331 O HOH A 315 4.062 18.501 16.349 0.50 12.12 O +ANISOU 1331 O HOH A 315 1307 1359 1940 276 107 -558 O +HETATM 1332 O HOH A 316 11.474 31.210 0.413 1.00 27.26 O +ANISOU 1332 O HOH A 316 3122 3679 3557 742 349 -1222 O +HETATM 1333 O HOH A 317 25.001 25.955 -5.287 1.00 29.69 O +ANISOU 1333 O HOH A 317 3079 3293 4910 -25 -686 1922 O +HETATM 1334 O HOH A 318 27.508 26.958 10.850 1.00 38.81 O +ANISOU 1334 O HOH A 318 4661 6068 4019 -159 -41 -3309 O +HETATM 1335 O HOH A 319 -7.626 31.298 -6.662 1.00 29.36 O +ANISOU 1335 O HOH A 319 4242 2431 4481 708 78 -415 O +HETATM 1336 O HOH A 320 17.374 32.169 3.029 1.00 36.66 O +ANISOU 1336 O HOH A 320 5140 4278 4511 548 -1342 -1342 O +HETATM 1337 O HOH A 321 9.222 18.427 -14.514 1.00 41.03 O +ANISOU 1337 O HOH A 321 3344 6067 6180 338 1349 -1211 O +HETATM 1338 O HOH A 322 -1.756 32.628 -1.222 1.00 46.39 O +ANISOU 1338 O HOH A 322 7293 3301 7033 3310 -263 -238 O +HETATM 1339 O HOH A 323 5.337 32.110 -6.199 1.00 39.99 O +ANISOU 1339 O HOH A 323 2998 5022 7175 -1192 539 3026 O +HETATM 1340 O HOH A 324 13.880 20.428 22.432 0.50 16.92 O +ANISOU 1340 O HOH A 324 3746 1038 1643 -380 -800 120 O +HETATM 1341 O HOH A 325 11.861 1.369 1.547 0.50 19.89 O +ANISOU 1341 O HOH A 325 3346 1477 2736 657 1913 458 O +HETATM 1342 O HOH A 326 12.703 27.428 5.462 1.00 37.71 O +ANISOU 1342 O HOH A 326 3072 5813 5445 -450 -1153 3525 O +HETATM 1343 O AHOH A 327 19.128 10.658 1.597 0.70 19.33 O +ANISOU 1343 O AHOH A 327 2703 2616 2026 -741 -106 -320 O +HETATM 1344 O HOH A 328 -10.211 16.735 3.818 1.00 43.18 O +ANISOU 1344 O HOH A 328 5179 7036 4191 -702 1630 -1145 O +HETATM 1345 O HOH A 329 -9.285 15.434 -0.630 0.50 16.50 O +ANISOU 1345 O HOH A 329 2549 1735 1986 345 825 179 O +HETATM 1346 O HOH A 330 12.849 16.156 -14.571 0.50 16.72 O +ANISOU 1346 O HOH A 330 2180 1937 2236 -49 228 -275 O +HETATM 1347 O HOH A 331 15.036 5.260 -2.944 0.50 20.07 O +ANISOU 1347 O HOH A 331 2652 2172 2801 98 -1377 -212 O +HETATM 1348 O HOH A 332 10.759 19.735 -10.092 1.00 41.78 O +ANISOU 1348 O HOH A 332 9420 2217 4237 -2143 4666 -1333 O +HETATM 1349 O HOH A 333 2.277 1.621 1.805 0.50 23.68 O +ANISOU 1349 O HOH A 333 5125 2161 1712 1268 -538 186 O +HETATM 1350 O HOH A 334 1.825 3.712 -8.841 0.50 18.73 O +ANISOU 1350 O HOH A 334 2381 1926 2808 -71 951 -367 O +HETATM 1351 O HOH A 335 -0.984 5.762 4.390 0.50 17.81 O +ANISOU 1351 O HOH A 335 1677 1540 3551 -233 683 174 O +HETATM 1352 O HOH A 336 4.932 3.632 4.495 1.00 40.59 O +ANISOU 1352 O HOH A 336 5202 2634 7585 -198 1466 -637 O +HETATM 1353 O HOH A 337 -0.727 5.252 -8.943 1.00 40.77 O +ANISOU 1353 O HOH A 337 6349 5257 3884 -3446 2645 -1395 O +HETATM 1354 O HOH A 338 -1.692 13.251 -13.294 0.50 11.89 O +ANISOU 1354 O HOH A 338 1316 1561 1641 43 -189 -419 O +HETATM 1355 O HOH A 339 4.818 6.540 -11.180 0.50 14.95 O +ANISOU 1355 O HOH A 339 1484 2325 1871 -257 619 60 O +HETATM 1356 O HOH A 340 20.367 12.822 0.480 1.00 37.07 O +ANISOU 1356 O HOH A 340 6792 3237 4055 -1553 2625 -586 O +HETATM 1357 O HOH A 341 19.575 6.006 -5.000 1.00 35.79 O +ANISOU 1357 O HOH A 341 4086 2947 6564 -812 1750 -2328 O +HETATM 1358 O HOH A 342 20.032 8.327 -5.918 0.50 13.95 O +ANISOU 1358 O HOH A 342 982 1555 2764 6 -181 -153 O +HETATM 1359 O HOH A 343 25.986 19.797 -7.786 1.00 35.93 O +ANISOU 1359 O HOH A 343 2708 3238 7704 -190 1186 65 O +HETATM 1360 O HOH A 344 26.429 11.194 -6.082 1.00 43.61 O +ANISOU 1360 O HOH A 344 7147 3867 5557 -905 27 -791 O +HETATM 1361 O HOH A 345 21.860 25.680 -10.519 1.00 37.95 O +ANISOU 1361 O HOH A 345 6810 3617 3992 -2412 -1054 1719 O +HETATM 1362 O HOH A 346 13.711 6.810 6.139 1.00 36.44 O +ANISOU 1362 O HOH A 346 6612 4223 3011 624 -214 -881 O +HETATM 1363 O HOH A 347 10.945 2.432 3.417 1.00 39.11 O +ANISOU 1363 O HOH A 347 4718 4353 5791 -951 727 849 O +HETATM 1364 O HOH A 348 21.636 20.043 8.214 0.50 29.56 O +ANISOU 1364 O HOH A 348 1649 6434 3150 -418 -189 2454 O +HETATM 1365 O HOH A 349 8.914 13.921 20.181 0.50 17.00 O +ANISOU 1365 O HOH A 349 2222 2623 1614 -160 6 545 O +HETATM 1366 O HOH A 350 10.005 17.448 20.555 0.50 25.66 O +ANISOU 1366 O HOH A 350 1963 6990 795 441 -170 -238 O +HETATM 1367 O HOH A 351 19.491 10.755 -10.376 0.50 19.75 O +ANISOU 1367 O HOH A 351 3316 2029 2158 -539 155 -161 O +HETATM 1368 O HOH A 352 -1.051 28.063 -14.146 1.00 37.99 O +ANISOU 1368 O HOH A 352 7709 3612 3114 -1579 -662 643 O +HETATM 1369 O HOH A 353 0.211 33.426 2.643 1.00 34.56 O +ANISOU 1369 O HOH A 353 4335 2811 5985 856 -529 -1411 O +HETATM 1370 O HOH A 354 8.802 29.377 9.118 1.00 42.97 O +ANISOU 1370 O HOH A 354 4930 4123 7273 927 -1693 -57 O +HETATM 1371 O HOH A 355 12.334 28.308 1.620 1.00 63.99 O +ANISOU 1371 O HOH A 355 4961 10626 8727 -1389 610 -1363 O +HETATM 1372 O HOH A 356 6.681 20.526 -15.903 1.00 41.96 O +ANISOU 1372 O HOH A 356 3925 6486 5532 719 1932 1197 O +HETATM 1373 O HOH A 357 -1.021 34.929 -4.313 1.00 40.75 O +ANISOU 1373 O HOH A 357 4526 2182 8777 -341 157 -449 O +HETATM 1374 O HOH A 358 -5.014 33.397 -6.253 1.00 43.59 O +ANISOU 1374 O HOH A 358 4210 4371 7980 1712 -1370 -31 O +HETATM 1375 O HOH A 359 8.106 30.888 -6.741 1.00 52.69 O +ANISOU 1375 O HOH A 359 10008 3877 6136 409 -1385 2634 O +HETATM 1376 O HOH A 360 -5.734 31.961 -8.083 1.00 42.91 O +ANISOU 1376 O HOH A 360 4853 7046 4403 2285 -879 -1309 O +HETATM 1377 O HOH A 361 22.870 5.480 -1.692 1.00 34.75 O +ANISOU 1377 O HOH A 361 3929 5205 4068 1209 -262 -2109 O +HETATM 1378 O HOH A 362 24.399 28.305 2.458 1.00 49.14 O +ANISOU 1378 O HOH A 362 7236 5456 5980 284 -1655 1352 O +HETATM 1379 O HOH A 363 23.343 16.796 -3.826 1.00 38.59 O +ANISOU 1379 O HOH A 363 3214 5842 5608 2059 302 471 O +HETATM 1380 O HOH A 364 20.894 10.898 -8.600 1.00 37.12 O +ANISOU 1380 O HOH A 364 2700 3690 7713 -781 1000 -1846 O +HETATM 1381 O HOH A 365 26.762 26.508 -10.278 1.00 46.60 O +ANISOU 1381 O HOH A 365 6554 4479 6674 -1335 3668 -670 O +HETATM 1382 O HOH A 366 3.796 2.423 8.679 1.00 27.84 O +ANISOU 1382 O HOH A 366 3478 3032 4070 -447 -436 -105 O +HETATM 1383 O HOH A 367 5.371 6.693 10.632 0.50 19.40 O +ANISOU 1383 O HOH A 367 2109 2766 2495 385 734 -195 O +HETATM 1384 O HOH A 368 21.073 22.786 6.893 1.00 41.50 O +ANISOU 1384 O HOH A 368 5497 6794 3475 -3463 -1223 104 O +HETATM 1385 O HOH A 369 21.811 23.947 8.792 1.00 32.30 O +ANISOU 1385 O HOH A 369 2832 6247 3194 -1028 1249 -981 O +HETATM 1386 O HOH A 370 26.512 21.917 -8.499 1.00 42.67 O +ANISOU 1386 O HOH A 370 2757 4473 8982 -689 1274 274 O +HETATM 1387 O HOH A 371 -9.424 14.375 6.364 0.50 25.14 O +ANISOU 1387 O HOH A 371 3497 2766 3290 -263 -256 916 O +HETATM 1388 O HOH A 372 -7.681 14.023 7.068 0.50 29.25 O +ANISOU 1388 O HOH A 372 2543 4769 3802 -128 -1026 1728 O +HETATM 1389 O HOH A 373 -4.629 6.447 8.917 1.00 35.69 O +ANISOU 1389 O HOH A 373 3480 3108 6972 -694 -1623 1630 O +HETATM 1390 O HOH A 374 -2.022 6.542 9.601 0.50 20.89 O +ANISOU 1390 O HOH A 374 2694 1585 3660 222 -133 -11 O +HETATM 1391 O HOH A 375 6.594 17.573 17.667 1.00 19.00 O +ANISOU 1391 O HOH A 375 3374 2533 1313 -2036 736 -564 O +HETATM 1392 O HOH A 376 18.858 24.105 -15.440 1.00 49.52 O +ANISOU 1392 O HOH A 376 8142 5411 5263 -314 533 -1101 O +HETATM 1393 O HOH A 377 18.782 4.651 2.026 0.50 27.53 O +ANISOU 1393 O HOH A 377 5289 2785 2386 571 -1818 -1088 O +HETATM 1394 O HOH A 378 -11.431 19.531 3.366 0.50 28.43 O +ANISOU 1394 O HOH A 378 1904 4623 4273 816 128 1343 O +HETATM 1395 O HOH A 379 23.793 17.791 -10.502 0.50 33.38 O +ANISOU 1395 O HOH A 379 5089 4099 3493 -2115 2440 -581 O +HETATM 1396 O HOH A 380 15.082 22.813 -16.407 0.50 29.15 O +ANISOU 1396 O HOH A 380 4029 3388 3658 47 515 177 O +HETATM 1397 O HOH A 381 -12.205 21.047 0.570 0.50 32.18 O +ANISOU 1397 O HOH A 381 3961 1924 6340 710 -809 314 O +HETATM 1398 O HOH A 382 21.391 8.774 2.323 1.00 55.44 O +ANISOU 1398 O HOH A 382 7415 7618 6033 -750 4237 -648 O +HETATM 1399 O HOH A 383 15.264 20.567 -16.047 1.00 41.26 O +ANISOU 1399 O HOH A 383 7147 5340 3191 -2128 856 -803 O +HETATM 1400 O HOH A 384 -6.093 28.124 7.065 1.00 37.20 O +ANISOU 1400 O HOH A 384 6231 3463 4440 1394 1705 1007 O +HETATM 1401 O HOH A 385 6.850 1.050 2.461 1.00 38.01 O +ANISOU 1401 O HOH A 385 6683 3059 4700 206 768 -1139 O +HETATM 1402 O HOH A 386 2.519 30.128 -13.688 1.00 47.46 O +ANISOU 1402 O HOH A 386 6200 4815 7016 -1473 -3506 2762 O +HETATM 1403 O HOH A 387 21.003 21.662 -14.851 1.00 49.37 O +ANISOU 1403 O HOH A 387 4060 7565 7135 -211 1430 1250 O +HETATM 1404 O HOH A 388 28.844 26.604 -13.328 1.00 71.85 O +ANISOU 1404 O HOH A 388 8075 9185 10039 984 -2527 1524 O +HETATM 1405 O HOH A 389 -4.033 28.046 9.067 1.00 39.79 O +ANISOU 1405 O HOH A 389 6023 3582 5514 1340 -426 -487 O +HETATM 1406 O HOH A 390 8.769 31.356 -3.079 0.50 28.76 O +ANISOU 1406 O HOH A 390 3120 2821 4985 480 -1156 503 O +HETATM 1407 O HOH A 391 21.755 23.125 12.929 1.00 36.05 O +ANISOU 1407 O HOH A 391 6412 3157 4127 -1514 -1473 626 O +HETATM 1408 O HOH A 392 26.769 32.138 1.604 1.00 54.45 O +ANISOU 1408 O HOH A 392 7383 7523 5784 -1606 -2892 -588 O +HETATM 1409 O HOH A 393 -6.425 10.093 6.754 0.50 32.26 O +ANISOU 1409 O HOH A 393 2329 3516 6411 -1032 -1044 1237 O +HETATM 1410 O HOH A 394 -0.868 27.878 -16.729 1.00 50.44 O +ANISOU 1410 O HOH A 394 7294 5288 6581 266 419 1324 O +HETATM 1411 O HOH A 395 22.130 16.216 -11.924 1.00 49.55 O +ANISOU 1411 O HOH A 395 7824 7260 3744 -769 -1206 -267 O +HETATM 1412 O HOH A 396 -1.641 31.201 5.933 1.00 48.98 O +ANISOU 1412 O HOH A 396 7160 4952 6498 1562 1450 -1429 O +HETATM 1413 O HOH A 397 6.827 28.402 -18.504 1.00 45.24 O +ANISOU 1413 O HOH A 397 5515 6838 4835 -773 -1135 568 O +HETATM 1414 O HOH A 398 23.702 18.311 -0.893 1.00 47.44 O +ANISOU 1414 O HOH A 398 3790 7560 6673 561 -1160 769 O +HETATM 1415 O HOH A 399 -4.285 34.439 4.795 1.00 57.63 O +ANISOU 1415 O HOH A 399 7658 6609 7631 1268 737 -384 O +HETATM 1416 O HOH A 400 -6.970 32.351 -3.174 1.00 41.44 O +ANISOU 1416 O HOH A 400 3374 4093 8280 -729 -839 465 O +HETATM 1417 O HOH A 401 0.331 1.283 4.579 1.00 59.02 O +ANISOU 1417 O HOH A 401 8008 6449 7968 -238 10 1179 O +HETATM 1418 O HOH A 402 25.898 15.442 -5.090 1.00 49.06 O +ANISOU 1418 O HOH A 402 5023 6141 7475 1931 -988 -143 O +HETATM 1419 O HOH A 403 23.085 11.748 5.476 1.00 50.85 O +ANISOU 1419 O HOH A 403 3713 8049 7558 -492 1061 -393 O +HETATM 1420 O HOH A 404 0.914 1.195 -4.261 1.00 44.11 O +ANISOU 1420 O HOH A 404 5432 5424 5902 -411 1674 -1756 O +HETATM 1421 O HOH A 405 9.100 30.329 1.478 1.00 41.01 O +ANISOU 1421 O HOH A 405 4332 6228 5021 0 135 -2172 O +HETATM 1422 O HOH A 406 -6.647 31.676 -0.632 1.00 44.11 O +ANISOU 1422 O HOH A 406 5244 4185 7333 2931 -471 421 O +HETATM 1423 O HOH A 407 1.619 34.815 -4.282 1.00 40.21 O +ANISOU 1423 O HOH A 407 6212 2864 6204 -1585 -1313 715 O +HETATM 1424 O HOH A 408 3.959 25.243 -15.466 1.00 60.18 O +ANISOU 1424 O HOH A 408 7499 7482 7887 1439 -2388 2038 O +HETATM 1425 O HOH A 409 6.470 31.866 -4.224 1.00 65.04 O +ANISOU 1425 O HOH A 409 8930 8078 7703 -206 774 -1039 O +HETATM 1426 O HOH A 410 -1.301 0.447 -7.129 1.00 55.31 O +ANISOU 1426 O HOH A 410 6858 7397 6762 -256 1552 316 O +HETATM 1427 O HOH A 411 11.892 5.259 -2.517 0.50 31.39 O +ANISOU 1427 O HOH A 411 3833 3859 4237 -13 808 2589 O +HETATM 1428 O HOH A 412 20.366 6.075 0.290 0.50 25.63 O +ANISOU 1428 O HOH A 412 3598 2853 3288 1201 -1289 -800 O +HETATM 1429 O HOH A 413 25.723 15.756 -0.913 0.50 40.18 O +ANISOU 1429 O HOH A 413 4419 5600 5249 599 -2532 461 O +HETATM 1430 O HOH A 414 0.749 3.884 5.655 0.50 24.51 O +ANISOU 1430 O HOH A 414 3050 2877 3386 534 679 1384 O +HETATM 1431 O HOH A 415 -11.598 15.649 5.579 0.50 28.95 O +ANISOU 1431 O HOH A 415 4119 3048 3833 -1073 859 -1143 O +HETATM 1432 O HOH A 416 7.246 31.380 -0.098 0.50 27.17 O +ANISOU 1432 O HOH A 416 2146 3030 5147 -766 -111 254 O +HETATM 1433 O HOH A 417 22.690 28.349 4.242 0.50 31.28 O +ANISOU 1433 O HOH A 417 4527 3034 4325 -2460 -400 -820 O +HETATM 1434 O HOH A 418 7.856 31.040 -10.001 0.50 35.89 O +ANISOU 1434 O HOH A 418 6765 1529 5344 -391 -2424 1319 O +HETATM 1435 O HOH A 419 13.808 29.806 2.760 0.50 25.70 O +ANISOU 1435 O HOH A 419 4555 2099 3110 -854 1455 -479 O +HETATM 1436 O HOH A 420 -2.249 25.866 9.129 0.50 29.38 O +ANISOU 1436 O HOH A 420 3040 2827 5296 1647 1584 666 O +HETATM 1437 O HOH A 421 24.390 22.524 -11.829 0.50 28.33 O +ANISOU 1437 O HOH A 421 4504 2954 3304 362 1786 529 O +HETATM 1438 O HOH A 422 10.815 28.211 -8.338 0.50 30.76 O +ANISOU 1438 O HOH A 422 2964 2832 5892 -894 -872 1177 O +HETATM 1439 O HOH A 423 -6.810 29.357 -9.336 0.50 27.08 O +ANISOU 1439 O HOH A 423 2565 3377 4347 642 -205 2210 O +HETATM 1440 O HOH A 424 20.857 10.776 4.394 0.50 31.07 O +ANISOU 1440 O HOH A 424 4645 4346 2815 -752 -350 1514 O +HETATM 1441 O HOH A 425 8.854 30.511 4.165 0.50 35.43 O +ANISOU 1441 O HOH A 425 6762 1870 4829 23 -2297 99 O +HETATM 1442 O HOH A 426 19.063 33.157 7.294 0.50 31.07 O +ANISOU 1442 O HOH A 426 5264 3610 2930 -1607 1300 -368 O +HETATM 1443 O HOH A 427 -1.061 28.951 12.517 0.50 32.99 O +ANISOU 1443 O HOH A 427 3155 5579 3800 -111 1280 254 O +HETATM 1444 O HOH A 428 -4.487 33.009 -2.068 0.50 32.01 O +ANISOU 1444 O HOH A 428 3398 2422 6344 109 944 -1546 O +HETATM 1445 O HOH A 429 -8.923 22.547 4.264 0.50 41.90 O +ANISOU 1445 O HOH A 429 7475 4441 4005 -953 1168 50 O +HETATM 1446 O HOH A 430 2.425 4.756 8.089 0.50 36.88 O +ANISOU 1446 O HOH A 430 5295 3324 5395 1730 -174 -1053 O +HETATM 1447 O HOH A 431 24.160 21.095 -1.939 0.50 36.29 O +ANISOU 1447 O HOH A 431 5411 3821 4554 881 -2553 1599 O +HETATM 1448 O HOH A 432 24.680 13.626 -7.571 0.50 30.93 O +ANISOU 1448 O HOH A 432 1979 3776 5997 -33 1124 -624 O +HETATM 1449 O HOH A 433 11.448 33.875 -0.750 0.50 27.47 O +ANISOU 1449 O HOH A 433 4670 2201 3567 8 1202 182 O +HETATM 1450 O HOH A 434 23.632 18.998 4.867 0.50 28.01 O +ANISOU 1450 O HOH A 434 2596 4387 3660 -1529 -517 1218 O +HETATM 1451 O HOH A 435 -6.826 32.041 1.628 0.50 33.32 O +ANISOU 1451 O HOH A 435 3389 3904 5367 1990 -351 -84 O +HETATM 1452 O HOH A 436 25.592 24.418 -8.641 0.50 24.74 O +ANISOU 1452 O HOH A 436 1574 2337 5489 4 440 81 O +HETATM 1453 O HOH A 437 -12.952 19.574 4.625 0.50 45.92 O +ANISOU 1453 O HOH A 437 5276 5613 6560 1044 -1296 911 O +HETATM 1454 O HOH A 438 25.887 17.860 2.031 0.50 48.08 O +ANISOU 1454 O HOH A 438 5623 6409 6238 -596 -1415 106 O +HETATM 1455 O HOH A 439 29.073 21.741 7.558 0.50 39.43 O +ANISOU 1455 O HOH A 439 5768 4267 4945 1057 -909 1459 O +HETATM 1456 O HOH A 440 27.020 9.419 -4.396 0.50 25.60 O +ANISOU 1456 O HOH A 440 2298 3822 3605 404 -538 -1095 O +HETATM 1457 O HOH A 441 24.042 23.984 10.059 0.50 43.96 O +ANISOU 1457 O HOH A 441 5643 5430 5631 77 -1861 -235 O +HETATM 1458 O HOH A 442 -1.952 32.928 3.319 0.50 33.98 O +ANISOU 1458 O HOH A 442 3966 2777 6170 -16 2025 -1454 O +HETATM 1459 O HOH A 443 20.605 31.142 5.283 0.50 30.84 O +ANISOU 1459 O HOH A 443 5297 3915 2505 -1738 -1211 -245 O +HETATM 1460 O HOH A 444 0.897 0.024 9.473 0.50 66.76 O +ANISOU 1460 O HOH A 444 8663 7875 8827 410 1053 -500 O +HETATM 1461 O HOH A 445 -3.420 6.190 5.936 0.50 32.36 O +ANISOU 1461 O HOH A 445 3021 4026 5247 -1224 1257 -2597 O +HETATM 1462 O HOH A 446 1.755 34.244 -7.001 0.50 33.17 O +ANISOU 1462 O HOH A 446 5677 2130 4797 356 852 -444 O +HETATM 1463 O HOH A 447 4.343 1.608 6.063 0.50 27.85 O +ANISOU 1463 O HOH A 447 4135 3118 3327 1176 48 98 O +HETATM 1464 O HOH A 448 2.752 5.482 11.065 0.50 33.84 O +ANISOU 1464 O HOH A 448 3639 2987 6233 -452 187 1888 O +HETATM 1465 O HOH A 449 0.047 2.676 -10.293 0.50 23.17 O +ANISOU 1465 O HOH A 449 3481 2463 2859 -330 -237 -406 O +HETATM 1466 O HOH A 450 24.814 28.183 8.630 0.50 32.75 O +ANISOU 1466 O HOH A 450 5630 4638 2176 -1285 133 -974 O +HETATM 1467 O HOH A 451 19.389 2.761 -1.043 0.50 28.51 O +ANISOU 1467 O HOH A 451 2350 5350 3130 444 -441 267 O +HETATM 1468 O HOH A 452 28.478 22.878 -9.205 0.50 42.54 O +ANISOU 1468 O HOH A 452 4718 5847 5599 -1117 -641 -499 O +HETATM 1469 O HOH A 453 -10.954 16.526 1.231 0.50 33.64 O +ANISOU 1469 O HOH A 453 4388 2624 5770 88 761 -1069 O +HETATM 1470 O HOH A 454 -4.113 39.434 5.092 0.50 33.20 O +ANISOU 1470 O HOH A 454 4798 3923 3892 770 -1365 -421 O +HETATM 1471 O HOH A 455 1.193 35.038 -1.970 0.50 39.33 O +ANISOU 1471 O HOH A 455 2200 6811 5934 -28 757 -1001 O +HETATM 1472 O HOH A 456 -2.562 3.004 3.309 0.50 36.34 O +ANISOU 1472 O HOH A 456 5135 3545 5127 683 494 -90 O +HETATM 1473 O HOH A 457 0.336 35.316 7.355 0.50 36.69 O +ANISOU 1473 O HOH A 457 4514 5100 4327 -1020 -599 549 O +HETATM 1474 O HOH A 458 29.509 27.346 -8.502 0.50 44.64 O +ANISOU 1474 O HOH A 458 6660 5152 5148 -1404 687 1496 O +HETATM 1475 O HOH A 459 -3.545 35.056 1.960 0.50 33.86 O +ANISOU 1475 O HOH A 459 4821 3903 4142 913 604 -1060 O +HETATM 1476 O HOH A 460 18.246 20.808 -16.631 0.50 30.67 O +ANISOU 1476 O HOH A 460 3553 4949 3154 235 33 -538 O +HETATM 1477 O HOH A 461 -1.035 33.522 -7.587 0.50 31.69 O +ANISOU 1477 O HOH A 461 4396 1523 6122 -355 661 375 O +HETATM 1478 O HOH A 462 24.826 12.599 -5.232 0.50 34.49 O +ANISOU 1478 O HOH A 462 3659 5465 3979 -1014 -682 -116 O +HETATM 1479 O HOH A 463 11.499 30.607 4.293 0.50 24.31 O +ANISOU 1479 O HOH A 463 3503 2923 2810 448 289 216 O +HETATM 1480 O HOH A 464 5.550 32.436 1.594 0.50 36.96 O +ANISOU 1480 O HOH A 464 6642 3473 3930 -2910 -2049 -28 O +HETATM 1481 O HOH A 465 -3.786 31.032 4.869 0.50 41.46 O +ANISOU 1481 O HOH A 465 4372 6820 4560 -791 1125 1205 O +HETATM 1482 O HOH A 466 -0.126 26.929 13.794 0.50 41.31 O +ANISOU 1482 O HOH A 466 3576 5858 6261 2199 2781 -811 O +HETATM 1483 O HOH A 467 5.137 31.948 -8.944 0.50 37.14 O +ANISOU 1483 O HOH A 467 5371 2683 6058 779 448 -700 O +HETATM 1484 O HOH A 468 5.564 22.793 -16.862 0.50 33.61 O +ANISOU 1484 O HOH A 468 3151 4549 5071 -450 148 2076 O +HETATM 1485 O HOH A 469 21.463 13.968 -1.184 0.50 41.48 O +ANISOU 1485 O HOH A 469 5543 5262 4957 -2452 -1318 1728 O +HETATM 1486 O HOH A 470 -2.307 30.371 8.608 0.50 37.20 O +ANISOU 1486 O HOH A 470 5146 4227 4760 -438 -694 -1369 O +HETATM 1487 O HOH A 471 3.159 31.932 4.466 0.50 37.38 O +ANISOU 1487 O HOH A 471 6498 2310 5396 62 1361 -594 O +HETATM 1488 O HOH A 472 2.428 1.270 -9.316 0.50 32.82 O +ANISOU 1488 O HOH A 472 3415 3952 5104 1086 -467 -104 O +HETATM 1489 O HOH A 473 26.788 30.412 3.232 0.50 42.87 O +ANISOU 1489 O HOH A 473 5532 5898 4859 -241 533 984 O +HETATM 1490 O HOH A 474 26.251 13.802 -0.705 0.50 46.97 O +ANISOU 1490 O HOH A 474 5121 6663 6063 195 -565 -147 O +HETATM 1491 O HOH A 475 25.115 32.740 3.079 0.50 37.11 O +ANISOU 1491 O HOH A 475 3437 6412 4253 -2045 -1075 920 O +HETATM 1492 O HOH A 476 -4.445 34.994 -8.815 0.50 35.25 O +ANISOU 1492 O HOH A 476 4049 3625 5722 1811 -109 -447 O +HETATM 1493 O HOH A 477 7.404 29.409 -16.117 0.50 34.19 O +ANISOU 1493 O HOH A 477 5383 4472 3134 -2058 -1271 1428 O +HETATM 1494 O HOH A 478 5.493 30.816 -10.792 0.50 40.83 O +ANISOU 1494 O HOH A 478 5330 4816 5368 -27 -1321 -894 O +HETATM 1495 O HOH A 479 26.326 10.591 1.590 0.50 39.43 O +ANISOU 1495 O HOH A 479 4400 5658 4923 1375 -1102 438 O +HETATM 1496 O HOH A 480 -3.492 36.584 6.977 0.50 40.20 O +ANISOU 1496 O HOH A 480 5808 4930 4538 -1354 -1911 474 O +HETATM 1497 O HOH A 481 -12.927 22.051 3.603 0.50 29.57 O +ANISOU 1497 O HOH A 481 3194 3723 4318 -114 156 -306 O +HETATM 1498 O HOH A 482 29.899 22.543 -6.137 0.50 55.10 O +ANISOU 1498 O HOH A 482 7226 7407 6304 -846 1284 84 O +HETATM 1499 O HOH A 483 -0.003 33.573 6.109 0.50 43.12 O +ANISOU 1499 O HOH A 483 4137 5059 7187 1770 -339 77 O +HETATM 1500 O BHOH A 484 6.842 10.549 5.949 0.50 16.81 O +ANISOU 1500 O BHOH A 484 1582 2609 2198 285 188 -884 O +HETATM 1501 O HOH A 485 22.465 15.016 -2.377 0.50 30.68 O +ANISOU 1501 O HOH A 485 3011 4102 4544 933 -1185 456 O +MASTER 283 0 0 7 5 0 0 6 1283 1 0 10 +END diff --git a/tracking/data/3LUB.cif b/tracking/data/3LUB.cif new file mode 100644 index 000000000..f294663b2 --- /dev/null +++ b/tracking/data/3LUB.cif @@ -0,0 +1,34029 @@ +data_3LUB +# +_entry.id 3LUB +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 4.007 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +PDB 3LUB +RCSB RCSB057739 +# +_database_PDB_rev.num 1 +_database_PDB_rev.date 2010-03-09 +_database_PDB_rev.date_original 2010-02-17 +_database_PDB_rev.mod_type 0 +_database_PDB_rev.replaces 3LUB +_database_PDB_rev.status ? +# +_pdbx_database_related.db_name TargetDB +_pdbx_database_related.db_id 398858 +_pdbx_database_related.details . +_pdbx_database_related.content_type unspecified +# +_pdbx_database_status.SG_entry Y +_pdbx_database_status.entry_id 3LUB +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +# +_audit_author.name 'Joint Center for Structural Genomics (JCSG)' +_audit_author.pdbx_ordinal 1 +# +_citation.id primary +_citation.title +'Crystal structure of Putative creatinine amidohydrolase (YP_211512.1) from Bacteroides fragilis NCTC 9343 at 2.11 A resolution' +_citation.journal_abbrev 'To be published' +_citation.journal_volume ? +_citation.page_first ? +_citation.page_last ? +_citation.year ? +_citation.journal_id_ASTM ? +_citation.country ? +_citation.journal_id_ISSN ? +_citation.journal_id_CSD 0353 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed ? +_citation.pdbx_database_id_DOI ? +# +_citation_author.citation_id primary +_citation_author.name 'Joint Center for Structural Genomics (JCSG)' +_citation_author.ordinal 1 +# +_cell.entry_id 3LUB +_cell.length_a 55.906 +_cell.length_b 156.790 +_cell.length_c 170.161 +_cell.angle_alpha 90.000 +_cell.angle_beta 95.290 +_cell.angle_gamma 90.000 +_cell.pdbx_unique_axis ? +_cell.Z_PDB 24 +_cell.length_a_esd ? +_cell.length_b_esd ? +_cell.length_c_esd ? +_cell.angle_alpha_esd ? +_cell.angle_beta_esd ? +_cell.angle_gamma_esd ? +# +_symmetry.entry_id 3LUB +_symmetry.Int_Tables_number 3 +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.space_group_name_Hall ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.details +1 polymer man 'Putative creatinine amidohydrolase' 28538.689 12 ? +2 non-polymer syn 'ZINC ION' 65.380 24 ? +3 non-polymer syn 'CALCIUM ION' 40.080 12 ? +4 non-polymer syn 'CHLORIDE ION' 35.453 13 ? +5 non-polymer syn 1,2-ETHANEDIOL 62.068 11 ? +6 water nat water 18.015 2222 ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer yes +_entity_poly.pdbx_seq_one_letter_code +;G(MSE)NKEVDLSVSCLGKVKELKYDVIILPWGATEPHNLHLPYLTDCILPHDIAVEAAELALSRSGVRC(MSE)V +(MSE)PPVPFGAHNPGQRELPFCIHTRYATQQAILEDIVSSLHVQGFRKLLILSGHGGNNFKG(MSE)IRDLAFEYPDFL +IAAANWFEVVSPKGYFEAEIDDHAGESETSV(MSE)(MSE)HYHPELVNLAEAGDGESKPFAIASLNEKVAWVPRHWDKA +TVDSGVGNPKKATAEKGERYVKPIVEKLAGLFEE(MSE)AQHDLYE +; +_entity_poly.pdbx_seq_one_letter_code_can +;GMNKEVDLSVSCLGKVKELKYDVIILPWGATEPHNLHLPYLTDCILPHDIAVEAAELALSRSGVRCMVMPPVPFGAHNPG +QRELPFCIHTRYATQQAILEDIVSSLHVQGFRKLLILSGHGGNNFKGMIRDLAFEYPDFLIAAANWFEVVSPKGYFEAEI +DDHAGESETSVMMHYHPELVNLAEAGDGESKPFAIASLNEKVAWVPRHWDKATVDSGVGNPKKATAEKGERYVKPIVEKL +AGLFEEMAQHDLYE +; +_entity_poly.pdbx_strand_id A,B,C,D,E,F,G,H,I,J,K,L +_entity_poly.pdbx_target_identifier 398858 +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLY n +1 2 MSE n +1 3 ASN n +1 4 LYS n +1 5 GLU n +1 6 VAL n +1 7 ASP n +1 8 LEU n +1 9 SER n +1 10 VAL n +1 11 SER n +1 12 CYS n +1 13 LEU n +1 14 GLY n +1 15 LYS n +1 16 VAL n +1 17 LYS n +1 18 GLU n +1 19 LEU n +1 20 LYS n +1 21 TYR n +1 22 ASP n +1 23 VAL n +1 24 ILE n +1 25 ILE n +1 26 LEU n +1 27 PRO n +1 28 TRP n +1 29 GLY n +1 30 ALA n +1 31 THR n +1 32 GLU n +1 33 PRO n +1 34 HIS n +1 35 ASN n +1 36 LEU n +1 37 HIS n +1 38 LEU n +1 39 PRO n +1 40 TYR n +1 41 LEU n +1 42 THR n +1 43 ASP n +1 44 CYS n +1 45 ILE n +1 46 LEU n +1 47 PRO n +1 48 HIS n +1 49 ASP n +1 50 ILE n +1 51 ALA n +1 52 VAL n +1 53 GLU n +1 54 ALA n +1 55 ALA n +1 56 GLU n +1 57 LEU n +1 58 ALA n +1 59 LEU n +1 60 SER n +1 61 ARG n +1 62 SER n +1 63 GLY n +1 64 VAL n +1 65 ARG n +1 66 CYS n +1 67 MSE n +1 68 VAL n +1 69 MSE n +1 70 PRO n +1 71 PRO n +1 72 VAL n +1 73 PRO n +1 74 PHE n +1 75 GLY n +1 76 ALA n +1 77 HIS n +1 78 ASN n +1 79 PRO n +1 80 GLY n +1 81 GLN n +1 82 ARG n +1 83 GLU n +1 84 LEU n +1 85 PRO n +1 86 PHE n +1 87 CYS n +1 88 ILE n +1 89 HIS n +1 90 THR n +1 91 ARG n +1 92 TYR n +1 93 ALA n +1 94 THR n +1 95 GLN n +1 96 GLN n +1 97 ALA n +1 98 ILE n +1 99 LEU n +1 100 GLU n +1 101 ASP n +1 102 ILE n +1 103 VAL n +1 104 SER n +1 105 SER n +1 106 LEU n +1 107 HIS n +1 108 VAL n +1 109 GLN n +1 110 GLY n +1 111 PHE n +1 112 ARG n +1 113 LYS n +1 114 LEU n +1 115 LEU n +1 116 ILE n +1 117 LEU n +1 118 SER n +1 119 GLY n +1 120 HIS n +1 121 GLY n +1 122 GLY n +1 123 ASN n +1 124 ASN n +1 125 PHE n +1 126 LYS n +1 127 GLY n +1 128 MSE n +1 129 ILE n +1 130 ARG n +1 131 ASP n +1 132 LEU n +1 133 ALA n +1 134 PHE n +1 135 GLU n +1 136 TYR n +1 137 PRO n +1 138 ASP n +1 139 PHE n +1 140 LEU n +1 141 ILE n +1 142 ALA n +1 143 ALA n +1 144 ALA n +1 145 ASN n +1 146 TRP n +1 147 PHE n +1 148 GLU n +1 149 VAL n +1 150 VAL n +1 151 SER n +1 152 PRO n +1 153 LYS n +1 154 GLY n +1 155 TYR n +1 156 PHE n +1 157 GLU n +1 158 ALA n +1 159 GLU n +1 160 ILE n +1 161 ASP n +1 162 ASP n +1 163 HIS n +1 164 ALA n +1 165 GLY n +1 166 GLU n +1 167 SER n +1 168 GLU n +1 169 THR n +1 170 SER n +1 171 VAL n +1 172 MSE n +1 173 MSE n +1 174 HIS n +1 175 TYR n +1 176 HIS n +1 177 PRO n +1 178 GLU n +1 179 LEU n +1 180 VAL n +1 181 ASN n +1 182 LEU n +1 183 ALA n +1 184 GLU n +1 185 ALA n +1 186 GLY n +1 187 ASP n +1 188 GLY n +1 189 GLU n +1 190 SER n +1 191 LYS n +1 192 PRO n +1 193 PHE n +1 194 ALA n +1 195 ILE n +1 196 ALA n +1 197 SER n +1 198 LEU n +1 199 ASN n +1 200 GLU n +1 201 LYS n +1 202 VAL n +1 203 ALA n +1 204 TRP n +1 205 VAL n +1 206 PRO n +1 207 ARG n +1 208 HIS n +1 209 TRP n +1 210 ASP n +1 211 LYS n +1 212 ALA n +1 213 THR n +1 214 VAL n +1 215 ASP n +1 216 SER n +1 217 GLY n +1 218 VAL n +1 219 GLY n +1 220 ASN n +1 221 PRO n +1 222 LYS n +1 223 LYS n +1 224 ALA n +1 225 THR n +1 226 ALA n +1 227 GLU n +1 228 LYS n +1 229 GLY n +1 230 GLU n +1 231 ARG n +1 232 TYR n +1 233 VAL n +1 234 LYS n +1 235 PRO n +1 236 ILE n +1 237 VAL n +1 238 GLU n +1 239 LYS n +1 240 LEU n +1 241 ALA n +1 242 GLY n +1 243 LEU n +1 244 PHE n +1 245 GLU n +1 246 GLU n +1 247 MSE n +1 248 ALA n +1 249 GLN n +1 250 HIS n +1 251 ASP n +1 252 LEU n +1 253 TYR n +1 254 GLU n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.gene_src_common_name ? +_entity_src_gen.gene_src_genus ? +_entity_src_gen.pdbx_gene_src_gene BF1877 +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain 'ATCC 25285 / NCTC 9343' +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Bacteroides fragilis' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 272559 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 +_entity_src_gen.host_org_genus ? +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain HK100 +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type Plasmid +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.plasmid_name SpeedET +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code Q5LE76_BACFN +_struct_ref.pdbx_db_accession Q5LE76 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code +;MNKEVDLSVSCLGKVKELKYDVIILPWGATEPHNLHLPYLTDCILPHDIAVEAAELALSR +SGVRCMVMPPVPFGAHNPGQRELPFCIHTRYATQQAILEDIVSSLHVQGFRKLLILSGHG +GNNFKGMIRDLAFEYPDFLIAAANWFEVVSPKGYFEAEIDDHAGESETSVMMHYHPELVN +LAEAGDGESKPFAIASLNEKVAWVPRHWDKATVDSGVGNPKKATAEKGERYVKPIVEKLA +GLFEEMAQHDLYE +; +_struct_ref.pdbx_align_begin 1 +_struct_ref.biol_id . +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 3LUB A 2 ? 254 ? Q5LE76 1 253 1 253 +2 1 3LUB B 2 ? 254 ? Q5LE76 1 253 1 253 +3 1 3LUB C 2 ? 254 ? Q5LE76 1 253 1 253 +4 1 3LUB D 2 ? 254 ? Q5LE76 1 253 1 253 +5 1 3LUB E 2 ? 254 ? Q5LE76 1 253 1 253 +6 1 3LUB F 2 ? 254 ? Q5LE76 1 253 1 253 +7 1 3LUB G 2 ? 254 ? Q5LE76 1 253 1 253 +8 1 3LUB H 2 ? 254 ? Q5LE76 1 253 1 253 +9 1 3LUB I 2 ? 254 ? Q5LE76 1 253 1 253 +10 1 3LUB J 2 ? 254 ? Q5LE76 1 253 1 253 +11 1 3LUB K 2 ? 254 ? Q5LE76 1 253 1 253 +12 1 3LUB L 2 ? 254 ? Q5LE76 1 253 1 253 +# +loop_ +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_pdb_ins_code +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +_struct_ref_seq_dif.pdbx_ordinal +1 3LUB GLY A 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 1 +2 3LUB GLY B 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 2 +3 3LUB GLY C 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 3 +4 3LUB GLY D 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 4 +5 3LUB GLY E 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 5 +6 3LUB GLY F 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 6 +7 3LUB GLY G 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 7 +8 3LUB GLY H 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 8 +9 3LUB GLY I 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 9 +10 3LUB GLY J 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 10 +11 3LUB GLY K 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 11 +12 3LUB GLY L 1 ? UNP Q5LE76 ? ? 'leader sequence' 0 12 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +MSE 'L-peptide linking' n SELENOMETHIONINE ? 'C5 H11 N O2 SE' 196.107 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.197 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.130 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.147 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.104 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.174 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.154 +GLY 'PEPTIDE LINKING' y GLYCINE ? 'C2 H5 N O2' 75.067 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.174 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.132 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.228 +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.094 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.120 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.164 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.210 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.191 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 +ZN NON-POLYMER . 'ZINC ION' ? 'ZN 2' 65.380 +CA NON-POLYMER . 'CALCIUM ION' ? 'CA 2' 40.080 +CL NON-POLYMER . 'CHLORIDE ION' ? 'CL -1' 35.453 +EDO NON-POLYMER . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 +HOH NON-POLYMER . WATER ? 'H2 O' 18.015 +# +_exptl.crystals_number 1 +_exptl.method 'X-RAY DIFFRACTION' +_exptl.entry_id 3LUB +# +_exptl_crystal.id 1 +_exptl_crystal.density_Matthews 2.17 +_exptl_crystal.density_meas ? +_exptl_crystal.density_percent_sol 43.28 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' +_exptl_crystal_grow.pH 7.3 +_exptl_crystal_grow.temp 277 +_exptl_crystal_grow.pdbx_details +'0.2000M CaAcetate, 20.0000% PEG-3350, No Buffer pH 7.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K' +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pdbx_pH_range ? +# +loop_ +_diffrn.id +_diffrn.ambient_temp +_diffrn.ambient_temp_details +_diffrn.crystal_id +1 100 ? 1 +2 ? ? 1 +3 ? ? 1 +4 ? ? 1 +5 ? ? 1 +6 ? ? 1 +7 ? ? 1 +8 ? ? 1 +9 ? ? 1 +10 ? ? 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type 'MARMOSAIC 325 mm CCD' +_diffrn_detector.details 'Flat collimating mirror, toroid focusing mirror' +_diffrn_detector.pdbx_collection_date 2009-07-31 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator 'Double crystal monochromator' +_diffrn_radiation.pdbx_diffrn_protocol 'single wavelength' +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.97911 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.pdbx_synchrotron_beamline BL9-2 +_diffrn_source.type 'SSRL BEAMLINE BL9-2' +_diffrn_source.pdbx_wavelength 0.97911 +_diffrn_source.pdbx_wavelength_list ? +_diffrn_source.pdbx_synchrotron_site SSRL +# +_reflns.entry_id 3LUB +_reflns.d_resolution_high 2.11 +_reflns.d_resolution_low 43.033 +_reflns.number_obs 167009 +_reflns.pdbx_Rmerge_I_obs 0.122 +_reflns.pdbx_netI_over_sigmaI 8.250 +_reflns.percent_possible_obs 99.800 +_reflns.B_iso_Wilson_estimate 25.198 +_reflns.observed_criterion_sigma_I -3.00 +_reflns.observed_criterion_sigma_F ? +_reflns.number_all ? +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_redundancy 3.8 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_ordinal 1 +_reflns.pdbx_diffrn_id 1 +# +loop_ +_reflns_shell.d_res_high +_reflns_shell.d_res_low +_reflns_shell.number_measured_obs +_reflns_shell.number_measured_all +_reflns_shell.number_unique_obs +_reflns_shell.Rmerge_I_obs +_reflns_shell.meanI_over_sigI_obs +_reflns_shell.pdbx_Rsym_value +_reflns_shell.pdbx_chi_squared +_reflns_shell.pdbx_redundancy +_reflns_shell.percent_possible_obs +_reflns_shell.number_unique_all +_reflns_shell.percent_possible_all +_reflns_shell.pdbx_ordinal +_reflns_shell.pdbx_diffrn_id +2.11 2.19 66321 ? 17620 0.597 2.1 ? ? ? ? ? 99.90 1 1 +2.19 2.27 57277 ? 15211 0.491 2.6 ? ? ? ? ? 99.90 2 2 +2.27 2.38 66723 ? 17682 0.400 3.2 ? ? ? ? ? 99.90 3 3 +2.38 2.50 60374 ? 15935 0.324 3.8 ? ? ? ? ? 99.90 4 4 +2.50 2.66 64875 ? 17112 0.255 4.8 ? ? ? ? ? 99.90 5 5 +2.66 2.86 61517 ? 16213 0.194 6.3 ? ? ? ? ? 99.90 6 6 +2.86 3.15 64080 ? 16877 0.133 8.8 ? ? ? ? ? 99.90 7 7 +3.15 3.60 62682 ? 16533 0.081 13.2 ? ? ? ? ? 99.70 8 8 +3.60 4.53 63478 ? 16763 0.056 18.1 ? ? ? ? ? 99.60 9 9 +4.53 43.033 63570 ? 17041 0.059 19.4 ? ? ? ? ? 99.50 10 10 +# +_computing.entry_id 3LUB +_computing.pdbx_data_reduction_ii XDS +_computing.pdbx_data_reduction_ds XSCALE +_computing.data_collection ? +_computing.structure_solution 'SHELXD, AUTOSHARP' +_computing.structure_refinement 'REFMAC 5.2.0019' +_computing.pdbx_structure_refinement_method ? +# +_refine.entry_id 3LUB +_refine.ls_d_res_high 2.110 +_refine.ls_d_res_low 43.033 +_refine.pdbx_ls_sigma_F 0.00 +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_percent_reflns_obs 99.830 +_refine.ls_number_reflns_obs 166973 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_R_Free_selection_details 'THIN SHELLS' +_refine.details +;1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. +2. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE +INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY +OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 +FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET +INCORPORATION. +3. DI-METALS (ZINC) AT ACTIVE SITES WERE +CONFIRMED WITH X-RAY FLUORESCENE SPECTROSCOPY, +ANOMALOUS DIFFERENCE FOURIERS AND COORDINATION GEOMETRY. +4.CALCIUM (CA), ETHYLENE GLYCOL (EDO) +AND CHLORIDE (CL) MODELED WERE PRESENT +IN CRYSTLLIZATION/CRYO CONDITIONS. +5. DUE TO THE THIN-SHELL SELECTION METHOD, THE HIGHEST +SHELL DID NOT CONTAIN ANY FREE REFLECTIONS. THE 1137 +REFLECTIONS IN THE SHELL 2.20-2.21 A HAD AN R-FREE OF +0.26. +; +_refine.ls_R_factor_all ? +_refine.ls_R_factor_obs 0.153 +_refine.ls_R_factor_R_work 0.151 +_refine.ls_wR_factor_R_work ? +_refine.ls_R_factor_R_free 0.193 +_refine.ls_wR_factor_R_free ? +_refine.ls_percent_reflns_R_free 5.200 +_refine.ls_number_reflns_R_free 8604 +_refine.ls_R_factor_R_free_error ? +_refine.B_iso_mean 25.450 +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.pdbx_isotropic_thermal_model ? +_refine.aniso_B[1][1] 1.720 +_refine.aniso_B[2][2] -0.330 +_refine.aniso_B[3][3] -1.320 +_refine.aniso_B[1][2] 0.000 +_refine.aniso_B[1][3] 0.310 +_refine.aniso_B[2][3] 0.000 +_refine.correlation_coeff_Fo_to_Fc 0.968 +_refine.correlation_coeff_Fo_to_Fc_free 0.946 +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.pdbx_overall_ESU_R 0.227 +_refine.pdbx_overall_ESU_R_Free 0.169 +_refine.overall_SU_ML 0.122 +_refine.overall_SU_B 4.695 +_refine.solvent_model_details MASK +_refine.pdbx_solvent_vdw_probe_radii 1.200 +_refine.pdbx_solvent_ion_probe_radii 0.800 +_refine.pdbx_solvent_shrinkage_radii 0.800 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.pdbx_method_to_determine_struct SAD +_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD WITH PHASES' +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.overall_FOM_work_R_set ? +_refine.B_iso_max 77.31 +_refine.B_iso_min 7.50 +_refine.occupancy_max 1.00 +_refine.occupancy_min 0.50 +_refine.pdbx_ls_sigma_I ? +_refine.ls_redundancy_reflns_obs ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_starting_model ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.overall_FOM_free_R_set ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 23704 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 93 +_refine_hist.number_atoms_solvent 2222 +_refine_hist.number_atoms_total 26019 +_refine_hist.d_res_high 2.110 +_refine_hist.d_res_low 43.033 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.number +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +r_bond_refined_d 'X-RAY DIFFRACTION' 24540 0.016 0.022 ? +r_bond_other_d 'X-RAY DIFFRACTION' 16448 0.001 0.020 ? +r_angle_refined_deg 'X-RAY DIFFRACTION' 33372 1.416 1.959 ? +r_angle_other_deg 'X-RAY DIFFRACTION' 40308 0.955 3.000 ? +r_dihedral_angle_1_deg 'X-RAY DIFFRACTION' 3079 5.912 5.000 ? +r_dihedral_angle_2_deg 'X-RAY DIFFRACTION' 1107 32.198 24.562 ? +r_dihedral_angle_3_deg 'X-RAY DIFFRACTION' 4011 13.078 15.000 ? +r_dihedral_angle_4_deg 'X-RAY DIFFRACTION' 97 11.312 15.000 ? +r_chiral_restr 'X-RAY DIFFRACTION' 3623 0.086 0.200 ? +r_gen_planes_refined 'X-RAY DIFFRACTION' 27463 0.005 0.020 ? +r_gen_planes_other 'X-RAY DIFFRACTION' 4762 0.001 0.020 ? +r_nbd_refined 'X-RAY DIFFRACTION' 4827 0.193 0.200 ? +r_nbd_other 'X-RAY DIFFRACTION' 16880 0.188 0.200 ? +r_nbtor_refined 'X-RAY DIFFRACTION' 11500 0.175 0.200 ? +r_nbtor_other 'X-RAY DIFFRACTION' 11768 0.085 0.200 ? +r_xyhbond_nbd_refined 'X-RAY DIFFRACTION' 1726 0.163 0.200 ? +r_xyhbond_nbd_other 'X-RAY DIFFRACTION' 1 0.004 0.200 ? +r_metal_ion_refined 'X-RAY DIFFRACTION' 42 0.100 0.200 ? +r_symmetry_vdw_refined 'X-RAY DIFFRACTION' 28 0.209 0.200 ? +r_symmetry_vdw_other 'X-RAY DIFFRACTION' 55 0.202 0.200 ? +r_symmetry_hbond_refined 'X-RAY DIFFRACTION' 32 0.165 0.200 ? +r_mcbond_it 'X-RAY DIFFRACTION' 16045 1.631 3.000 ? +r_mcbond_other 'X-RAY DIFFRACTION' 6118 0.230 3.000 ? +r_mcangle_it 'X-RAY DIFFRACTION' 24564 2.242 5.000 ? +r_scbond_it 'X-RAY DIFFRACTION' 10145 4.250 8.000 ? +r_scangle_it 'X-RAY DIFFRACTION' 8782 5.691 11.000 ? +# +loop_ +_refine_ls_restr_ncs.pdbx_refine_id +_refine_ls_restr_ncs.pdbx_ens_id +_refine_ls_restr_ncs.dom_id +_refine_ls_restr_ncs.pdbx_type +_refine_ls_restr_ncs.pdbx_auth_asym_id +_refine_ls_restr_ncs.pdbx_number +_refine_ls_restr_ncs.rms_dev_position +_refine_ls_restr_ncs.weight_position +_refine_ls_restr_ncs.pdbx_ordinal +'X-RAY DIFFRACTION' 1 1 'TIGHT POSITIONAL' A 1442 0.110 0.150 1 +'X-RAY DIFFRACTION' 1 2 'TIGHT POSITIONAL' B 1442 0.120 0.150 2 +'X-RAY DIFFRACTION' 1 3 'TIGHT POSITIONAL' C 1442 0.120 0.150 3 +'X-RAY DIFFRACTION' 1 4 'TIGHT POSITIONAL' D 1442 0.150 0.150 4 +'X-RAY DIFFRACTION' 1 5 'TIGHT POSITIONAL' E 1442 0.130 0.150 5 +'X-RAY DIFFRACTION' 1 6 'TIGHT POSITIONAL' F 1442 0.120 0.150 6 +'X-RAY DIFFRACTION' 1 7 'TIGHT POSITIONAL' G 1442 0.110 0.150 7 +'X-RAY DIFFRACTION' 1 8 'TIGHT POSITIONAL' H 1442 0.140 0.150 8 +'X-RAY DIFFRACTION' 1 9 'TIGHT POSITIONAL' I 1442 0.100 0.150 9 +'X-RAY DIFFRACTION' 1 10 'TIGHT POSITIONAL' J 1442 0.120 0.150 10 +'X-RAY DIFFRACTION' 1 11 'TIGHT POSITIONAL' K 1442 0.110 0.150 11 +'X-RAY DIFFRACTION' 1 12 'TIGHT POSITIONAL' L 1442 0.130 0.150 12 +'X-RAY DIFFRACTION' 1 1 'MEDIUM POSITIONAL' A 1695 0.230 0.600 13 +'X-RAY DIFFRACTION' 1 2 'MEDIUM POSITIONAL' B 1695 0.320 0.600 14 +'X-RAY DIFFRACTION' 1 3 'MEDIUM POSITIONAL' C 1695 0.310 0.600 15 +'X-RAY DIFFRACTION' 1 4 'MEDIUM POSITIONAL' D 1695 0.350 0.600 16 +'X-RAY DIFFRACTION' 1 5 'MEDIUM POSITIONAL' E 1695 0.300 0.600 17 +'X-RAY DIFFRACTION' 1 6 'MEDIUM POSITIONAL' F 1695 0.270 0.600 18 +'X-RAY DIFFRACTION' 1 7 'MEDIUM POSITIONAL' G 1695 0.260 0.600 19 +'X-RAY DIFFRACTION' 1 8 'MEDIUM POSITIONAL' H 1695 0.280 0.600 20 +'X-RAY DIFFRACTION' 1 9 'MEDIUM POSITIONAL' I 1695 0.260 0.600 21 +'X-RAY DIFFRACTION' 1 10 'MEDIUM POSITIONAL' J 1695 0.280 0.600 22 +'X-RAY DIFFRACTION' 1 11 'MEDIUM POSITIONAL' K 1695 0.330 0.600 23 +'X-RAY DIFFRACTION' 1 12 'MEDIUM POSITIONAL' L 1695 0.290 0.600 24 +'X-RAY DIFFRACTION' 1 1 'TIGHT THERMAL' A 1442 0.170 0.500 25 +'X-RAY DIFFRACTION' 1 2 'TIGHT THERMAL' B 1442 0.170 0.500 26 +'X-RAY DIFFRACTION' 1 3 'TIGHT THERMAL' C 1442 0.160 0.500 27 +'X-RAY DIFFRACTION' 1 4 'TIGHT THERMAL' D 1442 0.190 0.500 28 +'X-RAY DIFFRACTION' 1 5 'TIGHT THERMAL' E 1442 0.160 0.500 29 +'X-RAY DIFFRACTION' 1 6 'TIGHT THERMAL' F 1442 0.160 0.500 30 +'X-RAY DIFFRACTION' 1 7 'TIGHT THERMAL' G 1442 0.160 0.500 31 +'X-RAY DIFFRACTION' 1 8 'TIGHT THERMAL' H 1442 0.180 0.500 32 +'X-RAY DIFFRACTION' 1 9 'TIGHT THERMAL' I 1442 0.160 0.500 33 +'X-RAY DIFFRACTION' 1 10 'TIGHT THERMAL' J 1442 0.160 0.500 34 +'X-RAY DIFFRACTION' 1 11 'TIGHT THERMAL' K 1442 0.180 0.500 35 +'X-RAY DIFFRACTION' 1 12 'TIGHT THERMAL' L 1442 0.170 0.500 36 +'X-RAY DIFFRACTION' 1 1 'MEDIUM THERMAL' A 1695 1.050 2.000 37 +'X-RAY DIFFRACTION' 1 2 'MEDIUM THERMAL' B 1695 1.050 2.000 38 +'X-RAY DIFFRACTION' 1 3 'MEDIUM THERMAL' C 1695 1.060 2.000 39 +'X-RAY DIFFRACTION' 1 4 'MEDIUM THERMAL' D 1695 1.140 2.000 40 +'X-RAY DIFFRACTION' 1 5 'MEDIUM THERMAL' E 1695 1.070 2.000 41 +'X-RAY DIFFRACTION' 1 6 'MEDIUM THERMAL' F 1695 0.990 2.000 42 +'X-RAY DIFFRACTION' 1 7 'MEDIUM THERMAL' G 1695 1.060 2.000 43 +'X-RAY DIFFRACTION' 1 8 'MEDIUM THERMAL' H 1695 1.090 2.000 44 +'X-RAY DIFFRACTION' 1 9 'MEDIUM THERMAL' I 1695 1.030 2.000 45 +'X-RAY DIFFRACTION' 1 10 'MEDIUM THERMAL' J 1695 0.960 2.000 46 +'X-RAY DIFFRACTION' 1 11 'MEDIUM THERMAL' K 1695 1.130 2.000 47 +'X-RAY DIFFRACTION' 1 12 'MEDIUM THERMAL' L 1695 1.080 2.000 48 +# +_refine_ls_shell.d_res_high 2.110 +_refine_ls_shell.d_res_low 2.165 +_refine_ls_shell.pdbx_total_number_of_bins_used 20 +_refine_ls_shell.percent_reflns_obs 99.910 +_refine_ls_shell.number_reflns_R_work 12400 +_refine_ls_shell.R_factor_all ? +_refine_ls_shell.R_factor_R_work 0.208 +_refine_ls_shell.R_factor_R_free ? +_refine_ls_shell.percent_reflns_R_free ? +_refine_ls_shell.number_reflns_R_free ? +_refine_ls_shell.R_factor_R_free_error ? +_refine_ls_shell.number_reflns_all ? +_refine_ls_shell.number_reflns_obs ? +_refine_ls_shell.redundancy_reflns_obs ? +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +# +loop_ +_struct_ncs_dom.pdbx_ens_id +_struct_ncs_dom.id +_struct_ncs_dom.details +1 1 A +1 2 B +1 3 C +1 4 D +1 5 E +1 6 F +1 7 G +1 8 H +1 9 I +1 10 J +1 11 K +1 12 L +# +loop_ +_struct_ncs_dom_lim.pdbx_ens_id +_struct_ncs_dom_lim.dom_id +_struct_ncs_dom_lim.pdbx_component_id +_struct_ncs_dom_lim.pdbx_refine_code +_struct_ncs_dom_lim.beg_auth_asym_id +_struct_ncs_dom_lim.beg_auth_seq_id +_struct_ncs_dom_lim.end_auth_asym_id +_struct_ncs_dom_lim.end_auth_seq_id +_struct_ncs_dom_lim.selection_details +_struct_ncs_dom_lim.beg_label_asym_id +_struct_ncs_dom_lim.beg_label_comp_id +_struct_ncs_dom_lim.beg_label_seq_id +_struct_ncs_dom_lim.beg_label_alt_id +_struct_ncs_dom_lim.end_label_asym_id +_struct_ncs_dom_lim.end_label_comp_id +_struct_ncs_dom_lim.end_label_seq_id +_struct_ncs_dom_lim.end_label_alt_id +1 1 1 2 A 1 A 253 ? . . . . . . . . +1 2 1 2 B 1 B 253 ? . . . . . . . . +1 3 1 2 C 1 C 253 ? . . . . . . . . +1 4 1 2 D 1 D 253 ? . . . . . . . . +1 5 1 2 E 1 E 253 ? . . . . . . . . +1 6 1 2 F 1 F 253 ? . . . . . . . . +1 7 1 2 G 1 G 253 ? . . . . . . . . +1 8 1 2 H 1 H 253 ? . . . . . . . . +1 9 1 2 I 1 I 253 ? . . . . . . . . +1 10 1 2 J 1 J 253 ? . . . . . . . . +1 11 1 2 K 1 K 253 ? . . . . . . . . +1 12 1 2 L 1 L 253 ? . . . . . . . . +# +_struct_ncs_ens.id 1 +_struct_ncs_ens.details ? +# +_struct.entry_id 3LUB +_struct.title +'Crystal structure of Putative creatinine amidohydrolase (YP_211512.1) from Bacteroides fragilis NCTC 9343 at 2.11 A resolution' +_struct.pdbx_descriptor 'Putative creatinine amidohydrolase' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.text +;Putative creatinine amidohydrolase, Structural Genomics, Joint Center for Structural Genomics, JCSG, Protein Structure Initiative, PSI-2, HYDROLASE +; +_struct_keywords.pdbx_keywords HYDROLASE +_struct_keywords.entry_id 3LUB +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 1 ? +C N N 1 ? +D N N 1 ? +E N N 1 ? +F N N 1 ? +G N N 1 ? +H N N 1 ? +I N N 1 ? +J N N 1 ? +K N N 1 ? +L N N 1 ? +M N N 2 ? +N N N 2 ? +O N N 3 ? +P N N 4 ? +Q N N 2 ? +R N N 2 ? +S N N 5 ? +T N N 4 ? +U N N 2 ? +V N N 2 ? +W N N 3 ? +X N N 5 ? +Y N N 5 ? +Z N N 4 ? +AA N N 2 ? +BA N N 2 ? +CA N N 3 ? +DA N N 3 ? +EA N N 5 ? +FA N N 5 ? +GA N N 4 ? +HA N N 2 ? +IA N N 2 ? +JA N N 3 ? +KA N N 3 ? +LA N N 5 ? +MA N N 4 ? +NA N N 4 ? +OA N N 2 ? +PA N N 2 ? +QA N N 3 ? +RA N N 4 ? +SA N N 2 ? +TA N N 2 ? +UA N N 3 ? +VA N N 5 ? +WA N N 4 ? +XA N N 2 ? +YA N N 2 ? +ZA N N 4 ? +AB N N 2 ? +BB N N 2 ? +CB N N 3 ? +DB N N 3 ? +EB N N 4 ? +FB N N 2 ? +GB N N 2 ? +HB N N 3 ? +IB N N 5 ? +JB N N 4 ? +KB N N 2 ? +LB N N 2 ? +MB N N 5 ? +NB N N 5 ? +OB N N 4 ? +PB N N 2 ? +QB N N 2 ? +RB N N 3 ? +SB N N 5 ? +TB N N 4 ? +UB N N 6 ? +VB N N 6 ? +WB N N 6 ? +XB N N 6 ? +YB N N 6 ? +ZB N N 6 ? +AC N N 6 ? +BC N N 6 ? +CC N N 6 ? +DC N N 6 ? +EC N N 6 ? +FC N N 6 ? +# +_struct_biol.id 1 +_struct_biol.details ? +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 CYS A 12 ? LYS A 17 ? CYS A 11 LYS A 16 1 ? 6 +HELX_P HELX_P2 2 LEU A 41 ? GLY A 63 ? LEU A 40 GLY A 62 1 ? 23 +HELX_P HELX_P3 3 ARG A 91 ? GLN A 109 ? ARG A 90 GLN A 108 1 ? 19 +HELX_P HELX_P4 4 PHE A 125 ? TYR A 136 ? PHE A 124 TYR A 135 1 ? 12 +HELX_P HELX_P5 5 PHE A 147 ? VAL A 149 ? PHE A 146 VAL A 148 5 ? 3 +HELX_P HELX_P6 6 GLY A 165 ? HIS A 176 ? GLY A 164 HIS A 175 1 ? 12 +HELX_P HELX_P7 7 PRO A 177 ? VAL A 180 ? PRO A 176 VAL A 179 5 ? 4 +HELX_P HELX_P8 8 ASN A 181 ? ALA A 185 ? ASN A 180 ALA A 184 5 ? 5 +HELX_P HELX_P9 9 ILE A 195 ? GLU A 200 ? ILE A 194 GLU A 199 1 ? 6 +HELX_P HELX_P10 10 HIS A 208 ? THR A 213 ? HIS A 207 THR A 212 1 ? 6 +HELX_P HELX_P11 11 THR A 225 ? HIS A 250 ? THR A 224 HIS A 249 1 ? 26 +HELX_P HELX_P12 12 CYS B 12 ? LYS B 17 ? CYS B 11 LYS B 16 1 ? 6 +HELX_P HELX_P13 13 LEU B 41 ? GLY B 63 ? LEU B 40 GLY B 62 1 ? 23 +HELX_P HELX_P14 14 ARG B 91 ? GLN B 109 ? ARG B 90 GLN B 108 1 ? 19 +HELX_P HELX_P15 15 PHE B 125 ? TYR B 136 ? PHE B 124 TYR B 135 1 ? 12 +HELX_P HELX_P16 16 PHE B 147 ? VAL B 149 ? PHE B 146 VAL B 148 5 ? 3 +HELX_P HELX_P17 17 GLY B 165 ? HIS B 176 ? GLY B 164 HIS B 175 1 ? 12 +HELX_P HELX_P18 18 PRO B 177 ? VAL B 180 ? PRO B 176 VAL B 179 5 ? 4 +HELX_P HELX_P19 19 ASN B 181 ? ALA B 185 ? ASN B 180 ALA B 184 5 ? 5 +HELX_P HELX_P20 20 ILE B 195 ? GLU B 200 ? ILE B 194 GLU B 199 1 ? 6 +HELX_P HELX_P21 21 HIS B 208 ? THR B 213 ? HIS B 207 THR B 212 1 ? 6 +HELX_P HELX_P22 22 THR B 225 ? HIS B 250 ? THR B 224 HIS B 249 1 ? 26 +HELX_P HELX_P23 23 CYS C 12 ? LYS C 17 ? CYS C 11 LYS C 16 1 ? 6 +HELX_P HELX_P24 24 LEU C 41 ? GLY C 63 ? LEU C 40 GLY C 62 1 ? 23 +HELX_P HELX_P25 25 ARG C 91 ? GLN C 109 ? ARG C 90 GLN C 108 1 ? 19 +HELX_P HELX_P26 26 PHE C 125 ? TYR C 136 ? PHE C 124 TYR C 135 1 ? 12 +HELX_P HELX_P27 27 PHE C 147 ? VAL C 149 ? PHE C 146 VAL C 148 5 ? 3 +HELX_P HELX_P28 28 GLY C 165 ? HIS C 176 ? GLY C 164 HIS C 175 1 ? 12 +HELX_P HELX_P29 29 PRO C 177 ? VAL C 180 ? PRO C 176 VAL C 179 5 ? 4 +HELX_P HELX_P30 30 ASN C 181 ? ALA C 185 ? ASN C 180 ALA C 184 5 ? 5 +HELX_P HELX_P31 31 ILE C 195 ? GLU C 200 ? ILE C 194 GLU C 199 1 ? 6 +HELX_P HELX_P32 32 HIS C 208 ? THR C 213 ? HIS C 207 THR C 212 1 ? 6 +HELX_P HELX_P33 33 THR C 225 ? HIS C 250 ? THR C 224 HIS C 249 1 ? 26 +HELX_P HELX_P34 34 CYS D 12 ? LYS D 17 ? CYS D 11 LYS D 16 1 ? 6 +HELX_P HELX_P35 35 LEU D 41 ? GLY D 63 ? LEU D 40 GLY D 62 1 ? 23 +HELX_P HELX_P36 36 ARG D 91 ? GLN D 109 ? ARG D 90 GLN D 108 1 ? 19 +HELX_P HELX_P37 37 PHE D 125 ? TYR D 136 ? PHE D 124 TYR D 135 1 ? 12 +HELX_P HELX_P38 38 PHE D 147 ? VAL D 149 ? PHE D 146 VAL D 148 5 ? 3 +HELX_P HELX_P39 39 GLY D 165 ? HIS D 176 ? GLY D 164 HIS D 175 1 ? 12 +HELX_P HELX_P40 40 PRO D 177 ? VAL D 180 ? PRO D 176 VAL D 179 5 ? 4 +HELX_P HELX_P41 41 ASN D 181 ? ALA D 185 ? ASN D 180 ALA D 184 5 ? 5 +HELX_P HELX_P42 42 ILE D 195 ? GLU D 200 ? ILE D 194 GLU D 199 1 ? 6 +HELX_P HELX_P43 43 HIS D 208 ? THR D 213 ? HIS D 207 THR D 212 1 ? 6 +HELX_P HELX_P44 44 THR D 225 ? HIS D 250 ? THR D 224 HIS D 249 1 ? 26 +HELX_P HELX_P45 45 CYS E 12 ? LYS E 17 ? CYS E 11 LYS E 16 1 ? 6 +HELX_P HELX_P46 46 LEU E 41 ? GLY E 63 ? LEU E 40 GLY E 62 1 ? 23 +HELX_P HELX_P47 47 ARG E 91 ? GLN E 109 ? ARG E 90 GLN E 108 1 ? 19 +HELX_P HELX_P48 48 PHE E 125 ? TYR E 136 ? PHE E 124 TYR E 135 1 ? 12 +HELX_P HELX_P49 49 PHE E 147 ? VAL E 149 ? PHE E 146 VAL E 148 5 ? 3 +HELX_P HELX_P50 50 GLY E 165 ? HIS E 176 ? GLY E 164 HIS E 175 1 ? 12 +HELX_P HELX_P51 51 PRO E 177 ? VAL E 180 ? PRO E 176 VAL E 179 5 ? 4 +HELX_P HELX_P52 52 ASN E 181 ? ALA E 185 ? ASN E 180 ALA E 184 5 ? 5 +HELX_P HELX_P53 53 ILE E 195 ? GLU E 200 ? ILE E 194 GLU E 199 1 ? 6 +HELX_P HELX_P54 54 HIS E 208 ? THR E 213 ? HIS E 207 THR E 212 1 ? 6 +HELX_P HELX_P55 55 THR E 225 ? HIS E 250 ? THR E 224 HIS E 249 1 ? 26 +HELX_P HELX_P56 56 CYS F 12 ? LYS F 17 ? CYS F 11 LYS F 16 1 ? 6 +HELX_P HELX_P57 57 LEU F 41 ? GLY F 63 ? LEU F 40 GLY F 62 1 ? 23 +HELX_P HELX_P58 58 ARG F 91 ? GLN F 109 ? ARG F 90 GLN F 108 1 ? 19 +HELX_P HELX_P59 59 PHE F 125 ? TYR F 136 ? PHE F 124 TYR F 135 1 ? 12 +HELX_P HELX_P60 60 PHE F 147 ? VAL F 149 ? PHE F 146 VAL F 148 5 ? 3 +HELX_P HELX_P61 61 GLY F 165 ? HIS F 176 ? GLY F 164 HIS F 175 1 ? 12 +HELX_P HELX_P62 62 PRO F 177 ? VAL F 180 ? PRO F 176 VAL F 179 5 ? 4 +HELX_P HELX_P63 63 ASN F 181 ? ALA F 185 ? ASN F 180 ALA F 184 5 ? 5 +HELX_P HELX_P64 64 ILE F 195 ? GLU F 200 ? ILE F 194 GLU F 199 1 ? 6 +HELX_P HELX_P65 65 HIS F 208 ? THR F 213 ? HIS F 207 THR F 212 1 ? 6 +HELX_P HELX_P66 66 THR F 225 ? HIS F 250 ? THR F 224 HIS F 249 1 ? 26 +HELX_P HELX_P67 67 CYS G 12 ? LYS G 17 ? CYS G 11 LYS G 16 1 ? 6 +HELX_P HELX_P68 68 LEU G 41 ? GLY G 63 ? LEU G 40 GLY G 62 1 ? 23 +HELX_P HELX_P69 69 ARG G 91 ? GLN G 109 ? ARG G 90 GLN G 108 1 ? 19 +HELX_P HELX_P70 70 PHE G 125 ? TYR G 136 ? PHE G 124 TYR G 135 1 ? 12 +HELX_P HELX_P71 71 PHE G 147 ? VAL G 149 ? PHE G 146 VAL G 148 5 ? 3 +HELX_P HELX_P72 72 GLY G 165 ? HIS G 176 ? GLY G 164 HIS G 175 1 ? 12 +HELX_P HELX_P73 73 PRO G 177 ? VAL G 180 ? PRO G 176 VAL G 179 5 ? 4 +HELX_P HELX_P74 74 ASN G 181 ? ALA G 185 ? ASN G 180 ALA G 184 5 ? 5 +HELX_P HELX_P75 75 ILE G 195 ? GLU G 200 ? ILE G 194 GLU G 199 1 ? 6 +HELX_P HELX_P76 76 HIS G 208 ? THR G 213 ? HIS G 207 THR G 212 1 ? 6 +HELX_P HELX_P77 77 THR G 225 ? HIS G 250 ? THR G 224 HIS G 249 1 ? 26 +HELX_P HELX_P78 78 CYS H 12 ? LYS H 17 ? CYS H 11 LYS H 16 1 ? 6 +HELX_P HELX_P79 79 LEU H 41 ? GLY H 63 ? LEU H 40 GLY H 62 1 ? 23 +HELX_P HELX_P80 80 ARG H 91 ? GLN H 109 ? ARG H 90 GLN H 108 1 ? 19 +HELX_P HELX_P81 81 PHE H 125 ? TYR H 136 ? PHE H 124 TYR H 135 1 ? 12 +HELX_P HELX_P82 82 PHE H 147 ? VAL H 149 ? PHE H 146 VAL H 148 5 ? 3 +HELX_P HELX_P83 83 GLY H 165 ? HIS H 176 ? GLY H 164 HIS H 175 1 ? 12 +HELX_P HELX_P84 84 PRO H 177 ? VAL H 180 ? PRO H 176 VAL H 179 5 ? 4 +HELX_P HELX_P85 85 ASN H 181 ? ALA H 185 ? ASN H 180 ALA H 184 5 ? 5 +HELX_P HELX_P86 86 ILE H 195 ? GLU H 200 ? ILE H 194 GLU H 199 1 ? 6 +HELX_P HELX_P87 87 HIS H 208 ? THR H 213 ? HIS H 207 THR H 212 1 ? 6 +HELX_P HELX_P88 88 THR H 225 ? HIS H 250 ? THR H 224 HIS H 249 1 ? 26 +HELX_P HELX_P89 89 CYS I 12 ? LYS I 17 ? CYS I 11 LYS I 16 1 ? 6 +HELX_P HELX_P90 90 LEU I 41 ? GLY I 63 ? LEU I 40 GLY I 62 1 ? 23 +HELX_P HELX_P91 91 ARG I 91 ? GLN I 109 ? ARG I 90 GLN I 108 1 ? 19 +HELX_P HELX_P92 92 PHE I 125 ? TYR I 136 ? PHE I 124 TYR I 135 1 ? 12 +HELX_P HELX_P93 93 PHE I 147 ? VAL I 149 ? PHE I 146 VAL I 148 5 ? 3 +HELX_P HELX_P94 94 GLY I 165 ? HIS I 176 ? GLY I 164 HIS I 175 1 ? 12 +HELX_P HELX_P95 95 PRO I 177 ? VAL I 180 ? PRO I 176 VAL I 179 5 ? 4 +HELX_P HELX_P96 96 ASN I 181 ? ALA I 185 ? ASN I 180 ALA I 184 5 ? 5 +HELX_P HELX_P97 97 ILE I 195 ? GLU I 200 ? ILE I 194 GLU I 199 1 ? 6 +HELX_P HELX_P98 98 HIS I 208 ? THR I 213 ? HIS I 207 THR I 212 1 ? 6 +HELX_P HELX_P99 99 THR I 225 ? HIS I 250 ? THR I 224 HIS I 249 1 ? 26 +HELX_P HELX_P100 100 CYS J 12 ? LYS J 17 ? CYS J 11 LYS J 16 1 ? 6 +HELX_P HELX_P101 101 LEU J 41 ? GLY J 63 ? LEU J 40 GLY J 62 1 ? 23 +HELX_P HELX_P102 102 ARG J 91 ? GLN J 109 ? ARG J 90 GLN J 108 1 ? 19 +HELX_P HELX_P103 103 PHE J 125 ? TYR J 136 ? PHE J 124 TYR J 135 1 ? 12 +HELX_P HELX_P104 104 PHE J 147 ? VAL J 149 ? PHE J 146 VAL J 148 5 ? 3 +HELX_P HELX_P105 105 GLY J 165 ? HIS J 176 ? GLY J 164 HIS J 175 1 ? 12 +HELX_P HELX_P106 106 PRO J 177 ? VAL J 180 ? PRO J 176 VAL J 179 5 ? 4 +HELX_P HELX_P107 107 ASN J 181 ? ALA J 185 ? ASN J 180 ALA J 184 5 ? 5 +HELX_P HELX_P108 108 ILE J 195 ? GLU J 200 ? ILE J 194 GLU J 199 1 ? 6 +HELX_P HELX_P109 109 HIS J 208 ? THR J 213 ? HIS J 207 THR J 212 1 ? 6 +HELX_P HELX_P110 110 THR J 225 ? HIS J 250 ? THR J 224 HIS J 249 1 ? 26 +HELX_P HELX_P111 111 CYS K 12 ? LYS K 17 ? CYS K 11 LYS K 16 1 ? 6 +HELX_P HELX_P112 112 LEU K 41 ? GLY K 63 ? LEU K 40 GLY K 62 1 ? 23 +HELX_P HELX_P113 113 ARG K 91 ? GLN K 109 ? ARG K 90 GLN K 108 1 ? 19 +HELX_P HELX_P114 114 PHE K 125 ? TYR K 136 ? PHE K 124 TYR K 135 1 ? 12 +HELX_P HELX_P115 115 PHE K 147 ? VAL K 149 ? PHE K 146 VAL K 148 5 ? 3 +HELX_P HELX_P116 116 GLY K 165 ? HIS K 176 ? GLY K 164 HIS K 175 1 ? 12 +HELX_P HELX_P117 117 PRO K 177 ? VAL K 180 ? PRO K 176 VAL K 179 5 ? 4 +HELX_P HELX_P118 118 ASN K 181 ? ALA K 185 ? ASN K 180 ALA K 184 5 ? 5 +HELX_P HELX_P119 119 ILE K 195 ? GLU K 200 ? ILE K 194 GLU K 199 1 ? 6 +HELX_P HELX_P120 120 HIS K 208 ? THR K 213 ? HIS K 207 THR K 212 1 ? 6 +HELX_P HELX_P121 121 THR K 225 ? HIS K 250 ? THR K 224 HIS K 249 1 ? 26 +HELX_P HELX_P122 122 CYS L 12 ? LYS L 17 ? CYS L 11 LYS L 16 1 ? 6 +HELX_P HELX_P123 123 LEU L 41 ? GLY L 63 ? LEU L 40 GLY L 62 1 ? 23 +HELX_P HELX_P124 124 ARG L 91 ? GLN L 109 ? ARG L 90 GLN L 108 1 ? 19 +HELX_P HELX_P125 125 PHE L 125 ? TYR L 136 ? PHE L 124 TYR L 135 1 ? 12 +HELX_P HELX_P126 126 PHE L 147 ? VAL L 149 ? PHE L 146 VAL L 148 5 ? 3 +HELX_P HELX_P127 127 GLY L 165 ? HIS L 176 ? GLY L 164 HIS L 175 1 ? 12 +HELX_P HELX_P128 128 PRO L 177 ? VAL L 180 ? PRO L 176 VAL L 179 5 ? 4 +HELX_P HELX_P129 129 ASN L 181 ? ALA L 185 ? ASN L 180 ALA L 184 5 ? 5 +HELX_P HELX_P130 130 ILE L 195 ? GLU L 200 ? ILE L 194 GLU L 199 1 ? 6 +HELX_P HELX_P131 131 HIS L 208 ? THR L 213 ? HIS L 207 THR L 212 1 ? 6 +HELX_P HELX_P132 132 THR L 225 ? HIS L 250 ? THR L 224 HIS L 249 1 ? 26 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +covale1 covale ? A MSE 2 C ? ? ? 1_555 A ASN 3 N ? ? A MSE 1 A ASN 2 1_555 ? ? ? ? ? ? ? 1.346 ? +covale2 covale ? A CYS 66 C ? ? ? 1_555 A MSE 67 N ? ? A CYS 65 A MSE 66 1_555 ? ? ? ? ? ? ? 1.318 ? +covale3 covale ? A MSE 67 C ? ? ? 1_555 A VAL 68 N ? ? A MSE 66 A VAL 67 1_555 ? ? ? ? ? ? ? 1.329 ? +covale4 covale ? A VAL 68 C ? ? ? 1_555 A MSE 69 N ? ? A VAL 67 A MSE 68 1_555 ? ? ? ? ? ? ? 1.336 ? +covale5 covale ? A MSE 69 C ? ? ? 1_555 A PRO 70 N ? ? A MSE 68 A PRO 69 1_555 ? ? ? ? ? ? ? 1.347 ? +covale6 covale ? A GLY 127 C ? ? ? 1_555 A MSE 128 N ? ? A GLY 126 A MSE 127 1_555 ? ? ? ? ? ? ? 1.331 ? +covale7 covale ? A MSE 128 C ? ? ? 1_555 A ILE 129 N ? ? A MSE 127 A ILE 128 1_555 ? ? ? ? ? ? ? 1.340 ? +covale8 covale ? A VAL 171 C ? ? ? 1_555 A MSE 172 N ? ? A VAL 170 A MSE 171 1_555 ? ? ? ? ? ? ? 1.329 ? +covale9 covale ? A MSE 172 C ? ? ? 1_555 A MSE 173 N ? ? A MSE 171 A MSE 172 1_555 ? ? ? ? ? ? ? 1.339 ? +covale10 covale ? A MSE 173 C ? ? ? 1_555 A HIS 174 N ? ? A MSE 172 A HIS 173 1_555 ? ? ? ? ? ? ? 1.314 ? +covale11 covale ? A GLU 246 C ? ? ? 1_555 A MSE 247 N ? ? A GLU 245 A MSE 246 1_555 ? ? ? ? ? ? ? 1.339 ? +covale12 covale ? A MSE 247 C ? ? ? 1_555 A ALA 248 N ? ? A MSE 246 A ALA 247 1_555 ? ? ? ? ? ? ? 1.338 ? +covale13 covale ? B MSE 2 C ? ? ? 1_555 B ASN 3 N ? ? B MSE 1 B ASN 2 1_555 ? ? ? ? ? ? ? 1.330 ? +covale14 covale ? B CYS 66 C ? ? ? 1_555 B MSE 67 N ? ? B CYS 65 B MSE 66 1_555 ? ? ? ? ? ? ? 1.328 ? +covale15 covale ? B MSE 67 C ? ? ? 1_555 B VAL 68 N ? ? B MSE 66 B VAL 67 1_555 ? ? ? ? ? ? ? 1.339 ? +covale16 covale ? B VAL 68 C ? ? ? 1_555 B MSE 69 N ? ? B VAL 67 B MSE 68 1_555 ? ? ? ? ? ? ? 1.322 ? +covale17 covale ? B MSE 69 C ? ? ? 1_555 B PRO 70 N ? ? B MSE 68 B PRO 69 1_555 ? ? ? ? ? ? ? 1.331 ? +covale18 covale ? B GLY 127 C ? ? ? 1_555 B MSE 128 N ? ? B GLY 126 B MSE 127 1_555 ? ? ? ? ? ? ? 1.343 ? +covale19 covale ? B MSE 128 C ? ? ? 1_555 B ILE 129 N ? ? B MSE 127 B ILE 128 1_555 ? ? ? ? ? ? ? 1.334 ? +covale20 covale ? B VAL 171 C ? ? ? 1_555 B MSE 172 N ? ? B VAL 170 B MSE 171 1_555 ? ? ? ? ? ? ? 1.321 ? +covale21 covale ? B MSE 172 C ? ? ? 1_555 B MSE 173 N ? ? B MSE 171 B MSE 172 1_555 ? ? ? ? ? ? ? 1.331 ? +covale22 covale ? B MSE 173 C ? ? ? 1_555 B HIS 174 N ? ? B MSE 172 B HIS 173 1_555 ? ? ? ? ? ? ? 1.333 ? +covale23 covale ? B GLU 246 C ? ? ? 1_555 B MSE 247 N ? ? B GLU 245 B MSE 246 1_555 ? ? ? ? ? ? ? 1.343 ? +covale24 covale ? B MSE 247 C ? ? ? 1_555 B ALA 248 N ? ? B MSE 246 B ALA 247 1_555 ? ? ? ? ? ? ? 1.329 ? +covale25 covale ? C MSE 2 C ? ? ? 1_555 C ASN 3 N ? ? C MSE 1 C ASN 2 1_555 ? ? ? ? ? ? ? 1.330 ? +covale26 covale ? C CYS 66 C ? ? ? 1_555 C MSE 67 N ? ? C CYS 65 C MSE 66 1_555 ? ? ? ? ? ? ? 1.348 ? +covale27 covale ? C MSE 67 C ? ? ? 1_555 C VAL 68 N ? ? C MSE 66 C VAL 67 1_555 ? ? ? ? ? ? ? 1.334 ? +covale28 covale ? C VAL 68 C ? ? ? 1_555 C MSE 69 N ? ? C VAL 67 C MSE 68 1_555 ? ? ? ? ? ? ? 1.325 ? +covale29 covale ? C MSE 69 C ? ? ? 1_555 C PRO 70 N ? ? C MSE 68 C PRO 69 1_555 ? ? ? ? ? ? ? 1.340 ? +covale30 covale ? C GLY 127 C ? ? ? 1_555 C MSE 128 N ? ? C GLY 126 C MSE 127 1_555 ? ? ? ? ? ? ? 1.339 ? +covale31 covale ? C MSE 128 C ? ? ? 1_555 C ILE 129 N ? ? C MSE 127 C ILE 128 1_555 ? ? ? ? ? ? ? 1.323 ? +covale32 covale ? C VAL 171 C ? ? ? 1_555 C MSE 172 N ? ? C VAL 170 C MSE 171 1_555 ? ? ? ? ? ? ? 1.325 ? +covale33 covale ? C MSE 172 C ? ? ? 1_555 C MSE 173 N ? ? C MSE 171 C MSE 172 1_555 ? ? ? ? ? ? ? 1.331 ? +covale34 covale ? C MSE 173 C ? ? ? 1_555 C HIS 174 N ? ? C MSE 172 C HIS 173 1_555 ? ? ? ? ? ? ? 1.334 ? +covale35 covale ? C GLU 246 C ? ? ? 1_555 C MSE 247 N ? ? C GLU 245 C MSE 246 1_555 ? ? ? ? ? ? ? 1.339 ? +covale36 covale ? C MSE 247 C ? ? ? 1_555 C ALA 248 N ? ? C MSE 246 C ALA 247 1_555 ? ? ? ? ? ? ? 1.334 ? +covale37 covale ? D MSE 2 C ? ? ? 1_555 D ASN 3 N ? ? D MSE 1 D ASN 2 1_555 ? ? ? ? ? ? ? 1.339 ? +covale38 covale ? D CYS 66 C ? ? ? 1_555 D MSE 67 N ? ? D CYS 65 D MSE 66 1_555 ? ? ? ? ? ? ? 1.332 ? +covale39 covale ? D MSE 67 C ? ? ? 1_555 D VAL 68 N ? ? D MSE 66 D VAL 67 1_555 ? ? ? ? ? ? ? 1.336 ? +covale40 covale ? D VAL 68 C ? ? ? 1_555 D MSE 69 N ? ? D VAL 67 D MSE 68 1_555 ? ? ? ? ? ? ? 1.335 ? +covale41 covale ? D MSE 69 C ? ? ? 1_555 D PRO 70 N ? ? D MSE 68 D PRO 69 1_555 ? ? ? ? ? ? ? 1.339 ? +covale42 covale ? D GLY 127 C ? ? ? 1_555 D MSE 128 N ? ? D GLY 126 D MSE 127 1_555 ? ? ? ? ? ? ? 1.330 ? +covale43 covale ? D MSE 128 C ? ? ? 1_555 D ILE 129 N ? ? D MSE 127 D ILE 128 1_555 ? ? ? ? ? ? ? 1.315 ? +covale44 covale ? D VAL 171 C ? ? ? 1_555 D MSE 172 N ? ? D VAL 170 D MSE 171 1_555 ? ? ? ? ? ? ? 1.322 ? +covale45 covale ? D MSE 172 C ? ? ? 1_555 D MSE 173 N ? ? D MSE 171 D MSE 172 1_555 ? ? ? ? ? ? ? 1.329 ? +covale46 covale ? D MSE 173 C ? ? ? 1_555 D HIS 174 N ? ? D MSE 172 D HIS 173 1_555 ? ? ? ? ? ? ? 1.321 ? +covale47 covale ? D GLU 246 C ? ? ? 1_555 D MSE 247 N ? ? D GLU 245 D MSE 246 1_555 ? ? ? ? ? ? ? 1.325 ? +covale48 covale ? D MSE 247 C ? ? ? 1_555 D ALA 248 N ? ? D MSE 246 D ALA 247 1_555 ? ? ? ? ? ? ? 1.334 ? +covale49 covale ? E MSE 2 C ? ? ? 1_555 E ASN 3 N ? ? E MSE 1 E ASN 2 1_555 ? ? ? ? ? ? ? 1.330 ? +covale50 covale ? E CYS 66 C ? ? ? 1_555 E MSE 67 N ? ? E CYS 65 E MSE 66 1_555 ? ? ? ? ? ? ? 1.342 ? +covale51 covale ? E MSE 67 C ? ? ? 1_555 E VAL 68 N ? ? E MSE 66 E VAL 67 1_555 ? ? ? ? ? ? ? 1.335 ? +covale52 covale ? E VAL 68 C ? ? ? 1_555 E MSE 69 N ? ? E VAL 67 E MSE 68 1_555 ? ? ? ? ? ? ? 1.333 ? +covale53 covale ? E MSE 69 C ? ? ? 1_555 E PRO 70 N ? ? E MSE 68 E PRO 69 1_555 ? ? ? ? ? ? ? 1.333 ? +covale54 covale ? E GLY 127 C ? ? ? 1_555 E MSE 128 N ? ? E GLY 126 E MSE 127 1_555 ? ? ? ? ? ? ? 1.342 ? +covale55 covale ? E MSE 128 C ? ? ? 1_555 E ILE 129 N ? ? E MSE 127 E ILE 128 1_555 ? ? ? ? ? ? ? 1.325 ? +covale56 covale ? E VAL 171 C ? ? ? 1_555 E MSE 172 N ? ? E VAL 170 E MSE 171 1_555 ? ? ? ? ? ? ? 1.331 ? +covale57 covale ? E MSE 172 C ? ? ? 1_555 E MSE 173 N ? ? E MSE 171 E MSE 172 1_555 ? ? ? ? ? ? ? 1.331 ? +covale58 covale ? E MSE 173 C ? ? ? 1_555 E HIS 174 N ? ? E MSE 172 E HIS 173 1_555 ? ? ? ? ? ? ? 1.329 ? +covale59 covale ? E GLU 246 C ? ? ? 1_555 E MSE 247 N ? ? E GLU 245 E MSE 246 1_555 ? ? ? ? ? ? ? 1.334 ? +covale60 covale ? E MSE 247 C ? ? ? 1_555 E ALA 248 N ? ? E MSE 246 E ALA 247 1_555 ? ? ? ? ? ? ? 1.329 ? +covale61 covale ? F GLY 1 C ? ? ? 1_555 F MSE 2 N ? ? F GLY 0 F MSE 1 1_555 ? ? ? ? ? ? ? 1.325 ? +covale62 covale ? F MSE 2 C ? ? ? 1_555 F ASN 3 N ? ? F MSE 1 F ASN 2 1_555 ? ? ? ? ? ? ? 1.337 ? +covale63 covale ? F CYS 66 C ? ? ? 1_555 F MSE 67 N ? ? F CYS 65 F MSE 66 1_555 ? ? ? ? ? ? ? 1.323 ? +covale64 covale ? F MSE 67 C ? ? ? 1_555 F VAL 68 N ? ? F MSE 66 F VAL 67 1_555 ? ? ? ? ? ? ? 1.327 ? +covale65 covale ? F VAL 68 C ? ? ? 1_555 F MSE 69 N ? ? F VAL 67 F MSE 68 1_555 ? ? ? ? ? ? ? 1.332 ? +covale66 covale ? F MSE 69 C ? ? ? 1_555 F PRO 70 N ? ? F MSE 68 F PRO 69 1_555 ? ? ? ? ? ? ? 1.343 ? +covale67 covale ? F GLY 127 C ? ? ? 1_555 F MSE 128 N ? ? F GLY 126 F MSE 127 1_555 ? ? ? ? ? ? ? 1.332 ? +covale68 covale ? F MSE 128 C ? ? ? 1_555 F ILE 129 N ? ? F MSE 127 F ILE 128 1_555 ? ? ? ? ? ? ? 1.324 ? +covale69 covale ? F VAL 171 C ? ? ? 1_555 F MSE 172 N ? ? F VAL 170 F MSE 171 1_555 ? ? ? ? ? ? ? 1.334 ? +covale70 covale ? F MSE 172 C ? ? ? 1_555 F MSE 173 N ? ? F MSE 171 F MSE 172 1_555 ? ? ? ? ? ? ? 1.334 ? +covale71 covale ? F MSE 173 C ? ? ? 1_555 F HIS 174 N ? ? F MSE 172 F HIS 173 1_555 ? ? ? ? ? ? ? 1.324 ? +covale72 covale ? F GLU 246 C ? ? ? 1_555 F MSE 247 N ? ? F GLU 245 F MSE 246 1_555 ? ? ? ? ? ? ? 1.329 ? +covale73 covale ? F MSE 247 C ? ? ? 1_555 F ALA 248 N ? ? F MSE 246 F ALA 247 1_555 ? ? ? ? ? ? ? 1.338 ? +covale74 covale ? G MSE 2 C ? ? ? 1_555 G ASN 3 N ? ? G MSE 1 G ASN 2 1_555 ? ? ? ? ? ? ? 1.327 ? +covale75 covale ? G CYS 66 C ? ? ? 1_555 G MSE 67 N ? ? G CYS 65 G MSE 66 1_555 ? ? ? ? ? ? ? 1.335 ? +covale76 covale ? G MSE 67 C ? ? ? 1_555 G VAL 68 N ? ? G MSE 66 G VAL 67 1_555 ? ? ? ? ? ? ? 1.337 ? +covale77 covale ? G VAL 68 C ? ? ? 1_555 G MSE 69 N ? ? G VAL 67 G MSE 68 1_555 ? ? ? ? ? ? ? 1.328 ? +covale78 covale ? G MSE 69 C ? ? ? 1_555 G PRO 70 N ? ? G MSE 68 G PRO 69 1_555 ? ? ? ? ? ? ? 1.354 ? +covale79 covale ? G GLY 127 C ? ? ? 1_555 G MSE 128 N ? ? G GLY 126 G MSE 127 1_555 ? ? ? ? ? ? ? 1.317 ? +covale80 covale ? G MSE 128 C ? ? ? 1_555 G ILE 129 N ? ? G MSE 127 G ILE 128 1_555 ? ? ? ? ? ? ? 1.319 ? +covale81 covale ? G VAL 171 C ? ? ? 1_555 G MSE 172 N ? ? G VAL 170 G MSE 171 1_555 ? ? ? ? ? ? ? 1.321 ? +covale82 covale ? G MSE 172 C ? ? ? 1_555 G MSE 173 N ? ? G MSE 171 G MSE 172 1_555 ? ? ? ? ? ? ? 1.340 ? +covale83 covale ? G MSE 173 C ? ? ? 1_555 G HIS 174 N ? ? G MSE 172 G HIS 173 1_555 ? ? ? ? ? ? ? 1.337 ? +covale84 covale ? G GLU 246 C ? ? ? 1_555 G MSE 247 N ? ? G GLU 245 G MSE 246 1_555 ? ? ? ? ? ? ? 1.333 ? +covale85 covale ? G MSE 247 C ? ? ? 1_555 G ALA 248 N ? ? G MSE 246 G ALA 247 1_555 ? ? ? ? ? ? ? 1.324 ? +covale86 covale ? H MSE 2 C ? ? ? 1_555 H ASN 3 N ? ? H MSE 1 H ASN 2 1_555 ? ? ? ? ? ? ? 1.335 ? +covale87 covale ? H CYS 66 C ? ? ? 1_555 H MSE 67 N ? ? H CYS 65 H MSE 66 1_555 ? ? ? ? ? ? ? 1.332 ? +covale88 covale ? H MSE 67 C ? ? ? 1_555 H VAL 68 N ? ? H MSE 66 H VAL 67 1_555 ? ? ? ? ? ? ? 1.333 ? +covale89 covale ? H VAL 68 C ? ? ? 1_555 H MSE 69 N ? ? H VAL 67 H MSE 68 1_555 ? ? ? ? ? ? ? 1.335 ? +covale90 covale ? H MSE 69 C ? ? ? 1_555 H PRO 70 N ? ? H MSE 68 H PRO 69 1_555 ? ? ? ? ? ? ? 1.344 ? +covale91 covale ? H GLY 127 C ? ? ? 1_555 H MSE 128 N ? ? H GLY 126 H MSE 127 1_555 ? ? ? ? ? ? ? 1.336 ? +covale92 covale ? H MSE 128 C ? ? ? 1_555 H ILE 129 N ? ? H MSE 127 H ILE 128 1_555 ? ? ? ? ? ? ? 1.323 ? +covale93 covale ? H VAL 171 C ? ? ? 1_555 H MSE 172 N ? ? H VAL 170 H MSE 171 1_555 ? ? ? ? ? ? ? 1.329 ? +covale94 covale ? H MSE 172 C ? ? ? 1_555 H MSE 173 N ? ? H MSE 171 H MSE 172 1_555 ? ? ? ? ? ? ? 1.336 ? +covale95 covale ? H MSE 173 C ? ? ? 1_555 H HIS 174 N ? ? H MSE 172 H HIS 173 1_555 ? ? ? ? ? ? ? 1.329 ? +covale96 covale ? H GLU 246 C ? ? ? 1_555 H MSE 247 N ? ? H GLU 245 H MSE 246 1_555 ? ? ? ? ? ? ? 1.332 ? +covale97 covale ? H MSE 247 C ? ? ? 1_555 H ALA 248 N ? ? H MSE 246 H ALA 247 1_555 ? ? ? ? ? ? ? 1.332 ? +covale98 covale ? I MSE 2 C ? ? ? 1_555 I ASN 3 N ? ? I MSE 1 I ASN 2 1_555 ? ? ? ? ? ? ? 1.334 ? +covale99 covale ? I CYS 66 C ? ? ? 1_555 I MSE 67 N ? ? I CYS 65 I MSE 66 1_555 ? ? ? ? ? ? ? 1.322 ? +covale100 covale ? I MSE 67 C ? ? ? 1_555 I VAL 68 N ? ? I MSE 66 I VAL 67 1_555 ? ? ? ? ? ? ? 1.320 ? +covale101 covale ? I VAL 68 C ? ? ? 1_555 I MSE 69 N ? ? I VAL 67 I MSE 68 1_555 ? ? ? ? ? ? ? 1.323 ? +covale102 covale ? I MSE 69 C ? ? ? 1_555 I PRO 70 N ? ? I MSE 68 I PRO 69 1_555 ? ? ? ? ? ? ? 1.340 ? +covale103 covale ? I GLY 127 C ? ? ? 1_555 I MSE 128 N ? ? I GLY 126 I MSE 127 1_555 ? ? ? ? ? ? ? 1.330 ? +covale104 covale ? I MSE 128 C ? ? ? 1_555 I ILE 129 N ? ? I MSE 127 I ILE 128 1_555 ? ? ? ? ? ? ? 1.321 ? +covale105 covale ? I VAL 171 C ? ? ? 1_555 I MSE 172 N ? ? I VAL 170 I MSE 171 1_555 ? ? ? ? ? ? ? 1.329 ? +covale106 covale ? I MSE 172 C ? ? ? 1_555 I MSE 173 N ? ? I MSE 171 I MSE 172 1_555 ? ? ? ? ? ? ? 1.321 ? +covale107 covale ? I MSE 173 C ? ? ? 1_555 I HIS 174 N ? ? I MSE 172 I HIS 173 1_555 ? ? ? ? ? ? ? 1.339 ? +covale108 covale ? I GLU 246 C ? ? ? 1_555 I MSE 247 N ? ? I GLU 245 I MSE 246 1_555 ? ? ? ? ? ? ? 1.343 ? +covale109 covale ? I MSE 247 C ? ? ? 1_555 I ALA 248 N ? ? I MSE 246 I ALA 247 1_555 ? ? ? ? ? ? ? 1.338 ? +covale110 covale ? J MSE 2 C ? ? ? 1_555 J ASN 3 N ? ? J MSE 1 J ASN 2 1_555 ? ? ? ? ? ? ? 1.326 ? +covale111 covale ? J CYS 66 C ? ? ? 1_555 J MSE 67 N ? ? J CYS 65 J MSE 66 1_555 ? ? ? ? ? ? ? 1.337 ? +covale112 covale ? J MSE 67 C ? ? ? 1_555 J VAL 68 N ? ? J MSE 66 J VAL 67 1_555 ? ? ? ? ? ? ? 1.324 ? +covale113 covale ? J VAL 68 C ? ? ? 1_555 J MSE 69 N ? ? J VAL 67 J MSE 68 1_555 ? ? ? ? ? ? ? 1.335 ? +covale114 covale ? J MSE 69 C ? ? ? 1_555 J PRO 70 N ? ? J MSE 68 J PRO 69 1_555 ? ? ? ? ? ? ? 1.342 ? +covale115 covale ? J GLY 127 C ? ? ? 1_555 J MSE 128 N ? ? J GLY 126 J MSE 127 1_555 ? ? ? ? ? ? ? 1.336 ? +covale116 covale ? J MSE 128 C ? ? ? 1_555 J ILE 129 N ? ? J MSE 127 J ILE 128 1_555 ? ? ? ? ? ? ? 1.324 ? +covale117 covale ? J VAL 171 C ? ? ? 1_555 J MSE 172 N ? ? J VAL 170 J MSE 171 1_555 ? ? ? ? ? ? ? 1.333 ? +covale118 covale ? J MSE 172 C ? ? ? 1_555 J MSE 173 N ? ? J MSE 171 J MSE 172 1_555 ? ? ? ? ? ? ? 1.334 ? +covale119 covale ? J MSE 173 C ? ? ? 1_555 J HIS 174 N ? ? J MSE 172 J HIS 173 1_555 ? ? ? ? ? ? ? 1.328 ? +covale120 covale ? J GLU 246 C ? ? ? 1_555 J MSE 247 N ? ? J GLU 245 J MSE 246 1_555 ? ? ? ? ? ? ? 1.332 ? +covale121 covale ? J MSE 247 C ? ? ? 1_555 J ALA 248 N ? ? J MSE 246 J ALA 247 1_555 ? ? ? ? ? ? ? 1.336 ? +covale122 covale ? K MSE 2 C ? ? ? 1_555 K ASN 3 N ? ? K MSE 1 K ASN 2 1_555 ? ? ? ? ? ? ? 1.328 ? +covale123 covale ? K CYS 66 C ? ? ? 1_555 K MSE 67 N ? ? K CYS 65 K MSE 66 1_555 ? ? ? ? ? ? ? 1.335 ? +covale124 covale ? K MSE 67 C ? ? ? 1_555 K VAL 68 N ? ? K MSE 66 K VAL 67 1_555 ? ? ? ? ? ? ? 1.344 ? +covale125 covale ? K VAL 68 C ? ? ? 1_555 K MSE 69 N ? ? K VAL 67 K MSE 68 1_555 ? ? ? ? ? ? ? 1.316 ? +covale126 covale ? K MSE 69 C ? ? ? 1_555 K PRO 70 N ? ? K MSE 68 K PRO 69 1_555 ? ? ? ? ? ? ? 1.344 ? +covale127 covale ? K GLY 127 C ? ? ? 1_555 K MSE 128 N ? ? K GLY 126 K MSE 127 1_555 ? ? ? ? ? ? ? 1.324 ? +covale128 covale ? K MSE 128 C ? ? ? 1_555 K ILE 129 N ? ? K MSE 127 K ILE 128 1_555 ? ? ? ? ? ? ? 1.332 ? +covale129 covale ? K VAL 171 C ? ? ? 1_555 K MSE 172 N ? ? K VAL 170 K MSE 171 1_555 ? ? ? ? ? ? ? 1.343 ? +covale130 covale ? K MSE 172 C ? ? ? 1_555 K MSE 173 N ? ? K MSE 171 K MSE 172 1_555 ? ? ? ? ? ? ? 1.331 ? +covale131 covale ? K MSE 173 C ? ? ? 1_555 K HIS 174 N ? ? K MSE 172 K HIS 173 1_555 ? ? ? ? ? ? ? 1.329 ? +covale132 covale ? K GLU 246 C ? ? ? 1_555 K MSE 247 N ? ? K GLU 245 K MSE 246 1_555 ? ? ? ? ? ? ? 1.336 ? +covale133 covale ? K MSE 247 C ? ? ? 1_555 K ALA 248 N ? ? K MSE 246 K ALA 247 1_555 ? ? ? ? ? ? ? 1.330 ? +covale134 covale ? L MSE 2 C ? ? ? 1_555 L ASN 3 N ? ? L MSE 1 L ASN 2 1_555 ? ? ? ? ? ? ? 1.328 ? +covale135 covale ? L CYS 66 C ? ? ? 1_555 L MSE 67 N ? ? L CYS 65 L MSE 66 1_555 ? ? ? ? ? ? ? 1.341 ? +covale136 covale ? L MSE 67 C ? ? ? 1_555 L VAL 68 N ? ? L MSE 66 L VAL 67 1_555 ? ? ? ? ? ? ? 1.330 ? +covale137 covale ? L VAL 68 C ? ? ? 1_555 L MSE 69 N ? ? L VAL 67 L MSE 68 1_555 ? ? ? ? ? ? ? 1.325 ? +covale138 covale ? L MSE 69 C ? ? ? 1_555 L PRO 70 N ? ? L MSE 68 L PRO 69 1_555 ? ? ? ? ? ? ? 1.355 ? +covale139 covale ? L GLY 127 C ? ? ? 1_555 L MSE 128 N ? ? L GLY 126 L MSE 127 1_555 ? ? ? ? ? ? ? 1.324 ? +covale140 covale ? L MSE 128 C ? ? ? 1_555 L ILE 129 N ? ? L MSE 127 L ILE 128 1_555 ? ? ? ? ? ? ? 1.321 ? +covale141 covale ? L VAL 171 C ? ? ? 1_555 L MSE 172 N ? ? L VAL 170 L MSE 171 1_555 ? ? ? ? ? ? ? 1.335 ? +covale142 covale ? L MSE 172 C ? ? ? 1_555 L MSE 173 N ? ? L MSE 171 L MSE 172 1_555 ? ? ? ? ? ? ? 1.332 ? +covale143 covale ? L MSE 173 C ? ? ? 1_555 L HIS 174 N ? ? L MSE 172 L HIS 173 1_555 ? ? ? ? ? ? ? 1.341 ? +covale144 covale ? L GLU 246 C ? ? ? 1_555 L MSE 247 N ? ? L GLU 245 L MSE 246 1_555 ? ? ? ? ? ? ? 1.340 ? +covale145 covale ? L MSE 247 C ? ? ? 1_555 L ALA 248 N ? ? L MSE 246 L ALA 247 1_555 ? ? ? ? ? ? ? 1.339 ? +metalc1 metalc ? G GLU 168 OE2 ? ? ? 1_555 TA ZN . ZN ? ? G GLU 167 G ZN 302 1_555 ? ? ? ? ? ? ? 1.846 ? +metalc2 metalc ? J GLU 168 OE2 ? ? ? 1_555 GB ZN . ZN ? ? J GLU 167 J ZN 302 1_555 ? ? ? ? ? ? ? 1.869 ? +metalc3 metalc ? A GLU 168 OE2 ? ? ? 1_555 N ZN . ZN ? ? A GLU 167 A ZN 302 1_555 ? ? ? ? ? ? ? 1.889 ? +metalc4 metalc ? F GLU 168 OE2 ? ? ? 1_555 PA ZN . ZN ? ? F GLU 167 F ZN 302 1_555 ? ? ? ? ? ? ? 1.898 ? +metalc5 metalc ? F ASP 43 OD1 ? ? ? 1_555 PA ZN . ZN ? ? F ASP 42 F ZN 302 1_555 ? ? ? ? ? ? ? 1.905 ? +metalc6 metalc ? L ASP 43 OD1 ? ? ? 1_555 QB ZN . ZN ? ? L ASP 42 L ZN 302 1_555 ? ? ? ? ? ? ? 1.938 ? +metalc7 metalc ? E GLU 168 OE2 ? ? ? 1_555 IA ZN . ZN ? ? E GLU 167 E ZN 302 1_555 ? ? ? ? ? ? ? 1.944 ? +metalc8 metalc ? I GLU 168 OE2 ? ? ? 1_555 BB ZN . ZN ? ? I GLU 167 I ZN 302 1_555 ? ? ? ? ? ? ? 1.963 ? +metalc9 metalc ? J ASP 43 OD1 ? ? ? 1_555 GB ZN . ZN ? ? J ASP 42 J ZN 302 1_555 ? ? ? ? ? ? ? 1.966 ? +metalc10 metalc ? L GLU 168 OE2 ? ? ? 1_555 QB ZN . ZN ? ? L GLU 167 L ZN 302 1_555 ? ? ? ? ? ? ? 1.971 ? +metalc11 metalc ? H ASP 43 OD1 ? ? ? 1_555 YA ZN . ZN ? ? H ASP 42 H ZN 302 1_555 ? ? ? ? ? ? ? 1.978 ? +metalc12 metalc ? H GLU 168 OE2 ? ? ? 1_555 YA ZN . ZN ? ? H GLU 167 H ZN 302 1_555 ? ? ? ? ? ? ? 1.981 ? +metalc13 metalc ? K GLU 168 OE2 ? ? ? 1_555 LB ZN . ZN ? ? K GLU 167 K ZN 302 1_555 ? ? ? ? ? ? ? 1.988 ? +metalc14 metalc ? E ASP 43 OD1 ? ? ? 1_555 IA ZN . ZN ? ? E ASP 42 E ZN 302 1_555 ? ? ? ? ? ? ? 1.989 ? +metalc15 metalc ? K ASP 43 OD1 ? ? ? 1_555 LB ZN . ZN ? ? K ASP 42 K ZN 302 1_555 ? ? ? ? ? ? ? 1.989 ? +metalc16 metalc ? D ASP 43 OD1 ? ? ? 1_555 BA ZN . ZN ? ? D ASP 42 D ZN 302 1_555 ? ? ? ? ? ? ? 1.989 ? +metalc17 metalc ? E HIS 34 NE2 ? ? ? 1_555 IA ZN . ZN ? ? E HIS 33 E ZN 302 1_555 ? ? ? ? ? ? ? 1.989 ? +metalc18 metalc ? I ASP 43 OD1 ? ? ? 1_555 BB ZN . ZN ? ? I ASP 42 I ZN 302 1_555 ? ? ? ? ? ? ? 2.015 ? +metalc19 metalc ? A ASP 43 OD1 ? ? ? 1_555 N ZN . ZN ? ? A ASP 42 A ZN 302 1_555 ? ? ? ? ? ? ? 2.016 ? +metalc20 metalc ? D HIS 34 NE2 ? ? ? 1_555 BA ZN . ZN ? ? D HIS 33 D ZN 302 1_555 ? ? ? ? ? ? ? 2.017 ? +metalc21 metalc ? B ASP 43 OD1 ? ? ? 1_555 R ZN . ZN ? ? B ASP 42 B ZN 302 1_555 ? ? ? ? ? ? ? 2.018 ? +metalc22 metalc ? I HIS 34 NE2 ? ? ? 1_555 BB ZN . ZN ? ? I HIS 33 I ZN 302 1_555 ? ? ? ? ? ? ? 2.019 ? +metalc23 metalc ? B ASP 43 OD2 ? ? ? 1_555 Q ZN . ZN ? ? B ASP 42 B ZN 301 1_555 ? ? ? ? ? ? ? 2.026 ? +metalc24 metalc ? G HIS 34 NE2 ? ? ? 1_555 TA ZN . ZN ? ? G HIS 33 G ZN 302 1_555 ? ? ? ? ? ? ? 2.033 ? +metalc25 metalc ? G ASP 43 OD1 ? ? ? 1_555 TA ZN . ZN ? ? G ASP 42 G ZN 302 1_555 ? ? ? ? ? ? ? 2.041 ? +metalc26 metalc ? J HIS 34 NE2 ? ? ? 1_555 GB ZN . ZN ? ? J HIS 33 J ZN 302 1_555 ? ? ? ? ? ? ? 2.046 ? +metalc27 metalc ? D GLU 168 OE2 ? ? ? 1_555 BA ZN . ZN ? ? D GLU 167 D ZN 302 1_555 ? ? ? ? ? ? ? 2.046 ? +metalc28 metalc ? C GLU 168 OE2 ? ? ? 1_555 V ZN . ZN ? ? C GLU 167 C ZN 302 1_555 ? ? ? ? ? ? ? 2.054 ? +metalc29 metalc ? C ASP 43 OD1 ? ? ? 1_555 V ZN . ZN ? ? C ASP 42 C ZN 302 1_555 ? ? ? ? ? ? ? 2.060 ? +metalc30 metalc ? C HIS 34 NE2 ? ? ? 1_555 V ZN . ZN ? ? C HIS 33 C ZN 302 1_555 ? ? ? ? ? ? ? 2.073 ? +metalc31 metalc ? F ASP 43 OD2 ? ? ? 1_555 OA ZN . ZN ? ? F ASP 42 F ZN 301 1_555 ? ? ? ? ? ? ? 2.074 ? +metalc32 metalc ? K HIS 34 NE2 ? ? ? 1_555 LB ZN . ZN ? ? K HIS 33 K ZN 302 1_555 ? ? ? ? ? ? ? 2.081 ? +metalc33 metalc ? I ASP 43 OD2 ? ? ? 1_555 AB ZN . ZN ? ? I ASP 42 I ZN 301 1_555 ? ? ? ? ? ? ? 2.101 ? +metalc34 metalc ? I GLU 32 OE1 ? ? ? 1_555 AB ZN . ZN ? ? I GLU 31 I ZN 301 1_555 ? ? ? ? ? ? ? 2.106 ? +metalc35 metalc ? H HIS 34 NE2 ? ? ? 1_555 YA ZN . ZN ? ? H HIS 33 H ZN 302 1_555 ? ? ? ? ? ? ? 2.112 ? +metalc36 metalc ? D ASP 43 OD2 ? ? ? 1_555 AA ZN . ZN ? ? D ASP 42 D ZN 301 1_555 ? ? ? ? ? ? ? 2.112 ? +metalc37 metalc ? B HIS 34 NE2 ? ? ? 1_555 R ZN . ZN ? ? B HIS 33 B ZN 302 1_555 ? ? ? ? ? ? ? 2.117 ? +metalc38 metalc ? G ASP 43 OD2 ? ? ? 1_555 SA ZN . ZN ? ? G ASP 42 G ZN 301 1_555 ? ? ? ? ? ? ? 2.117 ? +metalc39 metalc ? L HIS 34 NE2 ? ? ? 1_555 QB ZN . ZN ? ? L HIS 33 L ZN 302 1_555 ? ? ? ? ? ? ? 2.121 ? +metalc40 metalc ? L ASP 43 OD2 ? ? ? 1_555 PB ZN . ZN ? ? L ASP 42 L ZN 301 1_555 ? ? ? ? ? ? ? 2.132 ? +metalc41 metalc ? B GLU 168 OE2 ? ? ? 1_555 R ZN . ZN ? ? B GLU 167 B ZN 302 1_555 ? ? ? ? ? ? ? 2.138 ? +metalc42 metalc ? C ASP 43 OD2 ? ? ? 1_555 U ZN . ZN ? ? C ASP 42 C ZN 301 1_555 ? ? ? ? ? ? ? 2.143 ? +metalc43 metalc ? E ASP 43 OD2 ? ? ? 1_555 HA ZN . ZN ? ? E ASP 42 E ZN 301 1_555 ? ? ? ? ? ? ? 2.151 ? +metalc44 metalc ? G GLU 32 OE1 ? ? ? 1_555 SA ZN . ZN ? ? G GLU 31 G ZN 301 1_555 ? ? ? ? ? ? ? 2.154 ? +metalc45 metalc ? J GLU 32 OE1 ? ? ? 1_555 FB ZN . ZN ? ? J GLU 31 J ZN 301 1_555 ? ? ? ? ? ? ? 2.165 ? +metalc46 metalc ? J ASP 43 OD2 ? ? ? 1_555 FB ZN . ZN ? ? J ASP 42 J ZN 301 1_555 ? ? ? ? ? ? ? 2.166 ? +metalc47 metalc ? K ASP 43 OD2 ? ? ? 1_555 KB ZN . ZN ? ? K ASP 42 K ZN 301 1_555 ? ? ? ? ? ? ? 2.168 ? +metalc48 metalc ? F HIS 34 NE2 ? ? ? 1_555 PA ZN . ZN ? ? F HIS 33 F ZN 302 1_555 ? ? ? ? ? ? ? 2.174 ? +metalc49 metalc ? A HIS 34 NE2 ? ? ? 1_555 N ZN . ZN ? ? A HIS 33 A ZN 302 1_555 ? ? ? ? ? ? ? 2.175 ? +metalc50 metalc ? H ASP 43 OD2 ? ? ? 1_555 XA ZN . ZN ? ? H ASP 42 H ZN 301 1_555 ? ? ? ? ? ? ? 2.194 ? +metalc51 metalc ? A ASP 43 OD2 ? ? ? 1_555 M ZN . ZN ? ? A ASP 42 A ZN 301 1_555 ? ? ? ? ? ? ? 2.206 ? +metalc52 metalc ? H GLU 32 OE1 ? ? ? 1_555 XA ZN . ZN ? ? H GLU 31 H ZN 301 1_555 ? ? ? ? ? ? ? 2.214 ? +metalc53 metalc ? A GLU 32 OE1 ? ? ? 1_555 M ZN . ZN ? ? A GLU 31 A ZN 301 1_555 ? ? ? ? ? ? ? 2.221 ? +metalc54 metalc ? B GLU 32 OE1 ? ? ? 1_555 Q ZN . ZN ? ? B GLU 31 B ZN 301 1_555 ? ? ? ? ? ? ? 2.223 ? +metalc55 metalc ? C GLU 32 OE1 ? ? ? 1_555 U ZN . ZN ? ? C GLU 31 C ZN 301 1_555 ? ? ? ? ? ? ? 2.234 ? +metalc56 metalc ? L GLU 32 OE1 ? ? ? 1_555 PB ZN . ZN ? ? L GLU 31 L ZN 301 1_555 ? ? ? ? ? ? ? 2.246 ? +metalc57 metalc ? F GLU 32 OE1 ? ? ? 1_555 OA ZN . ZN ? ? F GLU 31 F ZN 301 1_555 ? ? ? ? ? ? ? 2.252 ? +metalc58 metalc ? K GLU 32 OE1 ? ? ? 1_555 KB ZN . ZN ? ? K GLU 31 K ZN 301 1_555 ? ? ? ? ? ? ? 2.262 ? +metalc59 metalc ? F HIS 120 ND1 ? ? ? 1_555 OA ZN . ZN ? ? F HIS 119 F ZN 301 1_555 ? ? ? ? ? ? ? 2.305 ? +metalc60 metalc ? L HIS 120 ND1 ? ? ? 1_555 PB ZN . ZN ? ? L HIS 119 L ZN 301 1_555 ? ? ? ? ? ? ? 2.310 ? +metalc61 metalc ? D GLU 32 OE1 ? ? ? 1_555 AA ZN . ZN ? ? D GLU 31 D ZN 301 1_555 ? ? ? ? ? ? ? 2.312 ? +metalc62 metalc ? G HIS 120 ND1 ? ? ? 1_555 SA ZN . ZN ? ? G HIS 119 G ZN 301 1_555 ? ? ? ? ? ? ? 2.335 ? +metalc63 metalc ? B HIS 120 ND1 ? ? ? 1_555 Q ZN . ZN ? ? B HIS 119 B ZN 301 1_555 ? ? ? ? ? ? ? 2.338 ? +metalc64 metalc ? E GLU 32 OE1 ? ? ? 1_555 HA ZN . ZN ? ? E GLU 31 E ZN 301 1_555 ? ? ? ? ? ? ? 2.344 ? +metalc65 metalc ? D ASP 210 O ? ? ? 1_555 CA CA . CA ? ? D ASP 209 D CA 254 1_555 ? ? ? ? ? ? ? 2.347 ? +metalc66 metalc ? J HIS 120 ND1 ? ? ? 1_555 FB ZN . ZN ? ? J HIS 119 J ZN 301 1_555 ? ? ? ? ? ? ? 2.366 ? +metalc67 metalc ? H HIS 120 ND1 ? ? ? 1_555 XA ZN . ZN ? ? H HIS 119 H ZN 301 1_555 ? ? ? ? ? ? ? 2.369 ? +metalc68 metalc ? C HIS 120 ND1 ? ? ? 1_555 U ZN . ZN ? ? C HIS 119 C ZN 301 1_555 ? ? ? ? ? ? ? 2.375 ? +metalc69 metalc ? A HIS 120 ND1 ? ? ? 1_555 M ZN . ZN ? ? A HIS 119 A ZN 301 1_555 ? ? ? ? ? ? ? 2.375 ? +metalc70 metalc ? E HIS 120 ND1 ? ? ? 1_555 HA ZN . ZN ? ? E HIS 119 E ZN 301 1_555 ? ? ? ? ? ? ? 2.381 ? +metalc71 metalc ? I HIS 120 ND1 ? ? ? 1_555 AB ZN . ZN ? ? I HIS 119 I ZN 301 1_555 ? ? ? ? ? ? ? 2.399 ? +metalc72 metalc ? K HIS 120 ND1 ? ? ? 1_555 KB ZN . ZN ? ? K HIS 119 K ZN 301 1_555 ? ? ? ? ? ? ? 2.415 ? +metalc73 metalc ? D HIS 120 ND1 ? ? ? 1_555 AA ZN . ZN ? ? D HIS 119 D ZN 301 1_555 ? ? ? ? ? ? ? 2.419 ? +metalc74 metalc ? I ASP 210 O ? ? ? 1_555 CB CA . CA ? ? I ASP 209 I CA 254 1_555 ? ? ? ? ? ? ? 2.431 ? +metalc75 metalc ? E ASP 210 O ? ? ? 1_555 JA CA . CA ? ? E ASP 209 E CA 254 1_555 ? ? ? ? ? ? ? 2.455 ? +metalc76 metalc ? B GLU 168 OE1 ? ? ? 1_555 R ZN . ZN ? ? B GLU 167 B ZN 302 1_555 ? ? ? ? ? ? ? 2.677 ? +metalc77 metalc ? IA ZN . ZN ? ? ? 1_555 YB HOH . O ? ? E ZN 302 E HOH 445 1_555 ? ? ? ? ? ? ? 1.742 ? +metalc78 metalc ? BB ZN . ZN ? ? ? 1_555 CC HOH . O ? ? I ZN 302 I HOH 462 1_555 ? ? ? ? ? ? ? 1.830 ? +metalc79 metalc ? LB ZN . ZN ? ? ? 1_555 EC HOH . O ? ? K ZN 302 K HOH 549 1_555 ? ? ? ? ? ? ? 1.833 ? +metalc80 metalc ? GB ZN . ZN ? ? ? 1_555 DC HOH . O ? ? J ZN 302 J HOH 270 1_555 ? ? ? ? ? ? ? 1.857 ? +metalc81 metalc ? YA ZN . ZN ? ? ? 1_555 BC HOH . O ? ? H ZN 302 H HOH 268 1_555 ? ? ? ? ? ? ? 1.936 ? +metalc82 metalc ? R ZN . ZN ? ? ? 1_555 VB HOH . O ? ? B ZN 302 B HOH 262 1_555 ? ? ? ? ? ? ? 1.941 ? +metalc83 metalc ? BA ZN . ZN ? ? ? 1_555 XB HOH . O ? ? D ZN 302 D HOH 289 1_555 ? ? ? ? ? ? ? 1.980 ? +metalc84 metalc ? TA ZN . ZN ? ? ? 1_555 AC HOH . O ? ? G ZN 302 G HOH 380 1_555 ? ? ? ? ? ? ? 1.995 ? +metalc85 metalc ? QB ZN . ZN ? ? ? 1_555 FC HOH . O ? ? L ZN 302 L HOH 453 1_555 ? ? ? ? ? ? ? 1.996 ? +metalc86 metalc ? N ZN . ZN ? ? ? 1_555 UB HOH . O ? ? A ZN 302 A HOH 775 1_555 ? ? ? ? ? ? ? 2.006 ? +metalc87 metalc ? V ZN . ZN ? ? ? 1_555 WB HOH . O ? ? C ZN 302 C HOH 332 1_555 ? ? ? ? ? ? ? 2.053 ? +metalc88 metalc ? PA ZN . ZN ? ? ? 1_555 ZB HOH . O ? ? F ZN 302 F HOH 560 1_555 ? ? ? ? ? ? ? 2.088 ? +metalc89 metalc ? CA CA . CA ? ? ? 1_555 XB HOH . O ? ? D CA 254 D HOH 1119 1_555 ? ? ? ? ? ? ? 2.241 ? +metalc90 metalc ? W CA . CA ? ? ? 1_555 WB HOH . O ? ? C CA 254 C HOH 873 1_555 ? ? ? ? ? ? ? 2.275 ? +metalc91 metalc ? JA CA . CA ? ? ? 1_555 YB HOH . O ? ? E CA 254 E HOH 1957 1_555 ? ? ? ? ? ? ? 2.292 ? +metalc92 metalc ? HB CA . CA ? ? ? 1_555 DC HOH . O ? ? J CA 254 J HOH 1881 1_555 ? ? ? ? ? ? ? 2.319 ? +metalc93 metalc ? DB CA . CA ? ? ? 1_555 CC HOH . O ? ? I CA 255 I HOH 1208 1_555 ? ? ? ? ? ? ? 2.357 ? +metalc94 metalc ? DA CA . CA ? ? ? 1_555 XB HOH . O ? ? D CA 255 D HOH 2150 1_555 ? ? ? ? ? ? ? 2.373 ? +metalc95 metalc ? SA ZN . ZN ? ? ? 1_555 AC HOH . O ? ? G ZN 301 G HOH 380 1_555 ? ? ? ? ? ? ? 2.378 ? +metalc96 metalc ? U ZN . ZN ? ? ? 1_555 WB HOH . O ? ? C ZN 301 C HOH 332 1_555 ? ? ? ? ? ? ? 2.397 ? +metalc97 metalc ? AB ZN . ZN ? ? ? 1_555 CC HOH . O ? ? I ZN 301 I HOH 462 1_555 ? ? ? ? ? ? ? 2.408 ? +metalc98 metalc ? O CA . CA ? ? ? 1_555 UB HOH . O ? ? A CA 254 A HOH 1795 1_555 ? ? ? ? ? ? ? 2.417 ? +metalc99 metalc ? AA ZN . ZN ? ? ? 1_555 XB HOH . O ? ? D ZN 301 D HOH 289 1_555 ? ? ? ? ? ? ? 2.433 ? +metalc100 metalc ? CA CA . CA ? ? ? 1_555 XB HOH . O ? ? D CA 254 D HOH 1188 1_555 ? ? ? ? ? ? ? 2.448 ? +metalc101 metalc ? CB CA . CA ? ? ? 1_555 CC HOH . O ? ? I CA 254 I HOH 1420 1_555 ? ? ? ? ? ? ? 2.456 ? +metalc102 metalc ? OA ZN . ZN ? ? ? 1_555 ZB HOH . O ? ? F ZN 301 F HOH 560 1_555 ? ? ? ? ? ? ? 2.467 ? +metalc103 metalc ? HA ZN . ZN ? ? ? 1_555 YB HOH . O ? ? E ZN 301 E HOH 445 1_555 ? ? ? ? ? ? ? 2.476 ? +metalc104 metalc ? FB ZN . ZN ? ? ? 1_555 DC HOH . O ? ? J ZN 301 J HOH 270 1_555 ? ? ? ? ? ? ? 2.478 ? +metalc105 metalc ? CA CA . CA ? ? ? 1_555 XB HOH . O ? ? D CA 254 D HOH 1752 1_555 ? ? ? ? ? ? ? 2.497 ? +metalc106 metalc ? KA CA . CA ? ? ? 1_555 YB HOH . O ? ? E CA 255 E HOH 1249 1_555 ? ? ? ? ? ? ? 2.502 ? +metalc107 metalc ? CA CA . CA ? ? ? 1_555 XB HOH . O ? ? D CA 254 D HOH 1204 1_555 ? ? ? ? ? ? ? 2.502 ? +metalc108 metalc ? KA CA . CA ? ? ? 1_555 YB HOH . O ? ? E CA 255 E HOH 999 1_555 ? ? ? ? ? ? ? 2.510 ? +metalc109 metalc ? M ZN . ZN ? ? ? 1_555 UB HOH . O ? ? A ZN 301 A HOH 775 1_555 ? ? ? ? ? ? ? 2.514 ? +metalc110 metalc ? HB CA . CA ? ? ? 1_555 DC HOH . O ? ? J CA 254 J HOH 605 1_555 ? ? ? ? ? ? ? 2.515 ? +metalc111 metalc ? AA ZN . ZN ? ? ? 1_555 XB HOH . O ? ? D ZN 301 D HOH 292 1_555 ? ? ? ? ? ? ? 2.521 ? +metalc112 metalc ? KA CA . CA ? ? ? 1_555 XB HOH . O ? ? E CA 255 D HOH 283 1_555 ? ? ? ? ? ? ? 2.522 ? +metalc113 metalc ? KB ZN . ZN ? ? ? 1_555 EC HOH . O ? ? K ZN 301 K HOH 524 1_555 ? ? ? ? ? ? ? 2.534 ? +metalc114 metalc ? CB CA . CA ? ? ? 1_555 CC HOH . O ? ? I CA 254 I HOH 698 1_555 ? ? ? ? ? ? ? 2.536 ? +metalc115 metalc ? DA CA . CA ? ? ? 1_555 YB HOH . O ? ? D CA 255 E HOH 2143 1_555 ? ? ? ? ? ? ? 2.552 ? +metalc116 metalc ? KB ZN . ZN ? ? ? 1_555 EC HOH . O ? ? K ZN 301 K HOH 549 1_555 ? ? ? ? ? ? ? 2.555 ? +metalc117 metalc ? XA ZN . ZN ? ? ? 1_555 BC HOH . O ? ? H ZN 301 H HOH 268 1_555 ? ? ? ? ? ? ? 2.562 ? +metalc118 metalc ? O CA . CA ? ? ? 1_555 ZB HOH . O ? ? A CA 254 F HOH 1824 1_555 ? ? ? ? ? ? ? 2.564 ? +metalc119 metalc ? CB CA . CA ? ? ? 1_555 CC HOH . O ? ? I CA 254 I HOH 1560 1_555 ? ? ? ? ? ? ? 2.570 ? +metalc120 metalc ? CB CA . CA ? ? ? 1_555 CC HOH . O ? ? I CA 254 I HOH 506 1_555 ? ? ? ? ? ? ? 2.577 ? +metalc121 metalc ? RB CA . CA ? ? ? 1_555 FC HOH . O ? ? L CA 254 L HOH 1622 1_555 ? ? ? ? ? ? ? 2.579 ? +metalc122 metalc ? Q ZN . ZN ? ? ? 1_555 VB HOH . O ? ? B ZN 301 B HOH 262 1_555 ? ? ? ? ? ? ? 2.581 ? +metalc123 metalc ? AB ZN . ZN ? ? ? 1_555 CC HOH . O ? ? I ZN 301 I HOH 508 1_555 ? ? ? ? ? ? ? 2.604 ? +metalc124 metalc ? SA ZN . ZN ? ? ? 1_555 AC HOH . O ? ? G ZN 301 G HOH 613 1_555 ? ? ? ? ? ? ? 2.608 ? +metalc125 metalc ? PB ZN . ZN ? ? ? 1_555 FC HOH . O ? ? L ZN 301 L HOH 453 1_555 ? ? ? ? ? ? ? 2.609 ? +metalc126 metalc ? UA CA . CA ? ? ? 1_555 AC HOH . O ? ? G CA 254 G HOH 1037 1_555 ? ? ? ? ? ? ? 2.611 ? +metalc127 metalc ? QA CA . CA ? ? ? 1_555 ZB HOH . O ? ? F CA 254 F HOH 581 1_555 ? ? ? ? ? ? ? 2.625 ? +metalc128 metalc ? CB CA . CA ? ? ? 1_555 CC HOH . O ? ? I CA 254 I HOH 1055 1_555 ? ? ? ? ? ? ? 2.631 ? +metalc129 metalc ? UA CA . CA ? ? ? 1_555 FC HOH . O ? ? G CA 254 L HOH 377 1_555 ? ? ? ? ? ? ? 2.637 ? +metalc130 metalc ? RB CA . CA ? ? ? 1_555 FC HOH . O ? ? L CA 254 L HOH 321 1_555 ? ? ? ? ? ? ? 2.638 ? +metalc131 metalc ? W CA . CA ? ? ? 1_555 WB HOH . O ? ? C CA 254 C HOH 1850 1_555 ? ? ? ? ? ? ? 2.639 ? +metalc132 metalc ? KA CA . CA ? ? ? 1_555 YB HOH . O ? ? E CA 255 E HOH 1756 1_555 ? ? ? ? ? ? ? 2.648 ? +metalc133 metalc ? DB CA . CA ? ? ? 1_555 CC HOH . O ? ? I CA 255 I HOH 2104 1_555 ? ? ? ? ? ? ? 2.654 ? +metalc134 metalc ? PB ZN . ZN ? ? ? 1_555 FC HOH . O ? ? L ZN 301 L HOH 1225 1_555 ? ? ? ? ? ? ? 2.664 ? +metalc135 metalc ? UA CA . CA ? ? ? 1_555 FC HOH . O ? ? G CA 254 L HOH 1822 1_555 ? ? ? ? ? ? ? 2.665 ? +metalc136 metalc ? DB CA . CA ? ? ? 1_555 CC HOH . O ? ? I CA 255 I HOH 260 1_555 ? ? ? ? ? ? ? 2.667 ? +metalc137 metalc ? XA ZN . ZN ? ? ? 1_555 BC HOH . O ? ? H ZN 301 H HOH 1257 1_555 ? ? ? ? ? ? ? 2.674 ? +metalc138 metalc ? JA CA . CA ? ? ? 1_555 YB HOH . O ? ? E CA 254 E HOH 887 1_555 ? ? ? ? ? ? ? 2.675 ? +metalc139 metalc ? U ZN . ZN ? ? ? 1_555 WB HOH . O ? ? C ZN 301 C HOH 478 1_555 ? ? ? ? ? ? ? 2.675 ? +metalc140 metalc ? HB CA . CA ? ? ? 1_555 DC HOH . O ? ? J CA 254 J HOH 1667 1_555 ? ? ? ? ? ? ? 2.679 ? +metalc141 metalc ? UA CA . CA ? ? ? 1_555 AC HOH . O ? ? G CA 254 G HOH 1326 1_555 ? ? ? ? ? ? ? 2.680 ? +metalc142 metalc ? CA CA . CA ? ? ? 1_555 XB HOH . O ? ? D CA 254 D HOH 1232 1_555 ? ? ? ? ? ? ? 2.680 ? +metalc143 metalc ? DA CA . CA ? ? ? 1_555 YB HOH . O ? ? D CA 255 E HOH 270 1_555 ? ? ? ? ? ? ? 2.680 ? +metalc144 metalc ? FB ZN . ZN ? ? ? 1_555 DC HOH . O ? ? J ZN 301 J HOH 1099 1_555 ? ? ? ? ? ? ? 2.684 ? +metalc145 metalc ? OA ZN . ZN ? ? ? 1_555 ZB HOH . O ? ? F ZN 301 F HOH 1337 1_555 ? ? ? ? ? ? ? 2.697 ? +metalc146 metalc ? JA CA . CA ? ? ? 1_555 YB HOH . O ? ? E CA 254 E HOH 1669 1_555 ? ? ? ? ? ? ? 2.722 ? +metalc147 metalc ? UA CA . CA ? ? ? 1_555 FC HOH . O ? ? G CA 254 L HOH 1567 1_555 ? ? ? ? ? ? ? 2.771 ? +metalc148 metalc ? O CA . CA ? ? ? 1_555 UB HOH . O ? ? A CA 254 A HOH 1920 1_555 ? ? ? ? ? ? ? 2.780 ? +metalc149 metalc ? DA CA . CA ? ? ? 1_555 XB HOH . O ? ? D CA 255 D HOH 1809 1_555 ? ? ? ? ? ? ? 2.782 ? +metalc150 metalc ? W CA . CA ? ? ? 1_555 WB HOH . O ? ? C CA 254 C HOH 1942 1_555 ? ? ? ? ? ? ? 2.784 ? +metalc151 metalc ? UA CA . CA ? ? ? 1_555 AC HOH . O ? ? G CA 254 G HOH 2098 1_555 ? ? ? ? ? ? ? 2.784 ? +metalc152 metalc ? RB CA . CA ? ? ? 1_555 FC HOH . O ? ? L CA 254 L HOH 1472 1_555 ? ? ? ? ? ? ? 2.785 ? +metalc153 metalc ? HB CA . CA ? ? ? 1_555 DC HOH . O ? ? J CA 254 J HOH 1938 1_555 ? ? ? ? ? ? ? 2.786 ? +metalc154 metalc ? O CA . CA ? ? ? 1_555 UB HOH . O ? ? A CA 254 A HOH 434 1_555 ? ? ? ? ? ? ? 2.791 ? +metalc155 metalc ? W CA . CA ? ? ? 1_555 WB HOH . O ? ? C CA 254 C HOH 290 1_555 ? ? ? ? ? ? ? 2.804 ? +metalc156 metalc ? HB CA . CA ? ? ? 1_555 DC HOH . O ? ? J CA 254 J HOH 1568 1_555 ? ? ? ? ? ? ? 2.804 ? +metalc157 metalc ? KA CA . CA ? ? ? 1_555 XB HOH . O ? ? E CA 255 D HOH 1736 1_555 ? ? ? ? ? ? ? 2.808 ? +metalc158 metalc ? W CA . CA ? ? ? 1_555 WB HOH . O ? ? C CA 254 C HOH 597 1_555 ? ? ? ? ? ? ? 2.809 ? +metalc159 metalc ? CB CA . CA ? ? ? 1_555 CC HOH . O ? ? I CA 254 I HOH 477 1_555 ? ? ? ? ? ? ? 2.816 ? +metalc160 metalc ? HB CA . CA ? ? ? 1_555 DC HOH . O ? ? J CA 254 J HOH 291 1_555 ? ? ? ? ? ? ? 2.823 ? +metalc161 metalc ? JA CA . CA ? ? ? 1_555 YB HOH . O ? ? E CA 254 E HOH 1371 1_555 ? ? ? ? ? ? ? 2.866 ? +metalc162 metalc ? DA CA . CA ? ? ? 1_555 XB HOH . O ? ? D CA 255 D HOH 1045 1_555 ? ? ? ? ? ? ? 2.878 ? +metalc163 metalc ? KA CA . CA ? ? ? 1_555 YB HOH . O ? ? E CA 255 E HOH 1533 1_555 ? ? ? ? ? ? ? 2.889 ? +metalc164 metalc ? UA CA . CA ? ? ? 1_555 AC HOH . O ? ? G CA 254 G HOH 2063 1_555 ? ? ? ? ? ? ? 2.959 ? +metalc165 metalc ? DB CA . CA ? ? ? 1_555 CC HOH . O ? ? I CA 255 I HOH 1476 1_555 ? ? ? ? ? ? ? 2.998 ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +covale ? ? +metalc ? ? +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 4 ? +B ? 2 ? +C ? 4 ? +D ? 4 ? +E ? 2 ? +F ? 4 ? +G ? 4 ? +H ? 4 ? +I ? 4 ? +J ? 4 ? +K ? 4 ? +L ? 4 ? +M ? 4 ? +N ? 4 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? parallel +A 2 3 ? parallel +A 3 4 ? parallel +B 1 2 ? anti-parallel +C 1 2 ? parallel +C 2 3 ? parallel +C 3 4 ? parallel +D 1 2 ? parallel +D 2 3 ? parallel +D 3 4 ? parallel +E 1 2 ? anti-parallel +F 1 2 ? parallel +F 2 3 ? parallel +F 3 4 ? parallel +G 1 2 ? parallel +G 2 3 ? parallel +G 3 4 ? parallel +H 1 2 ? parallel +H 2 3 ? parallel +H 3 4 ? parallel +I 1 2 ? parallel +I 2 3 ? parallel +I 3 4 ? parallel +J 1 2 ? parallel +J 2 3 ? parallel +J 3 4 ? parallel +K 1 2 ? parallel +K 2 3 ? parallel +K 3 4 ? parallel +L 1 2 ? parallel +L 2 3 ? parallel +L 3 4 ? parallel +M 1 2 ? parallel +M 2 3 ? parallel +M 3 4 ? parallel +N 1 2 ? parallel +N 2 3 ? parallel +N 3 4 ? parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.symmetry +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 CYS A 66 ? VAL A 68 ? ? CYS A 65 VAL A 67 +A 2 VAL A 23 ? TRP A 28 ? ? VAL A 22 TRP A 27 +A 3 LYS A 113 ? SER A 118 ? ? LYS A 112 SER A 117 +A 4 LEU A 140 ? ASN A 145 ? ? LEU A 139 ASN A 144 +B 1 ASP A 161 ? HIS A 163 ? ? ASP A 160 HIS A 162 +B 2 VAL A 218 ? GLY A 219 ? ? VAL A 217 GLY A 218 +C 1 CYS B 66 ? VAL B 68 ? ? CYS B 65 VAL B 67 +C 2 VAL B 23 ? TRP B 28 ? ? VAL B 22 TRP B 27 +C 3 LYS B 113 ? SER B 118 ? ? LYS B 112 SER B 117 +C 4 LEU B 140 ? ASN B 145 ? ? LEU B 139 ASN B 144 +D 1 CYS C 66 ? VAL C 68 ? ? CYS C 65 VAL C 67 +D 2 VAL C 23 ? TRP C 28 ? ? VAL C 22 TRP C 27 +D 3 LYS C 113 ? SER C 118 ? ? LYS C 112 SER C 117 +D 4 LEU C 140 ? ASN C 145 ? ? LEU C 139 ASN C 144 +E 1 ASP C 161 ? HIS C 163 ? ? ASP C 160 HIS C 162 +E 2 VAL C 218 ? GLY C 219 ? ? VAL C 217 GLY C 218 +F 1 CYS D 66 ? VAL D 68 ? ? CYS D 65 VAL D 67 +F 2 VAL D 23 ? TRP D 28 ? ? VAL D 22 TRP D 27 +F 3 LYS D 113 ? SER D 118 ? ? LYS D 112 SER D 117 +F 4 LEU D 140 ? ASN D 145 ? ? LEU D 139 ASN D 144 +G 1 CYS E 66 ? VAL E 68 ? ? CYS E 65 VAL E 67 +G 2 VAL E 23 ? TRP E 28 ? ? VAL E 22 TRP E 27 +G 3 LYS E 113 ? SER E 118 ? ? LYS E 112 SER E 117 +G 4 LEU E 140 ? ASN E 145 ? ? LEU E 139 ASN E 144 +H 1 CYS F 66 ? VAL F 68 ? ? CYS F 65 VAL F 67 +H 2 VAL F 23 ? TRP F 28 ? ? VAL F 22 TRP F 27 +H 3 LYS F 113 ? SER F 118 ? ? LYS F 112 SER F 117 +H 4 LEU F 140 ? ASN F 145 ? ? LEU F 139 ASN F 144 +I 1 CYS G 66 ? VAL G 68 ? ? CYS G 65 VAL G 67 +I 2 VAL G 23 ? TRP G 28 ? ? VAL G 22 TRP G 27 +I 3 LYS G 113 ? SER G 118 ? ? LYS G 112 SER G 117 +I 4 LEU G 140 ? ASN G 145 ? ? LEU G 139 ASN G 144 +J 1 CYS H 66 ? VAL H 68 ? ? CYS H 65 VAL H 67 +J 2 VAL H 23 ? TRP H 28 ? ? VAL H 22 TRP H 27 +J 3 LYS H 113 ? SER H 118 ? ? LYS H 112 SER H 117 +J 4 LEU H 140 ? ASN H 145 ? ? LEU H 139 ASN H 144 +K 1 CYS I 66 ? VAL I 68 ? ? CYS I 65 VAL I 67 +K 2 VAL I 23 ? TRP I 28 ? ? VAL I 22 TRP I 27 +K 3 LYS I 113 ? SER I 118 ? ? LYS I 112 SER I 117 +K 4 LEU I 140 ? ASN I 145 ? ? LEU I 139 ASN I 144 +L 1 CYS J 66 ? VAL J 68 ? ? CYS J 65 VAL J 67 +L 2 VAL J 23 ? TRP J 28 ? ? VAL J 22 TRP J 27 +L 3 LYS J 113 ? SER J 118 ? ? LYS J 112 SER J 117 +L 4 LEU J 140 ? ASN J 145 ? ? LEU J 139 ASN J 144 +M 1 CYS K 66 ? VAL K 68 ? ? CYS K 65 VAL K 67 +M 2 VAL K 23 ? TRP K 28 ? ? VAL K 22 TRP K 27 +M 3 LYS K 113 ? SER K 118 ? ? LYS K 112 SER K 117 +M 4 LEU K 140 ? ASN K 145 ? ? LEU K 139 ASN K 144 +N 1 CYS L 66 ? VAL L 68 ? ? CYS L 65 VAL L 67 +N 2 VAL L 23 ? TRP L 28 ? ? VAL L 22 TRP L 27 +N 3 LYS L 113 ? SER L 118 ? ? LYS L 112 SER L 117 +N 4 LEU L 140 ? ASN L 145 ? ? LEU L 139 ASN L 144 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O MSE A 67 ? O MSE A 66 N ILE A 25 ? N ILE A 24 +A 2 3 N LEU A 26 ? N LEU A 25 O LEU A 115 ? O LEU A 114 +A 3 4 N SER A 118 ? N SER A 117 O ALA A 144 ? O ALA A 143 +B 1 2 N HIS A 163 ? N HIS A 162 O VAL A 218 ? O VAL A 217 +C 1 2 O MSE B 67 ? O MSE B 66 N ILE B 25 ? N ILE B 24 +C 2 3 N LEU B 26 ? N LEU B 25 O LEU B 115 ? O LEU B 114 +C 3 4 N ILE B 116 ? N ILE B 115 O ALA B 142 ? O ALA B 141 +D 1 2 O MSE C 67 ? O MSE C 66 N ILE C 25 ? N ILE C 24 +D 2 3 N LEU C 26 ? N LEU C 25 O LEU C 115 ? O LEU C 114 +D 3 4 N SER C 118 ? N SER C 117 O ALA C 144 ? O ALA C 143 +E 1 2 N HIS C 163 ? N HIS C 162 O VAL C 218 ? O VAL C 217 +F 1 2 O MSE D 67 ? O MSE D 66 N ILE D 25 ? N ILE D 24 +F 2 3 N LEU D 26 ? N LEU D 25 O LEU D 115 ? O LEU D 114 +F 3 4 N SER D 118 ? N SER D 117 O ALA D 144 ? O ALA D 143 +G 1 2 O MSE E 67 ? O MSE E 66 N ILE E 25 ? N ILE E 24 +G 2 3 N LEU E 26 ? N LEU E 25 O LEU E 117 ? O LEU E 116 +G 3 4 N SER E 118 ? N SER E 117 O ALA E 144 ? O ALA E 143 +H 1 2 O MSE F 67 ? O MSE F 66 N ILE F 25 ? N ILE F 24 +H 2 3 N LEU F 26 ? N LEU F 25 O LEU F 115 ? O LEU F 114 +H 3 4 N SER F 118 ? N SER F 117 O ALA F 144 ? O ALA F 143 +I 1 2 O MSE G 67 ? O MSE G 66 N ILE G 25 ? N ILE G 24 +I 2 3 N LEU G 26 ? N LEU G 25 O LEU G 115 ? O LEU G 114 +I 3 4 N ILE G 116 ? N ILE G 115 O ALA G 142 ? O ALA G 141 +J 1 2 O MSE H 67 ? O MSE H 66 N ILE H 25 ? N ILE H 24 +J 2 3 N LEU H 26 ? N LEU H 25 O LEU H 115 ? O LEU H 114 +J 3 4 N ILE H 116 ? N ILE H 115 O ALA H 142 ? O ALA H 141 +K 1 2 O MSE I 67 ? O MSE I 66 N ILE I 25 ? N ILE I 24 +K 2 3 N LEU I 26 ? N LEU I 25 O LEU I 115 ? O LEU I 114 +K 3 4 N ILE I 116 ? N ILE I 115 O ALA I 142 ? O ALA I 141 +L 1 2 O MSE J 67 ? O MSE J 66 N ILE J 25 ? N ILE J 24 +L 2 3 N LEU J 26 ? N LEU J 25 O LEU J 115 ? O LEU J 114 +L 3 4 N SER J 118 ? N SER J 117 O ALA J 144 ? O ALA J 143 +M 1 2 O MSE K 67 ? O MSE K 66 N ILE K 25 ? N ILE K 24 +M 2 3 N LEU K 26 ? N LEU K 25 O LEU K 115 ? O LEU K 114 +M 3 4 N ILE K 116 ? N ILE K 115 O ALA K 142 ? O ALA K 141 +N 1 2 O MSE L 67 ? O MSE L 66 N ILE L 25 ? N ILE L 24 +N 2 3 N LEU L 26 ? N LEU L 25 O LEU L 115 ? O LEU L 114 +N 3 4 N ILE L 116 ? N ILE L 115 O ALA L 142 ? O ALA L 141 +# +loop_ +_struct_site.id +_struct_site.details +_struct_site.pdbx_evidence_code +AC1 'BINDING SITE FOR RESIDUE ZN A 301' SOFTWARE +AC2 'BINDING SITE FOR RESIDUE ZN A 302' SOFTWARE +AC3 'BINDING SITE FOR RESIDUE CA A 254' SOFTWARE +AC4 'BINDING SITE FOR RESIDUE CL A 255' SOFTWARE +AC5 'BINDING SITE FOR RESIDUE ZN B 301' SOFTWARE +AC6 'BINDING SITE FOR RESIDUE ZN B 302' SOFTWARE +AC7 'BINDING SITE FOR RESIDUE EDO B 254' SOFTWARE +AC8 'BINDING SITE FOR RESIDUE CL B 255' SOFTWARE +AC9 'BINDING SITE FOR RESIDUE ZN C 301' SOFTWARE +BC1 'BINDING SITE FOR RESIDUE ZN C 302' SOFTWARE +BC2 'BINDING SITE FOR RESIDUE CA C 254' SOFTWARE +BC3 'BINDING SITE FOR RESIDUE EDO C 255' SOFTWARE +BC4 'BINDING SITE FOR RESIDUE EDO C 256' SOFTWARE +BC5 'BINDING SITE FOR RESIDUE CL C 257' SOFTWARE +BC6 'BINDING SITE FOR RESIDUE ZN D 301' SOFTWARE +BC7 'BINDING SITE FOR RESIDUE ZN D 302' SOFTWARE +BC8 'BINDING SITE FOR RESIDUE CA D 254' SOFTWARE +BC9 'BINDING SITE FOR RESIDUE CA D 255' SOFTWARE +CC1 'BINDING SITE FOR RESIDUE EDO D 256' SOFTWARE +CC2 'BINDING SITE FOR RESIDUE EDO D 257' SOFTWARE +CC3 'BINDING SITE FOR RESIDUE CL D 258' SOFTWARE +CC4 'BINDING SITE FOR RESIDUE ZN E 301' SOFTWARE +CC5 'BINDING SITE FOR RESIDUE ZN E 302' SOFTWARE +CC6 'BINDING SITE FOR RESIDUE CA E 254' SOFTWARE +CC7 'BINDING SITE FOR RESIDUE CA E 255' SOFTWARE +CC8 'BINDING SITE FOR RESIDUE EDO E 256' SOFTWARE +CC9 'BINDING SITE FOR RESIDUE CL E 257' SOFTWARE +DC1 'BINDING SITE FOR RESIDUE CL E 258' SOFTWARE +DC2 'BINDING SITE FOR RESIDUE ZN F 301' SOFTWARE +DC3 'BINDING SITE FOR RESIDUE ZN F 302' SOFTWARE +DC4 'BINDING SITE FOR RESIDUE CA F 254' SOFTWARE +DC5 'BINDING SITE FOR RESIDUE CL F 255' SOFTWARE +DC6 'BINDING SITE FOR RESIDUE ZN G 301' SOFTWARE +DC7 'BINDING SITE FOR RESIDUE ZN G 302' SOFTWARE +DC8 'BINDING SITE FOR RESIDUE CA G 254' SOFTWARE +DC9 'BINDING SITE FOR RESIDUE EDO G 255' SOFTWARE +EC1 'BINDING SITE FOR RESIDUE CL G 256' SOFTWARE +EC2 'BINDING SITE FOR RESIDUE ZN H 301' SOFTWARE +EC3 'BINDING SITE FOR RESIDUE ZN H 302' SOFTWARE +EC4 'BINDING SITE FOR RESIDUE CL H 254' SOFTWARE +EC5 'BINDING SITE FOR RESIDUE ZN I 301' SOFTWARE +EC6 'BINDING SITE FOR RESIDUE ZN I 302' SOFTWARE +EC7 'BINDING SITE FOR RESIDUE CA I 254' SOFTWARE +EC8 'BINDING SITE FOR RESIDUE CA I 255' SOFTWARE +EC9 'BINDING SITE FOR RESIDUE CL I 256' SOFTWARE +FC1 'BINDING SITE FOR RESIDUE ZN J 301' SOFTWARE +FC2 'BINDING SITE FOR RESIDUE ZN J 302' SOFTWARE +FC3 'BINDING SITE FOR RESIDUE CA J 254' SOFTWARE +FC4 'BINDING SITE FOR RESIDUE EDO J 255' SOFTWARE +FC5 'BINDING SITE FOR RESIDUE CL J 256' SOFTWARE +FC6 'BINDING SITE FOR RESIDUE ZN K 301' SOFTWARE +FC7 'BINDING SITE FOR RESIDUE ZN K 302' SOFTWARE +FC8 'BINDING SITE FOR RESIDUE EDO K 254' SOFTWARE +FC9 'BINDING SITE FOR RESIDUE EDO K 255' SOFTWARE +GC1 'BINDING SITE FOR RESIDUE CL K 256' SOFTWARE +GC2 'BINDING SITE FOR RESIDUE ZN L 301' SOFTWARE +GC3 'BINDING SITE FOR RESIDUE ZN L 302' SOFTWARE +GC4 'BINDING SITE FOR RESIDUE CA L 254' SOFTWARE +GC5 'BINDING SITE FOR RESIDUE EDO L 255' SOFTWARE +GC6 'BINDING SITE FOR RESIDUE CL L 256' SOFTWARE +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 6 GLU A 32 ? GLU A 31 . . 1_555 ? +2 AC1 6 ASP A 43 ? ASP A 42 . . 1_555 ? +3 AC1 6 HIS A 120 ? HIS A 119 . . 1_555 ? +4 AC1 6 ZN N . ? ZN A 302 . . 1_555 ? +5 AC1 6 HOH UB . ? HOH A 454 . . 1_555 ? +6 AC1 6 HOH UB . ? HOH A 775 . . 1_555 ? +7 AC2 5 HIS A 34 ? HIS A 33 . . 1_555 ? +8 AC2 5 ASP A 43 ? ASP A 42 . . 1_555 ? +9 AC2 5 GLU A 168 ? GLU A 167 . . 1_555 ? +10 AC2 5 ZN M . ? ZN A 301 . . 1_555 ? +11 AC2 5 HOH UB . ? HOH A 775 . . 1_555 ? +12 AC3 4 HOH UB . ? HOH A 434 . . 1_555 ? +13 AC3 4 HOH UB . ? HOH A 1795 . . 1_555 ? +14 AC3 4 HOH UB . ? HOH A 1920 . . 1_555 ? +15 AC3 4 HOH ZB . ? HOH F 1824 . . 1_555 ? +16 AC4 2 ASN A 78 ? ASN A 77 . . 1_555 ? +17 AC4 2 ARG A 207 ? ARG A 206 . . 1_555 ? +18 AC5 6 GLU B 32 ? GLU B 31 . . 1_555 ? +19 AC5 6 ASP B 43 ? ASP B 42 . . 1_555 ? +20 AC5 6 HIS B 120 ? HIS B 119 . . 1_555 ? +21 AC5 6 HOH VB . ? HOH B 262 . . 1_555 ? +22 AC5 6 ZN R . ? ZN B 302 . . 1_555 ? +23 AC5 6 HOH VB . ? HOH B 1005 . . 1_555 ? +24 AC6 5 HIS B 34 ? HIS B 33 . . 1_555 ? +25 AC6 5 ASP B 43 ? ASP B 42 . . 1_555 ? +26 AC6 5 GLU B 168 ? GLU B 167 . . 1_555 ? +27 AC6 5 HOH VB . ? HOH B 262 . . 1_555 ? +28 AC6 5 ZN Q . ? ZN B 301 . . 1_555 ? +29 AC7 5 THR A 31 ? THR A 30 . . 1_555 ? +30 AC7 5 PRO A 73 ? PRO A 72 . . 1_555 ? +31 AC7 5 LEU B 26 ? LEU B 25 . . 1_555 ? +32 AC7 5 MSE B 69 ? MSE B 68 . . 1_555 ? +33 AC7 5 PRO B 70 ? PRO B 69 . . 1_555 ? +34 AC8 2 ASN B 78 ? ASN B 77 . . 1_555 ? +35 AC8 2 ARG B 207 ? ARG B 206 . . 1_555 ? +36 AC9 6 GLU C 32 ? GLU C 31 . . 1_555 ? +37 AC9 6 ASP C 43 ? ASP C 42 . . 1_555 ? +38 AC9 6 HIS C 120 ? HIS C 119 . . 1_555 ? +39 AC9 6 ZN V . ? ZN C 302 . . 1_555 ? +40 AC9 6 HOH WB . ? HOH C 332 . . 1_555 ? +41 AC9 6 HOH WB . ? HOH C 478 . . 1_555 ? +42 BC1 5 HIS C 34 ? HIS C 33 . . 1_555 ? +43 BC1 5 ASP C 43 ? ASP C 42 . . 1_555 ? +44 BC1 5 GLU C 168 ? GLU C 167 . . 1_555 ? +45 BC1 5 ZN U . ? ZN C 301 . . 1_555 ? +46 BC1 5 HOH WB . ? HOH C 332 . . 1_555 ? +47 BC2 6 HOH VB . ? HOH B 2105 . . 1_555 ? +48 BC2 6 HOH WB . ? HOH C 290 . . 1_555 ? +49 BC2 6 HOH WB . ? HOH C 597 . . 1_555 ? +50 BC2 6 HOH WB . ? HOH C 873 . . 1_555 ? +51 BC2 6 HOH WB . ? HOH C 1850 . . 1_555 ? +52 BC2 6 HOH WB . ? HOH C 1942 . . 1_555 ? +53 BC3 5 GLY C 80 ? GLY C 79 . . 1_555 ? +54 BC3 5 GLN C 81 ? GLN C 80 . . 1_555 ? +55 BC3 5 ARG C 82 ? ARG C 81 . . 1_555 ? +56 BC3 5 GLU C 83 ? GLU C 82 . . 1_555 ? +57 BC3 5 HOH WB . ? HOH C 1352 . . 1_555 ? +58 BC4 6 LEU C 26 ? LEU C 25 . . 1_555 ? +59 BC4 6 MSE C 69 ? MSE C 68 . . 1_555 ? +60 BC4 6 PRO C 70 ? PRO C 69 . . 1_555 ? +61 BC4 6 THR D 31 ? THR D 30 . . 1_555 ? +62 BC4 6 PRO D 73 ? PRO D 72 . . 1_555 ? +63 BC4 6 PHE D 74 ? PHE D 73 . . 1_555 ? +64 BC5 2 ASN C 78 ? ASN C 77 . . 1_555 ? +65 BC5 2 ARG C 207 ? ARG C 206 . . 1_555 ? +66 BC6 7 GLU D 32 ? GLU D 31 . . 1_555 ? +67 BC6 7 ASP D 43 ? ASP D 42 . . 1_555 ? +68 BC6 7 HIS D 120 ? HIS D 119 . . 1_555 ? +69 BC6 7 HOH XB . ? HOH D 289 . . 1_555 ? +70 BC6 7 HOH XB . ? HOH D 292 . . 1_555 ? +71 BC6 7 HOH XB . ? HOH D 295 . . 1_555 ? +72 BC6 7 ZN BA . ? ZN D 302 . . 1_555 ? +73 BC7 5 HIS D 34 ? HIS D 33 . . 1_555 ? +74 BC7 5 ASP D 43 ? ASP D 42 . . 1_555 ? +75 BC7 5 GLU D 168 ? GLU D 167 . . 1_555 ? +76 BC7 5 HOH XB . ? HOH D 289 . . 1_555 ? +77 BC7 5 ZN AA . ? ZN D 301 . . 1_555 ? +78 BC8 6 ASP D 210 ? ASP D 209 . . 1_555 ? +79 BC8 6 HOH XB . ? HOH D 1119 . . 1_555 ? +80 BC8 6 HOH XB . ? HOH D 1188 . . 1_555 ? +81 BC8 6 HOH XB . ? HOH D 1204 . . 1_555 ? +82 BC8 6 HOH XB . ? HOH D 1232 . . 1_555 ? +83 BC8 6 HOH XB . ? HOH D 1752 . . 1_555 ? +84 BC9 6 HOH XB . ? HOH D 1045 . . 1_555 ? +85 BC9 6 HOH XB . ? HOH D 1809 . . 1_555 ? +86 BC9 6 HOH XB . ? HOH D 2150 . . 1_555 ? +87 BC9 6 HOH YB . ? HOH E 270 . . 1_555 ? +88 BC9 6 HOH YB . ? HOH E 1781 . . 1_555 ? +89 BC9 6 HOH YB . ? HOH E 2143 . . 1_555 ? +90 CC1 4 SER D 104 ? SER D 103 . . 1_555 ? +91 CC1 4 HIS D 107 ? HIS D 106 . . 1_555 ? +92 CC1 4 VAL D 108 ? VAL D 107 . . 1_555 ? +93 CC1 4 TYR D 136 ? TYR D 135 . . 1_555 ? +94 CC2 5 VAL C 108 ? VAL C 107 . . 1_555 ? +95 CC2 5 GLY D 80 ? GLY D 79 . . 1_555 ? +96 CC2 5 ARG D 82 ? ARG D 81 . . 1_555 ? +97 CC2 5 GLU D 83 ? GLU D 82 . . 1_555 ? +98 CC2 5 HOH XB . ? HOH D 1178 . . 1_555 ? +99 CC3 2 ASN D 78 ? ASN D 77 . . 1_555 ? +100 CC3 2 ARG D 207 ? ARG D 206 . . 1_555 ? +101 CC4 7 GLU E 32 ? GLU E 31 . . 1_555 ? +102 CC4 7 ASP E 43 ? ASP E 42 . . 1_555 ? +103 CC4 7 HIS E 120 ? HIS E 119 . . 1_555 ? +104 CC4 7 ZN IA . ? ZN E 302 . . 1_555 ? +105 CC4 7 HOH YB . ? HOH E 333 . . 1_555 ? +106 CC4 7 HOH YB . ? HOH E 445 . . 1_555 ? +107 CC4 7 HOH YB . ? HOH E 1163 . . 1_555 ? +108 CC5 5 HIS E 34 ? HIS E 33 . . 1_555 ? +109 CC5 5 ASP E 43 ? ASP E 42 . . 1_555 ? +110 CC5 5 GLU E 168 ? GLU E 167 . . 1_555 ? +111 CC5 5 ZN HA . ? ZN E 301 . . 1_555 ? +112 CC5 5 HOH YB . ? HOH E 445 . . 1_555 ? +113 CC6 6 ASP E 210 ? ASP E 209 . . 1_555 ? +114 CC6 6 HOH YB . ? HOH E 887 . . 1_555 ? +115 CC6 6 HOH YB . ? HOH E 1371 . . 1_555 ? +116 CC6 6 HOH YB . ? HOH E 1525 . . 1_655 ? +117 CC6 6 HOH YB . ? HOH E 1669 . . 1_555 ? +118 CC6 6 HOH YB . ? HOH E 1957 . . 1_555 ? +119 CC7 6 HOH XB . ? HOH D 283 . . 1_555 ? +120 CC7 6 HOH XB . ? HOH D 1736 . . 1_555 ? +121 CC7 6 HOH YB . ? HOH E 999 . . 1_555 ? +122 CC7 6 HOH YB . ? HOH E 1249 . . 1_555 ? +123 CC7 6 HOH YB . ? HOH E 1533 . . 1_555 ? +124 CC7 6 HOH YB . ? HOH E 1756 . . 1_555 ? +125 CC8 5 LEU E 26 ? LEU E 25 . . 1_555 ? +126 CC8 5 MSE E 69 ? MSE E 68 . . 1_555 ? +127 CC8 5 PRO E 70 ? PRO E 69 . . 1_555 ? +128 CC8 5 THR F 31 ? THR F 30 . . 1_555 ? +129 CC8 5 PHE F 74 ? PHE F 73 . . 1_555 ? +130 CC9 4 GLY E 80 ? GLY E 79 . . 1_555 ? +131 CC9 4 ARG E 82 ? ARG E 81 . . 1_555 ? +132 CC9 4 GLU E 83 ? GLU E 82 . . 1_555 ? +133 CC9 4 HOH YB . ? HOH E 841 . . 1_555 ? +134 DC1 2 ASN E 78 ? ASN E 77 . . 1_555 ? +135 DC1 2 ARG E 207 ? ARG E 206 . . 1_555 ? +136 DC2 6 GLU F 32 ? GLU F 31 . . 1_555 ? +137 DC2 6 ASP F 43 ? ASP F 42 . . 1_555 ? +138 DC2 6 HIS F 120 ? HIS F 119 . . 1_555 ? +139 DC2 6 ZN PA . ? ZN F 302 . . 1_555 ? +140 DC2 6 HOH ZB . ? HOH F 560 . . 1_555 ? +141 DC2 6 HOH ZB . ? HOH F 1337 . . 1_555 ? +142 DC3 5 HIS F 34 ? HIS F 33 . . 1_555 ? +143 DC3 5 ASP F 43 ? ASP F 42 . . 1_555 ? +144 DC3 5 GLU F 168 ? GLU F 167 . . 1_555 ? +145 DC3 5 ZN OA . ? ZN F 301 . . 1_555 ? +146 DC3 5 HOH ZB . ? HOH F 560 . . 1_555 ? +147 DC4 2 HOH ZB . ? HOH F 581 . . 1_555 ? +148 DC4 2 HOH ZB . ? HOH F 883 . . 1_555 ? +149 DC5 2 ASN F 78 ? ASN F 77 . . 1_555 ? +150 DC5 2 ARG F 207 ? ARG F 206 . . 1_555 ? +151 DC6 7 GLU G 32 ? GLU G 31 . . 1_555 ? +152 DC6 7 ASP G 43 ? ASP G 42 . . 1_555 ? +153 DC6 7 HIS G 120 ? HIS G 119 . . 1_555 ? +154 DC6 7 ZN TA . ? ZN G 302 . . 1_555 ? +155 DC6 7 HOH AC . ? HOH G 380 . . 1_555 ? +156 DC6 7 HOH AC . ? HOH G 613 . . 1_555 ? +157 DC6 7 HOH AC . ? HOH G 754 . . 1_555 ? +158 DC7 5 HIS G 34 ? HIS G 33 . . 1_555 ? +159 DC7 5 ASP G 43 ? ASP G 42 . . 1_555 ? +160 DC7 5 GLU G 168 ? GLU G 167 . . 1_555 ? +161 DC7 5 ZN SA . ? ZN G 301 . . 1_555 ? +162 DC7 5 HOH AC . ? HOH G 380 . . 1_555 ? +163 DC8 7 HOH AC . ? HOH G 1037 . . 1_555 ? +164 DC8 7 HOH AC . ? HOH G 1326 . . 1_555 ? +165 DC8 7 HOH AC . ? HOH G 2063 . . 1_555 ? +166 DC8 7 HOH AC . ? HOH G 2098 . . 1_555 ? +167 DC8 7 HOH FC . ? HOH L 377 . . 1_555 ? +168 DC8 7 HOH FC . ? HOH L 1567 . . 1_555 ? +169 DC8 7 HOH FC . ? HOH L 1822 . . 1_555 ? +170 DC9 6 LEU G 26 ? LEU G 25 . . 1_555 ? +171 DC9 6 MSE G 69 ? MSE G 68 . . 1_555 ? +172 DC9 6 PRO G 70 ? PRO G 69 . . 1_555 ? +173 DC9 6 THR H 31 ? THR H 30 . . 1_555 ? +174 DC9 6 PRO H 73 ? PRO H 72 . . 1_555 ? +175 DC9 6 PHE H 74 ? PHE H 73 . . 1_555 ? +176 EC1 2 ASN G 78 ? ASN G 77 . . 1_555 ? +177 EC1 2 ARG G 207 ? ARG G 206 . . 1_555 ? +178 EC2 7 GLU H 32 ? GLU H 31 . . 1_555 ? +179 EC2 7 ASP H 43 ? ASP H 42 . . 1_555 ? +180 EC2 7 HIS H 120 ? HIS H 119 . . 1_555 ? +181 EC2 7 HOH BC . ? HOH H 268 . . 1_555 ? +182 EC2 7 ZN YA . ? ZN H 302 . . 1_555 ? +183 EC2 7 HOH BC . ? HOH H 486 . . 1_555 ? +184 EC2 7 HOH BC . ? HOH H 1257 . . 1_555 ? +185 EC3 5 HIS H 34 ? HIS H 33 . . 1_555 ? +186 EC3 5 ASP H 43 ? ASP H 42 . . 1_555 ? +187 EC3 5 GLU H 168 ? GLU H 167 . . 1_555 ? +188 EC3 5 HOH BC . ? HOH H 268 . . 1_555 ? +189 EC3 5 ZN XA . ? ZN H 301 . . 1_555 ? +190 EC4 2 ASN H 78 ? ASN H 77 . . 1_555 ? +191 EC4 2 ARG H 207 ? ARG H 206 . . 1_555 ? +192 EC5 6 GLU I 32 ? GLU I 31 . . 1_555 ? +193 EC5 6 ASP I 43 ? ASP I 42 . . 1_555 ? +194 EC5 6 HIS I 120 ? HIS I 119 . . 1_555 ? +195 EC5 6 ZN BB . ? ZN I 302 . . 1_555 ? +196 EC5 6 HOH CC . ? HOH I 462 . . 1_555 ? +197 EC5 6 HOH CC . ? HOH I 508 . . 1_555 ? +198 EC6 5 HIS I 34 ? HIS I 33 . . 1_555 ? +199 EC6 5 ASP I 43 ? ASP I 42 . . 1_555 ? +200 EC6 5 GLU I 168 ? GLU I 167 . . 1_555 ? +201 EC6 5 ZN AB . ? ZN I 301 . . 1_555 ? +202 EC6 5 HOH CC . ? HOH I 462 . . 1_555 ? +203 EC7 7 ASP I 210 ? ASP I 209 . . 1_555 ? +204 EC7 7 HOH CC . ? HOH I 477 . . 1_555 ? +205 EC7 7 HOH CC . ? HOH I 506 . . 1_555 ? +206 EC7 7 HOH CC . ? HOH I 698 . . 1_555 ? +207 EC7 7 HOH CC . ? HOH I 1055 . . 1_555 ? +208 EC7 7 HOH CC . ? HOH I 1420 . . 1_555 ? +209 EC7 7 HOH CC . ? HOH I 1560 . . 1_555 ? +210 EC8 5 HOH CC . ? HOH I 260 . . 1_555 ? +211 EC8 5 HOH CC . ? HOH I 1208 . . 1_555 ? +212 EC8 5 HOH CC . ? HOH I 1476 . . 1_555 ? +213 EC8 5 HOH CC . ? HOH I 1981 . . 1_555 ? +214 EC8 5 HOH CC . ? HOH I 2104 . . 1_555 ? +215 EC9 2 ASN I 78 ? ASN I 77 . . 1_555 ? +216 EC9 2 ARG I 207 ? ARG I 206 . . 1_555 ? +217 FC1 6 GLU J 32 ? GLU J 31 . . 1_555 ? +218 FC1 6 ASP J 43 ? ASP J 42 . . 1_555 ? +219 FC1 6 HIS J 120 ? HIS J 119 . . 1_555 ? +220 FC1 6 HOH DC . ? HOH J 270 . . 1_555 ? +221 FC1 6 ZN GB . ? ZN J 302 . . 1_555 ? +222 FC1 6 HOH DC . ? HOH J 1099 . . 1_555 ? +223 FC2 5 HIS J 34 ? HIS J 33 . . 1_555 ? +224 FC2 5 ASP J 43 ? ASP J 42 . . 1_555 ? +225 FC2 5 GLU J 168 ? GLU J 167 . . 1_555 ? +226 FC2 5 HOH DC . ? HOH J 270 . . 1_555 ? +227 FC2 5 ZN FB . ? ZN J 301 . . 1_555 ? +228 FC3 6 HOH DC . ? HOH J 291 . . 1_555 ? +229 FC3 6 HOH DC . ? HOH J 605 . . 1_555 ? +230 FC3 6 HOH DC . ? HOH J 1568 . . 1_555 ? +231 FC3 6 HOH DC . ? HOH J 1667 . . 1_555 ? +232 FC3 6 HOH DC . ? HOH J 1881 . . 1_555 ? +233 FC3 6 HOH DC . ? HOH J 1938 . . 1_555 ? +234 FC4 5 THR I 31 ? THR I 30 . . 1_555 ? +235 FC4 5 PHE I 74 ? PHE I 73 . . 1_555 ? +236 FC4 5 LEU J 26 ? LEU J 25 . . 1_555 ? +237 FC4 5 PRO J 70 ? PRO J 69 . . 1_555 ? +238 FC4 5 ILE J 102 ? ILE J 101 . . 1_555 ? +239 FC5 2 ASN J 78 ? ASN J 77 . . 1_555 ? +240 FC5 2 ARG J 207 ? ARG J 206 . . 1_555 ? +241 FC6 6 GLU K 32 ? GLU K 31 . . 1_555 ? +242 FC6 6 ASP K 43 ? ASP K 42 . . 1_555 ? +243 FC6 6 HIS K 120 ? HIS K 119 . . 1_555 ? +244 FC6 6 ZN LB . ? ZN K 302 . . 1_555 ? +245 FC6 6 HOH EC . ? HOH K 524 . . 1_555 ? +246 FC6 6 HOH EC . ? HOH K 549 . . 1_555 ? +247 FC7 5 HIS K 34 ? HIS K 33 . . 1_555 ? +248 FC7 5 ASP K 43 ? ASP K 42 . . 1_555 ? +249 FC7 5 GLU K 168 ? GLU K 167 . . 1_555 ? +250 FC7 5 ZN KB . ? ZN K 301 . . 1_555 ? +251 FC7 5 HOH EC . ? HOH K 549 . . 1_555 ? +252 FC8 6 LEU K 26 ? LEU K 25 . . 1_555 ? +253 FC8 6 MSE K 69 ? MSE K 68 . . 1_555 ? +254 FC8 6 PRO K 70 ? PRO K 69 . . 1_555 ? +255 FC8 6 THR L 31 ? THR L 30 . . 1_555 ? +256 FC8 6 PRO L 73 ? PRO L 72 . . 1_555 ? +257 FC8 6 PHE L 74 ? PHE L 73 . . 1_555 ? +258 FC9 3 GLY K 80 ? GLY K 79 . . 1_555 ? +259 FC9 3 ARG K 82 ? ARG K 81 . . 1_555 ? +260 FC9 3 GLU K 83 ? GLU K 82 . . 1_555 ? +261 GC1 2 ASN K 78 ? ASN K 77 . . 1_555 ? +262 GC1 2 ARG K 207 ? ARG K 206 . . 1_555 ? +263 GC2 6 GLU L 32 ? GLU L 31 . . 1_555 ? +264 GC2 6 ASP L 43 ? ASP L 42 . . 1_555 ? +265 GC2 6 HIS L 120 ? HIS L 119 . . 1_555 ? +266 GC2 6 ZN QB . ? ZN L 302 . . 1_555 ? +267 GC2 6 HOH FC . ? HOH L 453 . . 1_555 ? +268 GC2 6 HOH FC . ? HOH L 1225 . . 1_555 ? +269 GC3 5 HIS L 34 ? HIS L 33 . . 1_555 ? +270 GC3 5 ASP L 43 ? ASP L 42 . . 1_555 ? +271 GC3 5 GLU L 168 ? GLU L 167 . . 1_555 ? +272 GC3 5 ZN PB . ? ZN L 301 . . 1_555 ? +273 GC3 5 HOH FC . ? HOH L 453 . . 1_555 ? +274 GC4 3 HOH FC . ? HOH L 321 . . 1_555 ? +275 GC4 3 HOH FC . ? HOH L 1472 . . 1_555 ? +276 GC4 3 HOH FC . ? HOH L 1622 . . 1_555 ? +277 GC5 5 THR K 31 ? THR K 30 . . 1_555 ? +278 GC5 5 PHE K 74 ? PHE K 73 . . 1_555 ? +279 GC5 5 LEU L 26 ? LEU L 25 . . 1_555 ? +280 GC5 5 MSE L 69 ? MSE L 68 . . 1_555 ? +281 GC5 5 PRO L 70 ? PRO L 69 . . 1_555 ? +282 GC6 2 ASN L 78 ? ASN L 77 . . 1_555 ? +283 GC6 2 ARG L 207 ? ARG L 206 . . 1_555 ? +# +_atom_sites.entry_id 3LUB +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 0.017887 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.001657 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.006378 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.005902 +_atom_sites.fract_transf_vector[1] 0.000000 +_atom_sites.fract_transf_vector[2] 0.000000 +_atom_sites.fract_transf_vector[3] 0.000000 +# +loop_ +_atom_type.symbol +N +C +O +SE +S +ZN +CA +CL +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x_esd +_atom_site.Cartn_y_esd +_atom_site.Cartn_z_esd +_atom_site.occupancy_esd +_atom_site.B_iso_or_equiv_esd +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . MSE A 1 2 ? 16.403 61.904 163.547 1.00 39.01 ? ? ? ? ? ? 1 MSE A N 1 +ATOM 2 C CA . MSE A 1 2 ? 15.876 60.505 163.727 1.00 40.29 ? ? ? ? ? ? 1 MSE A CA 1 +ATOM 3 C C . MSE A 1 2 ? 14.484 60.412 163.119 1.00 37.48 ? ? ? ? ? ? 1 MSE A C 1 +ATOM 4 O O . MSE A 1 2 ? 13.626 61.219 163.479 1.00 37.77 ? ? ? ? ? ? 1 MSE A O 1 +ATOM 5 C CB . MSE A 1 2 ? 15.825 60.115 165.218 1.00 40.08 ? ? ? ? ? ? 1 MSE A CB 1 +ATOM 6 C CG . MSE A 1 2 ? 14.944 58.881 165.576 1.00 42.74 ? ? ? ? ? ? 1 MSE A CG 1 +ATOM 7 SE SE . MSE A 1 2 ? 15.045 58.299 167.534 0.75 49.95 ? ? ? ? ? ? 1 MSE A SE 1 +ATOM 8 C CE . MSE A 1 2 ? 17.109 58.643 167.656 1.00 42.62 ? ? ? ? ? ? 1 MSE A CE 1 +ATOM 9 N N . ASN A 1 3 ? 14.276 59.451 162.200 1.00 33.77 ? ? ? ? ? ? 2 ASN A N 1 +ATOM 10 C CA . ASN A 1 3 ? 12.970 59.244 161.535 1.00 30.97 ? ? ? ? ? ? 2 ASN A CA 1 +ATOM 11 C C . ASN A 1 3 ? 12.546 57.775 161.576 1.00 29.91 ? ? ? ? ? ? 2 ASN A C 1 +ATOM 12 O O . ASN A 1 3 ? 12.966 56.955 160.745 1.00 27.69 ? ? ? ? ? ? 2 ASN A O 1 +ATOM 13 C CB . ASN A 1 3 ? 12.992 59.785 160.099 1.00 30.22 ? ? ? ? ? ? 2 ASN A CB 1 +ATOM 14 C CG . ASN A 1 3 ? 11.600 59.899 159.481 1.00 28.41 ? ? ? ? ? ? 2 ASN A CG 1 +ATOM 15 O OD1 . ASN A 1 3 ? 10.693 59.139 159.799 1.00 30.60 ? ? ? ? ? ? 2 ASN A OD1 1 +ATOM 16 N ND2 . ASN A 1 3 ? 11.438 60.853 158.573 1.00 25.75 ? ? ? ? ? ? 2 ASN A ND2 1 +ATOM 17 N N . LYS A 1 4 ? 11.689 57.456 162.544 1.00 28.71 ? ? ? ? ? ? 3 LYS A N 1 +ATOM 18 C CA . LYS A 1 4 ? 11.172 56.107 162.714 1.00 29.87 ? ? ? ? ? ? 3 LYS A CA 1 +ATOM 19 C C . LYS A 1 4 ? 10.232 55.674 161.601 1.00 28.51 ? ? ? ? ? ? 3 LYS A C 1 +ATOM 20 O O . LYS A 1 4 ? 10.036 54.501 161.404 1.00 27.77 ? ? ? ? ? ? 3 LYS A O 1 +ATOM 21 C CB . LYS A 1 4 ? 10.472 55.944 164.072 1.00 29.71 ? ? ? ? ? ? 3 LYS A CB 1 +ATOM 22 C CG . LYS A 1 4 ? 11.386 56.162 165.303 1.00 32.76 ? ? ? ? ? ? 3 LYS A CG 1 +ATOM 23 C CD . LYS A 1 4 ? 10.748 55.573 166.586 1.00 33.12 ? ? ? ? ? ? 3 LYS A CD 1 +ATOM 24 C CE . LYS A 1 4 ? 11.685 55.601 167.805 1.00 38.46 ? ? ? ? ? ? 3 LYS A CE 1 +ATOM 25 N NZ . LYS A 1 4 ? 11.026 54.961 169.007 1.00 32.88 ? ? ? ? ? ? 3 LYS A NZ 1 +ATOM 26 N N . GLU A 1 5 ? 9.673 56.622 160.854 1.00 27.99 ? ? ? ? ? ? 4 GLU A N 1 +ATOM 27 C CA . GLU A 1 5 ? 8.733 56.302 159.775 1.00 27.66 ? ? ? ? ? ? 4 GLU A CA 1 +ATOM 28 C C . GLU A 1 5 ? 9.407 55.617 158.554 1.00 23.87 ? ? ? ? ? ? 4 GLU A C 1 +ATOM 29 O O . GLU A 1 5 ? 8.809 54.746 157.909 1.00 24.32 ? ? ? ? ? ? 4 GLU A O 1 +ATOM 30 C CB . GLU A 1 5 ? 7.969 57.563 159.369 1.00 28.29 ? ? ? ? ? ? 4 GLU A CB 1 +ATOM 31 C CG . GLU A 1 5 ? 6.860 57.306 158.384 1.00 30.90 ? ? ? ? ? ? 4 GLU A CG 1 +ATOM 32 C CD . GLU A 1 5 ? 5.910 58.470 158.222 1.00 30.16 ? ? ? ? ? ? 4 GLU A CD 1 +ATOM 33 O OE1 . GLU A 1 5 ? 6.200 59.589 158.696 1.00 40.00 ? ? ? ? ? ? 4 GLU A OE1 1 +ATOM 34 O OE2 . GLU A 1 5 ? 4.866 58.255 157.595 1.00 31.43 ? ? ? ? ? ? 4 GLU A OE2 1 +ATOM 35 N N . VAL A 1 6 ? 10.647 55.994 158.261 1.00 21.83 ? ? ? ? ? ? 5 VAL A N 1 +ATOM 36 C CA . VAL A 1 6 ? 11.311 55.539 157.045 1.00 20.73 ? ? ? ? ? ? 5 VAL A CA 1 +ATOM 37 C C . VAL A 1 6 ? 12.699 54.919 157.277 1.00 20.71 ? ? ? ? ? ? 5 VAL A C 1 +ATOM 38 O O . VAL A 1 6 ? 13.330 54.472 156.325 1.00 20.54 ? ? ? ? ? ? 5 VAL A O 1 +ATOM 39 C CB . VAL A 1 6 ? 11.446 56.707 156.022 1.00 20.70 ? ? ? ? ? ? 5 VAL A CB 1 +ATOM 40 C CG1 . VAL A 1 6 ? 10.079 57.281 155.615 1.00 19.29 ? ? ? ? ? ? 5 VAL A CG1 1 +ATOM 41 C CG2 . VAL A 1 6 ? 12.375 57.782 156.557 1.00 21.64 ? ? ? ? ? ? 5 VAL A CG2 1 +ATOM 42 N N . ASP A 1 7 ? 13.176 54.902 158.521 1.00 19.82 ? ? ? ? ? ? 6 ASP A N 1 +ATOM 43 C CA . ASP A 1 7 ? 14.483 54.362 158.862 1.00 19.62 ? ? ? ? ? ? 6 ASP A CA 1 +ATOM 44 C C . ASP A 1 7 ? 14.369 53.236 159.899 1.00 19.90 ? ? ? ? ? ? 6 ASP A C 1 +ATOM 45 O O . ASP A 1 7 ? 14.207 53.474 161.091 1.00 20.14 ? ? ? ? ? ? 6 ASP A O 1 +ATOM 46 C CB . ASP A 1 7 ? 15.375 55.510 159.358 1.00 20.55 ? ? ? ? ? ? 6 ASP A CB 1 +ATOM 47 C CG . ASP A 1 7 ? 16.775 55.083 159.674 1.00 19.78 ? ? ? ? ? ? 6 ASP A CG 1 +ATOM 48 O OD1 . ASP A 1 7 ? 17.137 53.922 159.417 1.00 26.20 ? ? ? ? ? ? 6 ASP A OD1 1 +ATOM 49 O OD2 . ASP A 1 7 ? 17.532 55.930 160.178 1.00 24.64 ? ? ? ? ? ? 6 ASP A OD2 1 +ATOM 50 N N . LEU A 1 8 ? 14.469 51.989 159.439 1.00 19.46 ? ? ? ? ? ? 7 LEU A N 1 +ATOM 51 C CA . LEU A 1 8 ? 14.311 50.825 160.332 1.00 19.90 ? ? ? ? ? ? 7 LEU A CA 1 +ATOM 52 C C . LEU A 1 8 ? 15.413 50.709 161.397 1.00 20.47 ? ? ? ? ? ? 7 LEU A C 1 +ATOM 53 O O . LEU A 1 8 ? 15.199 50.091 162.417 1.00 21.79 ? ? ? ? ? ? 7 LEU A O 1 +ATOM 54 C CB . LEU A 1 8 ? 14.202 49.484 159.565 1.00 21.15 ? ? ? ? ? ? 7 LEU A CB 1 +ATOM 55 C CG . LEU A 1 8 ? 13.383 48.382 160.285 1.00 15.74 ? ? ? ? ? ? 7 LEU A CG 1 +ATOM 56 C CD1 . LEU A 1 8 ? 11.918 48.639 160.141 1.00 12.91 ? ? ? ? ? ? 7 LEU A CD1 1 +ATOM 57 C CD2 . LEU A 1 8 ? 13.704 47.013 159.780 1.00 17.32 ? ? ? ? ? ? 7 LEU A CD2 1 +ATOM 58 N N . SER A 1 9 ? 16.559 51.329 161.175 1.00 20.63 ? ? ? ? ? ? 8 SER A N 1 +ATOM 59 C CA . SER A 1 9 ? 17.633 51.313 162.125 1.00 21.82 ? ? ? ? ? ? 8 SER A CA 1 +ATOM 60 C C . SER A 1 9 ? 17.266 51.967 163.457 1.00 22.85 ? ? ? ? ? ? 8 SER A C 1 +ATOM 61 O O . SER A 1 9 ? 17.837 51.604 164.490 1.00 23.37 ? ? ? ? ? ? 8 SER A O 1 +ATOM 62 C CB . SER A 1 9 ? 18.872 52.002 161.548 1.00 21.54 ? ? ? ? ? ? 8 SER A CB 1 +ATOM 63 O OG . SER A 1 9 ? 19.471 51.150 160.593 1.00 25.74 ? ? ? ? ? ? 8 SER A OG 1 +ATOM 64 N N . VAL A 1 10 ? 16.307 52.899 163.442 1.00 22.56 ? ? ? ? ? ? 9 VAL A N 1 +ATOM 65 C CA . VAL A 1 10 ? 15.861 53.560 164.672 1.00 22.69 ? ? ? ? ? ? 9 VAL A CA 1 +ATOM 66 C C . VAL A 1 10 ? 14.385 53.306 164.995 1.00 23.86 ? ? ? ? ? ? 9 VAL A C 1 +ATOM 67 O O . VAL A 1 10 ? 13.907 53.782 166.010 1.00 27.16 ? ? ? ? ? ? 9 VAL A O 1 +ATOM 68 C CB . VAL A 1 10 ? 16.111 55.094 164.633 1.00 22.92 ? ? ? ? ? ? 9 VAL A CB 1 +ATOM 69 C CG1 . VAL A 1 10 ? 17.633 55.426 164.555 1.00 20.02 ? ? ? ? ? ? 9 VAL A CG1 1 +ATOM 70 C CG2 . VAL A 1 10 ? 15.318 55.731 163.504 1.00 22.24 ? ? ? ? ? ? 9 VAL A CG2 1 +ATOM 71 N N . SER A 1 11 ? 13.680 52.555 164.148 1.00 22.76 ? ? ? ? ? ? 10 SER A N 1 +ATOM 72 C CA . SER A 1 11 ? 12.228 52.366 164.258 1.00 22.02 ? ? ? ? ? ? 10 SER A CA 1 +ATOM 73 C C . SER A 1 11 ? 11.842 51.154 165.154 1.00 23.10 ? ? ? ? ? ? 10 SER A C 1 +ATOM 74 O O . SER A 1 11 ? 12.701 50.354 165.582 1.00 22.06 ? ? ? ? ? ? 10 SER A O 1 +ATOM 75 C CB . SER A 1 11 ? 11.594 52.205 162.859 1.00 23.41 ? ? ? ? ? ? 10 SER A CB 1 +ATOM 76 O OG . SER A 1 11 ? 10.159 52.230 162.882 1.00 27.09 ? ? ? ? ? ? 10 SER A OG 1 +ATOM 77 N N . CYS A 1 12 ? 10.530 51.062 165.410 1.00 23.00 ? ? ? ? ? ? 11 CYS A N 1 +ATOM 78 C CA . CYS A 1 12 ? 9.912 50.027 166.221 1.00 22.86 ? ? ? ? ? ? 11 CYS A CA 1 +ATOM 79 C C . CYS A 1 12 ? 8.561 49.707 165.620 1.00 23.13 ? ? ? ? ? ? 11 CYS A C 1 +ATOM 80 O O . CYS A 1 12 ? 8.030 50.513 164.863 1.00 23.75 ? ? ? ? ? ? 11 CYS A O 1 +ATOM 81 C CB . CYS A 1 12 ? 9.705 50.512 167.654 1.00 23.13 ? ? ? ? ? ? 11 CYS A CB 1 +ATOM 82 S SG . CYS A 1 12 ? 8.665 51.984 167.805 1.00 26.16 ? ? ? ? ? ? 11 CYS A SG 1 +ATOM 83 N N . LEU A 1 13 ? 8.007 48.542 165.978 1.00 23.34 ? ? ? ? ? ? 12 LEU A N 1 +ATOM 84 C CA . LEU A 1 13 ? 6.742 48.046 165.428 1.00 23.71 ? ? ? ? ? ? 12 LEU A CA 1 +ATOM 85 C C . LEU A 1 13 ? 5.581 48.987 165.651 1.00 25.58 ? ? ? ? ? ? 12 LEU A C 1 +ATOM 86 O O . LEU A 1 13 ? 4.711 49.114 164.780 1.00 26.21 ? ? ? ? ? ? 12 LEU A O 1 +ATOM 87 C CB . LEU A 1 13 ? 6.386 46.647 165.985 1.00 23.07 ? ? ? ? ? ? 12 LEU A CB 1 +ATOM 88 C CG . LEU A 1 13 ? 5.119 45.966 165.434 1.00 24.17 ? ? ? ? ? ? 12 LEU A CG 1 +ATOM 89 C CD1 . LEU A 1 13 ? 5.248 45.676 163.907 1.00 22.24 ? ? ? ? ? ? 12 LEU A CD1 1 +ATOM 90 C CD2 . LEU A 1 13 ? 4.689 44.680 166.185 1.00 21.45 ? ? ? ? ? ? 12 LEU A CD2 1 +ATOM 91 N N . GLY A 1 14 ? 5.541 49.643 166.803 1.00 26.04 ? ? ? ? ? ? 13 GLY A N 1 +ATOM 92 C CA . GLY A 1 14 ? 4.463 50.586 167.061 1.00 26.89 ? ? ? ? ? ? 13 GLY A CA 1 +ATOM 93 C C . GLY A 1 14 ? 4.376 51.737 166.069 1.00 28.19 ? ? ? ? ? ? 13 GLY A C 1 +ATOM 94 O O . GLY A 1 14 ? 3.287 52.214 165.771 1.00 28.33 ? ? ? ? ? ? 13 GLY A O 1 +ATOM 95 N N . LYS A 1 15 ? 5.517 52.199 165.566 1.00 28.60 ? ? ? ? ? ? 14 LYS A N 1 +ATOM 96 C CA . LYS A 1 15 ? 5.532 53.310 164.617 1.00 30.35 ? ? ? ? ? ? 14 LYS A CA 1 +ATOM 97 C C . LYS A 1 15 ? 5.034 52.856 163.241 1.00 30.94 ? ? ? ? ? ? 14 LYS A C 1 +ATOM 98 O O . LYS A 1 15 ? 4.308 53.581 162.587 1.00 35.37 ? ? ? ? ? ? 14 LYS A O 1 +ATOM 99 C CB . LYS A 1 15 ? 6.931 53.927 164.515 1.00 30.08 ? ? ? ? ? ? 14 LYS A CB 1 +ATOM 100 N N . VAL A 1 16 ? 5.363 51.631 162.841 1.00 29.54 ? ? ? ? ? ? 15 VAL A N 1 +ATOM 101 C CA . VAL A 1 16 ? 5.180 51.217 161.465 1.00 28.33 ? ? ? ? ? ? 15 VAL A CA 1 +ATOM 102 C C . VAL A 1 16 ? 3.934 50.385 161.220 1.00 29.41 ? ? ? ? ? ? 15 VAL A C 1 +ATOM 103 O O . VAL A 1 16 ? 3.493 50.284 160.080 1.00 27.31 ? ? ? ? ? ? 15 VAL A O 1 +ATOM 104 C CB . VAL A 1 16 ? 6.439 50.468 160.917 1.00 28.42 ? ? ? ? ? ? 15 VAL A CB 1 +ATOM 105 C CG1 . VAL A 1 16 ? 7.638 51.319 161.097 1.00 25.93 ? ? ? ? ? ? 15 VAL A CG1 1 +ATOM 106 C CG2 . VAL A 1 16 ? 6.628 49.087 161.561 1.00 25.09 ? ? ? ? ? ? 15 VAL A CG2 1 +ATOM 107 N N . LYS A 1 17 ? 3.344 49.794 162.259 1.00 30.99 ? ? ? ? ? ? 16 LYS A N 1 +ATOM 108 C CA . LYS A 1 17 ? 2.373 48.727 162.012 1.00 34.68 ? ? ? ? ? ? 16 LYS A CA 1 +ATOM 109 C C . LYS A 1 17 ? 1.073 49.175 161.336 1.00 35.01 ? ? ? ? ? ? 16 LYS A C 1 +ATOM 110 O O . LYS A 1 17 ? 0.448 48.384 160.617 1.00 35.21 ? ? ? ? ? ? 16 LYS A O 1 +ATOM 111 C CB . LYS A 1 17 ? 2.089 47.905 163.279 1.00 35.91 ? ? ? ? ? ? 16 LYS A CB 1 +ATOM 112 C CG . LYS A 1 17 ? 1.350 48.604 164.377 1.00 36.50 ? ? ? ? ? ? 16 LYS A CG 1 +ATOM 113 C CD . LYS A 1 17 ? 0.858 47.612 165.426 1.00 40.36 ? ? ? ? ? ? 16 LYS A CD 1 +ATOM 114 C CE . LYS A 1 17 ? -0.216 48.279 166.313 1.00 51.28 ? ? ? ? ? ? 16 LYS A CE 1 +ATOM 115 N NZ . LYS A 1 17 ? 0.125 49.688 166.764 1.00 55.56 ? ? ? ? ? ? 16 LYS A NZ 1 +ATOM 116 N N . GLU A 1 18 ? 0.675 50.428 161.535 1.00 35.94 ? ? ? ? ? ? 17 GLU A N 1 +ATOM 117 C CA . GLU A 1 18 ? -0.549 50.931 160.903 1.00 39.67 ? ? ? ? ? ? 17 GLU A CA 1 +ATOM 118 C C . GLU A 1 18 ? -0.305 51.719 159.606 1.00 38.40 ? ? ? ? ? ? 17 GLU A C 1 +ATOM 119 O O . GLU A 1 18 ? -1.243 52.294 159.043 1.00 39.15 ? ? ? ? ? ? 17 GLU A O 1 +ATOM 120 C CB . GLU A 1 18 ? -1.364 51.783 161.898 1.00 41.62 ? ? ? ? ? ? 17 GLU A CB 1 +ATOM 121 C CG . GLU A 1 18 ? -1.853 51.028 163.169 1.00 48.20 ? ? ? ? ? ? 17 GLU A CG 1 +ATOM 122 C CD . GLU A 1 18 ? -2.733 49.805 162.879 1.00 55.01 ? ? ? ? ? ? 17 GLU A CD 1 +ATOM 123 O OE1 . GLU A 1 18 ? -3.469 49.784 161.862 1.00 58.69 ? ? ? ? ? ? 17 GLU A OE1 1 +ATOM 124 O OE2 . GLU A 1 18 ? -2.688 48.860 163.696 1.00 59.88 ? ? ? ? ? ? 17 GLU A OE2 1 +ATOM 125 N N . LEU A 1 19 ? 0.937 51.753 159.128 1.00 35.17 ? ? ? ? ? ? 18 LEU A N 1 +ATOM 126 C CA . LEU A 1 19 ? 1.258 52.522 157.927 1.00 32.89 ? ? ? ? ? ? 18 LEU A CA 1 +ATOM 127 C C . LEU A 1 19 ? 1.377 51.601 156.710 1.00 31.68 ? ? ? ? ? ? 18 LEU A C 1 +ATOM 128 O O . LEU A 1 19 ? 1.755 50.440 156.831 1.00 32.19 ? ? ? ? ? ? 18 LEU A O 1 +ATOM 129 C CB . LEU A 1 19 ? 2.547 53.312 158.128 1.00 30.66 ? ? ? ? ? ? 18 LEU A CB 1 +ATOM 130 C CG . LEU A 1 19 ? 2.545 54.314 159.270 1.00 29.82 ? ? ? ? ? ? 18 LEU A CG 1 +ATOM 131 C CD1 . LEU A 1 19 ? 3.835 55.061 159.312 1.00 23.30 ? ? ? ? ? ? 18 LEU A CD1 1 +ATOM 132 C CD2 . LEU A 1 19 ? 1.401 55.296 159.131 1.00 30.76 ? ? ? ? ? ? 18 LEU A CD2 1 +ATOM 133 N N . LYS A 1 20 ? 1.034 52.120 155.541 1.00 30.45 ? ? ? ? ? ? 19 LYS A N 1 +ATOM 134 C CA . LYS A 1 20 ? 1.342 51.437 154.310 1.00 29.50 ? ? ? ? ? ? 19 LYS A CA 1 +ATOM 135 C C . LYS A 1 20 ? 2.698 51.864 153.767 1.00 26.77 ? ? ? ? ? ? 19 LYS A C 1 +ATOM 136 O O . LYS A 1 20 ? 2.997 53.045 153.680 1.00 23.93 ? ? ? ? ? ? 19 LYS A O 1 +ATOM 137 C CB . LYS A 1 20 ? 0.292 51.686 153.245 1.00 30.68 ? ? ? ? ? ? 19 LYS A CB 1 +ATOM 138 C CG . LYS A 1 20 ? 0.410 50.724 152.077 1.00 39.31 ? ? ? ? ? ? 19 LYS A CG 1 +ATOM 139 C CD . LYS A 1 20 ? -0.307 51.262 150.880 1.00 48.57 ? ? ? ? ? ? 19 LYS A CD 1 +ATOM 140 C CE . LYS A 1 20 ? -0.298 50.269 149.740 1.00 54.46 ? ? ? ? ? ? 19 LYS A CE 1 +ATOM 141 N NZ . LYS A 1 20 ? -1.079 50.865 148.609 1.00 56.41 ? ? ? ? ? ? 19 LYS A NZ 1 +ATOM 142 N N . TYR A 1 21 ? 3.484 50.879 153.353 1.00 25.27 ? ? ? ? ? ? 20 TYR A N 1 +ATOM 143 C CA . TYR A 1 21 ? 4.769 51.106 152.688 1.00 24.09 ? ? ? ? ? ? 20 TYR A CA 1 +ATOM 144 C C . TYR A 1 21 ? 4.705 50.590 151.260 1.00 23.86 ? ? ? ? ? ? 20 TYR A C 1 +ATOM 145 O O . TYR A 1 21 ? 4.241 49.485 151.008 1.00 25.45 ? ? ? ? ? ? 20 TYR A O 1 +ATOM 146 C CB . TYR A 1 21 ? 5.892 50.424 153.455 1.00 21.98 ? ? ? ? ? ? 20 TYR A CB 1 +ATOM 147 C CG . TYR A 1 21 ? 6.142 51.072 154.767 1.00 22.12 ? ? ? ? ? ? 20 TYR A CG 1 +ATOM 148 C CD1 . TYR A 1 21 ? 5.341 50.785 155.873 1.00 19.91 ? ? ? ? ? ? 20 TYR A CD1 1 +ATOM 149 C CD2 . TYR A 1 21 ? 7.170 51.989 154.910 1.00 17.67 ? ? ? ? ? ? 20 TYR A CD2 1 +ATOM 150 C CE1 . TYR A 1 21 ? 5.553 51.422 157.076 1.00 22.38 ? ? ? ? ? ? 20 TYR A CE1 1 +ATOM 151 C CE2 . TYR A 1 21 ? 7.403 52.616 156.104 1.00 17.58 ? ? ? ? ? ? 20 TYR A CE2 1 +ATOM 152 C CZ . TYR A 1 21 ? 6.591 52.341 157.202 1.00 19.41 ? ? ? ? ? ? 20 TYR A CZ 1 +ATOM 153 O OH . TYR A 1 21 ? 6.838 52.997 158.417 1.00 18.91 ? ? ? ? ? ? 20 TYR A OH 1 +ATOM 154 N N . ASP A 1 22 ? 5.187 51.418 150.344 1.00 24.71 ? ? ? ? ? ? 21 ASP A N 1 +ATOM 155 C CA . ASP A 1 22 ? 5.073 51.204 148.911 1.00 26.10 ? ? ? ? ? ? 21 ASP A CA 1 +ATOM 156 C C . ASP A 1 22 ? 6.355 50.570 148.324 1.00 26.20 ? ? ? ? ? ? 21 ASP A C 1 +ATOM 157 O O . ASP A 1 22 ? 6.262 49.720 147.452 1.00 27.88 ? ? ? ? ? ? 21 ASP A O 1 +ATOM 158 C CB . ASP A 1 22 ? 4.772 52.548 148.216 1.00 26.75 ? ? ? ? ? ? 21 ASP A CB 1 +ATOM 159 C CG . ASP A 1 22 ? 3.436 53.145 148.649 1.00 31.98 ? ? ? ? ? ? 21 ASP A CG 1 +ATOM 160 O OD1 . ASP A 1 22 ? 2.410 52.490 148.379 1.00 40.10 ? ? ? ? ? ? 21 ASP A OD1 1 +ATOM 161 O OD2 . ASP A 1 22 ? 3.398 54.238 149.283 1.00 34.99 ? ? ? ? ? ? 21 ASP A OD2 1 +ATOM 162 N N . VAL A 1 23 ? 7.529 50.998 148.796 1.00 24.10 ? ? ? ? ? ? 22 VAL A N 1 +ATOM 163 C CA . VAL A 1 23 ? 8.800 50.497 148.311 1.00 22.82 ? ? ? ? ? ? 22 VAL A CA 1 +ATOM 164 C C . VAL A 1 23 ? 9.742 50.238 149.489 1.00 21.77 ? ? ? ? ? ? 22 VAL A C 1 +ATOM 165 O O . VAL A 1 23 ? 9.775 51.005 150.440 1.00 20.46 ? ? ? ? ? ? 22 VAL A O 1 +ATOM 166 C CB . VAL A 1 23 ? 9.460 51.502 147.334 1.00 24.26 ? ? ? ? ? ? 22 VAL A CB 1 +ATOM 167 C CG1 . VAL A 1 23 ? 10.833 50.977 146.821 1.00 20.73 ? ? ? ? ? ? 22 VAL A CG1 1 +ATOM 168 C CG2 . VAL A 1 23 ? 8.508 51.832 146.176 1.00 20.56 ? ? ? ? ? ? 22 VAL A CG2 1 +ATOM 169 N N . ILE A 1 24 ? 10.501 49.152 149.419 1.00 19.60 ? ? ? ? ? ? 23 ILE A N 1 +ATOM 170 C CA . ILE A 1 24 ? 11.508 48.865 150.407 1.00 18.38 ? ? ? ? ? ? 23 ILE A CA 1 +ATOM 171 C C . ILE A 1 24 ? 12.847 49.211 149.765 1.00 17.96 ? ? ? ? ? ? 23 ILE A C 1 +ATOM 172 O O . ILE A 1 24 ? 13.024 48.996 148.576 1.00 18.42 ? ? ? ? ? ? 23 ILE A O 1 +ATOM 173 C CB . ILE A 1 24 ? 11.525 47.364 150.852 1.00 18.34 ? ? ? ? ? ? 23 ILE A CB 1 +ATOM 174 C CG1 . ILE A 1 24 ? 10.135 46.853 151.247 1.00 19.88 ? ? ? ? ? ? 23 ILE A CG1 1 +ATOM 175 C CG2 . ILE A 1 24 ? 12.576 47.131 151.984 1.00 16.42 ? ? ? ? ? ? 23 ILE A CG2 1 +ATOM 176 C CD1 . ILE A 1 24 ? 9.509 47.474 152.472 1.00 18.11 ? ? ? ? ? ? 23 ILE A CD1 1 +ATOM 177 N N . ILE A 1 25 ? 13.763 49.739 150.568 1.00 17.28 ? ? ? ? ? ? 24 ILE A N 1 +ATOM 178 C CA A ILE A 1 25 ? 15.093 50.127 150.123 0.50 17.86 ? ? ? ? ? ? 24 ILE A CA 1 +ATOM 179 C CA B ILE A 1 25 ? 15.100 50.098 150.110 0.50 18.02 ? ? ? ? ? ? 24 ILE A CA 1 +ATOM 180 C C . ILE A 1 25 ? 16.097 49.380 150.985 1.00 16.98 ? ? ? ? ? ? 24 ILE A C 1 +ATOM 181 O O . ILE A 1 25 ? 16.034 49.471 152.204 1.00 17.73 ? ? ? ? ? ? 24 ILE A O 1 +ATOM 182 C CB A ILE A 1 25 ? 15.348 51.677 150.285 0.50 18.85 ? ? ? ? ? ? 24 ILE A CB 1 +ATOM 183 C CB B ILE A 1 25 ? 15.388 51.632 150.203 0.50 18.80 ? ? ? ? ? ? 24 ILE A CB 1 +ATOM 184 C CG1 A ILE A 1 25 ? 14.081 52.505 149.964 0.50 17.32 ? ? ? ? ? ? 24 ILE A CG1 1 +ATOM 185 C CG1 B ILE A 1 25 ? 14.286 52.443 149.505 0.50 18.77 ? ? ? ? ? ? 24 ILE A CG1 1 +ATOM 186 C CG2 A ILE A 1 25 ? 16.533 52.114 149.448 0.50 12.85 ? ? ? ? ? ? 24 ILE A CG2 1 +ATOM 187 C CG2 B ILE A 1 25 ? 16.758 51.948 149.622 0.50 14.53 ? ? ? ? ? ? 24 ILE A CG2 1 +ATOM 188 C CD1 A ILE A 1 25 ? 13.731 52.583 148.485 0.50 21.86 ? ? ? ? ? ? 24 ILE A CD1 1 +ATOM 189 C CD1 B ILE A 1 25 ? 14.021 53.783 150.148 0.50 16.47 ? ? ? ? ? ? 24 ILE A CD1 1 +ATOM 190 N N . LEU A 1 26 ? 17.005 48.657 150.345 1.00 17.07 ? ? ? ? ? ? 25 LEU A N 1 +ATOM 191 C CA . LEU A 1 26 ? 18.033 47.896 150.997 1.00 17.58 ? ? ? ? ? ? 25 LEU A CA 1 +ATOM 192 C C . LEU A 1 26 ? 19.405 48.524 150.688 1.00 17.93 ? ? ? ? ? ? 25 LEU A C 1 +ATOM 193 O O . LEU A 1 26 ? 19.958 48.351 149.596 1.00 18.78 ? ? ? ? ? ? 25 LEU A O 1 +ATOM 194 C CB . LEU A 1 26 ? 17.999 46.423 150.552 1.00 17.04 ? ? ? ? ? ? 25 LEU A CB 1 +ATOM 195 C CG . LEU A 1 26 ? 19.012 45.477 151.200 1.00 18.04 ? ? ? ? ? ? 25 LEU A CG 1 +ATOM 196 C CD1 . LEU A 1 26 ? 18.749 45.367 152.731 1.00 14.49 ? ? ? ? ? ? 25 LEU A CD1 1 +ATOM 197 C CD2 . LEU A 1 26 ? 18.975 44.116 150.492 1.00 15.63 ? ? ? ? ? ? 25 LEU A CD2 1 +ATOM 198 N N . PRO A 1 27 ? 19.964 49.257 151.662 1.00 18.92 ? ? ? ? ? ? 26 PRO A N 1 +ATOM 199 C CA . PRO A 1 27 ? 21.332 49.762 151.499 1.00 18.36 ? ? ? ? ? ? 26 PRO A CA 1 +ATOM 200 C C . PRO A 1 27 ? 22.283 48.603 151.680 1.00 18.53 ? ? ? ? ? ? 26 PRO A C 1 +ATOM 201 O O . PRO A 1 27 ? 22.182 47.898 152.662 1.00 18.73 ? ? ? ? ? ? 26 PRO A O 1 +ATOM 202 C CB . PRO A 1 27 ? 21.496 50.724 152.671 1.00 16.80 ? ? ? ? ? ? 26 PRO A CB 1 +ATOM 203 C CG . PRO A 1 27 ? 20.095 50.952 153.222 1.00 17.48 ? ? ? ? ? ? 26 PRO A CG 1 +ATOM 204 C CD . PRO A 1 27 ? 19.391 49.666 152.963 1.00 20.45 ? ? ? ? ? ? 26 PRO A CD 1 +ATOM 205 N N . TRP A 1 28 ? 23.209 48.429 150.760 1.00 18.92 ? ? ? ? ? ? 27 TRP A N 1 +ATOM 206 C CA . TRP A 1 28 ? 24.187 47.326 150.816 1.00 17.50 ? ? ? ? ? ? 27 TRP A CA 1 +ATOM 207 C C . TRP A 1 28 ? 25.581 47.886 150.618 1.00 15.96 ? ? ? ? ? ? 27 TRP A C 1 +ATOM 208 O O . TRP A 1 28 ? 25.884 48.444 149.586 1.00 17.01 ? ? ? ? ? ? 27 TRP A O 1 +ATOM 209 C CB . TRP A 1 28 ? 23.847 46.295 149.736 1.00 17.72 ? ? ? ? ? ? 27 TRP A CB 1 +ATOM 210 C CG . TRP A 1 28 ? 24.415 44.895 149.970 1.00 15.59 ? ? ? ? ? ? 27 TRP A CG 1 +ATOM 211 C CD1 . TRP A 1 28 ? 25.696 44.564 150.246 1.00 13.43 ? ? ? ? ? ? 27 TRP A CD1 1 +ATOM 212 C CD2 . TRP A 1 28 ? 23.685 43.682 149.927 1.00 16.06 ? ? ? ? ? ? 27 TRP A CD2 1 +ATOM 213 N NE1 . TRP A 1 28 ? 25.817 43.213 150.397 1.00 15.82 ? ? ? ? ? ? 27 TRP A NE1 1 +ATOM 214 C CE2 . TRP A 1 28 ? 24.598 42.636 150.169 1.00 15.13 ? ? ? ? ? ? 27 TRP A CE2 1 +ATOM 215 C CE3 . TRP A 1 28 ? 22.338 43.360 149.672 1.00 19.45 ? ? ? ? ? ? 27 TRP A CE3 1 +ATOM 216 C CZ2 . TRP A 1 28 ? 24.204 41.283 150.208 1.00 19.34 ? ? ? ? ? ? 27 TRP A CZ2 1 +ATOM 217 C CZ3 . TRP A 1 28 ? 21.947 41.995 149.727 1.00 15.99 ? ? ? ? ? ? 27 TRP A CZ3 1 +ATOM 218 C CH2 . TRP A 1 28 ? 22.876 40.991 149.991 1.00 14.95 ? ? ? ? ? ? 27 TRP A CH2 1 +ATOM 219 N N . GLY A 1 29 ? 26.416 47.720 151.625 1.00 16.05 ? ? ? ? ? ? 28 GLY A N 1 +ATOM 220 C CA . GLY A 1 29 ? 27.734 48.242 151.655 1.00 16.53 ? ? ? ? ? ? 28 GLY A CA 1 +ATOM 221 C C . GLY A 1 29 ? 28.808 47.176 151.763 1.00 16.87 ? ? ? ? ? ? 28 GLY A C 1 +ATOM 222 O O . GLY A 1 29 ? 28.811 46.201 151.023 1.00 16.38 ? ? ? ? ? ? 28 GLY A O 1 +ATOM 223 N N . ALA A 1 30 ? 29.734 47.412 152.684 1.00 17.32 ? ? ? ? ? ? 29 ALA A N 1 +ATOM 224 C CA . ALA A 1 30 ? 30.938 46.639 152.828 1.00 16.83 ? ? ? ? ? ? 29 ALA A CA 1 +ATOM 225 C C . ALA A 1 30 ? 31.613 47.067 154.136 1.00 17.76 ? ? ? ? ? ? 29 ALA A C 1 +ATOM 226 O O . ALA A 1 30 ? 31.395 48.198 154.617 1.00 18.44 ? ? ? ? ? ? 29 ALA A O 1 +ATOM 227 C CB . ALA A 1 30 ? 31.859 46.858 151.621 1.00 16.12 ? ? ? ? ? ? 29 ALA A CB 1 +ATOM 228 N N . THR A 1 31 ? 32.398 46.154 154.723 1.00 18.71 ? ? ? ? ? ? 30 THR A N 1 +ATOM 229 C CA . THR A 1 31 ? 33.303 46.461 155.857 1.00 18.45 ? ? ? ? ? ? 30 THR A CA 1 +ATOM 230 C C . THR A 1 31 ? 34.741 46.441 155.297 1.00 20.16 ? ? ? ? ? ? 30 THR A C 1 +ATOM 231 O O . THR A 1 31 ? 35.295 45.364 155.012 1.00 19.24 ? ? ? ? ? ? 30 THR A O 1 +ATOM 232 C CB . THR A 1 31 ? 33.134 45.408 156.961 1.00 20.44 ? ? ? ? ? ? 30 THR A CB 1 +ATOM 233 O OG1 . THR A 1 31 ? 31.744 45.192 157.193 1.00 18.63 ? ? ? ? ? ? 30 THR A OG1 1 +ATOM 234 C CG2 . THR A 1 31 ? 33.862 45.773 158.271 1.00 16.49 ? ? ? ? ? ? 30 THR A CG2 1 +ATOM 235 N N . GLU A 1 32 ? 35.321 47.629 155.130 1.00 20.05 ? ? ? ? ? ? 31 GLU A N 1 +ATOM 236 C CA . GLU A 1 32 ? 36.411 47.838 154.206 1.00 20.89 ? ? ? ? ? ? 31 GLU A CA 1 +ATOM 237 C C . GLU A 1 32 ? 37.196 49.101 154.566 1.00 21.06 ? ? ? ? ? ? 31 GLU A C 1 +ATOM 238 O O . GLU A 1 32 ? 36.616 50.159 154.678 1.00 21.30 ? ? ? ? ? ? 31 GLU A O 1 +ATOM 239 C CB . GLU A 1 32 ? 35.848 48.040 152.775 1.00 18.87 ? ? ? ? ? ? 31 GLU A CB 1 +ATOM 240 C CG . GLU A 1 32 ? 36.871 48.192 151.649 1.00 22.00 ? ? ? ? ? ? 31 GLU A CG 1 +ATOM 241 C CD . GLU A 1 32 ? 36.223 48.579 150.337 1.00 23.70 ? ? ? ? ? ? 31 GLU A CD 1 +ATOM 242 O OE1 . GLU A 1 32 ? 35.187 49.249 150.396 1.00 23.15 ? ? ? ? ? ? 31 GLU A OE1 1 +ATOM 243 O OE2 . GLU A 1 32 ? 36.731 48.245 149.237 1.00 27.81 ? ? ? ? ? ? 31 GLU A OE2 1 +ATOM 244 N N . PRO A 1 33 ? 38.519 48.988 154.696 1.00 22.67 ? ? ? ? ? ? 32 PRO A N 1 +ATOM 245 C CA . PRO A 1 33 ? 39.407 50.161 154.804 1.00 22.34 ? ? ? ? ? ? 32 PRO A CA 1 +ATOM 246 C C . PRO A 1 33 ? 39.202 51.198 153.680 1.00 21.68 ? ? ? ? ? ? 32 PRO A C 1 +ATOM 247 O O . PRO A 1 33 ? 39.189 50.850 152.490 1.00 20.72 ? ? ? ? ? ? 32 PRO A O 1 +ATOM 248 C CB . PRO A 1 33 ? 40.805 49.541 154.692 1.00 24.21 ? ? ? ? ? ? 32 PRO A CB 1 +ATOM 249 C CG . PRO A 1 33 ? 40.659 48.126 155.098 1.00 20.51 ? ? ? ? ? ? 32 PRO A CG 1 +ATOM 250 C CD . PRO A 1 33 ? 39.260 47.710 154.795 1.00 22.99 ? ? ? ? ? ? 32 PRO A CD 1 +ATOM 251 N N . HIS A 1 34 ? 39.057 52.461 154.057 1.00 20.73 ? ? ? ? ? ? 33 HIS A N 1 +ATOM 252 C CA . HIS A 1 34 ? 38.951 53.577 153.108 1.00 19.89 ? ? ? ? ? ? 33 HIS A CA 1 +ATOM 253 C C . HIS A 1 34 ? 40.085 54.617 153.301 1.00 20.83 ? ? ? ? ? ? 33 HIS A C 1 +ATOM 254 O O . HIS A 1 34 ? 39.888 55.636 153.988 1.00 18.87 ? ? ? ? ? ? 33 HIS A O 1 +ATOM 255 C CB . HIS A 1 34 ? 37.607 54.259 153.342 1.00 19.02 ? ? ? ? ? ? 33 HIS A CB 1 +ATOM 256 C CG . HIS A 1 34 ? 36.454 53.564 152.686 1.00 19.11 ? ? ? ? ? ? 33 HIS A CG 1 +ATOM 257 N ND1 . HIS A 1 34 ? 35.972 52.341 153.108 1.00 19.83 ? ? ? ? ? ? 33 HIS A ND1 1 +ATOM 258 C CD2 . HIS A 1 34 ? 35.714 53.907 151.609 1.00 19.67 ? ? ? ? ? ? 33 HIS A CD2 1 +ATOM 259 C CE1 . HIS A 1 34 ? 34.961 51.982 152.337 1.00 20.19 ? ? ? ? ? ? 33 HIS A CE1 1 +ATOM 260 N NE2 . HIS A 1 34 ? 34.784 52.916 151.418 1.00 20.42 ? ? ? ? ? ? 33 HIS A NE2 1 +ATOM 261 N N . ASN A 1 35 ? 41.260 54.368 152.710 1.00 21.42 ? ? ? ? ? ? 34 ASN A N 1 +ATOM 262 C CA . ASN A 1 35 ? 42.425 55.192 152.958 1.00 22.08 ? ? ? ? ? ? 34 ASN A CA 1 +ATOM 263 C C . ASN A 1 35 ? 42.565 55.138 154.486 1.00 23.87 ? ? ? ? ? ? 34 ASN A C 1 +ATOM 264 O O . ASN A 1 35 ? 42.037 54.204 155.133 1.00 24.46 ? ? ? ? ? ? 34 ASN A O 1 +ATOM 265 C CB . ASN A 1 35 ? 42.183 56.624 152.391 1.00 23.15 ? ? ? ? ? ? 34 ASN A CB 1 +ATOM 266 C CG . ASN A 1 35 ? 43.446 57.471 152.249 1.00 23.00 ? ? ? ? ? ? 34 ASN A CG 1 +ATOM 267 O OD1 . ASN A 1 35 ? 44.286 57.548 153.167 1.00 21.39 ? ? ? ? ? ? 34 ASN A OD1 1 +ATOM 268 N ND2 . ASN A 1 35 ? 43.547 58.173 151.129 1.00 19.07 ? ? ? ? ? ? 34 ASN A ND2 1 +ATOM 269 N N . LEU A 1 36 ? 43.225 56.139 155.075 1.00 24.11 ? ? ? ? ? ? 35 LEU A N 1 +ATOM 270 C CA . LEU A 1 36 ? 43.462 56.155 156.510 1.00 23.33 ? ? ? ? ? ? 35 LEU A CA 1 +ATOM 271 C C . LEU A 1 36 ? 42.386 56.895 157.306 1.00 22.29 ? ? ? ? ? ? 35 LEU A C 1 +ATOM 272 O O . LEU A 1 36 ? 42.379 56.804 158.514 1.00 24.64 ? ? ? ? ? ? 35 LEU A O 1 +ATOM 273 C CB . LEU A 1 36 ? 44.828 56.793 156.802 1.00 24.94 ? ? ? ? ? ? 35 LEU A CB 1 +ATOM 274 C CG . LEU A 1 36 ? 45.991 56.074 156.126 1.00 26.34 ? ? ? ? ? ? 35 LEU A CG 1 +ATOM 275 C CD1 . LEU A 1 36 ? 47.324 56.834 156.358 1.00 29.35 ? ? ? ? ? ? 35 LEU A CD1 1 +ATOM 276 C CD2 . LEU A 1 36 ? 46.084 54.602 156.601 1.00 23.71 ? ? ? ? ? ? 35 LEU A CD2 1 +ATOM 277 N N . HIS A 1 37 ? 41.482 57.609 156.645 1.00 22.32 ? ? ? ? ? ? 36 HIS A N 1 +ATOM 278 C CA . HIS A 1 37 ? 40.636 58.614 157.304 1.00 22.21 ? ? ? ? ? ? 36 HIS A CA 1 +ATOM 279 C C . HIS A 1 37 ? 39.131 58.323 157.348 1.00 22.35 ? ? ? ? ? ? 36 HIS A C 1 +ATOM 280 O O . HIS A 1 37 ? 38.416 58.877 158.163 1.00 23.06 ? ? ? ? ? ? 36 HIS A O 1 +ATOM 281 C CB . HIS A 1 37 ? 40.846 59.998 156.647 1.00 23.01 ? ? ? ? ? ? 36 HIS A CB 1 +ATOM 282 C CG . HIS A 1 37 ? 40.417 60.064 155.214 1.00 21.08 ? ? ? ? ? ? 36 HIS A CG 1 +ATOM 283 N ND1 . HIS A 1 37 ? 40.917 59.223 154.248 1.00 23.27 ? ? ? ? ? ? 36 HIS A ND1 1 +ATOM 284 C CD2 . HIS A 1 37 ? 39.556 60.886 154.580 1.00 19.61 ? ? ? ? ? ? 36 HIS A CD2 1 +ATOM 285 C CE1 . HIS A 1 37 ? 40.353 59.499 153.084 1.00 23.50 ? ? ? ? ? ? 36 HIS A CE1 1 +ATOM 286 N NE2 . HIS A 1 37 ? 39.527 60.509 153.259 1.00 22.96 ? ? ? ? ? ? 36 HIS A NE2 1 +ATOM 287 N N . LEU A 1 38 ? 38.638 57.462 156.488 1.00 21.49 ? ? ? ? ? ? 37 LEU A N 1 +ATOM 288 C CA . LEU A 1 38 ? 37.184 57.311 156.364 1.00 20.40 ? ? ? ? ? ? 37 LEU A CA 1 +ATOM 289 C C . LEU A 1 38 ? 36.775 56.047 157.109 1.00 19.77 ? ? ? ? ? ? 37 LEU A C 1 +ATOM 290 O O . LEU A 1 38 ? 37.561 55.105 157.208 1.00 20.61 ? ? ? ? ? ? 37 LEU A O 1 +ATOM 291 C CB . LEU A 1 38 ? 36.795 57.231 154.891 1.00 21.18 ? ? ? ? ? ? 37 LEU A CB 1 +ATOM 292 C CG . LEU A 1 38 ? 36.598 58.518 154.089 1.00 21.64 ? ? ? ? ? ? 37 LEU A CG 1 +ATOM 293 C CD1 . LEU A 1 38 ? 36.477 58.112 152.615 1.00 17.21 ? ? ? ? ? ? 37 LEU A CD1 1 +ATOM 294 C CD2 . LEU A 1 38 ? 35.367 59.317 154.536 1.00 18.39 ? ? ? ? ? ? 37 LEU A CD2 1 +ATOM 295 N N . PRO A 1 39 ? 35.565 56.015 157.662 1.00 20.96 ? ? ? ? ? ? 38 PRO A N 1 +ATOM 296 C CA . PRO A 1 39 ? 35.103 54.818 158.376 1.00 20.98 ? ? ? ? ? ? 38 PRO A CA 1 +ATOM 297 C C . PRO A 1 39 ? 35.098 53.521 157.575 1.00 19.58 ? ? ? ? ? ? 38 PRO A C 1 +ATOM 298 O O . PRO A 1 39 ? 34.737 53.486 156.396 1.00 18.83 ? ? ? ? ? ? 38 PRO A O 1 +ATOM 299 C CB . PRO A 1 39 ? 33.663 55.179 158.768 1.00 22.85 ? ? ? ? ? ? 38 PRO A CB 1 +ATOM 300 C CG . PRO A 1 39 ? 33.639 56.631 158.776 1.00 22.63 ? ? ? ? ? ? 38 PRO A CG 1 +ATOM 301 C CD . PRO A 1 39 ? 34.543 57.076 157.692 1.00 21.54 ? ? ? ? ? ? 38 PRO A CD 1 +ATOM 302 N N . TYR A 1 40 ? 35.469 52.452 158.247 1.00 19.55 ? ? ? ? ? ? 39 TYR A N 1 +ATOM 303 C CA . TYR A 1 40 ? 35.278 51.086 157.729 1.00 18.98 ? ? ? ? ? ? 39 TYR A CA 1 +ATOM 304 C C . TYR A 1 40 ? 33.900 50.858 157.145 1.00 18.49 ? ? ? ? ? ? 39 TYR A C 1 +ATOM 305 O O . TYR A 1 40 ? 33.748 50.058 156.203 1.00 19.16 ? ? ? ? ? ? 39 TYR A O 1 +ATOM 306 C CB . TYR A 1 40 ? 35.529 50.062 158.848 1.00 18.61 ? ? ? ? ? ? 39 TYR A CB 1 +ATOM 307 C CG . TYR A 1 40 ? 36.988 49.682 158.979 1.00 21.29 ? ? ? ? ? ? 39 TYR A CG 1 +ATOM 308 C CD1 . TYR A 1 40 ? 37.859 50.412 159.786 1.00 19.19 ? ? ? ? ? ? 39 TYR A CD1 1 +ATOM 309 C CD2 . TYR A 1 40 ? 37.497 48.582 158.293 1.00 20.20 ? ? ? ? ? ? 39 TYR A CD2 1 +ATOM 310 C CE1 . TYR A 1 40 ? 39.212 50.056 159.885 1.00 21.06 ? ? ? ? ? ? 39 TYR A CE1 1 +ATOM 311 C CE2 . TYR A 1 40 ? 38.858 48.203 158.414 1.00 22.50 ? ? ? ? ? ? 39 TYR A CE2 1 +ATOM 312 C CZ . TYR A 1 40 ? 39.704 48.956 159.202 1.00 22.11 ? ? ? ? ? ? 39 TYR A CZ 1 +ATOM 313 O OH . TYR A 1 40 ? 41.057 48.597 159.329 1.00 26.09 ? ? ? ? ? ? 39 TYR A OH 1 +ATOM 314 N N . LEU A 1 41 ? 32.891 51.530 157.701 1.00 18.20 ? ? ? ? ? ? 40 LEU A N 1 +ATOM 315 C CA . LEU A 1 41 ? 31.496 51.340 157.259 1.00 17.67 ? ? ? ? ? ? 40 LEU A CA 1 +ATOM 316 C C . LEU A 1 41 ? 30.987 52.401 156.277 1.00 18.33 ? ? ? ? ? ? 40 LEU A C 1 +ATOM 317 O O . LEU A 1 41 ? 29.787 52.474 155.983 1.00 18.81 ? ? ? ? ? ? 40 LEU A O 1 +ATOM 318 C CB . LEU A 1 41 ? 30.566 51.246 158.483 1.00 18.45 ? ? ? ? ? ? 40 LEU A CB 1 +ATOM 319 C CG . LEU A 1 41 ? 30.625 49.990 159.390 1.00 19.29 ? ? ? ? ? ? 40 LEU A CG 1 +ATOM 320 C CD1 . LEU A 1 41 ? 29.493 50.114 160.418 1.00 22.49 ? ? ? ? ? ? 40 LEU A CD1 1 +ATOM 321 C CD2 . LEU A 1 41 ? 30.485 48.663 158.634 1.00 18.15 ? ? ? ? ? ? 40 LEU A CD2 1 +ATOM 322 N N . THR A 1 42 ? 31.887 53.205 155.718 1.00 18.95 ? ? ? ? ? ? 41 THR A N 1 +ATOM 323 C CA . THR A 1 42 ? 31.504 54.158 154.683 1.00 18.57 ? ? ? ? ? ? 41 THR A CA 1 +ATOM 324 C C . THR A 1 42 ? 30.421 53.666 153.699 1.00 18.85 ? ? ? ? ? ? 41 THR A C 1 +ATOM 325 O O . THR A 1 42 ? 29.435 54.362 153.435 1.00 17.68 ? ? ? ? ? ? 41 THR A O 1 +ATOM 326 C CB . THR A 1 42 ? 32.788 54.623 153.941 1.00 18.61 ? ? ? ? ? ? 41 THR A CB 1 +ATOM 327 O OG1 . THR A 1 42 ? 33.559 55.365 154.883 1.00 15.52 ? ? ? ? ? ? 41 THR A OG1 1 +ATOM 328 C CG2 . THR A 1 42 ? 32.497 55.480 152.707 1.00 14.57 ? ? ? ? ? ? 41 THR A CG2 1 +ATOM 329 N N . ASP A 1 43 ? 30.616 52.469 153.148 1.00 19.34 ? ? ? ? ? ? 42 ASP A N 1 +ATOM 330 C CA . ASP A 1 43 ? 29.736 51.975 152.078 1.00 17.94 ? ? ? ? ? ? 42 ASP A CA 1 +ATOM 331 C C . ASP A 1 43 ? 28.364 51.566 152.573 1.00 18.32 ? ? ? ? ? ? 42 ASP A C 1 +ATOM 332 O O . ASP A 1 43 ? 27.468 51.359 151.763 1.00 18.44 ? ? ? ? ? ? 42 ASP A O 1 +ATOM 333 C CB . ASP A 1 43 ? 30.378 50.784 151.367 1.00 19.75 ? ? ? ? ? ? 42 ASP A CB 1 +ATOM 334 C CG . ASP A 1 43 ? 31.630 51.167 150.637 1.00 17.25 ? ? ? ? ? ? 42 ASP A CG 1 +ATOM 335 O OD1 . ASP A 1 43 ? 31.910 52.376 150.581 1.00 25.62 ? ? ? ? ? ? 42 ASP A OD1 1 +ATOM 336 O OD2 . ASP A 1 43 ? 32.331 50.281 150.149 1.00 19.88 ? ? ? ? ? ? 42 ASP A OD2 1 +ATOM 337 N N . CYS A 1 44 ? 28.212 51.420 153.882 1.00 17.94 ? ? ? ? ? ? 43 CYS A N 1 +ATOM 338 C CA . CYS A 1 44 ? 26.917 51.248 154.489 1.00 20.12 ? ? ? ? ? ? 43 CYS A CA 1 +ATOM 339 C C . CYS A 1 44 ? 26.280 52.604 154.816 1.00 19.47 ? ? ? ? ? ? 43 CYS A C 1 +ATOM 340 O O . CYS A 1 44 ? 25.078 52.815 154.603 1.00 18.80 ? ? ? ? ? ? 43 CYS A O 1 +ATOM 341 C CB . CYS A 1 44 ? 27.056 50.460 155.793 1.00 21.75 ? ? ? ? ? ? 43 CYS A CB 1 +ATOM 342 S SG . CYS A 1 44 ? 27.481 48.752 155.572 1.00 24.31 ? ? ? ? ? ? 43 CYS A SG 1 +ATOM 343 N N . ILE A 1 45 ? 27.099 53.482 155.390 1.00 18.40 ? ? ? ? ? ? 44 ILE A N 1 +ATOM 344 C CA . ILE A 1 45 ? 26.632 54.735 155.943 1.00 19.06 ? ? ? ? ? ? 44 ILE A CA 1 +ATOM 345 C C . ILE A 1 45 ? 26.076 55.659 154.886 1.00 19.43 ? ? ? ? ? ? 44 ILE A C 1 +ATOM 346 O O . ILE A 1 45 ? 24.983 56.230 155.058 1.00 20.13 ? ? ? ? ? ? 44 ILE A O 1 +ATOM 347 C CB . ILE A 1 45 ? 27.758 55.434 156.731 1.00 18.82 ? ? ? ? ? ? 44 ILE A CB 1 +ATOM 348 C CG1 . ILE A 1 45 ? 28.058 54.671 158.033 1.00 19.09 ? ? ? ? ? ? 44 ILE A CG1 1 +ATOM 349 C CG2 . ILE A 1 45 ? 27.400 56.875 157.061 1.00 21.12 ? ? ? ? ? ? 44 ILE A CG2 1 +ATOM 350 C CD1 . ILE A 1 45 ? 29.371 55.109 158.731 1.00 19.02 ? ? ? ? ? ? 44 ILE A CD1 1 +ATOM 351 N N . LEU A 1 46 ? 26.802 55.785 153.789 1.00 18.81 ? ? ? ? ? ? 45 LEU A N 1 +ATOM 352 C CA . LEU A 1 46 ? 26.409 56.694 152.711 1.00 19.02 ? ? ? ? ? ? 45 LEU A CA 1 +ATOM 353 C C . LEU A 1 46 ? 25.122 56.308 151.967 1.00 18.46 ? ? ? ? ? ? 45 LEU A C 1 +ATOM 354 O O . LEU A 1 46 ? 24.248 57.158 151.822 1.00 18.43 ? ? ? ? ? ? 45 LEU A O 1 +ATOM 355 C CB . LEU A 1 46 ? 27.576 56.982 151.747 1.00 18.41 ? ? ? ? ? ? 45 LEU A CB 1 +ATOM 356 C CG . LEU A 1 46 ? 28.804 57.671 152.386 1.00 18.02 ? ? ? ? ? ? 45 LEU A CG 1 +ATOM 357 C CD1 . LEU A 1 46 ? 29.838 58.017 151.312 1.00 15.57 ? ? ? ? ? ? 45 LEU A CD1 1 +ATOM 358 C CD2 . LEU A 1 46 ? 28.459 58.939 153.232 1.00 15.46 ? ? ? ? ? ? 45 LEU A CD2 1 +ATOM 359 N N . PRO A 1 47 ? 24.986 55.040 151.492 1.00 18.77 ? ? ? ? ? ? 46 PRO A N 1 +ATOM 360 C CA . PRO A 1 47 ? 23.674 54.734 150.910 1.00 18.29 ? ? ? ? ? ? 46 PRO A CA 1 +ATOM 361 C C . PRO A 1 47 ? 22.515 54.760 151.891 1.00 18.50 ? ? ? ? ? ? 46 PRO A C 1 +ATOM 362 O O . PRO A 1 47 ? 21.393 54.998 151.478 1.00 20.81 ? ? ? ? ? ? 46 PRO A O 1 +ATOM 363 C CB . PRO A 1 47 ? 23.853 53.335 150.326 1.00 17.87 ? ? ? ? ? ? 46 PRO A CB 1 +ATOM 364 C CG . PRO A 1 47 ? 25.039 52.757 151.016 1.00 19.22 ? ? ? ? ? ? 46 PRO A CG 1 +ATOM 365 C CD . PRO A 1 47 ? 25.927 53.911 151.377 1.00 16.44 ? ? ? ? ? ? 46 PRO A CD 1 +ATOM 366 N N . HIS A 1 48 ? 22.778 54.492 153.178 1.00 19.93 ? ? ? ? ? ? 47 HIS A N 1 +ATOM 367 C CA . HIS A 1 48 ? 21.743 54.575 154.186 1.00 20.69 ? ? ? ? ? ? 47 HIS A CA 1 +ATOM 368 C C . HIS A 1 48 ? 21.239 56.013 154.306 1.00 19.54 ? ? ? ? ? ? 47 HIS A C 1 +ATOM 369 O O . HIS A 1 48 ? 20.043 56.255 154.346 1.00 19.15 ? ? ? ? ? ? 47 HIS A O 1 +ATOM 370 C CB . HIS A 1 48 ? 22.260 54.113 155.552 1.00 20.28 ? ? ? ? ? ? 47 HIS A CB 1 +ATOM 371 C CG . HIS A 1 48 ? 21.270 54.311 156.667 1.00 23.37 ? ? ? ? ? ? 47 HIS A CG 1 +ATOM 372 N ND1 . HIS A 1 48 ? 21.264 55.435 157.471 1.00 22.32 ? ? ? ? ? ? 47 HIS A ND1 1 +ATOM 373 C CD2 . HIS A 1 48 ? 20.226 53.543 157.083 1.00 23.94 ? ? ? ? ? ? 47 HIS A CD2 1 +ATOM 374 C CE1 . HIS A 1 48 ? 20.281 55.341 158.348 1.00 24.77 ? ? ? ? ? ? 47 HIS A CE1 1 +ATOM 375 N NE2 . HIS A 1 48 ? 19.631 54.203 158.135 1.00 26.26 ? ? ? ? ? ? 47 HIS A NE2 1 +ATOM 376 N N . ASP A 1 49 ? 22.152 56.972 154.401 1.00 20.71 ? ? ? ? ? ? 48 ASP A N 1 +ATOM 377 C CA . ASP A 1 49 ? 21.749 58.371 154.626 1.00 21.29 ? ? ? ? ? ? 48 ASP A CA 1 +ATOM 378 C C . ASP A 1 49 ? 21.094 58.961 153.393 1.00 20.58 ? ? ? ? ? ? 48 ASP A C 1 +ATOM 379 O O . ASP A 1 49 ? 20.069 59.680 153.482 1.00 21.69 ? ? ? ? ? ? 48 ASP A O 1 +ATOM 380 C CB . ASP A 1 49 ? 22.933 59.224 155.085 1.00 21.54 ? ? ? ? ? ? 48 ASP A CB 1 +ATOM 381 C CG . ASP A 1 49 ? 23.383 58.897 156.506 1.00 23.57 ? ? ? ? ? ? 48 ASP A CG 1 +ATOM 382 O OD1 . ASP A 1 49 ? 22.824 57.985 157.163 1.00 32.58 ? ? ? ? ? ? 48 ASP A OD1 1 +ATOM 383 O OD2 . ASP A 1 49 ? 24.319 59.557 156.978 1.00 29.57 ? ? ? ? ? ? 48 ASP A OD2 1 +ATOM 384 N N . ILE A 1 50 ? 21.654 58.631 152.234 1.00 19.82 ? ? ? ? ? ? 49 ILE A N 1 +ATOM 385 C CA . ILE A 1 50 ? 21.082 59.039 150.979 1.00 18.67 ? ? ? ? ? ? 49 ILE A CA 1 +ATOM 386 C C . ILE A 1 50 ? 19.662 58.471 150.855 1.00 19.60 ? ? ? ? ? ? 49 ILE A C 1 +ATOM 387 O O . ILE A 1 50 ? 18.728 59.190 150.510 1.00 20.23 ? ? ? ? ? ? 49 ILE A O 1 +ATOM 388 C CB . ILE A 1 50 ? 21.964 58.595 149.773 1.00 19.58 ? ? ? ? ? ? 49 ILE A CB 1 +ATOM 389 C CG1 . ILE A 1 50 ? 23.293 59.367 149.798 1.00 17.79 ? ? ? ? ? ? 49 ILE A CG1 1 +ATOM 390 C CG2 . ILE A 1 50 ? 21.187 58.789 148.504 1.00 15.90 ? ? ? ? ? ? 49 ILE A CG2 1 +ATOM 391 C CD1 . ILE A 1 50 ? 24.249 59.080 148.704 1.00 17.69 ? ? ? ? ? ? 49 ILE A CD1 1 +ATOM 392 N N . ALA A 1 51 ? 19.509 57.189 151.139 1.00 19.66 ? ? ? ? ? ? 50 ALA A N 1 +ATOM 393 C CA . ALA A 1 51 ? 18.202 56.526 151.033 1.00 19.46 ? ? ? ? ? ? 50 ALA A CA 1 +ATOM 394 C C . ALA A 1 51 ? 17.148 57.153 151.943 1.00 18.99 ? ? ? ? ? ? 50 ALA A C 1 +ATOM 395 O O . ALA A 1 51 ? 16.004 57.333 151.536 1.00 19.47 ? ? ? ? ? ? 50 ALA A O 1 +ATOM 396 C CB . ALA A 1 51 ? 18.336 55.022 151.312 1.00 17.85 ? ? ? ? ? ? 50 ALA A CB 1 +ATOM 397 N N . VAL A 1 52 ? 17.549 57.490 153.170 1.00 19.57 ? ? ? ? ? ? 51 VAL A N 1 +ATOM 398 C CA . VAL A 1 52 ? 16.619 58.080 154.140 1.00 20.48 ? ? ? ? ? ? 51 VAL A CA 1 +ATOM 399 C C . VAL A 1 52 ? 16.157 59.459 153.678 1.00 20.80 ? ? ? ? ? ? 51 VAL A C 1 +ATOM 400 O O . VAL A 1 52 ? 14.950 59.741 153.687 1.00 20.67 ? ? ? ? ? ? 51 VAL A O 1 +ATOM 401 C CB . VAL A 1 52 ? 17.229 58.077 155.574 1.00 22.00 ? ? ? ? ? ? 51 VAL A CB 1 +ATOM 402 C CG1 . VAL A 1 52 ? 16.302 58.799 156.581 1.00 21.19 ? ? ? ? ? ? 51 VAL A CG1 1 +ATOM 403 C CG2 . VAL A 1 52 ? 17.510 56.615 156.008 1.00 15.86 ? ? ? ? ? ? 51 VAL A CG2 1 +ATOM 404 N N . GLU A 1 53 ? 17.091 60.279 153.177 1.00 21.04 ? ? ? ? ? ? 52 GLU A N 1 +ATOM 405 C CA . GLU A 1 53 ? 16.717 61.575 152.595 1.00 20.69 ? ? ? ? ? ? 52 GLU A CA 1 +ATOM 406 C C . GLU A 1 53 ? 15.804 61.455 151.388 1.00 21.58 ? ? ? ? ? ? 52 GLU A C 1 +ATOM 407 O O . GLU A 1 53 ? 14.840 62.207 151.292 1.00 22.48 ? ? ? ? ? ? 52 GLU A O 1 +ATOM 408 C CB . GLU A 1 53 ? 17.927 62.409 152.179 1.00 23.11 ? ? ? ? ? ? 52 GLU A CB 1 +ATOM 409 C CG . GLU A 1 53 ? 18.791 62.897 153.298 1.00 32.25 ? ? ? ? ? ? 52 GLU A CG 1 +ATOM 410 C CD . GLU A 1 53 ? 19.585 64.150 152.915 1.00 39.49 ? ? ? ? ? ? 52 GLU A CD 1 +ATOM 411 O OE1 . GLU A 1 53 ? 19.962 64.258 151.750 1.00 30.87 ? ? ? ? ? ? 52 GLU A OE1 1 +ATOM 412 O OE2 . GLU A 1 53 ? 19.830 65.017 153.792 1.00 53.17 ? ? ? ? ? ? 52 GLU A OE2 1 +ATOM 413 N N . ALA A 1 54 ? 16.097 60.523 150.470 1.00 20.76 ? ? ? ? ? ? 53 ALA A N 1 +ATOM 414 C CA . ALA A 1 54 ? 15.202 60.250 149.339 1.00 19.08 ? ? ? ? ? ? 53 ALA A CA 1 +ATOM 415 C C . ALA A 1 54 ? 13.841 59.784 149.801 1.00 19.98 ? ? ? ? ? ? 53 ALA A C 1 +ATOM 416 O O . ALA A 1 54 ? 12.823 60.172 149.242 1.00 20.57 ? ? ? ? ? ? 53 ALA A O 1 +ATOM 417 C CB . ALA A 1 54 ? 15.806 59.202 148.358 1.00 18.11 ? ? ? ? ? ? 53 ALA A CB 1 +ATOM 418 N N . ALA A 1 55 ? 13.805 58.911 150.797 1.00 20.43 ? ? ? ? ? ? 54 ALA A N 1 +ATOM 419 C CA . ALA A 1 55 ? 12.526 58.414 151.323 1.00 20.83 ? ? ? ? ? ? 54 ALA A CA 1 +ATOM 420 C C . ALA A 1 55 ? 11.732 59.593 151.935 1.00 20.76 ? ? ? ? ? ? 54 ALA A C 1 +ATOM 421 O O . ALA A 1 55 ? 10.544 59.778 151.680 1.00 22.29 ? ? ? ? ? ? 54 ALA A O 1 +ATOM 422 C CB . ALA A 1 55 ? 12.774 57.293 152.363 1.00 17.69 ? ? ? ? ? ? 54 ALA A CB 1 +ATOM 423 N N . GLU A 1 56 ? 12.396 60.422 152.706 1.00 22.20 ? ? ? ? ? ? 55 GLU A N 1 +ATOM 424 C CA . GLU A 1 56 ? 11.743 61.618 153.262 1.00 24.15 ? ? ? ? ? ? 55 GLU A CA 1 +ATOM 425 C C . GLU A 1 56 ? 11.166 62.521 152.179 1.00 23.52 ? ? ? ? ? ? 55 GLU A C 1 +ATOM 426 O O . GLU A 1 56 ? 10.046 62.986 152.323 1.00 23.65 ? ? ? ? ? ? 55 GLU A O 1 +ATOM 427 C CB . GLU A 1 56 ? 12.718 62.400 154.161 1.00 22.10 ? ? ? ? ? ? 55 GLU A CB 1 +ATOM 428 C CG . GLU A 1 56 ? 13.048 61.675 155.458 1.00 23.82 ? ? ? ? ? ? 55 GLU A CG 1 +ATOM 429 C CD . GLU A 1 56 ? 14.204 62.290 156.264 1.00 28.63 ? ? ? ? ? ? 55 GLU A CD 1 +ATOM 430 O OE1 . GLU A 1 56 ? 15.108 62.934 155.683 1.00 33.32 ? ? ? ? ? ? 55 GLU A OE1 1 +ATOM 431 O OE2 . GLU A 1 56 ? 14.211 62.091 157.504 1.00 36.55 ? ? ? ? ? ? 55 GLU A OE2 1 +ATOM 432 N N . LEU A 1 57 ? 11.940 62.780 151.123 1.00 23.36 ? ? ? ? ? ? 56 LEU A N 1 +ATOM 433 C CA . LEU A 1 57 ? 11.498 63.594 149.972 1.00 23.33 ? ? ? ? ? ? 56 LEU A CA 1 +ATOM 434 C C . LEU A 1 57 ? 10.313 62.968 149.239 1.00 24.61 ? ? ? ? ? ? 56 LEU A C 1 +ATOM 435 O O . LEU A 1 57 ? 9.302 63.639 148.956 1.00 25.39 ? ? ? ? ? ? 56 LEU A O 1 +ATOM 436 C CB . LEU A 1 57 ? 12.665 63.882 148.992 1.00 23.33 ? ? ? ? ? ? 56 LEU A CB 1 +ATOM 437 C CG . LEU A 1 57 ? 12.312 64.719 147.738 1.00 25.18 ? ? ? ? ? ? 56 LEU A CG 1 +ATOM 438 C CD1 . LEU A 1 57 ? 11.650 66.054 148.065 1.00 22.60 ? ? ? ? ? ? 56 LEU A CD1 1 +ATOM 439 C CD2 . LEU A 1 57 ? 13.557 64.974 146.860 1.00 19.84 ? ? ? ? ? ? 56 LEU A CD2 1 +ATOM 440 N N . ALA A 1 58 ? 10.412 61.675 148.970 1.00 24.10 ? ? ? ? ? ? 57 ALA A N 1 +ATOM 441 C CA . ALA A 1 58 ? 9.324 60.960 148.314 1.00 24.28 ? ? ? ? ? ? 57 ALA A CA 1 +ATOM 442 C C . ALA A 1 58 ? 8.022 61.100 149.136 1.00 24.67 ? ? ? ? ? ? 57 ALA A C 1 +ATOM 443 O O . ALA A 1 58 ? 6.938 61.333 148.588 1.00 25.81 ? ? ? ? ? ? 57 ALA A O 1 +ATOM 444 C CB . ALA A 1 58 ? 9.715 59.449 148.073 1.00 19.73 ? ? ? ? ? ? 57 ALA A CB 1 +ATOM 445 N N . LEU A 1 59 ? 8.127 61.001 150.453 1.00 24.76 ? ? ? ? ? ? 58 LEU A N 1 +ATOM 446 C CA . LEU A 1 59 ? 6.931 61.087 151.302 1.00 25.88 ? ? ? ? ? ? 58 LEU A CA 1 +ATOM 447 C C . LEU A 1 59 ? 6.349 62.516 151.338 1.00 26.77 ? ? ? ? ? ? 58 LEU A C 1 +ATOM 448 O O . LEU A 1 59 ? 5.150 62.716 151.210 1.00 26.89 ? ? ? ? ? ? 58 LEU A O 1 +ATOM 449 C CB . LEU A 1 59 ? 7.243 60.597 152.725 1.00 24.83 ? ? ? ? ? ? 58 LEU A CB 1 +ATOM 450 C CG . LEU A 1 59 ? 6.089 60.517 153.728 1.00 24.84 ? ? ? ? ? ? 58 LEU A CG 1 +ATOM 451 C CD1 . LEU A 1 59 ? 4.963 59.692 153.208 1.00 24.93 ? ? ? ? ? ? 58 LEU A CD1 1 +ATOM 452 C CD2 . LEU A 1 59 ? 6.547 59.923 155.019 1.00 24.87 ? ? ? ? ? ? 58 LEU A CD2 1 +ATOM 453 N N . SER A 1 60 ? 7.207 63.501 151.547 1.00 27.91 ? ? ? ? ? ? 59 SER A N 1 +ATOM 454 C CA . SER A 1 60 ? 6.748 64.890 151.639 1.00 31.05 ? ? ? ? ? ? 59 SER A CA 1 +ATOM 455 C C . SER A 1 60 ? 6.134 65.366 150.326 1.00 32.05 ? ? ? ? ? ? 59 SER A C 1 +ATOM 456 O O . SER A 1 60 ? 5.089 66.053 150.313 1.00 34.11 ? ? ? ? ? ? 59 SER A O 1 +ATOM 457 C CB . SER A 1 60 ? 7.890 65.832 152.020 1.00 29.06 ? ? ? ? ? ? 59 SER A CB 1 +ATOM 458 O OG . SER A 1 60 ? 8.963 65.762 151.109 1.00 35.88 ? ? ? ? ? ? 59 SER A OG 1 +ATOM 459 N N . ARG A 1 61 ? 6.785 64.989 149.234 1.00 31.63 ? ? ? ? ? ? 60 ARG A N 1 +ATOM 460 C CA . ARG A 1 61 ? 6.468 65.498 147.909 1.00 32.06 ? ? ? ? ? ? 60 ARG A CA 1 +ATOM 461 C C . ARG A 1 61 ? 5.282 64.780 147.288 1.00 31.63 ? ? ? ? ? ? 60 ARG A C 1 +ATOM 462 O O . ARG A 1 61 ? 4.423 65.417 146.725 1.00 32.78 ? ? ? ? ? ? 60 ARG A O 1 +ATOM 463 C CB . ARG A 1 61 ? 7.711 65.364 147.030 1.00 32.08 ? ? ? ? ? ? 60 ARG A CB 1 +ATOM 464 C CG . ARG A 1 61 ? 7.530 65.746 145.579 1.00 37.04 ? ? ? ? ? ? 60 ARG A CG 1 +ATOM 465 C CD . ARG A 1 61 ? 8.881 66.004 144.920 1.00 36.37 ? ? ? ? ? ? 60 ARG A CD 1 +ATOM 466 N NE . ARG A 1 61 ? 9.471 64.779 144.386 1.00 37.71 ? ? ? ? ? ? 60 ARG A NE 1 +ATOM 467 C CZ . ARG A 1 61 ? 10.662 64.723 143.809 1.00 33.97 ? ? ? ? ? ? 60 ARG A CZ 1 +ATOM 468 N NH1 . ARG A 1 61 ? 11.394 65.816 143.691 1.00 36.71 ? ? ? ? ? ? 60 ARG A NH1 1 +ATOM 469 N NH2 . ARG A 1 61 ? 11.115 63.572 143.337 1.00 38.13 ? ? ? ? ? ? 60 ARG A NH2 1 +ATOM 470 N N . SER A 1 62 ? 5.223 63.457 147.414 1.00 30.98 ? ? ? ? ? ? 61 SER A N 1 +ATOM 471 C CA . SER A 1 62 ? 4.210 62.649 146.720 1.00 31.11 ? ? ? ? ? ? 61 SER A CA 1 +ATOM 472 C C . SER A 1 62 ? 3.316 61.803 147.617 1.00 29.17 ? ? ? ? ? ? 61 SER A C 1 +ATOM 473 O O . SER A 1 62 ? 2.442 61.136 147.108 1.00 28.68 ? ? ? ? ? ? 61 SER A O 1 +ATOM 474 C CB . SER A 1 62 ? 4.896 61.702 145.722 1.00 31.50 ? ? ? ? ? ? 61 SER A CB 1 +ATOM 475 O OG . SER A 1 62 ? 5.232 62.366 144.504 1.00 37.60 ? ? ? ? ? ? 61 SER A OG 1 +ATOM 476 N N . GLY A 1 63 ? 3.575 61.770 148.923 1.00 28.24 ? ? ? ? ? ? 62 GLY A N 1 +ATOM 477 C CA . GLY A 1 63 ? 2.902 60.819 149.811 1.00 28.45 ? ? ? ? ? ? 62 GLY A CA 1 +ATOM 478 C C . GLY A 1 63 ? 3.287 59.344 149.633 1.00 28.19 ? ? ? ? ? ? 62 GLY A C 1 +ATOM 479 O O . GLY A 1 63 ? 2.592 58.463 150.122 1.00 29.92 ? ? ? ? ? ? 62 GLY A O 1 +ATOM 480 N N . VAL A 1 64 ? 4.405 59.078 148.963 1.00 27.59 ? ? ? ? ? ? 63 VAL A N 1 +ATOM 481 C CA . VAL A 1 64 ? 4.907 57.716 148.776 1.00 25.76 ? ? ? ? ? ? 63 VAL A CA 1 +ATOM 482 C C . VAL A 1 64 ? 5.833 57.379 149.941 1.00 24.89 ? ? ? ? ? ? 63 VAL A C 1 +ATOM 483 O O . VAL A 1 64 ? 6.845 58.036 150.153 1.00 24.08 ? ? ? ? ? ? 63 VAL A O 1 +ATOM 484 C CB . VAL A 1 64 ? 5.656 57.579 147.415 1.00 25.75 ? ? ? ? ? ? 63 VAL A CB 1 +ATOM 485 C CG1 . VAL A 1 64 ? 6.379 56.273 147.317 1.00 23.29 ? ? ? ? ? ? 63 VAL A CG1 1 +ATOM 486 C CG2 . VAL A 1 64 ? 4.672 57.767 146.229 1.00 24.13 ? ? ? ? ? ? 63 VAL A CG2 1 +ATOM 487 N N . ARG A 1 65 ? 5.506 56.326 150.674 1.00 23.97 ? ? ? ? ? ? 64 ARG A N 1 +ATOM 488 C CA . ARG A 1 65 ? 6.256 55.958 151.865 1.00 23.44 ? ? ? ? ? ? 64 ARG A CA 1 +ATOM 489 C C . ARG A 1 65 ? 7.131 54.706 151.626 1.00 22.74 ? ? ? ? ? ? 64 ARG A C 1 +ATOM 490 O O . ARG A 1 65 ? 6.633 53.638 151.267 1.00 21.79 ? ? ? ? ? ? 64 ARG A O 1 +ATOM 491 C CB . ARG A 1 65 ? 5.298 55.717 153.029 1.00 23.75 ? ? ? ? ? ? 64 ARG A CB 1 +ATOM 492 C CG . ARG A 1 65 ? 5.996 55.432 154.365 1.00 25.16 ? ? ? ? ? ? 64 ARG A CG 1 +ATOM 493 C CD . ARG A 1 65 ? 4.969 55.113 155.444 1.00 25.23 ? ? ? ? ? ? 64 ARG A CD 1 +ATOM 494 N NE . ARG A 1 65 ? 4.155 56.272 155.782 1.00 22.78 ? ? ? ? ? ? 64 ARG A NE 1 +ATOM 495 C CZ . ARG A 1 65 ? 2.838 56.397 155.571 1.00 27.60 ? ? ? ? ? ? 64 ARG A CZ 1 +ATOM 496 N NH1 . ARG A 1 65 ? 2.107 55.448 155.024 1.00 27.45 ? ? ? ? ? ? 64 ARG A NH1 1 +ATOM 497 N NH2 . ARG A 1 65 ? 2.233 57.499 155.935 1.00 26.23 ? ? ? ? ? ? 64 ARG A NH2 1 +ATOM 498 N N . CYS A 1 66 ? 8.423 54.866 151.869 1.00 22.20 ? ? ? ? ? ? 65 CYS A N 1 +ATOM 499 C CA . CYS A 1 66 ? 9.408 53.830 151.678 1.00 23.11 ? ? ? ? ? ? 65 CYS A CA 1 +ATOM 500 C C . CYS A 1 66 ? 10.112 53.481 152.975 1.00 22.79 ? ? ? ? ? ? 65 CYS A C 1 +ATOM 501 O O . CYS A 1 66 ? 10.370 54.341 153.791 1.00 24.07 ? ? ? ? ? ? 65 CYS A O 1 +ATOM 502 C CB . CYS A 1 66 ? 10.443 54.299 150.667 1.00 22.42 ? ? ? ? ? ? 65 CYS A CB 1 +ATOM 503 S SG . CYS A 1 66 ? 9.751 54.793 149.100 1.00 25.04 ? ? ? ? ? ? 65 CYS A SG 1 +ATOM 504 N N . MSE A 1 67 ? 10.472 52.226 153.152 1.00 20.69 ? ? ? ? ? ? 66 MSE A N 1 +ATOM 505 C CA . MSE A 1 67 ? 11.229 51.845 154.313 1.00 18.99 ? ? ? ? ? ? 66 MSE A CA 1 +ATOM 506 C C . MSE A 1 67 ? 12.660 51.587 153.913 1.00 18.77 ? ? ? ? ? ? 66 MSE A C 1 +ATOM 507 O O . MSE A 1 67 ? 12.935 50.786 153.017 1.00 18.18 ? ? ? ? ? ? 66 MSE A O 1 +ATOM 508 C CB . MSE A 1 67 ? 10.638 50.605 154.985 1.00 19.12 ? ? ? ? ? ? 66 MSE A CB 1 +ATOM 509 C CG . MSE A 1 67 ? 11.368 50.156 156.250 1.00 21.76 ? ? ? ? ? ? 66 MSE A CG 1 +ATOM 510 SE SE . MSE A 1 67 ? 11.558 51.547 157.599 0.75 19.75 ? ? ? ? ? ? 66 MSE A SE 1 +ATOM 511 C CE . MSE A 1 67 ? 9.777 51.387 158.560 1.00 18.25 ? ? ? ? ? ? 66 MSE A CE 1 +ATOM 512 N N . VAL A 1 68 ? 13.573 52.247 154.618 1.00 18.67 ? ? ? ? ? ? 67 VAL A N 1 +ATOM 513 C CA . VAL A 1 68 ? 14.992 51.986 154.484 1.00 17.81 ? ? ? ? ? ? 67 VAL A CA 1 +ATOM 514 C C . VAL A 1 68 ? 15.414 50.939 155.509 1.00 18.86 ? ? ? ? ? ? 67 VAL A C 1 +ATOM 515 O O . VAL A 1 68 ? 15.385 51.185 156.696 1.00 18.56 ? ? ? ? ? ? 67 VAL A O 1 +ATOM 516 C CB . VAL A 1 68 ? 15.792 53.276 154.599 1.00 16.92 ? ? ? ? ? ? 67 VAL A CB 1 +ATOM 517 C CG1 . VAL A 1 68 ? 17.323 53.025 154.489 1.00 14.71 ? ? ? ? ? ? 67 VAL A CG1 1 +ATOM 518 C CG2 . VAL A 1 68 ? 15.326 54.215 153.495 1.00 17.37 ? ? ? ? ? ? 67 VAL A CG2 1 +ATOM 519 N N . MSE A 1 69 ? 15.790 49.751 155.027 1.00 18.58 ? ? ? ? ? ? 68 MSE A N 1 +ATOM 520 C CA . MSE A 1 69 ? 16.182 48.642 155.896 1.00 18.01 ? ? ? ? ? ? 68 MSE A CA 1 +ATOM 521 C C . MSE A 1 69 ? 17.595 48.878 156.448 1.00 19.09 ? ? ? ? ? ? 68 MSE A C 1 +ATOM 522 O O . MSE A 1 69 ? 18.283 49.790 155.979 1.00 19.72 ? ? ? ? ? ? 68 MSE A O 1 +ATOM 523 C CB . MSE A 1 69 ? 16.179 47.338 155.116 1.00 17.39 ? ? ? ? ? ? 68 MSE A CB 1 +ATOM 524 C CG . MSE A 1 69 ? 14.872 46.977 154.521 1.00 22.52 ? ? ? ? ? ? 68 MSE A CG 1 +ATOM 525 SE SE . MSE A 1 69 ? 13.509 46.492 155.812 0.75 22.42 ? ? ? ? ? ? 68 MSE A SE 1 +ATOM 526 C CE . MSE A 1 69 ? 14.236 44.771 156.478 1.00 18.65 ? ? ? ? ? ? 68 MSE A CE 1 +ATOM 527 N N . PRO A 1 70 ? 18.015 48.096 157.461 1.00 19.39 ? ? ? ? ? ? 69 PRO A N 1 +ATOM 528 C CA . PRO A 1 70 ? 19.378 48.214 157.950 1.00 21.41 ? ? ? ? ? ? 69 PRO A CA 1 +ATOM 529 C C . PRO A 1 70 ? 20.396 47.824 156.862 1.00 22.15 ? ? ? ? ? ? 69 PRO A C 1 +ATOM 530 O O . PRO A 1 70 ? 20.151 46.865 156.118 1.00 20.89 ? ? ? ? ? ? 69 PRO A O 1 +ATOM 531 C CB . PRO A 1 70 ? 19.440 47.204 159.113 1.00 19.74 ? ? ? ? ? ? 69 PRO A CB 1 +ATOM 532 C CG . PRO A 1 70 ? 18.014 46.969 159.515 1.00 20.96 ? ? ? ? ? ? 69 PRO A CG 1 +ATOM 533 C CD . PRO A 1 70 ? 17.251 47.077 158.213 1.00 19.05 ? ? ? ? ? ? 69 PRO A CD 1 +ATOM 534 N N . PRO A 1 71 ? 21.498 48.575 156.749 1.00 22.25 ? ? ? ? ? ? 70 PRO A N 1 +ATOM 535 C CA . PRO A 1 71 ? 22.483 48.265 155.718 1.00 21.96 ? ? ? ? ? ? 70 PRO A CA 1 +ATOM 536 C C . PRO A 1 71 ? 23.127 46.889 155.844 1.00 21.49 ? ? ? ? ? ? 70 PRO A C 1 +ATOM 537 O O . PRO A 1 71 ? 23.375 46.418 156.962 1.00 23.03 ? ? ? ? ? ? 70 PRO A O 1 +ATOM 538 C CB . PRO A 1 71 ? 23.532 49.353 155.896 1.00 20.50 ? ? ? ? ? ? 70 PRO A CB 1 +ATOM 539 C CG . PRO A 1 71 ? 22.862 50.419 156.647 1.00 23.80 ? ? ? ? ? ? 70 PRO A CG 1 +ATOM 540 C CD . PRO A 1 71 ? 21.875 49.772 157.522 1.00 23.42 ? ? ? ? ? ? 70 PRO A CD 1 +ATOM 541 N N . VAL A 1 72 ? 23.397 46.243 154.714 1.00 20.89 ? ? ? ? ? ? 71 VAL A N 1 +ATOM 542 C CA . VAL A 1 72 ? 24.164 44.968 154.728 1.00 18.28 ? ? ? ? ? ? 71 VAL A CA 1 +ATOM 543 C C . VAL A 1 72 ? 25.665 45.294 154.693 1.00 17.47 ? ? ? ? ? ? 71 VAL A C 1 +ATOM 544 O O . VAL A 1 72 ? 26.174 45.909 153.733 1.00 17.52 ? ? ? ? ? ? 71 VAL A O 1 +ATOM 545 C CB . VAL A 1 72 ? 23.702 44.042 153.598 1.00 18.07 ? ? ? ? ? ? 71 VAL A CB 1 +ATOM 546 C CG1 . VAL A 1 72 ? 24.298 42.630 153.719 1.00 13.60 ? ? ? ? ? ? 71 VAL A CG1 1 +ATOM 547 C CG2 . VAL A 1 72 ? 22.199 43.972 153.619 1.00 15.92 ? ? ? ? ? ? 71 VAL A CG2 1 +ATOM 548 N N . PRO A 1 73 ? 26.401 44.939 155.777 1.00 17.35 ? ? ? ? ? ? 72 PRO A N 1 +ATOM 549 C CA . PRO A 1 73 ? 27.824 45.260 155.760 1.00 17.77 ? ? ? ? ? ? 72 PRO A CA 1 +ATOM 550 C C . PRO A 1 73 ? 28.726 44.212 155.072 1.00 18.45 ? ? ? ? ? ? 72 PRO A C 1 +ATOM 551 O O . PRO A 1 73 ? 29.920 44.172 155.344 1.00 21.21 ? ? ? ? ? ? 72 PRO A O 1 +ATOM 552 C CB . PRO A 1 73 ? 28.153 45.394 157.252 1.00 18.67 ? ? ? ? ? ? 72 PRO A CB 1 +ATOM 553 C CG . PRO A 1 73 ? 27.228 44.423 157.915 1.00 21.42 ? ? ? ? ? ? 72 PRO A CG 1 +ATOM 554 C CD . PRO A 1 73 ? 25.996 44.302 157.046 1.00 17.22 ? ? ? ? ? ? 72 PRO A CD 1 +ATOM 555 N N . PHE A 1 74 ? 28.168 43.406 154.160 1.00 17.95 ? ? ? ? ? ? 73 PHE A N 1 +ATOM 556 C CA . PHE A 1 74 ? 28.911 42.288 153.588 1.00 17.31 ? ? ? ? ? ? 73 PHE A CA 1 +ATOM 557 C C . PHE A 1 74 ? 29.160 42.483 152.114 1.00 17.71 ? ? ? ? ? ? 73 PHE A C 1 +ATOM 558 O O . PHE A 1 74 ? 28.268 42.242 151.275 1.00 18.76 ? ? ? ? ? ? 73 PHE A O 1 +ATOM 559 C CB . PHE A 1 74 ? 28.164 40.995 153.855 1.00 18.32 ? ? ? ? ? ? 73 PHE A CB 1 +ATOM 560 C CG . PHE A 1 74 ? 28.049 40.677 155.294 1.00 21.13 ? ? ? ? ? ? 73 PHE A CG 1 +ATOM 561 C CD1 . PHE A 1 74 ? 29.159 40.271 156.013 1.00 23.77 ? ? ? ? ? ? 73 PHE A CD1 1 +ATOM 562 C CD2 . PHE A 1 74 ? 26.823 40.779 155.955 1.00 22.04 ? ? ? ? ? ? 73 PHE A CD2 1 +ATOM 563 C CE1 . PHE A 1 74 ? 29.048 39.976 157.366 1.00 20.64 ? ? ? ? ? ? 73 PHE A CE1 1 +ATOM 564 C CE2 . PHE A 1 74 ? 26.715 40.479 157.301 1.00 19.60 ? ? ? ? ? ? 73 PHE A CE2 1 +ATOM 565 C CZ . PHE A 1 74 ? 27.831 40.074 158.008 1.00 19.64 ? ? ? ? ? ? 73 PHE A CZ 1 +ATOM 566 N N . GLY A 1 75 ? 30.367 42.957 151.794 1.00 18.51 ? ? ? ? ? ? 74 GLY A N 1 +ATOM 567 C CA . GLY A 1 75 ? 30.747 43.326 150.433 1.00 17.41 ? ? ? ? ? ? 74 GLY A CA 1 +ATOM 568 C C . GLY A 1 75 ? 31.682 42.294 149.826 1.00 17.19 ? ? ? ? ? ? 74 GLY A C 1 +ATOM 569 O O . GLY A 1 75 ? 32.204 41.442 150.533 1.00 16.56 ? ? ? ? ? ? 74 GLY A O 1 +ATOM 570 N N . ALA A 1 76 ? 31.852 42.385 148.502 1.00 17.18 ? ? ? ? ? ? 75 ALA A N 1 +ATOM 571 C CA . ALA A 1 76 ? 32.696 41.504 147.710 1.00 17.15 ? ? ? ? ? ? 75 ALA A CA 1 +ATOM 572 C C . ALA A 1 76 ? 33.975 42.255 147.419 1.00 18.28 ? ? ? ? ? ? 75 ALA A C 1 +ATOM 573 O O . ALA A 1 76 ? 33.931 43.362 146.876 1.00 20.07 ? ? ? ? ? ? 75 ALA A O 1 +ATOM 574 C CB . ALA A 1 76 ? 31.959 41.140 146.395 1.00 17.53 ? ? ? ? ? ? 75 ALA A CB 1 +ATOM 575 N N . HIS A 1 77 ? 35.118 41.695 147.807 1.00 19.55 ? ? ? ? ? ? 76 HIS A N 1 +ATOM 576 C CA . HIS A 1 77 ? 36.408 42.431 147.752 1.00 19.66 ? ? ? ? ? ? 76 HIS A CA 1 +ATOM 577 C C . HIS A 1 77 ? 37.427 41.779 146.828 1.00 20.76 ? ? ? ? ? ? 76 HIS A C 1 +ATOM 578 O O . HIS A 1 77 ? 37.201 40.687 146.295 1.00 20.27 ? ? ? ? ? ? 76 HIS A O 1 +ATOM 579 C CB . HIS A 1 77 ? 36.982 42.667 149.165 1.00 21.02 ? ? ? ? ? ? 76 HIS A CB 1 +ATOM 580 C CG . HIS A 1 77 ? 36.100 43.548 149.982 1.00 21.80 ? ? ? ? ? ? 76 HIS A CG 1 +ATOM 581 N ND1 . HIS A 1 77 ? 35.897 44.876 149.674 1.00 24.29 ? ? ? ? ? ? 76 HIS A ND1 1 +ATOM 582 C CD2 . HIS A 1 77 ? 35.234 43.256 150.976 1.00 23.34 ? ? ? ? ? ? 76 HIS A CD2 1 +ATOM 583 C CE1 . HIS A 1 77 ? 34.989 45.377 150.491 1.00 26.48 ? ? ? ? ? ? 76 HIS A CE1 1 +ATOM 584 N NE2 . HIS A 1 77 ? 34.571 44.413 151.290 1.00 21.86 ? ? ? ? ? ? 76 HIS A NE2 1 +ATOM 585 N N . ASN A 1 78 ? 38.527 42.498 146.647 1.00 20.65 ? ? ? ? ? ? 77 ASN A N 1 +ATOM 586 C CA . ASN A 1 78 ? 39.575 42.190 145.683 1.00 21.19 ? ? ? ? ? ? 77 ASN A CA 1 +ATOM 587 C C . ASN A 1 78 ? 40.772 41.576 146.370 1.00 22.12 ? ? ? ? ? ? 77 ASN A C 1 +ATOM 588 O O . ASN A 1 78 ? 40.896 41.647 147.612 1.00 22.68 ? ? ? ? ? ? 77 ASN A O 1 +ATOM 589 C CB . ASN A 1 78 ? 40.001 43.492 144.963 1.00 21.57 ? ? ? ? ? ? 77 ASN A CB 1 +ATOM 590 C CG . ASN A 1 78 ? 38.969 43.967 143.969 1.00 24.32 ? ? ? ? ? ? 77 ASN A CG 1 +ATOM 591 O OD1 . ASN A 1 78 ? 37.791 43.676 144.116 1.00 28.02 ? ? ? ? ? ? 77 ASN A OD1 1 +ATOM 592 N ND2 . ASN A 1 78 ? 39.398 44.720 142.964 1.00 22.35 ? ? ? ? ? ? 77 ASN A ND2 1 +ATOM 593 N N . PRO A 1 79 ? 41.650 40.945 145.581 1.00 23.25 ? ? ? ? ? ? 78 PRO A N 1 +ATOM 594 C CA . PRO A 1 79 ? 42.908 40.439 146.109 1.00 23.61 ? ? ? ? ? ? 78 PRO A CA 1 +ATOM 595 C C . PRO A 1 79 ? 43.694 41.545 146.772 1.00 23.04 ? ? ? ? ? ? 78 PRO A C 1 +ATOM 596 O O . PRO A 1 79 ? 43.687 42.672 146.248 1.00 23.41 ? ? ? ? ? ? 78 PRO A O 1 +ATOM 597 C CB . PRO A 1 79 ? 43.645 39.977 144.845 1.00 25.03 ? ? ? ? ? ? 78 PRO A CB 1 +ATOM 598 C CG . PRO A 1 79 ? 42.565 39.645 143.891 1.00 23.65 ? ? ? ? ? ? 78 PRO A CG 1 +ATOM 599 C CD . PRO A 1 79 ? 41.521 40.669 144.128 1.00 24.39 ? ? ? ? ? ? 78 PRO A CD 1 +ATOM 600 N N . GLY A 1 80 ? 44.336 41.244 147.909 1.00 22.51 ? ? ? ? ? ? 79 GLY A N 1 +ATOM 601 C CA . GLY A 1 80 ? 45.040 42.263 148.701 1.00 23.29 ? ? ? ? ? ? 79 GLY A CA 1 +ATOM 602 C C . GLY A 1 80 ? 44.207 43.006 149.742 1.00 24.08 ? ? ? ? ? ? 79 GLY A C 1 +ATOM 603 O O . GLY A 1 80 ? 44.749 43.574 150.689 1.00 26.14 ? ? ? ? ? ? 79 GLY A O 1 +ATOM 604 N N . GLN A 1 81 ? 42.881 43.022 149.590 1.00 23.71 ? ? ? ? ? ? 80 GLN A N 1 +ATOM 605 C CA . GLN A 1 81 ? 42.030 43.707 150.554 1.00 23.80 ? ? ? ? ? ? 80 GLN A CA 1 +ATOM 606 C C . GLN A 1 81 ? 41.714 42.840 151.780 1.00 24.79 ? ? ? ? ? ? 80 GLN A C 1 +ATOM 607 O O . GLN A 1 81 ? 41.576 43.362 152.886 1.00 24.92 ? ? ? ? ? ? 80 GLN A O 1 +ATOM 608 C CB . GLN A 1 81 ? 40.713 44.096 149.920 1.00 23.73 ? ? ? ? ? ? 80 GLN A CB 1 +ATOM 609 C CG . GLN A 1 81 ? 40.789 45.150 148.842 1.00 23.37 ? ? ? ? ? ? 80 GLN A CG 1 +ATOM 610 C CD . GLN A 1 81 ? 39.424 45.734 148.562 1.00 23.19 ? ? ? ? ? ? 80 GLN A CD 1 +ATOM 611 O OE1 . GLN A 1 81 ? 38.641 45.189 147.784 1.00 23.23 ? ? ? ? ? ? 80 GLN A OE1 1 +ATOM 612 N NE2 . GLN A 1 81 ? 39.118 46.846 149.222 1.00 24.19 ? ? ? ? ? ? 80 GLN A NE2 1 +ATOM 613 N N . ARG A 1 82 ? 41.549 41.537 151.565 1.00 24.45 ? ? ? ? ? ? 81 ARG A N 1 +ATOM 614 C CA . ARG A 1 82 ? 41.197 40.595 152.632 1.00 26.51 ? ? ? ? ? ? 81 ARG A CA 1 +ATOM 615 C C . ARG A 1 82 ? 42.264 40.531 153.741 1.00 26.39 ? ? ? ? ? ? 81 ARG A C 1 +ATOM 616 O O . ARG A 1 82 ? 41.952 40.290 154.942 1.00 27.66 ? ? ? ? ? ? 81 ARG A O 1 +ATOM 617 C CB . ARG A 1 82 ? 40.988 39.206 152.004 1.00 27.40 ? ? ? ? ? ? 81 ARG A CB 1 +ATOM 618 C CG . ARG A 1 82 ? 40.403 38.159 152.917 1.00 30.64 ? ? ? ? ? ? 81 ARG A CG 1 +ATOM 619 C CD . ARG A 1 82 ? 40.127 36.884 152.181 1.00 28.82 ? ? ? ? ? ? 81 ARG A CD 1 +ATOM 620 N NE . ARG A 1 82 ? 41.351 36.261 151.675 1.00 37.10 ? ? ? ? ? ? 81 ARG A NE 1 +ATOM 621 C CZ . ARG A 1 82 ? 41.470 34.975 151.341 1.00 38.00 ? ? ? ? ? ? 81 ARG A CZ 1 +ATOM 622 N NH1 . ARG A 1 82 ? 40.451 34.139 151.479 1.00 34.21 ? ? ? ? ? ? 81 ARG A NH1 1 +ATOM 623 N NH2 . ARG A 1 82 ? 42.639 34.510 150.889 1.00 40.64 ? ? ? ? ? ? 81 ARG A NH2 1 +ATOM 624 N N . GLU A 1 83 ? 43.517 40.726 153.352 1.00 26.75 ? ? ? ? ? ? 82 GLU A N 1 +ATOM 625 C CA . GLU A 1 83 ? 44.630 40.761 154.308 1.00 29.69 ? ? ? ? ? ? 82 GLU A CA 1 +ATOM 626 C C . GLU A 1 83 ? 44.672 42.040 155.187 1.00 26.69 ? ? ? ? ? ? 82 GLU A C 1 +ATOM 627 O O . GLU A 1 83 ? 45.314 42.035 156.223 1.00 26.39 ? ? ? ? ? ? 82 GLU A O 1 +ATOM 628 C CB . GLU A 1 83 ? 45.968 40.546 153.580 1.00 31.77 ? ? ? ? ? ? 82 GLU A CB 1 +ATOM 629 C CG . GLU A 1 83 ? 46.435 41.751 152.726 1.00 37.86 ? ? ? ? ? ? 82 GLU A CG 1 +ATOM 630 C CD . GLU A 1 83 ? 47.686 41.469 151.855 1.00 40.00 ? ? ? ? ? ? 82 GLU A CD 1 +ATOM 631 O OE1 . GLU A 1 83 ? 47.698 40.466 151.084 1.00 55.68 ? ? ? ? ? ? 82 GLU A OE1 1 +ATOM 632 O OE2 . GLU A 1 83 ? 48.642 42.278 151.917 1.00 50.44 ? ? ? ? ? ? 82 GLU A OE2 1 +ATOM 633 N N . LEU A 1 84 ? 44.003 43.125 154.790 1.00 24.99 ? ? ? ? ? ? 83 LEU A N 1 +ATOM 634 C CA . LEU A 1 84 ? 43.965 44.352 155.614 1.00 24.19 ? ? ? ? ? ? 83 LEU A CA 1 +ATOM 635 C C . LEU A 1 84 ? 43.094 44.123 156.844 1.00 23.55 ? ? ? ? ? ? 83 LEU A C 1 +ATOM 636 O O . LEU A 1 84 ? 42.008 43.547 156.745 1.00 21.67 ? ? ? ? ? ? 83 LEU A O 1 +ATOM 637 C CB . LEU A 1 84 ? 43.368 45.524 154.840 1.00 24.68 ? ? ? ? ? ? 83 LEU A CB 1 +ATOM 638 C CG . LEU A 1 84 ? 44.142 45.921 153.584 1.00 29.25 ? ? ? ? ? ? 83 LEU A CG 1 +ATOM 639 C CD1 . LEU A 1 84 ? 43.294 46.812 152.709 1.00 25.06 ? ? ? ? ? ? 83 LEU A CD1 1 +ATOM 640 C CD2 . LEU A 1 84 ? 45.486 46.575 154.016 1.00 30.09 ? ? ? ? ? ? 83 LEU A CD2 1 +ATOM 641 N N . PRO A 1 85 ? 43.536 44.605 158.003 1.00 23.44 ? ? ? ? ? ? 84 PRO A N 1 +ATOM 642 C CA . PRO A 1 85 ? 42.765 44.297 159.203 1.00 23.01 ? ? ? ? ? ? 84 PRO A CA 1 +ATOM 643 C C . PRO A 1 85 ? 41.303 44.734 159.126 1.00 21.67 ? ? ? ? ? ? 84 PRO A C 1 +ATOM 644 O O . PRO A 1 85 ? 40.985 45.865 158.713 1.00 21.18 ? ? ? ? ? ? 84 PRO A O 1 +ATOM 645 C CB . PRO A 1 85 ? 43.490 45.071 160.305 1.00 23.35 ? ? ? ? ? ? 84 PRO A CB 1 +ATOM 646 C CG . PRO A 1 85 ? 44.338 46.052 159.611 1.00 27.29 ? ? ? ? ? ? 84 PRO A CG 1 +ATOM 647 C CD . PRO A 1 85 ? 44.715 45.433 158.307 1.00 25.53 ? ? ? ? ? ? 84 PRO A CD 1 +ATOM 648 N N . PHE A 1 86 ? 40.448 43.807 159.534 1.00 21.77 ? ? ? ? ? ? 85 PHE A N 1 +ATOM 649 C CA . PHE A 1 86 ? 38.973 43.968 159.611 1.00 20.85 ? ? ? ? ? ? 85 PHE A CA 1 +ATOM 650 C C . PHE A 1 86 ? 38.226 44.114 158.281 1.00 20.81 ? ? ? ? ? ? 85 PHE A C 1 +ATOM 651 O O . PHE A 1 86 ? 37.025 44.390 158.253 1.00 22.19 ? ? ? ? ? ? 85 PHE A O 1 +ATOM 652 C CB . PHE A 1 86 ? 38.632 45.082 160.601 1.00 23.20 ? ? ? ? ? ? 85 PHE A CB 1 +ATOM 653 C CG . PHE A 1 86 ? 39.466 45.045 161.825 1.00 21.36 ? ? ? ? ? ? 85 PHE A CG 1 +ATOM 654 C CD1 . PHE A 1 86 ? 39.429 43.942 162.672 1.00 27.62 ? ? ? ? ? ? 85 PHE A CD1 1 +ATOM 655 C CD2 . PHE A 1 86 ? 40.321 46.094 162.136 1.00 22.10 ? ? ? ? ? ? 85 PHE A CD2 1 +ATOM 656 C CE1 . PHE A 1 86 ? 40.242 43.911 163.826 1.00 22.81 ? ? ? ? ? ? 85 PHE A CE1 1 +ATOM 657 C CE2 . PHE A 1 86 ? 41.107 46.055 163.273 1.00 25.18 ? ? ? ? ? ? 85 PHE A CE2 1 +ATOM 658 C CZ . PHE A 1 86 ? 41.063 44.971 164.110 1.00 20.03 ? ? ? ? ? ? 85 PHE A CZ 1 +ATOM 659 N N . CYS A 1 87 ? 38.918 43.872 157.171 1.00 21.33 ? ? ? ? ? ? 86 CYS A N 1 +ATOM 660 C CA . CYS A 1 87 ? 38.259 43.778 155.887 1.00 21.15 ? ? ? ? ? ? 86 CYS A CA 1 +ATOM 661 C C . CYS A 1 87 ? 37.610 42.403 155.734 1.00 21.32 ? ? ? ? ? ? 86 CYS A C 1 +ATOM 662 O O . CYS A 1 87 ? 38.281 41.373 155.857 1.00 22.61 ? ? ? ? ? ? 86 CYS A O 1 +ATOM 663 C CB . CYS A 1 87 ? 39.235 44.007 154.750 1.00 21.71 ? ? ? ? ? ? 86 CYS A CB 1 +ATOM 664 S SG . CYS A 1 87 ? 38.365 44.074 153.197 1.00 25.59 ? ? ? ? ? ? 86 CYS A SG 1 +ATOM 665 N N . ILE A 1 88 ? 36.292 42.391 155.474 1.00 19.48 ? ? ? ? ? ? 87 ILE A N 1 +ATOM 666 C CA . ILE A 1 88 ? 35.546 41.139 155.380 1.00 19.43 ? ? ? ? ? ? 87 ILE A CA 1 +ATOM 667 C C . ILE A 1 88 ? 35.122 40.892 153.940 1.00 19.12 ? ? ? ? ? ? 87 ILE A C 1 +ATOM 668 O O . ILE A 1 88 ? 34.144 41.508 153.467 1.00 18.84 ? ? ? ? ? ? 87 ILE A O 1 +ATOM 669 C CB . ILE A 1 88 ? 34.274 41.143 156.289 1.00 20.99 ? ? ? ? ? ? 87 ILE A CB 1 +ATOM 670 C CG1 . ILE A 1 88 ? 34.646 41.450 157.747 1.00 20.87 ? ? ? ? ? ? 87 ILE A CG1 1 +ATOM 671 C CG2 . ILE A 1 88 ? 33.470 39.816 156.123 1.00 17.02 ? ? ? ? ? ? 87 ILE A CG2 1 +ATOM 672 C CD1 . ILE A 1 88 ? 35.534 40.419 158.466 1.00 17.59 ? ? ? ? ? ? 87 ILE A CD1 1 +ATOM 673 N N . HIS A 1 89 ? 35.839 39.976 153.261 1.00 18.70 ? ? ? ? ? ? 88 HIS A N 1 +ATOM 674 C CA . HIS A 1 89 ? 35.410 39.490 151.944 1.00 18.32 ? ? ? ? ? ? 88 HIS A CA 1 +ATOM 675 C C . HIS A 1 89 ? 34.203 38.584 152.073 1.00 17.35 ? ? ? ? ? ? 88 HIS A C 1 +ATOM 676 O O . HIS A 1 89 ? 34.216 37.655 152.859 1.00 17.62 ? ? ? ? ? ? 88 HIS A O 1 +ATOM 677 C CB . HIS A 1 89 ? 36.511 38.739 151.187 1.00 17.11 ? ? ? ? ? ? 88 HIS A CB 1 +ATOM 678 C CG . HIS A 1 89 ? 36.022 38.156 149.902 1.00 20.26 ? ? ? ? ? ? 88 HIS A CG 1 +ATOM 679 N ND1 . HIS A 1 89 ? 35.553 38.938 148.871 1.00 19.52 ? ? ? ? ? ? 88 HIS A ND1 1 +ATOM 680 C CD2 . HIS A 1 89 ? 35.815 36.871 149.524 1.00 20.31 ? ? ? ? ? ? 88 HIS A CD2 1 +ATOM 681 C CE1 . HIS A 1 89 ? 35.132 38.163 147.891 1.00 23.17 ? ? ? ? ? ? 88 HIS A CE1 1 +ATOM 682 N NE2 . HIS A 1 89 ? 35.292 36.903 148.260 1.00 22.27 ? ? ? ? ? ? 88 HIS A NE2 1 +ATOM 683 N N . THR A 1 90 ? 33.175 38.849 151.284 1.00 17.32 ? ? ? ? ? ? 89 THR A N 1 +ATOM 684 C CA . THR A 1 90 ? 31.958 38.053 151.293 1.00 17.29 ? ? ? ? ? ? 89 THR A CA 1 +ATOM 685 C C . THR A 1 90 ? 31.867 37.396 149.925 1.00 16.95 ? ? ? ? ? ? 89 THR A C 1 +ATOM 686 O O . THR A 1 90 ? 31.898 38.113 148.917 1.00 17.07 ? ? ? ? ? ? 89 THR A O 1 +ATOM 687 C CB . THR A 1 90 ? 30.724 38.976 151.513 1.00 18.28 ? ? ? ? ? ? 89 THR A CB 1 +ATOM 688 O OG1 . THR A 1 90 ? 31.006 39.897 152.587 1.00 20.48 ? ? ? ? ? ? 89 THR A OG1 1 +ATOM 689 C CG2 . THR A 1 90 ? 29.471 38.205 151.854 1.00 14.85 ? ? ? ? ? ? 89 THR A CG2 1 +ATOM 690 N N . ARG A 1 91 ? 31.723 36.061 149.887 1.00 14.52 ? ? ? ? ? ? 90 ARG A N 1 +ATOM 691 C CA . ARG A 1 91 ? 31.533 35.353 148.639 1.00 15.89 ? ? ? ? ? ? 90 ARG A CA 1 +ATOM 692 C C . ARG A 1 91 ? 30.201 35.659 148.001 1.00 16.78 ? ? ? ? ? ? 90 ARG A C 1 +ATOM 693 O O . ARG A 1 91 ? 29.214 35.915 148.692 1.00 16.42 ? ? ? ? ? ? 90 ARG A O 1 +ATOM 694 C CB . ARG A 1 91 ? 31.584 33.838 148.860 1.00 18.06 ? ? ? ? ? ? 90 ARG A CB 1 +ATOM 695 C CG . ARG A 1 91 ? 32.879 33.285 149.219 1.00 17.92 ? ? ? ? ? ? 90 ARG A CG 1 +ATOM 696 C CD . ARG A 1 91 ? 32.682 31.807 149.652 1.00 22.82 ? ? ? ? ? ? 90 ARG A CD 1 +ATOM 697 N NE . ARG A 1 91 ? 32.113 31.725 151.006 1.00 25.56 ? ? ? ? ? ? 90 ARG A NE 1 +ATOM 698 C CZ . ARG A 1 91 ? 31.829 30.603 151.663 1.00 25.53 ? ? ? ? ? ? 90 ARG A CZ 1 +ATOM 699 N NH1 . ARG A 1 91 ? 32.041 29.413 151.118 1.00 25.64 ? ? ? ? ? ? 90 ARG A NH1 1 +ATOM 700 N NH2 . ARG A 1 91 ? 31.308 30.680 152.885 1.00 26.16 ? ? ? ? ? ? 90 ARG A NH2 1 +ATOM 701 N N . TYR A 1 92 ? 30.139 35.564 146.681 1.00 17.66 ? ? ? ? ? ? 91 TYR A N 1 +ATOM 702 C CA . TYR A 1 92 ? 28.867 35.855 145.964 1.00 17.42 ? ? ? ? ? ? 91 TYR A CA 1 +ATOM 703 C C . TYR A 1 92 ? 27.711 34.980 146.463 1.00 15.54 ? ? ? ? ? ? 91 TYR A C 1 +ATOM 704 O O . TYR A 1 92 ? 26.572 35.474 146.596 1.00 17.35 ? ? ? ? ? ? 91 TYR A O 1 +ATOM 705 C CB . TYR A 1 92 ? 29.038 35.667 144.438 1.00 18.45 ? ? ? ? ? ? 91 TYR A CB 1 +ATOM 706 C CG . TYR A 1 92 ? 27.862 36.132 143.573 1.00 19.59 ? ? ? ? ? ? 91 TYR A CG 1 +ATOM 707 C CD1 . TYR A 1 92 ? 26.723 35.358 143.398 1.00 18.91 ? ? ? ? ? ? 91 TYR A CD1 1 +ATOM 708 C CD2 . TYR A 1 92 ? 27.939 37.329 142.890 1.00 23.71 ? ? ? ? ? ? 91 TYR A CD2 1 +ATOM 709 C CE1 . TYR A 1 92 ? 25.653 35.819 142.561 1.00 23.22 ? ? ? ? ? ? 91 TYR A CE1 1 +ATOM 710 C CE2 . TYR A 1 92 ? 26.922 37.774 142.071 1.00 25.20 ? ? ? ? ? ? 91 TYR A CE2 1 +ATOM 711 C CZ . TYR A 1 92 ? 25.779 37.020 141.910 1.00 24.10 ? ? ? ? ? ? 91 TYR A CZ 1 +ATOM 712 O OH . TYR A 1 92 ? 24.799 37.573 141.090 1.00 31.18 ? ? ? ? ? ? 91 TYR A OH 1 +ATOM 713 N N . ALA A 1 93 ? 27.988 33.695 146.705 1.00 16.05 ? ? ? ? ? ? 92 ALA A N 1 +ATOM 714 C CA . ALA A 1 93 ? 26.999 32.754 147.214 1.00 15.84 ? ? ? ? ? ? 92 ALA A CA 1 +ATOM 715 C C . ALA A 1 93 ? 26.463 33.151 148.595 1.00 15.47 ? ? ? ? ? ? 92 ALA A C 1 +ATOM 716 O O . ALA A 1 93 ? 25.280 32.938 148.887 1.00 15.78 ? ? ? ? ? ? 92 ALA A O 1 +ATOM 717 C CB . ALA A 1 93 ? 27.574 31.306 147.271 1.00 17.84 ? ? ? ? ? ? 92 ALA A CB 1 +ATOM 718 N N . THR A 1 94 ? 27.334 33.685 149.446 1.00 15.50 ? ? ? ? ? ? 93 THR A N 1 +ATOM 719 C CA . THR A 1 94 ? 26.929 34.179 150.753 1.00 14.66 ? ? ? ? ? ? 93 THR A CA 1 +ATOM 720 C C . THR A 1 94 ? 25.978 35.355 150.578 1.00 15.85 ? ? ? ? ? ? 93 THR A C 1 +ATOM 721 O O . THR A 1 94 ? 24.908 35.396 151.205 1.00 15.57 ? ? ? ? ? ? 93 THR A O 1 +ATOM 722 C CB . THR A 1 94 ? 28.116 34.642 151.598 1.00 14.14 ? ? ? ? ? ? 93 THR A CB 1 +ATOM 723 O OG1 . THR A 1 94 ? 29.052 33.572 151.697 1.00 11.67 ? ? ? ? ? ? 93 THR A OG1 1 +ATOM 724 C CG2 . THR A 1 94 ? 27.643 35.117 153.018 1.00 12.27 ? ? ? ? ? ? 93 THR A CG2 1 +ATOM 725 N N . GLN A 1 95 ? 26.374 36.294 149.706 1.00 16.60 ? ? ? ? ? ? 94 GLN A N 1 +ATOM 726 C CA . GLN A 1 95 ? 25.547 37.451 149.408 1.00 15.36 ? ? ? ? ? ? 94 GLN A CA 1 +ATOM 727 C C . GLN A 1 95 ? 24.207 37.040 148.861 1.00 15.37 ? ? ? ? ? ? 94 GLN A C 1 +ATOM 728 O O . GLN A 1 95 ? 23.208 37.639 149.237 1.00 16.07 ? ? ? ? ? ? 94 GLN A O 1 +ATOM 729 C CB . GLN A 1 95 ? 26.238 38.417 148.441 1.00 14.91 ? ? ? ? ? ? 94 GLN A CB 1 +ATOM 730 C CG . GLN A 1 95 ? 27.485 39.078 148.992 1.00 14.85 ? ? ? ? ? ? 94 GLN A CG 1 +ATOM 731 C CD . GLN A 1 95 ? 28.031 40.077 148.028 1.00 15.96 ? ? ? ? ? ? 94 GLN A CD 1 +ATOM 732 O OE1 . GLN A 1 95 ? 28.001 39.855 146.836 1.00 23.85 ? ? ? ? ? ? 94 GLN A OE1 1 +ATOM 733 N NE2 . GLN A 1 95 ? 28.463 41.224 148.530 1.00 18.68 ? ? ? ? ? ? 94 GLN A NE2 1 +ATOM 734 N N . GLN A 1 96 ? 24.178 36.045 147.977 1.00 16.16 ? ? ? ? ? ? 95 GLN A N 1 +ATOM 735 C CA . GLN A 1 96 ? 22.931 35.565 147.372 1.00 16.93 ? ? ? ? ? ? 95 GLN A CA 1 +ATOM 736 C C . GLN A 1 96 ? 21.996 34.941 148.433 1.00 15.58 ? ? ? ? ? ? 95 GLN A C 1 +ATOM 737 O O . GLN A 1 96 ? 20.789 35.129 148.390 1.00 16.61 ? ? ? ? ? ? 95 GLN A O 1 +ATOM 738 C CB . GLN A 1 96 ? 23.234 34.555 146.243 1.00 17.06 ? ? ? ? ? ? 95 GLN A CB 1 +ATOM 739 C CG . GLN A 1 96 ? 22.004 34.225 145.417 1.00 19.82 ? ? ? ? ? ? 95 GLN A CG 1 +ATOM 740 C CD . GLN A 1 96 ? 22.247 33.292 144.233 1.00 26.58 ? ? ? ? ? ? 95 GLN A CD 1 +ATOM 741 O OE1 . GLN A 1 96 ? 22.767 33.688 143.185 1.00 35.55 ? ? ? ? ? ? 95 GLN A OE1 1 +ATOM 742 N NE2 . GLN A 1 96 ? 21.806 32.041 144.387 1.00 39.55 ? ? ? ? ? ? 95 GLN A NE2 1 +ATOM 743 N N . ALA A 1 97 ? 22.582 34.174 149.354 1.00 15.75 ? ? ? ? ? ? 96 ALA A N 1 +ATOM 744 C CA . ALA A 1 97 ? 21.856 33.613 150.483 1.00 15.42 ? ? ? ? ? ? 96 ALA A CA 1 +ATOM 745 C C . ALA A 1 97 ? 21.180 34.705 151.313 1.00 16.22 ? ? ? ? ? ? 96 ALA A C 1 +ATOM 746 O O . ALA A 1 97 ? 20.021 34.572 151.687 1.00 14.78 ? ? ? ? ? ? 96 ALA A O 1 +ATOM 747 C CB . ALA A 1 97 ? 22.800 32.790 151.368 1.00 14.14 ? ? ? ? ? ? 96 ALA A CB 1 +ATOM 748 N N . ILE A 1 98 ? 21.916 35.779 151.605 1.00 16.13 ? ? ? ? ? ? 97 ILE A N 1 +ATOM 749 C CA . ILE A 1 98 ? 21.386 36.943 152.349 1.00 14.68 ? ? ? ? ? ? 97 ILE A CA 1 +ATOM 750 C C . ILE A 1 98 ? 20.197 37.545 151.617 1.00 16.05 ? ? ? ? ? ? 97 ILE A C 1 +ATOM 751 O O . ILE A 1 98 ? 19.114 37.693 152.208 1.00 15.56 ? ? ? ? ? ? 97 ILE A O 1 +ATOM 752 C CB . ILE A 1 98 ? 22.459 38.005 152.577 1.00 15.97 ? ? ? ? ? ? 97 ILE A CB 1 +ATOM 753 C CG1 . ILE A 1 98 ? 23.507 37.471 153.563 1.00 18.69 ? ? ? ? ? ? 97 ILE A CG1 1 +ATOM 754 C CG2 . ILE A 1 98 ? 21.873 39.257 153.158 1.00 17.05 ? ? ? ? ? ? 97 ILE A CG2 1 +ATOM 755 C CD1 . ILE A 1 98 ? 24.771 38.287 153.662 1.00 11.91 ? ? ? ? ? ? 97 ILE A CD1 1 +ATOM 756 N N . LEU A 1 99 ? 20.370 37.854 150.332 1.00 16.41 ? ? ? ? ? ? 98 LEU A N 1 +ATOM 757 C CA . LEU A 1 99 ? 19.273 38.481 149.556 1.00 16.72 ? ? ? ? ? ? 98 LEU A CA 1 +ATOM 758 C C . LEU A 1 99 ? 18.062 37.575 149.394 1.00 17.26 ? ? ? ? ? ? 98 LEU A C 1 +ATOM 759 O O . LEU A 1 99 ? 16.928 38.022 149.486 1.00 18.34 ? ? ? ? ? ? 98 LEU A O 1 +ATOM 760 C CB . LEU A 1 99 ? 19.793 38.971 148.198 1.00 17.26 ? ? ? ? ? ? 98 LEU A CB 1 +ATOM 761 C CG . LEU A 1 99 ? 18.749 39.699 147.343 1.00 17.80 ? ? ? ? ? ? 98 LEU A CG 1 +ATOM 762 C CD1 . LEU A 1 99 ? 18.258 40.941 148.034 1.00 13.63 ? ? ? ? ? ? 98 LEU A CD1 1 +ATOM 763 C CD2 . LEU A 1 99 ? 19.269 39.994 145.927 1.00 16.53 ? ? ? ? ? ? 98 LEU A CD2 1 +ATOM 764 N N . GLU A 1 100 ? 18.279 36.282 149.167 1.00 18.18 ? ? ? ? ? ? 99 GLU A N 1 +ATOM 765 C CA . GLU A 1 100 ? 17.167 35.283 149.233 1.00 18.22 ? ? ? ? ? ? 99 GLU A CA 1 +ATOM 766 C C . GLU A 1 100 ? 16.346 35.327 150.526 1.00 17.65 ? ? ? ? ? ? 99 GLU A C 1 +ATOM 767 O O . GLU A 1 100 ? 15.136 35.218 150.516 1.00 17.29 ? ? ? ? ? ? 99 GLU A O 1 +ATOM 768 C CB . GLU A 1 100 ? 17.740 33.857 149.058 1.00 18.04 ? ? ? ? ? ? 99 GLU A CB 1 +ATOM 769 C CG . GLU A 1 100 ? 18.070 33.534 147.634 1.00 17.10 ? ? ? ? ? ? 99 GLU A CG 1 +ATOM 770 C CD . GLU A 1 100 ? 18.811 32.205 147.401 1.00 22.27 ? ? ? ? ? ? 99 GLU A CD 1 +ATOM 771 O OE1 . GLU A 1 100 ? 19.167 31.460 148.353 1.00 23.59 ? ? ? ? ? ? 99 GLU A OE1 1 +ATOM 772 O OE2 . GLU A 1 100 ? 19.083 31.934 146.212 1.00 27.91 ? ? ? ? ? ? 99 GLU A OE2 1 +ATOM 773 N N . ASP A 1 101 ? 17.017 35.443 151.661 1.00 17.28 ? ? ? ? ? ? 100 ASP A N 1 +ATOM 774 C CA . ASP A 1 101 ? 16.337 35.462 152.955 1.00 17.09 ? ? ? ? ? ? 100 ASP A CA 1 +ATOM 775 C C . ASP A 1 101 ? 15.564 36.773 153.146 1.00 17.62 ? ? ? ? ? ? 100 ASP A C 1 +ATOM 776 O O . ASP A 1 101 ? 14.402 36.780 153.571 1.00 18.00 ? ? ? ? ? ? 100 ASP A O 1 +ATOM 777 C CB . ASP A 1 101 ? 17.367 35.191 154.092 1.00 18.81 ? ? ? ? ? ? 100 ASP A CB 1 +ATOM 778 C CG . ASP A 1 101 ? 17.799 33.706 154.158 1.00 20.34 ? ? ? ? ? ? 100 ASP A CG 1 +ATOM 779 O OD1 . ASP A 1 101 ? 17.206 32.911 153.446 1.00 23.82 ? ? ? ? ? ? 100 ASP A OD1 1 +ATOM 780 O OD2 . ASP A 1 101 ? 18.733 33.316 154.886 1.00 22.92 ? ? ? ? ? ? 100 ASP A OD2 1 +ATOM 781 N N . ILE A 1 102 ? 16.193 37.882 152.792 1.00 17.41 ? ? ? ? ? ? 101 ILE A N 1 +ATOM 782 C CA . ILE A 1 102 ? 15.500 39.167 152.757 1.00 16.01 ? ? ? ? ? ? 101 ILE A CA 1 +ATOM 783 C C . ILE A 1 102 ? 14.253 39.160 151.850 1.00 17.07 ? ? ? ? ? ? 101 ILE A C 1 +ATOM 784 O O . ILE A 1 102 ? 13.165 39.543 152.296 1.00 18.07 ? ? ? ? ? ? 101 ILE A O 1 +ATOM 785 C CB . ILE A 1 102 ? 16.450 40.332 152.354 1.00 15.52 ? ? ? ? ? ? 101 ILE A CB 1 +ATOM 786 C CG1 . ILE A 1 102 ? 17.544 40.495 153.422 1.00 16.25 ? ? ? ? ? ? 101 ILE A CG1 1 +ATOM 787 C CG2 . ILE A 1 102 ? 15.684 41.648 152.210 1.00 15.56 ? ? ? ? ? ? 101 ILE A CG2 1 +ATOM 788 C CD1 . ILE A 1 102 ? 18.629 41.503 153.086 1.00 16.16 ? ? ? ? ? ? 101 ILE A CD1 1 +ATOM 789 N N . VAL A 1 103 ? 14.388 38.697 150.605 1.00 17.38 ? ? ? ? ? ? 102 VAL A N 1 +ATOM 790 C CA . VAL A 1 103 ? 13.276 38.731 149.657 1.00 17.15 ? ? ? ? ? ? 102 VAL A CA 1 +ATOM 791 C C . VAL A 1 103 ? 12.170 37.775 150.105 1.00 18.19 ? ? ? ? ? ? 102 VAL A C 1 +ATOM 792 O O . VAL A 1 103 ? 10.979 38.100 150.011 1.00 19.04 ? ? ? ? ? ? 102 VAL A O 1 +ATOM 793 C CB . VAL A 1 103 ? 13.750 38.407 148.198 1.00 18.74 ? ? ? ? ? ? 102 VAL A CB 1 +ATOM 794 C CG1 . VAL A 1 103 ? 12.537 38.203 147.235 1.00 13.64 ? ? ? ? ? ? 102 VAL A CG1 1 +ATOM 795 C CG2 . VAL A 1 103 ? 14.712 39.495 147.688 1.00 12.56 ? ? ? ? ? ? 102 VAL A CG2 1 +ATOM 796 N N . SER A 1 104 ? 12.556 36.607 150.612 1.00 17.11 ? ? ? ? ? ? 103 SER A N 1 +ATOM 797 C CA . SER A 1 104 ? 11.582 35.619 151.105 1.00 18.31 ? ? ? ? ? ? 103 SER A CA 1 +ATOM 798 C C . SER A 1 104 ? 10.684 36.157 152.236 1.00 18.44 ? ? ? ? ? ? 103 SER A C 1 +ATOM 799 O O . SER A 1 104 ? 9.485 35.936 152.275 1.00 19.29 ? ? ? ? ? ? 103 SER A O 1 +ATOM 800 C CB . SER A 1 104 ? 12.323 34.370 151.594 1.00 17.92 ? ? ? ? ? ? 103 SER A CB 1 +ATOM 801 O OG . SER A 1 104 ? 11.395 33.507 152.249 1.00 27.67 ? ? ? ? ? ? 103 SER A OG 1 +ATOM 802 N N . SER A 1 105 ? 11.303 36.872 153.165 1.00 18.81 ? ? ? ? ? ? 104 SER A N 1 +ATOM 803 C CA . SER A 1 105 ? 10.608 37.479 154.281 1.00 18.04 ? ? ? ? ? ? 104 SER A CA 1 +ATOM 804 C C . SER A 1 105 ? 9.722 38.615 153.826 1.00 17.48 ? ? ? ? ? ? 104 SER A C 1 +ATOM 805 O O . SER A 1 105 ? 8.530 38.683 154.200 1.00 17.49 ? ? ? ? ? ? 104 SER A O 1 +ATOM 806 C CB . SER A 1 105 ? 11.622 37.981 155.301 1.00 19.52 ? ? ? ? ? ? 104 SER A CB 1 +ATOM 807 O OG . SER A 1 105 ? 12.182 36.905 156.029 1.00 20.36 ? ? ? ? ? ? 104 SER A OG 1 +ATOM 808 N N . LEU A 1 106 ? 10.298 39.516 153.032 1.00 17.61 ? ? ? ? ? ? 105 LEU A N 1 +ATOM 809 C CA . LEU A 1 106 ? 9.558 40.694 152.556 1.00 17.43 ? ? ? ? ? ? 105 LEU A CA 1 +ATOM 810 C C . LEU A 1 106 ? 8.351 40.275 151.707 1.00 18.62 ? ? ? ? ? ? 105 LEU A C 1 +ATOM 811 O O . LEU A 1 106 ? 7.287 40.900 151.737 1.00 18.73 ? ? ? ? ? ? 105 LEU A O 1 +ATOM 812 C CB . LEU A 1 106 ? 10.497 41.614 151.777 1.00 16.88 ? ? ? ? ? ? 105 LEU A CB 1 +ATOM 813 C CG . LEU A 1 106 ? 11.594 42.402 152.508 1.00 20.31 ? ? ? ? ? ? 105 LEU A CG 1 +ATOM 814 C CD1 . LEU A 1 106 ? 12.425 43.162 151.479 1.00 15.73 ? ? ? ? ? ? 105 LEU A CD1 1 +ATOM 815 C CD2 . LEU A 1 106 ? 10.973 43.339 153.551 1.00 13.59 ? ? ? ? ? ? 105 LEU A CD2 1 +ATOM 816 N N . HIS A 1 107 ? 8.511 39.183 150.962 1.00 19.72 ? ? ? ? ? ? 106 HIS A N 1 +ATOM 817 C CA . HIS A 1 107 ? 7.443 38.645 150.136 1.00 21.30 ? ? ? ? ? ? 106 HIS A CA 1 +ATOM 818 C C . HIS A 1 107 ? 6.279 38.102 150.988 1.00 21.05 ? ? ? ? ? ? 106 HIS A C 1 +ATOM 819 O O . HIS A 1 107 ? 5.105 38.362 150.688 1.00 22.53 ? ? ? ? ? ? 106 HIS A O 1 +ATOM 820 C CB . HIS A 1 107 ? 7.995 37.569 149.173 1.00 20.98 ? ? ? ? ? ? 106 HIS A CB 1 +ATOM 821 C CG . HIS A 1 107 ? 7.008 37.159 148.134 1.00 20.92 ? ? ? ? ? ? 106 HIS A CG 1 +ATOM 822 N ND1 . HIS A 1 107 ? 6.071 36.170 148.350 1.00 25.43 ? ? ? ? ? ? 106 HIS A ND1 1 +ATOM 823 C CD2 . HIS A 1 107 ? 6.744 37.671 146.908 1.00 24.21 ? ? ? ? ? ? 106 HIS A CD2 1 +ATOM 824 C CE1 . HIS A 1 107 ? 5.290 36.074 147.288 1.00 28.09 ? ? ? ? ? ? 106 HIS A CE1 1 +ATOM 825 N NE2 . HIS A 1 107 ? 5.683 36.967 146.395 1.00 25.09 ? ? ? ? ? ? 106 HIS A NE2 1 +ATOM 826 N N . VAL A 1 108 ? 6.608 37.358 152.040 1.00 21.52 ? ? ? ? ? ? 107 VAL A N 1 +ATOM 827 C CA . VAL A 1 108 ? 5.611 36.838 152.984 1.00 21.63 ? ? ? ? ? ? 107 VAL A CA 1 +ATOM 828 C C . VAL A 1 108 ? 4.850 37.984 153.676 1.00 22.28 ? ? ? ? ? ? 107 VAL A C 1 +ATOM 829 O O . VAL A 1 108 ? 3.680 37.867 153.972 1.00 22.02 ? ? ? ? ? ? 107 VAL A O 1 +ATOM 830 C CB . VAL A 1 108 ? 6.271 35.863 154.031 1.00 21.66 ? ? ? ? ? ? 107 VAL A CB 1 +ATOM 831 C CG1 . VAL A 1 108 ? 5.427 35.717 155.271 1.00 27.21 ? ? ? ? ? ? 107 VAL A CG1 1 +ATOM 832 C CG2 . VAL A 1 108 ? 6.467 34.517 153.420 1.00 20.98 ? ? ? ? ? ? 107 VAL A CG2 1 +ATOM 833 N N . GLN A 1 109 ? 5.522 39.110 153.869 1.00 22.01 ? ? ? ? ? ? 108 GLN A N 1 +ATOM 834 C CA . GLN A 1 109 ? 4.935 40.315 154.462 1.00 21.52 ? ? ? ? ? ? 108 GLN A CA 1 +ATOM 835 C C . GLN A 1 109 ? 4.040 41.120 153.501 1.00 23.05 ? ? ? ? ? ? 108 GLN A C 1 +ATOM 836 O O . GLN A 1 109 ? 3.449 42.131 153.905 1.00 23.66 ? ? ? ? ? ? 108 GLN A O 1 +ATOM 837 C CB . GLN A 1 109 ? 6.081 41.211 154.957 1.00 20.91 ? ? ? ? ? ? 108 GLN A CB 1 +ATOM 838 C CG . GLN A 1 109 ? 6.858 40.587 156.100 1.00 19.59 ? ? ? ? ? ? 108 GLN A CG 1 +ATOM 839 C CD . GLN A 1 109 ? 8.253 41.124 156.265 1.00 15.87 ? ? ? ? ? ? 108 GLN A CD 1 +ATOM 840 O OE1 . GLN A 1 109 ? 8.550 42.250 155.894 1.00 19.78 ? ? ? ? ? ? 108 GLN A OE1 1 +ATOM 841 N NE2 . GLN A 1 109 ? 9.129 40.307 156.865 1.00 18.25 ? ? ? ? ? ? 108 GLN A NE2 1 +ATOM 842 N N . GLY A 1 110 ? 4.016 40.731 152.226 1.00 22.66 ? ? ? ? ? ? 109 GLY A N 1 +ATOM 843 C CA . GLY A 1 110 ? 3.183 41.387 151.219 1.00 22.01 ? ? ? ? ? ? 109 GLY A CA 1 +ATOM 844 C C . GLY A 1 110 ? 3.867 42.441 150.381 1.00 21.99 ? ? ? ? ? ? 109 GLY A C 1 +ATOM 845 O O . GLY A 1 110 ? 3.240 43.045 149.551 1.00 21.63 ? ? ? ? ? ? 109 GLY A O 1 +ATOM 846 N N . PHE A 1 111 ? 5.154 42.683 150.588 1.00 21.04 ? ? ? ? ? ? 110 PHE A N 1 +ATOM 847 C CA . PHE A 1 111 ? 5.878 43.643 149.775 1.00 19.44 ? ? ? ? ? ? 110 PHE A CA 1 +ATOM 848 C C . PHE A 1 111 ? 6.259 43.039 148.416 1.00 20.12 ? ? ? ? ? ? 110 PHE A C 1 +ATOM 849 O O . PHE A 1 111 ? 6.476 41.860 148.294 1.00 20.69 ? ? ? ? ? ? 110 PHE A O 1 +ATOM 850 C CB . PHE A 1 111 ? 7.112 44.152 150.554 1.00 22.22 ? ? ? ? ? ? 110 PHE A CB 1 +ATOM 851 C CG . PHE A 1 111 ? 6.765 44.777 151.898 1.00 16.30 ? ? ? ? ? ? 110 PHE A CG 1 +ATOM 852 C CD1 . PHE A 1 111 ? 6.102 45.979 151.970 1.00 19.56 ? ? ? ? ? ? 110 PHE A CD1 1 +ATOM 853 C CD2 . PHE A 1 111 ? 7.086 44.146 153.071 1.00 20.48 ? ? ? ? ? ? 110 PHE A CD2 1 +ATOM 854 C CE1 . PHE A 1 111 ? 5.760 46.531 153.197 1.00 22.86 ? ? ? ? ? ? 110 PHE A CE1 1 +ATOM 855 C CE2 . PHE A 1 111 ? 6.749 44.699 154.309 1.00 19.28 ? ? ? ? ? ? 110 PHE A CE2 1 +ATOM 856 C CZ . PHE A 1 111 ? 6.069 45.882 154.368 1.00 19.62 ? ? ? ? ? ? 110 PHE A CZ 1 +ATOM 857 N N . ARG A 1 112 ? 6.290 43.875 147.392 1.00 20.03 ? ? ? ? ? ? 111 ARG A N 1 +ATOM 858 C CA . ARG A 1 112 ? 6.506 43.472 146.021 1.00 21.21 ? ? ? ? ? ? 111 ARG A CA 1 +ATOM 859 C C . ARG A 1 112 ? 7.458 44.400 145.280 1.00 20.70 ? ? ? ? ? ? 111 ARG A C 1 +ATOM 860 O O . ARG A 1 112 ? 7.651 44.244 144.075 1.00 20.30 ? ? ? ? ? ? 111 ARG A O 1 +ATOM 861 C CB . ARG A 1 112 ? 5.176 43.497 145.266 1.00 22.64 ? ? ? ? ? ? 111 ARG A CB 1 +ATOM 862 C CG . ARG A 1 112 ? 4.102 42.564 145.820 1.00 23.47 ? ? ? ? ? ? 111 ARG A CG 1 +ATOM 863 C CD . ARG A 1 112 ? 4.537 41.138 145.632 1.00 20.75 ? ? ? ? ? ? 111 ARG A CD 1 +ATOM 864 N NE . ARG A 1 112 ? 3.551 40.166 146.107 1.00 25.27 ? ? ? ? ? ? 111 ARG A NE 1 +ATOM 865 C CZ . ARG A 1 112 ? 3.557 39.576 147.297 1.00 22.38 ? ? ? ? ? ? 111 ARG A CZ 1 +ATOM 866 N NH1 . ARG A 1 112 ? 4.465 39.868 148.207 1.00 20.77 ? ? ? ? ? ? 111 ARG A NH1 1 +ATOM 867 N NH2 . ARG A 1 112 ? 2.641 38.694 147.578 1.00 23.17 ? ? ? ? ? ? 111 ARG A NH2 1 +ATOM 868 N N . LYS A 1 113 ? 8.057 45.371 145.983 1.00 20.04 ? ? ? ? ? ? 112 LYS A N 1 +ATOM 869 C CA . LYS A 1 113 ? 8.919 46.349 145.326 1.00 20.36 ? ? ? ? ? ? 112 LYS A CA 1 +ATOM 870 C C . LYS A 1 113 ? 10.135 46.619 146.188 1.00 19.63 ? ? ? ? ? ? 112 LYS A C 1 +ATOM 871 O O . LYS A 1 113 ? 9.963 47.022 147.312 1.00 19.00 ? ? ? ? ? ? 112 LYS A O 1 +ATOM 872 C CB . LYS A 1 113 ? 8.126 47.627 145.089 1.00 21.06 ? ? ? ? ? ? 112 LYS A CB 1 +ATOM 873 C CG . LYS A 1 113 ? 7.178 47.548 143.939 1.00 23.81 ? ? ? ? ? ? 112 LYS A CG 1 +ATOM 874 C CD . LYS A 1 113 ? 6.250 48.690 143.907 1.00 33.14 ? ? ? ? ? ? 112 LYS A CD 1 +ATOM 875 C CE . LYS A 1 113 ? 5.047 48.357 143.034 1.00 40.08 ? ? ? ? ? ? 112 LYS A CE 1 +ATOM 876 N NZ . LYS A 1 113 ? 4.025 49.438 143.041 1.00 42.85 ? ? ? ? ? ? 112 LYS A NZ 1 +ATOM 877 N N . LEU A 1 114 ? 11.342 46.379 145.651 1.00 18.70 ? ? ? ? ? ? 113 LEU A N 1 +ATOM 878 C CA . LEU A 1 114 ? 12.594 46.520 146.387 1.00 18.48 ? ? ? ? ? ? 113 LEU A CA 1 +ATOM 879 C C . LEU A 1 114 ? 13.651 47.161 145.515 1.00 18.26 ? ? ? ? ? ? 113 LEU A C 1 +ATOM 880 O O . LEU A 1 114 ? 13.839 46.728 144.364 1.00 19.06 ? ? ? ? ? ? 113 LEU A O 1 +ATOM 881 C CB . LEU A 1 114 ? 13.120 45.167 146.806 1.00 18.72 ? ? ? ? ? ? 113 LEU A CB 1 +ATOM 882 C CG . LEU A 1 114 ? 14.447 45.032 147.543 1.00 17.96 ? ? ? ? ? ? 113 LEU A CG 1 +ATOM 883 C CD1 . LEU A 1 114 ? 14.385 45.771 148.915 1.00 14.19 ? ? ? ? ? ? 113 LEU A CD1 1 +ATOM 884 C CD2 . LEU A 1 114 ? 14.770 43.514 147.711 1.00 19.11 ? ? ? ? ? ? 113 LEU A CD2 1 +ATOM 885 N N . LEU A 1 115 ? 14.325 48.171 146.064 1.00 17.81 ? ? ? ? ? ? 114 LEU A N 1 +ATOM 886 C CA . LEU A 1 115 ? 15.556 48.719 145.470 1.00 17.69 ? ? ? ? ? ? 114 LEU A CA 1 +ATOM 887 C C . LEU A 1 115 ? 16.737 48.384 146.354 1.00 17.25 ? ? ? ? ? ? 114 LEU A C 1 +ATOM 888 O O . LEU A 1 115 ? 16.739 48.725 147.526 1.00 19.11 ? ? ? ? ? ? 114 LEU A O 1 +ATOM 889 C CB . LEU A 1 115 ? 15.487 50.247 145.299 1.00 16.73 ? ? ? ? ? ? 114 LEU A CB 1 +ATOM 890 C CG . LEU A 1 115 ? 16.826 50.968 144.908 1.00 21.32 ? ? ? ? ? ? 114 LEU A CG 1 +ATOM 891 C CD1 . LEU A 1 115 ? 17.192 50.712 143.445 1.00 12.62 ? ? ? ? ? ? 114 LEU A CD1 1 +ATOM 892 C CD2 . LEU A 1 115 ? 16.753 52.437 145.194 1.00 16.96 ? ? ? ? ? ? 114 LEU A CD2 1 +ATOM 893 N N . ILE A 1 116 ? 17.772 47.792 145.776 1.00 17.39 ? ? ? ? ? ? 115 ILE A N 1 +ATOM 894 C CA . ILE A 1 116 ? 19.033 47.587 146.460 1.00 17.68 ? ? ? ? ? ? 115 ILE A CA 1 +ATOM 895 C C . ILE A 1 116 ? 19.904 48.789 146.135 1.00 18.21 ? ? ? ? ? ? 115 ILE A C 1 +ATOM 896 O O . ILE A 1 116 ? 20.266 49.001 144.992 1.00 18.11 ? ? ? ? ? ? 115 ILE A O 1 +ATOM 897 C CB . ILE A 1 116 ? 19.740 46.276 146.004 1.00 17.56 ? ? ? ? ? ? 115 ILE A CB 1 +ATOM 898 C CG1 . ILE A 1 116 ? 18.770 45.088 146.032 1.00 18.15 ? ? ? ? ? ? 115 ILE A CG1 1 +ATOM 899 C CG2 . ILE A 1 116 ? 21.068 46.046 146.816 1.00 13.50 ? ? ? ? ? ? 115 ILE A CG2 1 +ATOM 900 C CD1 . ILE A 1 116 ? 19.354 43.797 145.470 1.00 15.54 ? ? ? ? ? ? 115 ILE A CD1 1 +ATOM 901 N N . LEU A 1 117 ? 20.264 49.585 147.135 1.00 18.11 ? ? ? ? ? ? 116 LEU A N 1 +ATOM 902 C CA . LEU A 1 117 ? 21.043 50.797 146.875 1.00 17.00 ? ? ? ? ? ? 116 LEU A CA 1 +ATOM 903 C C . LEU A 1 117 ? 22.409 50.555 147.456 1.00 17.42 ? ? ? ? ? ? 116 LEU A C 1 +ATOM 904 O O . LEU A 1 117 ? 22.598 50.581 148.651 1.00 17.61 ? ? ? ? ? ? 116 LEU A O 1 +ATOM 905 C CB . LEU A 1 117 ? 20.413 52.054 147.469 1.00 16.87 ? ? ? ? ? ? 116 LEU A CB 1 +ATOM 906 C CG . LEU A 1 117 ? 21.169 53.364 147.177 1.00 16.53 ? ? ? ? ? ? 116 LEU A CG 1 +ATOM 907 C CD1 . LEU A 1 117 ? 21.091 53.758 145.659 1.00 12.65 ? ? ? ? ? ? 116 LEU A CD1 1 +ATOM 908 C CD2 . LEU A 1 117 ? 20.608 54.464 148.008 1.00 16.10 ? ? ? ? ? ? 116 LEU A CD2 1 +ATOM 909 N N . SER A 1 118 ? 23.367 50.305 146.570 1.00 18.45 ? ? ? ? ? ? 117 SER A N 1 +ATOM 910 C CA . SER A 1 118 ? 24.693 49.882 146.920 1.00 18.38 ? ? ? ? ? ? 117 SER A CA 1 +ATOM 911 C C . SER A 1 118 ? 25.636 51.042 147.117 1.00 20.38 ? ? ? ? ? ? 117 SER A C 1 +ATOM 912 O O . SER A 1 118 ? 25.529 52.050 146.450 1.00 20.62 ? ? ? ? ? ? 117 SER A O 1 +ATOM 913 C CB . SER A 1 118 ? 25.259 48.953 145.820 1.00 17.74 ? ? ? ? ? ? 117 SER A CB 1 +ATOM 914 O OG . SER A 1 118 ? 26.554 48.496 146.142 1.00 18.54 ? ? ? ? ? ? 117 SER A OG 1 +ATOM 915 N N . GLY A 1 119 ? 26.574 50.848 148.047 1.00 20.72 ? ? ? ? ? ? 118 GLY A N 1 +ATOM 916 C CA . GLY A 1 119 ? 27.615 51.774 148.344 1.00 20.35 ? ? ? ? ? ? 118 GLY A CA 1 +ATOM 917 C C . GLY A 1 119 ? 28.971 51.250 147.952 1.00 19.98 ? ? ? ? ? ? 118 GLY A C 1 +ATOM 918 O O . GLY A 1 119 ? 29.930 51.984 148.059 1.00 21.28 ? ? ? ? ? ? 118 GLY A O 1 +ATOM 919 N N . HIS A 1 120 ? 29.041 50.009 147.470 1.00 19.32 ? ? ? ? ? ? 119 HIS A N 1 +ATOM 920 C CA . HIS A 1 120 ? 30.293 49.332 147.158 1.00 21.18 ? ? ? ? ? ? 119 HIS A CA 1 +ATOM 921 C C . HIS A 1 120 ? 30.230 48.800 145.717 1.00 22.71 ? ? ? ? ? ? 119 HIS A C 1 +ATOM 922 O O . HIS A 1 120 ? 29.381 47.965 145.352 1.00 23.80 ? ? ? ? ? ? 119 HIS A O 1 +ATOM 923 C CB . HIS A 1 120 ? 30.532 48.190 148.154 1.00 20.34 ? ? ? ? ? ? 119 HIS A CB 1 +ATOM 924 C CG . HIS A 1 120 ? 31.777 47.387 147.909 1.00 20.81 ? ? ? ? ? ? 119 HIS A CG 1 +ATOM 925 N ND1 . HIS A 1 120 ? 33.034 47.948 147.884 1.00 25.60 ? ? ? ? ? ? 119 HIS A ND1 1 +ATOM 926 C CD2 . HIS A 1 120 ? 31.965 46.050 147.752 1.00 23.03 ? ? ? ? ? ? 119 HIS A CD2 1 +ATOM 927 C CE1 . HIS A 1 120 ? 33.941 47.000 147.700 1.00 24.31 ? ? ? ? ? ? 119 HIS A CE1 1 +ATOM 928 N NE2 . HIS A 1 120 ? 33.316 45.838 147.611 1.00 25.12 ? ? ? ? ? ? 119 HIS A NE2 1 +ATOM 929 N N . GLY A 1 121 ? 31.128 49.316 144.886 1.00 22.95 ? ? ? ? ? ? 120 GLY A N 1 +ATOM 930 C CA . GLY A 1 121 ? 31.133 48.959 143.479 1.00 23.09 ? ? ? ? ? ? 120 GLY A CA 1 +ATOM 931 C C . GLY A 1 121 ? 31.560 47.539 143.233 1.00 23.28 ? ? ? ? ? ? 120 GLY A C 1 +ATOM 932 O O . GLY A 1 121 ? 31.295 47.017 142.171 1.00 24.68 ? ? ? ? ? ? 120 GLY A O 1 +ATOM 933 N N . GLY A 1 122 ? 32.244 46.931 144.197 1.00 23.65 ? ? ? ? ? ? 121 GLY A N 1 +ATOM 934 C CA . GLY A 1 122 ? 32.584 45.505 144.157 1.00 22.87 ? ? ? ? ? ? 121 GLY A CA 1 +ATOM 935 C C . GLY A 1 122 ? 31.367 44.602 144.151 1.00 22.90 ? ? ? ? ? ? 121 GLY A C 1 +ATOM 936 O O . GLY A 1 122 ? 31.450 43.448 143.725 1.00 23.50 ? ? ? ? ? ? 121 GLY A O 1 +ATOM 937 N N . ASN A 1 123 ? 30.237 45.115 144.639 1.00 22.79 ? ? ? ? ? ? 122 ASN A N 1 +ATOM 938 C CA . ASN A 1 123 ? 28.973 44.363 144.644 1.00 21.62 ? ? ? ? ? ? 122 ASN A CA 1 +ATOM 939 C C . ASN A 1 123 ? 28.278 44.368 143.290 1.00 22.25 ? ? ? ? ? ? 122 ASN A C 1 +ATOM 940 O O . ASN A 1 123 ? 28.103 45.418 142.642 1.00 21.81 ? ? ? ? ? ? 122 ASN A O 1 +ATOM 941 C CB . ASN A 1 123 ? 27.993 44.952 145.654 1.00 22.48 ? ? ? ? ? ? 122 ASN A CB 1 +ATOM 942 C CG . ASN A 1 123 ? 28.497 44.880 147.078 1.00 21.65 ? ? ? ? ? ? 122 ASN A CG 1 +ATOM 943 O OD1 . ASN A 1 123 ? 29.260 43.983 147.424 1.00 18.28 ? ? ? ? ? ? 122 ASN A OD1 1 +ATOM 944 N ND2 . ASN A 1 123 ? 28.077 45.844 147.908 1.00 14.87 ? ? ? ? ? ? 122 ASN A ND2 1 +ATOM 945 N N . ASN A 1 124 ? 27.832 43.188 142.901 1.00 20.82 ? ? ? ? ? ? 123 ASN A N 1 +ATOM 946 C CA . ASN A 1 124 ? 27.130 42.994 141.646 1.00 22.67 ? ? ? ? ? ? 123 ASN A CA 1 +ATOM 947 C C . ASN A 1 124 ? 25.877 42.157 141.935 1.00 20.91 ? ? ? ? ? ? 123 ASN A C 1 +ATOM 948 O O . ASN A 1 124 ? 25.970 41.091 142.522 1.00 21.51 ? ? ? ? ? ? 123 ASN A O 1 +ATOM 949 C CB . ASN A 1 124 ? 28.080 42.282 140.690 1.00 25.44 ? ? ? ? ? ? 123 ASN A CB 1 +ATOM 950 C CG . ASN A 1 124 ? 29.277 43.162 140.273 1.00 29.58 ? ? ? ? ? ? 123 ASN A CG 1 +ATOM 951 O OD1 . ASN A 1 124 ? 29.090 44.174 139.599 1.00 39.76 ? ? ? ? ? ? 123 ASN A OD1 1 +ATOM 952 N ND2 . ASN A 1 124 ? 30.500 42.758 140.649 1.00 31.47 ? ? ? ? ? ? 123 ASN A ND2 1 +ATOM 953 N N . PHE A 1 125 ? 24.722 42.661 141.552 1.00 19.93 ? ? ? ? ? ? 124 PHE A N 1 +ATOM 954 C CA . PHE A 1 125 ? 23.445 42.041 141.914 1.00 18.89 ? ? ? ? ? ? 124 PHE A CA 1 +ATOM 955 C C . PHE A 1 125 ? 22.592 41.573 140.740 1.00 18.87 ? ? ? ? ? ? 124 PHE A C 1 +ATOM 956 O O . PHE A 1 125 ? 21.530 40.986 140.957 1.00 19.57 ? ? ? ? ? ? 124 PHE A O 1 +ATOM 957 C CB . PHE A 1 125 ? 22.626 42.989 142.772 1.00 18.03 ? ? ? ? ? ? 124 PHE A CB 1 +ATOM 958 C CG . PHE A 1 125 ? 23.304 43.417 144.057 1.00 19.17 ? ? ? ? ? ? 124 PHE A CG 1 +ATOM 959 C CD1 . PHE A 1 125 ? 23.327 42.587 145.175 1.00 22.40 ? ? ? ? ? ? 124 PHE A CD1 1 +ATOM 960 C CD2 . PHE A 1 125 ? 23.882 44.668 144.159 1.00 20.20 ? ? ? ? ? ? 124 PHE A CD2 1 +ATOM 961 C CE1 . PHE A 1 125 ? 23.957 43.003 146.368 1.00 14.49 ? ? ? ? ? ? 124 PHE A CE1 1 +ATOM 962 C CE2 . PHE A 1 125 ? 24.501 45.083 145.320 1.00 20.04 ? ? ? ? ? ? 124 PHE A CE2 1 +ATOM 963 C CZ . PHE A 1 125 ? 24.526 44.258 146.429 1.00 20.74 ? ? ? ? ? ? 124 PHE A CZ 1 +ATOM 964 N N . LYS A 1 126 ? 23.063 41.753 139.513 1.00 19.10 ? ? ? ? ? ? 125 LYS A N 1 +ATOM 965 C CA . LYS A 1 126 ? 22.255 41.418 138.331 1.00 19.00 ? ? ? ? ? ? 125 LYS A CA 1 +ATOM 966 C C . LYS A 1 126 ? 21.920 39.940 138.257 1.00 18.70 ? ? ? ? ? ? 125 LYS A C 1 +ATOM 967 O O . LYS A 1 126 ? 20.773 39.597 138.019 1.00 20.27 ? ? ? ? ? ? 125 LYS A O 1 +ATOM 968 C CB . LYS A 1 126 ? 22.953 41.889 137.048 1.00 20.06 ? ? ? ? ? ? 125 LYS A CB 1 +ATOM 969 C CG . LYS A 1 126 ? 23.083 43.417 136.965 1.00 19.98 ? ? ? ? ? ? 125 LYS A CG 1 +ATOM 970 C CD . LYS A 1 126 ? 23.604 43.897 135.619 1.00 22.94 ? ? ? ? ? ? 125 LYS A CD 1 +ATOM 971 C CE . LYS A 1 126 ? 23.702 45.406 135.570 1.00 24.80 ? ? ? ? ? ? 125 LYS A CE 1 +ATOM 972 N NZ . LYS A 1 126 ? 24.079 45.845 134.193 1.00 32.11 ? ? ? ? ? ? 125 LYS A NZ 1 +ATOM 973 N N . GLY A 1 127 ? 22.902 39.083 138.516 1.00 17.76 ? ? ? ? ? ? 126 GLY A N 1 +ATOM 974 C CA . GLY A 1 127 ? 22.709 37.628 138.579 1.00 18.20 ? ? ? ? ? ? 126 GLY A CA 1 +ATOM 975 C C . GLY A 1 127 ? 21.686 37.176 139.607 1.00 19.23 ? ? ? ? ? ? 126 GLY A C 1 +ATOM 976 O O . GLY A 1 127 ? 20.811 36.368 139.314 1.00 17.81 ? ? ? ? ? ? 126 GLY A O 1 +ATOM 977 N N . MSE A 1 128 ? 21.771 37.765 140.798 1.00 19.77 ? ? ? ? ? ? 127 MSE A N 1 +ATOM 978 C CA . MSE A 1 128 ? 20.874 37.447 141.884 1.00 19.64 ? ? ? ? ? ? 127 MSE A CA 1 +ATOM 979 C C . MSE A 1 128 ? 19.484 37.832 141.513 1.00 18.26 ? ? ? ? ? ? 127 MSE A C 1 +ATOM 980 O O . MSE A 1 128 ? 18.552 37.070 141.774 1.00 17.04 ? ? ? ? ? ? 127 MSE A O 1 +ATOM 981 C CB . MSE A 1 128 ? 21.247 38.217 143.150 1.00 20.81 ? ? ? ? ? ? 127 MSE A CB 1 +ATOM 982 C CG . MSE A 1 128 ? 22.595 37.893 143.667 1.00 22.29 ? ? ? ? ? ? 127 MSE A CG 1 +ATOM 983 SE SE . MSE A 1 128 ? 23.033 38.772 145.335 0.75 22.10 ? ? ? ? ? ? 127 MSE A SE 1 +ATOM 984 C CE . MSE A 1 128 ? 24.871 38.594 145.201 1.00 13.61 ? ? ? ? ? ? 127 MSE A CE 1 +ATOM 985 N N . ILE A 1 129 ? 19.361 39.038 140.942 1.00 18.24 ? ? ? ? ? ? 128 ILE A N 1 +ATOM 986 C CA . ILE A 1 129 ? 18.078 39.589 140.559 1.00 18.34 ? ? ? ? ? ? 128 ILE A CA 1 +ATOM 987 C C . ILE A 1 129 ? 17.468 38.707 139.479 1.00 18.19 ? ? ? ? ? ? 128 ILE A C 1 +ATOM 988 O O . ILE A 1 129 ? 16.287 38.375 139.559 1.00 18.42 ? ? ? ? ? ? 128 ILE A O 1 +ATOM 989 C CB . ILE A 1 129 ? 18.151 41.099 140.128 1.00 16.86 ? ? ? ? ? ? 128 ILE A CB 1 +ATOM 990 C CG1 . ILE A 1 129 ? 18.278 42.013 141.345 1.00 20.34 ? ? ? ? ? ? 128 ILE A CG1 1 +ATOM 991 C CG2 . ILE A 1 129 ? 16.900 41.503 139.335 1.00 18.85 ? ? ? ? ? ? 128 ILE A CG2 1 +ATOM 992 C CD1 . ILE A 1 129 ? 18.716 43.518 141.048 1.00 14.82 ? ? ? ? ? ? 128 ILE A CD1 1 +ATOM 993 N N . ARG A 1 130 ? 18.261 38.264 138.508 1.00 18.25 ? ? ? ? ? ? 129 ARG A N 1 +ATOM 994 C CA . ARG A 1 130 ? 17.732 37.370 137.475 1.00 18.27 ? ? ? ? ? ? 129 ARG A CA 1 +ATOM 995 C C . ARG A 1 130 ? 17.141 36.094 138.045 1.00 19.15 ? ? ? ? ? ? 129 ARG A C 1 +ATOM 996 O O . ARG A 1 130 ? 15.997 35.723 137.726 1.00 20.22 ? ? ? ? ? ? 129 ARG A O 1 +ATOM 997 C CB . ARG A 1 130 ? 18.785 37.030 136.418 1.00 19.19 ? ? ? ? ? ? 129 ARG A CB 1 +ATOM 998 C CG . ARG A 1 130 ? 18.961 38.111 135.390 1.00 19.07 ? ? ? ? ? ? 129 ARG A CG 1 +ATOM 999 C CD . ARG A 1 130 ? 19.871 37.733 134.268 1.00 21.86 ? ? ? ? ? ? 129 ARG A CD 1 +ATOM 1000 N NE . ARG A 1 130 ? 19.774 38.708 133.186 1.00 20.58 ? ? ? ? ? ? 129 ARG A NE 1 +ATOM 1001 C CZ . ARG A 1 130 ? 20.582 39.760 133.002 1.00 22.36 ? ? ? ? ? ? 129 ARG A CZ 1 +ATOM 1002 N NH1 . ARG A 1 130 ? 21.634 39.995 133.771 1.00 21.08 ? ? ? ? ? ? 129 ARG A NH1 1 +ATOM 1003 N NH2 . ARG A 1 130 ? 20.356 40.566 131.985 1.00 22.17 ? ? ? ? ? ? 129 ARG A NH2 1 +ATOM 1004 N N . ASP A 1 131 ? 17.905 35.421 138.894 1.00 19.17 ? ? ? ? ? ? 130 ASP A N 1 +ATOM 1005 C CA . ASP A 1 131 ? 17.453 34.172 139.505 1.00 19.08 ? ? ? ? ? ? 130 ASP A CA 1 +ATOM 1006 C C . ASP A 1 131 ? 16.233 34.344 140.416 1.00 19.57 ? ? ? ? ? ? 130 ASP A C 1 +ATOM 1007 O O . ASP A 1 131 ? 15.347 33.502 140.404 1.00 20.67 ? ? ? ? ? ? 130 ASP A O 1 +ATOM 1008 C CB . ASP A 1 131 ? 18.616 33.520 140.262 1.00 20.52 ? ? ? ? ? ? 130 ASP A CB 1 +ATOM 1009 C CG . ASP A 1 131 ? 19.738 33.085 139.328 1.00 24.93 ? ? ? ? ? ? 130 ASP A CG 1 +ATOM 1010 O OD1 . ASP A 1 131 ? 19.434 32.883 138.116 1.00 19.98 ? ? ? ? ? ? 130 ASP A OD1 1 +ATOM 1011 O OD2 . ASP A 1 131 ? 20.895 32.952 139.808 1.00 21.69 ? ? ? ? ? ? 130 ASP A OD2 1 +ATOM 1012 N N . LEU A 1 132 ? 16.163 35.457 141.154 1.00 19.47 ? ? ? ? ? ? 131 LEU A N 1 +ATOM 1013 C CA . LEU A 1 132 ? 15.004 35.750 142.012 1.00 20.41 ? ? ? ? ? ? 131 LEU A CA 1 +ATOM 1014 C C . LEU A 1 132 ? 13.761 36.116 141.223 1.00 20.51 ? ? ? ? ? ? 131 LEU A C 1 +ATOM 1015 O O . LEU A 1 132 ? 12.648 35.873 141.688 1.00 21.19 ? ? ? ? ? ? 131 LEU A O 1 +ATOM 1016 C CB . LEU A 1 132 ? 15.344 36.846 143.037 1.00 21.72 ? ? ? ? ? ? 131 LEU A CB 1 +ATOM 1017 C CG . LEU A 1 132 ? 16.203 36.396 144.211 1.00 20.25 ? ? ? ? ? ? 131 LEU A CG 1 +ATOM 1018 C CD1 . LEU A 1 132 ? 16.670 37.607 144.924 1.00 21.38 ? ? ? ? ? ? 131 LEU A CD1 1 +ATOM 1019 C CD2 . LEU A 1 132 ? 15.420 35.420 145.192 1.00 16.78 ? ? ? ? ? ? 131 LEU A CD2 1 +ATOM 1020 N N . ALA A 1 133 ? 13.948 36.643 140.008 1.00 21.19 ? ? ? ? ? ? 132 ALA A N 1 +ATOM 1021 C CA . ALA A 1 133 ? 12.843 36.968 139.114 1.00 21.71 ? ? ? ? ? ? 132 ALA A CA 1 +ATOM 1022 C C . ALA A 1 133 ? 12.048 35.730 138.773 1.00 22.11 ? ? ? ? ? ? 132 ALA A C 1 +ATOM 1023 O O . ALA A 1 133 ? 10.850 35.781 138.659 1.00 24.24 ? ? ? ? ? ? 132 ALA A O 1 +ATOM 1024 C CB . ALA A 1 133 ? 13.361 37.649 137.843 1.00 21.35 ? ? ? ? ? ? 132 ALA A CB 1 +ATOM 1025 N N . PHE A 1 134 ? 12.721 34.604 138.631 1.00 24.15 ? ? ? ? ? ? 133 PHE A N 1 +ATOM 1026 C CA . PHE A 1 134 ? 12.069 33.362 138.301 1.00 25.38 ? ? ? ? ? ? 133 PHE A CA 1 +ATOM 1027 C C . PHE A 1 134 ? 11.417 32.706 139.534 1.00 26.44 ? ? ? ? ? ? 133 PHE A C 1 +ATOM 1028 O O . PHE A 1 134 ? 10.348 32.102 139.431 1.00 27.56 ? ? ? ? ? ? 133 PHE A O 1 +ATOM 1029 C CB . PHE A 1 134 ? 13.093 32.435 137.635 1.00 25.59 ? ? ? ? ? ? 133 PHE A CB 1 +ATOM 1030 C CG . PHE A 1 134 ? 13.533 32.911 136.242 1.00 28.19 ? ? ? ? ? ? 133 PHE A CG 1 +ATOM 1031 C CD1 . PHE A 1 134 ? 12.591 33.116 135.225 1.00 28.04 ? ? ? ? ? ? 133 PHE A CD1 1 +ATOM 1032 C CD2 . PHE A 1 134 ? 14.862 33.134 135.947 1.00 24.16 ? ? ? ? ? ? 133 PHE A CD2 1 +ATOM 1033 C CE1 . PHE A 1 134 ? 12.978 33.539 133.954 1.00 25.68 ? ? ? ? ? ? 133 PHE A CE1 1 +ATOM 1034 C CE2 . PHE A 1 134 ? 15.251 33.573 134.679 1.00 26.22 ? ? ? ? ? ? 133 PHE A CE2 1 +ATOM 1035 C CZ . PHE A 1 134 ? 14.310 33.764 133.680 1.00 24.55 ? ? ? ? ? ? 133 PHE A CZ 1 +ATOM 1036 N N . GLU A 1 135 ? 12.054 32.849 140.695 1.00 27.12 ? ? ? ? ? ? 134 GLU A N 1 +ATOM 1037 C CA . GLU A 1 135 ? 11.551 32.360 141.984 1.00 30.03 ? ? ? ? ? ? 134 GLU A CA 1 +ATOM 1038 C C . GLU A 1 135 ? 10.333 33.169 142.482 1.00 26.07 ? ? ? ? ? ? 134 GLU A C 1 +ATOM 1039 O O . GLU A 1 135 ? 9.370 32.602 143.013 1.00 25.30 ? ? ? ? ? ? 134 GLU A O 1 +ATOM 1040 C CB . GLU A 1 135 ? 12.673 32.450 143.027 1.00 28.74 ? ? ? ? ? ? 134 GLU A CB 1 +ATOM 1041 C CG . GLU A 1 135 ? 13.273 31.160 143.565 1.00 41.61 ? ? ? ? ? ? 134 GLU A CG 1 +ATOM 1042 C CD . GLU A 1 135 ? 14.587 31.443 144.362 1.00 45.00 ? ? ? ? ? ? 134 GLU A CD 1 +ATOM 1043 O OE1 . GLU A 1 135 ? 15.606 31.806 143.698 1.00 60.18 ? ? ? ? ? ? 134 GLU A OE1 1 +ATOM 1044 O OE2 . GLU A 1 135 ? 14.606 31.317 145.630 1.00 57.57 ? ? ? ? ? ? 134 GLU A OE2 1 +ATOM 1045 N N . TYR A 1 136 ? 10.385 34.491 142.307 1.00 23.85 ? ? ? ? ? ? 135 TYR A N 1 +ATOM 1046 C CA . TYR A 1 136 ? 9.326 35.412 142.743 1.00 21.99 ? ? ? ? ? ? 135 TYR A CA 1 +ATOM 1047 C C . TYR A 1 136 ? 8.980 36.373 141.611 1.00 23.15 ? ? ? ? ? ? 135 TYR A C 1 +ATOM 1048 O O . TYR A 1 136 ? 9.464 37.527 141.585 1.00 20.48 ? ? ? ? ? ? 135 TYR A O 1 +ATOM 1049 C CB . TYR A 1 136 ? 9.783 36.233 143.953 1.00 21.75 ? ? ? ? ? ? 135 TYR A CB 1 +ATOM 1050 C CG . TYR A 1 136 ? 10.290 35.427 145.136 1.00 23.21 ? ? ? ? ? ? 135 TYR A CG 1 +ATOM 1051 C CD1 . TYR A 1 136 ? 9.411 34.927 146.082 1.00 22.98 ? ? ? ? ? ? 135 TYR A CD1 1 +ATOM 1052 C CD2 . TYR A 1 136 ? 11.643 35.196 145.312 1.00 21.46 ? ? ? ? ? ? 135 TYR A CD2 1 +ATOM 1053 C CE1 . TYR A 1 136 ? 9.866 34.210 147.174 1.00 24.89 ? ? ? ? ? ? 135 TYR A CE1 1 +ATOM 1054 C CE2 . TYR A 1 136 ? 12.105 34.481 146.388 1.00 19.55 ? ? ? ? ? ? 135 TYR A CE2 1 +ATOM 1055 C CZ . TYR A 1 136 ? 11.204 33.995 147.317 1.00 23.64 ? ? ? ? ? ? 135 TYR A CZ 1 +ATOM 1056 O OH . TYR A 1 136 ? 11.636 33.274 148.384 1.00 22.13 ? ? ? ? ? ? 135 TYR A OH 1 +ATOM 1057 N N . PRO A 1 137 ? 8.121 35.919 140.671 1.00 24.89 ? ? ? ? ? ? 136 PRO A N 1 +ATOM 1058 C CA . PRO A 1 137 ? 7.861 36.728 139.479 1.00 25.68 ? ? ? ? ? ? 136 PRO A CA 1 +ATOM 1059 C C . PRO A 1 137 ? 7.049 37.994 139.737 1.00 25.73 ? ? ? ? ? ? 136 PRO A C 1 +ATOM 1060 O O . PRO A 1 137 ? 7.057 38.898 138.901 1.00 26.81 ? ? ? ? ? ? 136 PRO A O 1 +ATOM 1061 C CB . PRO A 1 137 ? 7.127 35.766 138.526 1.00 25.37 ? ? ? ? ? ? 136 PRO A CB 1 +ATOM 1062 C CG . PRO A 1 137 ? 6.576 34.678 139.403 1.00 27.99 ? ? ? ? ? ? 136 PRO A CG 1 +ATOM 1063 C CD . PRO A 1 137 ? 7.376 34.637 140.674 1.00 26.39 ? ? ? ? ? ? 136 PRO A CD 1 +ATOM 1064 N N . ASP A 1 138 ? 6.377 38.085 140.881 1.00 25.71 ? ? ? ? ? ? 137 ASP A N 1 +ATOM 1065 C CA . ASP A 1 138 ? 5.591 39.277 141.180 1.00 25.75 ? ? ? ? ? ? 137 ASP A CA 1 +ATOM 1066 C C . ASP A 1 138 ? 6.354 40.282 142.053 1.00 24.57 ? ? ? ? ? ? 137 ASP A C 1 +ATOM 1067 O O . ASP A 1 138 ? 5.774 41.265 142.536 1.00 23.60 ? ? ? ? ? ? 137 ASP A O 1 +ATOM 1068 C CB . ASP A 1 138 ? 4.219 38.896 141.777 1.00 27.66 ? ? ? ? ? ? 137 ASP A CB 1 +ATOM 1069 C CG . ASP A 1 138 ? 4.316 38.090 143.088 1.00 32.98 ? ? ? ? ? ? 137 ASP A CG 1 +ATOM 1070 O OD1 . ASP A 1 138 ? 5.417 37.597 143.466 1.00 34.91 ? ? ? ? ? ? 137 ASP A OD1 1 +ATOM 1071 O OD2 . ASP A 1 138 ? 3.247 37.934 143.734 1.00 42.38 ? ? ? ? ? ? 137 ASP A OD2 1 +ATOM 1072 N N . PHE A 1 139 ? 7.656 40.051 142.234 1.00 22.81 ? ? ? ? ? ? 138 PHE A N 1 +ATOM 1073 C CA . PHE A 1 139 ? 8.474 40.851 143.141 1.00 21.25 ? ? ? ? ? ? 138 PHE A CA 1 +ATOM 1074 C C . PHE A 1 139 ? 9.453 41.624 142.261 1.00 21.27 ? ? ? ? ? ? 138 PHE A C 1 +ATOM 1075 O O . PHE A 1 139 ? 10.324 41.035 141.643 1.00 21.94 ? ? ? ? ? ? 138 PHE A O 1 +ATOM 1076 C CB . PHE A 1 139 ? 9.215 39.947 144.181 1.00 23.15 ? ? ? ? ? ? 138 PHE A CB 1 +ATOM 1077 C CG . PHE A 1 139 ? 9.794 40.702 145.381 1.00 22.95 ? ? ? ? ? ? 138 PHE A CG 1 +ATOM 1078 C CD1 . PHE A 1 139 ? 11.005 41.361 145.288 1.00 32.73 ? ? ? ? ? ? 138 PHE A CD1 1 +ATOM 1079 C CD2 . PHE A 1 139 ? 9.136 40.740 146.598 1.00 25.52 ? ? ? ? ? ? 138 PHE A CD2 1 +ATOM 1080 C CE1 . PHE A 1 139 ? 11.544 42.084 146.408 1.00 29.55 ? ? ? ? ? ? 138 PHE A CE1 1 +ATOM 1081 C CE2 . PHE A 1 139 ? 9.653 41.473 147.693 1.00 23.47 ? ? ? ? ? ? 138 PHE A CE2 1 +ATOM 1082 C CZ . PHE A 1 139 ? 10.862 42.135 147.577 1.00 23.45 ? ? ? ? ? ? 138 PHE A CZ 1 +ATOM 1083 N N . LEU A 1 140 ? 9.285 42.934 142.188 1.00 20.98 ? ? ? ? ? ? 139 LEU A N 1 +ATOM 1084 C CA . LEU A 1 140 ? 10.221 43.794 141.478 1.00 21.66 ? ? ? ? ? ? 139 LEU A CA 1 +ATOM 1085 C C . LEU A 1 140 ? 11.444 44.139 142.334 1.00 21.32 ? ? ? ? ? ? 139 LEU A C 1 +ATOM 1086 O O . LEU A 1 140 ? 11.312 44.700 143.419 1.00 21.57 ? ? ? ? ? ? 139 LEU A O 1 +ATOM 1087 C CB . LEU A 1 140 ? 9.540 45.097 141.088 1.00 20.87 ? ? ? ? ? ? 139 LEU A CB 1 +ATOM 1088 C CG . LEU A 1 140 ? 10.309 46.125 140.262 1.00 22.25 ? ? ? ? ? ? 139 LEU A CG 1 +ATOM 1089 C CD1 . LEU A 1 140 ? 10.668 45.515 138.914 1.00 19.47 ? ? ? ? ? ? 139 LEU A CD1 1 +ATOM 1090 C CD2 . LEU A 1 140 ? 9.481 47.408 140.107 1.00 21.09 ? ? ? ? ? ? 139 LEU A CD2 1 +ATOM 1091 N N . ILE A 1 141 ? 12.625 43.803 141.824 1.00 20.28 ? ? ? ? ? ? 140 ILE A N 1 +ATOM 1092 C CA . ILE A 1 141 ? 13.887 44.215 142.450 1.00 19.39 ? ? ? ? ? ? 140 ILE A CA 1 +ATOM 1093 C C . ILE A 1 141 ? 14.728 45.031 141.442 1.00 19.47 ? ? ? ? ? ? 140 ILE A C 1 +ATOM 1094 O O . ILE A 1 141 ? 15.030 44.526 140.323 1.00 18.93 ? ? ? ? ? ? 140 ILE A O 1 +ATOM 1095 C CB . ILE A 1 141 ? 14.725 42.990 142.912 1.00 21.89 ? ? ? ? ? ? 140 ILE A CB 1 +ATOM 1096 C CG1 . ILE A 1 141 ? 13.863 41.966 143.652 1.00 20.32 ? ? ? ? ? ? 140 ILE A CG1 1 +ATOM 1097 C CG2 . ILE A 1 141 ? 15.876 43.429 143.765 1.00 14.95 ? ? ? ? ? ? 140 ILE A CG2 1 +ATOM 1098 C CD1 . ILE A 1 141 ? 14.651 40.837 144.274 1.00 17.07 ? ? ? ? ? ? 140 ILE A CD1 1 +ATOM 1099 N N . ALA A 1 142 ? 15.081 46.264 141.826 1.00 18.92 ? ? ? ? ? ? 141 ALA A N 1 +ATOM 1100 C CA . ALA A 1 142 ? 16.054 47.100 141.093 1.00 18.31 ? ? ? ? ? ? 141 ALA A CA 1 +ATOM 1101 C C . ALA A 1 142 ? 17.313 47.240 141.904 1.00 17.88 ? ? ? ? ? ? 141 ALA A C 1 +ATOM 1102 O O . ALA A 1 142 ? 17.300 47.042 143.094 1.00 18.70 ? ? ? ? ? ? 141 ALA A O 1 +ATOM 1103 C CB . ALA A 1 142 ? 15.477 48.505 140.767 1.00 16.32 ? ? ? ? ? ? 141 ALA A CB 1 +ATOM 1104 N N . ALA A 1 143 ? 18.411 47.559 141.247 1.00 17.48 ? ? ? ? ? ? 142 ALA A N 1 +ATOM 1105 C CA . ALA A 1 143 ? 19.666 47.824 141.920 1.00 17.94 ? ? ? ? ? ? 142 ALA A CA 1 +ATOM 1106 C C . ALA A 1 143 ? 20.337 49.038 141.307 1.00 19.14 ? ? ? ? ? ? 142 ALA A C 1 +ATOM 1107 O O . ALA A 1 143 ? 20.232 49.265 140.113 1.00 19.61 ? ? ? ? ? ? 142 ALA A O 1 +ATOM 1108 C CB . ALA A 1 143 ? 20.584 46.624 141.832 1.00 19.06 ? ? ? ? ? ? 142 ALA A CB 1 +ATOM 1109 N N . ALA A 1 144 ? 21.019 49.816 142.147 1.00 20.15 ? ? ? ? ? ? 143 ALA A N 1 +ATOM 1110 C CA . ALA A 1 144 ? 21.813 50.962 141.723 1.00 20.71 ? ? ? ? ? ? 143 ALA A CA 1 +ATOM 1111 C C . ALA A 1 144 ? 22.973 51.174 142.689 1.00 20.58 ? ? ? ? ? ? 143 ALA A C 1 +ATOM 1112 O O . ALA A 1 144 ? 22.853 50.890 143.883 1.00 19.55 ? ? ? ? ? ? 143 ALA A O 1 +ATOM 1113 C CB . ALA A 1 144 ? 20.951 52.232 141.664 1.00 19.31 ? ? ? ? ? ? 143 ALA A CB 1 +ATOM 1114 N N . ASN A 1 145 ? 24.088 51.689 142.184 1.00 20.34 ? ? ? ? ? ? 144 ASN A N 1 +ATOM 1115 C CA . ASN A 1 145 ? 25.105 52.242 143.049 1.00 21.65 ? ? ? ? ? ? 144 ASN A CA 1 +ATOM 1116 C C . ASN A 1 145 ? 24.729 53.702 143.276 1.00 21.56 ? ? ? ? ? ? 144 ASN A C 1 +ATOM 1117 O O . ASN A 1 145 ? 24.496 54.401 142.293 1.00 21.84 ? ? ? ? ? ? 144 ASN A O 1 +ATOM 1118 C CB . ASN A 1 145 ? 26.485 52.208 142.394 1.00 22.12 ? ? ? ? ? ? 144 ASN A CB 1 +ATOM 1119 C CG . ASN A 1 145 ? 27.096 50.803 142.341 1.00 27.33 ? ? ? ? ? ? 144 ASN A CG 1 +ATOM 1120 O OD1 . ASN A 1 145 ? 27.314 50.161 143.377 1.00 25.25 ? ? ? ? ? ? 144 ASN A OD1 1 +ATOM 1121 N ND2 . ASN A 1 145 ? 27.444 50.359 141.133 1.00 21.47 ? ? ? ? ? ? 144 ASN A ND2 1 +ATOM 1122 N N . TRP A 1 146 ? 24.747 54.179 144.527 1.00 19.62 ? ? ? ? ? ? 145 TRP A N 1 +ATOM 1123 C CA . TRP A 1 146 ? 24.402 55.572 144.805 1.00 20.85 ? ? ? ? ? ? 145 TRP A CA 1 +ATOM 1124 C C . TRP A 1 146 ? 25.252 56.550 143.990 1.00 20.72 ? ? ? ? ? ? 145 TRP A C 1 +ATOM 1125 O O . TRP A 1 146 ? 24.734 57.541 143.495 1.00 21.18 ? ? ? ? ? ? 145 TRP A O 1 +ATOM 1126 C CB . TRP A 1 146 ? 24.405 55.917 146.340 1.00 20.95 ? ? ? ? ? ? 145 TRP A CB 1 +ATOM 1127 C CG . TRP A 1 146 ? 25.750 56.041 146.954 1.00 20.36 ? ? ? ? ? ? 145 TRP A CG 1 +ATOM 1128 C CD1 . TRP A 1 146 ? 26.406 55.083 147.635 1.00 17.53 ? ? ? ? ? ? 145 TRP A CD1 1 +ATOM 1129 C CD2 . TRP A 1 146 ? 26.616 57.198 146.935 1.00 21.35 ? ? ? ? ? ? 145 TRP A CD2 1 +ATOM 1130 N NE1 . TRP A 1 146 ? 27.625 55.547 148.053 1.00 21.16 ? ? ? ? ? ? 145 TRP A NE1 1 +ATOM 1131 C CE2 . TRP A 1 146 ? 27.789 56.843 147.625 1.00 19.54 ? ? ? ? ? ? 145 TRP A CE2 1 +ATOM 1132 C CE3 . TRP A 1 146 ? 26.516 58.497 146.380 1.00 22.48 ? ? ? ? ? ? 145 TRP A CE3 1 +ATOM 1133 C CZ2 . TRP A 1 146 ? 28.874 57.739 147.794 1.00 18.80 ? ? ? ? ? ? 145 TRP A CZ2 1 +ATOM 1134 C CZ3 . TRP A 1 146 ? 27.579 59.393 146.555 1.00 22.75 ? ? ? ? ? ? 145 TRP A CZ3 1 +ATOM 1135 C CH2 . TRP A 1 146 ? 28.750 59.006 147.267 1.00 21.83 ? ? ? ? ? ? 145 TRP A CH2 1 +ATOM 1136 N N . PHE A 1 147 ? 26.532 56.231 143.817 1.00 21.52 ? ? ? ? ? ? 146 PHE A N 1 +ATOM 1137 C CA . PHE A 1 147 ? 27.503 57.109 143.150 1.00 21.40 ? ? ? ? ? ? 146 PHE A CA 1 +ATOM 1138 C C . PHE A 1 147 ? 27.481 57.090 141.615 1.00 22.07 ? ? ? ? ? ? 146 PHE A C 1 +ATOM 1139 O O . PHE A 1 147 ? 28.288 57.782 140.979 1.00 23.77 ? ? ? ? ? ? 146 PHE A O 1 +ATOM 1140 C CB . PHE A 1 147 ? 28.935 56.787 143.633 1.00 22.40 ? ? ? ? ? ? 146 PHE A CB 1 +ATOM 1141 C CG . PHE A 1 147 ? 29.274 55.340 143.561 1.00 23.66 ? ? ? ? ? ? 146 PHE A CG 1 +ATOM 1142 C CD1 . PHE A 1 147 ? 29.747 54.780 142.382 1.00 25.39 ? ? ? ? ? ? 146 PHE A CD1 1 +ATOM 1143 C CD2 . PHE A 1 147 ? 29.091 54.519 144.652 1.00 23.27 ? ? ? ? ? ? 146 PHE A CD2 1 +ATOM 1144 C CE1 . PHE A 1 147 ? 30.038 53.454 142.311 1.00 27.07 ? ? ? ? ? ? 146 PHE A CE1 1 +ATOM 1145 C CE2 . PHE A 1 147 ? 29.378 53.164 144.578 1.00 25.68 ? ? ? ? ? ? 146 PHE A CE2 1 +ATOM 1146 C CZ . PHE A 1 147 ? 29.839 52.628 143.421 1.00 27.02 ? ? ? ? ? ? 146 PHE A CZ 1 +ATOM 1147 N N . GLU A 1 148 ? 26.570 56.311 141.024 1.00 21.97 ? ? ? ? ? ? 147 GLU A N 1 +ATOM 1148 C CA . GLU A 1 148 ? 26.350 56.292 139.586 1.00 21.65 ? ? ? ? ? ? 147 GLU A CA 1 +ATOM 1149 C C . GLU A 1 148 ? 25.029 56.958 139.220 1.00 22.35 ? ? ? ? ? ? 147 GLU A C 1 +ATOM 1150 O O . GLU A 1 148 ? 24.736 57.147 138.023 1.00 24.23 ? ? ? ? ? ? 147 GLU A O 1 +ATOM 1151 C CB . GLU A 1 148 ? 26.363 54.828 139.071 1.00 21.92 ? ? ? ? ? ? 147 GLU A CB 1 +ATOM 1152 C CG . GLU A 1 148 ? 27.730 54.150 139.145 1.00 22.85 ? ? ? ? ? ? 147 GLU A CG 1 +ATOM 1153 C CD . GLU A 1 148 ? 27.735 52.660 138.766 1.00 24.49 ? ? ? ? ? ? 147 GLU A CD 1 +ATOM 1154 O OE1 . GLU A 1 148 ? 26.680 51.992 138.737 1.00 29.60 ? ? ? ? ? ? 147 GLU A OE1 1 +ATOM 1155 O OE2 . GLU A 1 148 ? 28.828 52.134 138.534 1.00 33.41 ? ? ? ? ? ? 147 GLU A OE2 1 +ATOM 1156 N N . VAL A 1 149 ? 24.214 57.302 140.217 1.00 22.94 ? ? ? ? ? ? 148 VAL A N 1 +ATOM 1157 C CA . VAL A 1 149 ? 22.945 57.981 139.964 1.00 22.41 ? ? ? ? ? ? 148 VAL A CA 1 +ATOM 1158 C C . VAL A 1 149 ? 23.196 59.333 139.255 1.00 23.56 ? ? ? ? ? ? 148 VAL A C 1 +ATOM 1159 O O . VAL A 1 149 ? 22.476 59.691 138.334 1.00 22.83 ? ? ? ? ? ? 148 VAL A O 1 +ATOM 1160 C CB . VAL A 1 149 ? 22.113 58.139 141.277 1.00 25.72 ? ? ? ? ? ? 148 VAL A CB 1 +ATOM 1161 C CG1 . VAL A 1 149 ? 20.882 59.014 141.056 1.00 17.87 ? ? ? ? ? ? 148 VAL A CG1 1 +ATOM 1162 C CG2 . VAL A 1 149 ? 21.728 56.743 141.857 1.00 19.39 ? ? ? ? ? ? 148 VAL A CG2 1 +ATOM 1163 N N . VAL A 1 150 ? 24.218 60.061 139.679 1.00 23.39 ? ? ? ? ? ? 149 VAL A N 1 +ATOM 1164 C CA . VAL A 1 150 ? 24.663 61.295 139.016 1.00 22.82 ? ? ? ? ? ? 149 VAL A CA 1 +ATOM 1165 C C . VAL A 1 150 ? 26.169 61.140 138.922 1.00 24.39 ? ? ? ? ? ? 149 VAL A C 1 +ATOM 1166 O O . VAL A 1 150 ? 26.824 60.731 139.890 1.00 24.03 ? ? ? ? ? ? 149 VAL A O 1 +ATOM 1167 C CB . VAL A 1 150 ? 24.342 62.607 139.833 1.00 23.53 ? ? ? ? ? ? 149 VAL A CB 1 +ATOM 1168 C CG1 . VAL A 1 150 ? 25.084 63.850 139.256 1.00 23.85 ? ? ? ? ? ? 149 VAL A CG1 1 +ATOM 1169 C CG2 . VAL A 1 150 ? 22.851 62.889 139.905 1.00 18.56 ? ? ? ? ? ? 149 VAL A CG2 1 +ATOM 1170 N N . SER A 1 151 ? 26.726 61.488 137.767 1.00 27.31 ? ? ? ? ? ? 150 SER A N 1 +ATOM 1171 C CA . SER A 1 151 ? 28.150 61.334 137.545 1.00 29.63 ? ? ? ? ? ? 150 SER A CA 1 +ATOM 1172 C C . SER A 1 151 ? 28.862 62.376 138.361 1.00 29.74 ? ? ? ? ? ? 150 SER A C 1 +ATOM 1173 O O . SER A 1 151 ? 28.415 63.542 138.414 1.00 30.19 ? ? ? ? ? ? 150 SER A O 1 +ATOM 1174 C CB . SER A 1 151 ? 28.517 61.482 136.062 1.00 30.96 ? ? ? ? ? ? 150 SER A CB 1 +ATOM 1175 O OG . SER A 1 151 ? 29.927 61.583 135.939 1.00 32.95 ? ? ? ? ? ? 150 SER A OG 1 +ATOM 1176 N N . PRO A 1 152 ? 29.968 61.972 138.996 1.00 31.75 ? ? ? ? ? ? 151 PRO A N 1 +ATOM 1177 C CA . PRO A 1 152 ? 30.794 62.884 139.800 1.00 32.79 ? ? ? ? ? ? 151 PRO A CA 1 +ATOM 1178 C C . PRO A 1 152 ? 31.666 63.819 138.980 1.00 34.51 ? ? ? ? ? ? 151 PRO A C 1 +ATOM 1179 O O . PRO A 1 152 ? 32.195 64.797 139.524 1.00 34.36 ? ? ? ? ? ? 151 PRO A O 1 +ATOM 1180 C CB . PRO A 1 152 ? 31.675 61.936 140.624 1.00 32.84 ? ? ? ? ? ? 151 PRO A CB 1 +ATOM 1181 C CG . PRO A 1 152 ? 31.777 60.694 139.834 1.00 33.54 ? ? ? ? ? ? 151 PRO A CG 1 +ATOM 1182 C CD . PRO A 1 152 ? 30.504 60.592 138.990 1.00 33.39 ? ? ? ? ? ? 151 PRO A CD 1 +ATOM 1183 N N . LYS A 1 153 ? 31.831 63.527 137.693 1.00 37.98 ? ? ? ? ? ? 152 LYS A N 1 +ATOM 1184 C CA . LYS A 1 153 ? 32.613 64.399 136.833 1.00 40.99 ? ? ? ? ? ? 152 LYS A CA 1 +ATOM 1185 C C . LYS A 1 153 ? 31.990 65.804 136.894 1.00 40.39 ? ? ? ? ? ? 152 LYS A C 1 +ATOM 1186 O O . LYS A 1 153 ? 30.782 65.987 136.686 1.00 39.73 ? ? ? ? ? ? 152 LYS A O 1 +ATOM 1187 C CB . LYS A 1 153 ? 32.654 63.872 135.390 1.00 44.73 ? ? ? ? ? ? 152 LYS A CB 1 +ATOM 1188 C CG . LYS A 1 153 ? 32.975 62.365 135.216 1.00 49.52 ? ? ? ? ? ? 152 LYS A CG 1 +ATOM 1189 C CD . LYS A 1 153 ? 34.207 61.880 135.993 1.00 57.90 ? ? ? ? ? ? 152 LYS A CD 1 +ATOM 1190 C CE . LYS A 1 153 ? 34.303 60.351 135.922 1.00 59.59 ? ? ? ? ? ? 152 LYS A CE 1 +ATOM 1191 N NZ . LYS A 1 153 ? 35.722 59.895 135.877 1.00 67.25 ? ? ? ? ? ? 152 LYS A NZ 1 +ATOM 1192 N N . GLY A 1 154 ? 32.800 66.788 137.252 1.00 38.67 ? ? ? ? ? ? 153 GLY A N 1 +ATOM 1193 C CA . GLY A 1 154 ? 32.301 68.160 137.347 1.00 37.20 ? ? ? ? ? ? 153 GLY A CA 1 +ATOM 1194 C C . GLY A 1 154 ? 31.771 68.563 138.711 1.00 35.03 ? ? ? ? ? ? 153 GLY A C 1 +ATOM 1195 O O . GLY A 1 154 ? 31.518 69.733 138.941 1.00 37.89 ? ? ? ? ? ? 153 GLY A O 1 +ATOM 1196 N N . TYR A 1 155 ? 31.588 67.606 139.620 1.00 29.49 ? ? ? ? ? ? 154 TYR A N 1 +ATOM 1197 C CA . TYR A 1 155 ? 31.333 67.922 141.051 1.00 26.65 ? ? ? ? ? ? 154 TYR A CA 1 +ATOM 1198 C C . TYR A 1 155 ? 32.656 67.971 141.850 1.00 25.25 ? ? ? ? ? ? 154 TYR A C 1 +ATOM 1199 O O . TYR A 1 155 ? 32.779 68.654 142.872 1.00 26.83 ? ? ? ? ? ? 154 TYR A O 1 +ATOM 1200 C CB . TYR A 1 155 ? 30.320 66.906 141.636 1.00 25.01 ? ? ? ? ? ? 154 TYR A CB 1 +ATOM 1201 C CG . TYR A 1 155 ? 28.889 67.191 141.219 1.00 25.06 ? ? ? ? ? ? 154 TYR A CG 1 +ATOM 1202 C CD1 . TYR A 1 155 ? 28.083 68.041 141.981 1.00 23.56 ? ? ? ? ? ? 154 TYR A CD1 1 +ATOM 1203 C CD2 . TYR A 1 155 ? 28.346 66.658 140.060 1.00 25.05 ? ? ? ? ? ? 154 TYR A CD2 1 +ATOM 1204 C CE1 . TYR A 1 155 ? 26.799 68.313 141.630 1.00 23.63 ? ? ? ? ? ? 154 TYR A CE1 1 +ATOM 1205 C CE2 . TYR A 1 155 ? 27.021 66.957 139.691 1.00 26.02 ? ? ? ? ? ? 154 TYR A CE2 1 +ATOM 1206 C CZ . TYR A 1 155 ? 26.264 67.783 140.494 1.00 23.93 ? ? ? ? ? ? 154 TYR A CZ 1 +ATOM 1207 O OH . TYR A 1 155 ? 24.950 68.117 140.189 1.00 30.19 ? ? ? ? ? ? 154 TYR A OH 1 +ATOM 1208 N N . PHE A 1 156 ? 33.663 67.273 141.363 1.00 25.40 ? ? ? ? ? ? 155 PHE A N 1 +ATOM 1209 C CA . PHE A 1 156 ? 34.908 67.085 142.113 1.00 26.79 ? ? ? ? ? ? 155 PHE A CA 1 +ATOM 1210 C C . PHE A 1 156 ? 36.123 67.314 141.217 1.00 29.49 ? ? ? ? ? ? 155 PHE A C 1 +ATOM 1211 O O . PHE A 1 156 ? 36.075 67.059 140.003 1.00 31.38 ? ? ? ? ? ? 155 PHE A O 1 +ATOM 1212 C CB . PHE A 1 156 ? 34.939 65.666 142.686 1.00 27.86 ? ? ? ? ? ? 155 PHE A CB 1 +ATOM 1213 C CG . PHE A 1 156 ? 33.775 65.378 143.577 1.00 24.70 ? ? ? ? ? ? 155 PHE A CG 1 +ATOM 1214 C CD1 . PHE A 1 156 ? 33.711 65.949 144.849 1.00 15.79 ? ? ? ? ? ? 155 PHE A CD1 1 +ATOM 1215 C CD2 . PHE A 1 156 ? 32.701 64.639 143.120 1.00 21.84 ? ? ? ? ? ? 155 PHE A CD2 1 +ATOM 1216 C CE1 . PHE A 1 156 ? 32.604 65.739 145.678 1.00 22.45 ? ? ? ? ? ? 155 PHE A CE1 1 +ATOM 1217 C CE2 . PHE A 1 156 ? 31.580 64.450 143.934 1.00 26.61 ? ? ? ? ? ? 155 PHE A CE2 1 +ATOM 1218 C CZ . PHE A 1 156 ? 31.533 64.990 145.221 1.00 22.54 ? ? ? ? ? ? 155 PHE A CZ 1 +ATOM 1219 N N . GLU A 1 157 ? 37.213 67.777 141.817 1.00 31.91 ? ? ? ? ? ? 156 GLU A N 1 +ATOM 1220 C CA . GLU A 1 157 ? 38.402 68.168 141.060 1.00 36.00 ? ? ? ? ? ? 156 GLU A CA 1 +ATOM 1221 C C . GLU A 1 157 ? 39.319 66.985 140.751 1.00 34.22 ? ? ? ? ? ? 156 GLU A C 1 +ATOM 1222 O O . GLU A 1 157 ? 39.841 66.881 139.646 1.00 35.10 ? ? ? ? ? ? 156 GLU A O 1 +ATOM 1223 C CB . GLU A 1 157 ? 39.154 69.264 141.815 1.00 35.88 ? ? ? ? ? ? 156 GLU A CB 1 +ATOM 1224 C CG . GLU A 1 157 ? 38.252 70.465 142.180 1.00 44.20 ? ? ? ? ? ? 156 GLU A CG 1 +ATOM 1225 C CD . GLU A 1 157 ? 39.027 71.647 142.766 1.00 44.99 ? ? ? ? ? ? 156 GLU A CD 1 +ATOM 1226 O OE1 . GLU A 1 157 ? 39.808 72.274 142.010 1.00 59.02 ? ? ? ? ? ? 156 GLU A OE1 1 +ATOM 1227 O OE2 . GLU A 1 157 ? 38.860 71.944 143.980 1.00 55.76 ? ? ? ? ? ? 156 GLU A OE2 1 +ATOM 1228 N N . ALA A 1 158 ? 39.517 66.085 141.716 1.00 35.23 ? ? ? ? ? ? 157 ALA A N 1 +ATOM 1229 C CA . ALA A 1 158 ? 40.411 64.931 141.507 1.00 34.85 ? ? ? ? ? ? 157 ALA A CA 1 +ATOM 1230 C C . ALA A 1 158 ? 40.029 64.124 140.259 1.00 35.88 ? ? ? ? ? ? 157 ALA A C 1 +ATOM 1231 O O . ALA A 1 158 ? 38.872 63.768 140.042 1.00 35.30 ? ? ? ? ? ? 157 ALA A O 1 +ATOM 1232 C CB . ALA A 1 158 ? 40.433 64.031 142.726 1.00 34.56 ? ? ? ? ? ? 157 ALA A CB 1 +ATOM 1233 N N . GLU A 1 159 ? 41.036 63.841 139.448 1.00 37.74 ? ? ? ? ? ? 158 GLU A N 1 +ATOM 1234 C CA . GLU A 1 159 ? 40.851 63.133 138.195 1.00 41.13 ? ? ? ? ? ? 158 GLU A CA 1 +ATOM 1235 C C . GLU A 1 159 ? 40.589 61.666 138.519 1.00 38.06 ? ? ? ? ? ? 158 GLU A C 1 +ATOM 1236 O O . GLU A 1 159 ? 39.575 61.104 138.088 1.00 38.49 ? ? ? ? ? ? 158 GLU A O 1 +ATOM 1237 C CB . GLU A 1 159 ? 42.120 63.316 137.347 1.00 42.55 ? ? ? ? ? ? 158 GLU A CB 1 +ATOM 1238 C CG . GLU A 1 159 ? 42.080 62.860 135.884 1.00 51.47 ? ? ? ? ? ? 158 GLU A CG 1 +ATOM 1239 C CD . GLU A 1 159 ? 43.520 62.762 135.302 1.00 50.23 ? ? ? ? ? ? 158 GLU A CD 1 +ATOM 1240 O OE1 . GLU A 1 159 ? 44.067 63.813 134.866 1.00 56.69 ? ? ? ? ? ? 158 GLU A OE1 1 +ATOM 1241 O OE2 . GLU A 1 159 ? 44.102 61.639 135.318 1.00 59.46 ? ? ? ? ? ? 158 GLU A OE2 1 +ATOM 1242 N N . ILE A 1 160 ? 41.476 61.061 139.315 1.00 35.56 ? ? ? ? ? ? 159 ILE A N 1 +ATOM 1243 C CA . ILE A 1 160 ? 41.244 59.702 139.809 1.00 34.14 ? ? ? ? ? ? 159 ILE A CA 1 +ATOM 1244 C C . ILE A 1 160 ? 40.542 59.761 141.162 1.00 32.77 ? ? ? ? ? ? 159 ILE A C 1 +ATOM 1245 O O . ILE A 1 160 ? 41.013 60.418 142.091 1.00 31.26 ? ? ? ? ? ? 159 ILE A O 1 +ATOM 1246 C CB . ILE A 1 160 ? 42.534 58.882 139.940 1.00 34.95 ? ? ? ? ? ? 159 ILE A CB 1 +ATOM 1247 C CG1 . ILE A 1 160 ? 43.302 58.823 138.613 1.00 35.24 ? ? ? ? ? ? 159 ILE A CG1 1 +ATOM 1248 C CG2 . ILE A 1 160 ? 42.213 57.458 140.344 1.00 31.10 ? ? ? ? ? ? 159 ILE A CG2 1 +ATOM 1249 C CD1 . ILE A 1 160 ? 44.526 57.904 138.696 1.00 35.11 ? ? ? ? ? ? 159 ILE A CD1 1 +ATOM 1250 N N . ASP A 1 161 ? 39.430 59.044 141.260 1.00 31.41 ? ? ? ? ? ? 160 ASP A N 1 +ATOM 1251 C CA . ASP A 1 161 ? 38.547 59.075 142.425 1.00 32.43 ? ? ? ? ? ? 160 ASP A CA 1 +ATOM 1252 C C . ASP A 1 161 ? 37.694 57.784 142.438 1.00 32.13 ? ? ? ? ? ? 160 ASP A C 1 +ATOM 1253 O O . ASP A 1 161 ? 36.500 57.812 142.127 1.00 32.78 ? ? ? ? ? ? 160 ASP A O 1 +ATOM 1254 C CB . ASP A 1 161 ? 37.662 60.322 142.343 1.00 32.72 ? ? ? ? ? ? 160 ASP A CB 1 +ATOM 1255 C CG . ASP A 1 161 ? 36.660 60.431 143.496 1.00 35.99 ? ? ? ? ? ? 160 ASP A CG 1 +ATOM 1256 O OD1 . ASP A 1 161 ? 36.728 59.628 144.453 1.00 37.28 ? ? ? ? ? ? 160 ASP A OD1 1 +ATOM 1257 O OD2 . ASP A 1 161 ? 35.800 61.342 143.435 1.00 39.55 ? ? ? ? ? ? 160 ASP A OD2 1 +ATOM 1258 N N . ASP A 1 162 ? 38.317 56.660 142.792 1.00 31.67 ? ? ? ? ? ? 161 ASP A N 1 +ATOM 1259 C CA . ASP A 1 162 ? 37.664 55.337 142.685 1.00 30.74 ? ? ? ? ? ? 161 ASP A CA 1 +ATOM 1260 C C . ASP A 1 162 ? 37.243 54.755 144.053 1.00 29.58 ? ? ? ? ? ? 161 ASP A C 1 +ATOM 1261 O O . ASP A 1 162 ? 36.257 54.021 144.154 1.00 30.63 ? ? ? ? ? ? 161 ASP A O 1 +ATOM 1262 C CB . ASP A 1 162 ? 38.604 54.336 141.966 1.00 32.19 ? ? ? ? ? ? 161 ASP A CB 1 +ATOM 1263 C CG . ASP A 1 162 ? 38.648 54.524 140.435 1.00 36.30 ? ? ? ? ? ? 161 ASP A CG 1 +ATOM 1264 O OD1 . ASP A 1 162 ? 37.756 55.184 139.869 1.00 47.07 ? ? ? ? ? ? 161 ASP A OD1 1 +ATOM 1265 O OD2 . ASP A 1 162 ? 39.565 53.975 139.785 1.00 43.78 ? ? ? ? ? ? 161 ASP A OD2 1 +ATOM 1266 N N . HIS A 1 163 ? 38.005 55.049 145.096 1.00 26.44 ? ? ? ? ? ? 162 HIS A N 1 +ATOM 1267 C CA . HIS A 1 163 ? 37.743 54.493 146.419 1.00 23.96 ? ? ? ? ? ? 162 HIS A CA 1 +ATOM 1268 C C . HIS A 1 163 ? 38.326 55.362 147.497 1.00 22.51 ? ? ? ? ? ? 162 HIS A C 1 +ATOM 1269 O O . HIS A 1 163 ? 39.564 55.450 147.622 1.00 21.33 ? ? ? ? ? ? 162 HIS A O 1 +ATOM 1270 C CB . HIS A 1 163 ? 38.375 53.107 146.545 1.00 25.45 ? ? ? ? ? ? 162 HIS A CB 1 +ATOM 1271 C CG . HIS A 1 163 ? 38.263 52.521 147.917 1.00 22.95 ? ? ? ? ? ? 162 HIS A CG 1 +ATOM 1272 N ND1 . HIS A 1 163 ? 37.056 52.155 148.470 1.00 24.86 ? ? ? ? ? ? 162 HIS A ND1 1 +ATOM 1273 C CD2 . HIS A 1 163 ? 39.209 52.211 148.837 1.00 24.39 ? ? ? ? ? ? 162 HIS A CD2 1 +ATOM 1274 C CE1 . HIS A 1 163 ? 37.270 51.657 149.679 1.00 27.47 ? ? ? ? ? ? 162 HIS A CE1 1 +ATOM 1275 N NE2 . HIS A 1 163 ? 38.563 51.685 149.928 1.00 14.93 ? ? ? ? ? ? 162 HIS A NE2 1 +ATOM 1276 N N . ALA A 1 164 ? 37.441 55.964 148.289 1.00 21.34 ? ? ? ? ? ? 163 ALA A N 1 +ATOM 1277 C CA . ALA A 1 164 ? 37.821 56.805 149.450 1.00 21.99 ? ? ? ? ? ? 163 ALA A CA 1 +ATOM 1278 C C . ALA A 1 164 ? 38.515 58.110 148.998 1.00 23.38 ? ? ? ? ? ? 163 ALA A C 1 +ATOM 1279 O O . ALA A 1 164 ? 39.326 58.696 149.715 1.00 23.22 ? ? ? ? ? ? 163 ALA A O 1 +ATOM 1280 C CB . ALA A 1 164 ? 38.684 56.028 150.404 1.00 19.79 ? ? ? ? ? ? 163 ALA A CB 1 +ATOM 1281 N N . GLY A 1 165 ? 38.148 58.553 147.795 1.00 23.93 ? ? ? ? ? ? 164 GLY A N 1 +ATOM 1282 C CA . GLY A 1 165 ? 38.730 59.715 147.178 1.00 24.06 ? ? ? ? ? ? 164 GLY A CA 1 +ATOM 1283 C C . GLY A 1 165 ? 37.892 60.921 147.475 1.00 23.73 ? ? ? ? ? ? 164 GLY A C 1 +ATOM 1284 O O . GLY A 1 165 ? 37.142 60.937 148.462 1.00 24.36 ? ? ? ? ? ? 164 GLY A O 1 +ATOM 1285 N N . GLU A 1 166 ? 37.985 61.921 146.609 1.00 22.78 ? ? ? ? ? ? 165 GLU A N 1 +ATOM 1286 C CA . GLU A 1 166 ? 37.378 63.195 146.891 1.00 22.92 ? ? ? ? ? ? 165 GLU A CA 1 +ATOM 1287 C C . GLU A 1 166 ? 35.865 63.091 147.049 1.00 22.30 ? ? ? ? ? ? 165 GLU A C 1 +ATOM 1288 O O . GLU A 1 166 ? 35.289 63.713 147.950 1.00 23.50 ? ? ? ? ? ? 165 GLU A O 1 +ATOM 1289 C CB . GLU A 1 166 ? 37.732 64.184 145.783 1.00 23.02 ? ? ? ? ? ? 165 GLU A CB 1 +ATOM 1290 C CG . GLU A 1 166 ? 37.367 65.627 146.126 1.00 26.56 ? ? ? ? ? ? 165 GLU A CG 1 +ATOM 1291 C CD . GLU A 1 166 ? 37.782 66.615 145.060 1.00 27.62 ? ? ? ? ? ? 165 GLU A CD 1 +ATOM 1292 O OE1 . GLU A 1 166 ? 38.892 66.446 144.504 1.00 25.71 ? ? ? ? ? ? 165 GLU A OE1 1 +ATOM 1293 O OE2 . GLU A 1 166 ? 36.989 67.556 144.780 1.00 29.63 ? ? ? ? ? ? 165 GLU A OE2 1 +ATOM 1294 N N . SER A 1 167 ? 35.210 62.337 146.164 1.00 22.74 ? ? ? ? ? ? 166 SER A N 1 +ATOM 1295 C CA . SER A 1 167 ? 33.765 62.197 146.219 1.00 23.09 ? ? ? ? ? ? 166 SER A CA 1 +ATOM 1296 C C . SER A 1 167 ? 33.271 61.527 147.508 1.00 23.28 ? ? ? ? ? ? 166 SER A C 1 +ATOM 1297 O O . SER A 1 167 ? 32.464 62.126 148.197 1.00 25.28 ? ? ? ? ? ? 166 SER A O 1 +ATOM 1298 C CB . SER A 1 167 ? 33.203 61.501 144.975 1.00 24.71 ? ? ? ? ? ? 166 SER A CB 1 +ATOM 1299 O OG . SER A 1 167 ? 33.707 60.216 144.845 1.00 26.05 ? ? ? ? ? ? 166 SER A OG 1 +ATOM 1300 N N . GLU A 1 168 ? 33.739 60.321 147.848 1.00 23.62 ? ? ? ? ? ? 167 GLU A N 1 +ATOM 1301 C CA . GLU A 1 168 ? 33.259 59.660 149.082 1.00 23.06 ? ? ? ? ? ? 167 GLU A CA 1 +ATOM 1302 C C . GLU A 1 168 ? 33.521 60.501 150.328 1.00 21.38 ? ? ? ? ? ? 167 GLU A C 1 +ATOM 1303 O O . GLU A 1 168 ? 32.674 60.547 151.240 1.00 20.99 ? ? ? ? ? ? 167 GLU A O 1 +ATOM 1304 C CB . GLU A 1 168 ? 33.889 58.256 149.283 1.00 23.87 ? ? ? ? ? ? 167 GLU A CB 1 +ATOM 1305 C CG . GLU A 1 168 ? 33.028 57.128 148.736 1.00 26.95 ? ? ? ? ? ? 167 GLU A CG 1 +ATOM 1306 C CD . GLU A 1 168 ? 33.572 55.737 149.000 1.00 25.93 ? ? ? ? ? ? 167 GLU A CD 1 +ATOM 1307 O OE1 . GLU A 1 168 ? 34.810 55.519 148.951 1.00 23.60 ? ? ? ? ? ? 167 GLU A OE1 1 +ATOM 1308 O OE2 . GLU A 1 168 ? 32.733 54.828 149.222 1.00 25.49 ? ? ? ? ? ? 167 GLU A OE2 1 +ATOM 1309 N N . THR A 1 169 ? 34.725 61.087 150.409 1.00 20.36 ? ? ? ? ? ? 168 THR A N 1 +ATOM 1310 C CA . THR A 1 169 ? 35.107 61.928 151.555 1.00 20.43 ? ? ? ? ? ? 168 THR A CA 1 +ATOM 1311 C C . THR A 1 169 ? 34.220 63.188 151.701 1.00 20.49 ? ? ? ? ? ? 168 THR A C 1 +ATOM 1312 O O . THR A 1 169 ? 33.824 63.563 152.809 1.00 22.51 ? ? ? ? ? ? 168 THR A O 1 +ATOM 1313 C CB . THR A 1 169 ? 36.579 62.353 151.453 1.00 20.32 ? ? ? ? ? ? 168 THR A CB 1 +ATOM 1314 O OG1 . THR A 1 169 ? 37.378 61.192 151.424 1.00 19.30 ? ? ? ? ? ? 168 THR A OG1 1 +ATOM 1315 C CG2 . THR A 1 169 ? 37.030 63.186 152.632 1.00 22.16 ? ? ? ? ? ? 168 THR A CG2 1 +ATOM 1316 N N . SER A 1 170 ? 33.890 63.825 150.586 1.00 20.85 ? ? ? ? ? ? 169 SER A N 1 +ATOM 1317 C CA . SER A 1 170 ? 33.061 65.004 150.615 1.00 20.51 ? ? ? ? ? ? 169 SER A CA 1 +ATOM 1318 C C . SER A 1 170 ? 31.704 64.631 151.141 1.00 21.24 ? ? ? ? ? ? 169 SER A C 1 +ATOM 1319 O O . SER A 1 170 ? 31.150 65.330 151.989 1.00 21.05 ? ? ? ? ? ? 169 SER A O 1 +ATOM 1320 C CB . SER A 1 170 ? 32.942 65.661 149.238 1.00 21.68 ? ? ? ? ? ? 169 SER A CB 1 +ATOM 1321 O OG . SER A 1 170 ? 34.215 66.139 148.793 1.00 21.62 ? ? ? ? ? ? 169 SER A OG 1 +ATOM 1322 N N . VAL A 1 171 ? 31.176 63.505 150.674 1.00 21.64 ? ? ? ? ? ? 170 VAL A N 1 +ATOM 1323 C CA . VAL A 1 171 ? 29.837 63.086 151.095 1.00 20.21 ? ? ? ? ? ? 170 VAL A CA 1 +ATOM 1324 C C . VAL A 1 171 ? 29.839 62.670 152.569 1.00 20.11 ? ? ? ? ? ? 170 VAL A C 1 +ATOM 1325 O O . VAL A 1 171 ? 28.900 62.969 153.290 1.00 22.77 ? ? ? ? ? ? 170 VAL A O 1 +ATOM 1326 C CB . VAL A 1 171 ? 29.275 62.025 150.118 1.00 20.35 ? ? ? ? ? ? 170 VAL A CB 1 +ATOM 1327 C CG1 . VAL A 1 171 ? 27.844 61.660 150.470 1.00 17.94 ? ? ? ? ? ? 170 VAL A CG1 1 +ATOM 1328 C CG2 . VAL A 1 171 ? 29.366 62.583 148.710 1.00 20.85 ? ? ? ? ? ? 170 VAL A CG2 1 +ATOM 1329 N N . MSE A 1 172 ? 30.904 62.035 153.048 1.00 20.18 ? ? ? ? ? ? 171 MSE A N 1 +ATOM 1330 C CA . MSE A 1 172 ? 31.030 61.737 154.493 1.00 20.71 ? ? ? ? ? ? 171 MSE A CA 1 +ATOM 1331 C C . MSE A 1 172 ? 31.142 63.007 155.330 1.00 21.27 ? ? ? ? ? ? 171 MSE A C 1 +ATOM 1332 O O . MSE A 1 172 ? 30.515 63.109 156.384 1.00 21.08 ? ? ? ? ? ? 171 MSE A O 1 +ATOM 1333 C CB . MSE A 1 172 ? 32.249 60.829 154.806 1.00 22.47 ? ? ? ? ? ? 171 MSE A CB 1 +ATOM 1334 C CG . MSE A 1 172 ? 32.289 60.275 156.250 1.00 22.58 ? ? ? ? ? ? 171 MSE A CG 1 +ATOM 1335 SE SE . MSE A 1 172 ? 30.688 59.201 156.736 0.75 22.90 ? ? ? ? ? ? 171 MSE A SE 1 +ATOM 1336 C CE . MSE A 1 172 ? 30.976 57.687 155.552 1.00 19.93 ? ? ? ? ? ? 171 MSE A CE 1 +ATOM 1337 N N . MSE A 1 173 ? 31.963 63.954 154.860 1.00 22.07 ? ? ? ? ? ? 172 MSE A N 1 +ATOM 1338 C CA . MSE A 1 173 ? 32.087 65.276 155.498 1.00 21.91 ? ? ? ? ? ? 172 MSE A CA 1 +ATOM 1339 C C . MSE A 1 173 ? 30.754 65.977 155.627 1.00 22.21 ? ? ? ? ? ? 172 MSE A C 1 +ATOM 1340 O O . MSE A 1 173 ? 30.497 66.614 156.622 1.00 23.62 ? ? ? ? ? ? 172 MSE A O 1 +ATOM 1341 C CB . MSE A 1 173 ? 33.075 66.163 154.749 1.00 19.74 ? ? ? ? ? ? 172 MSE A CB 1 +ATOM 1342 C CG . MSE A 1 173 ? 34.528 65.692 154.967 1.00 24.53 ? ? ? ? ? ? 172 MSE A CG 1 +ATOM 1343 SE SE . MSE A 1 173 ? 35.811 66.644 153.908 0.75 25.14 ? ? ? ? ? ? 172 MSE A SE 1 +ATOM 1344 C CE . MSE A 1 173 ? 36.052 68.128 155.160 1.00 23.86 ? ? ? ? ? ? 172 MSE A CE 1 +ATOM 1345 N N . HIS A 1 174 ? 29.909 65.822 154.633 1.00 21.73 ? ? ? ? ? ? 173 HIS A N 1 +ATOM 1346 C CA . HIS A 1 174 ? 28.596 66.394 154.668 1.00 21.52 ? ? ? ? ? ? 173 HIS A CA 1 +ATOM 1347 C C . HIS A 1 174 ? 27.695 65.693 155.672 1.00 23.05 ? ? ? ? ? ? 173 HIS A C 1 +ATOM 1348 O O . HIS A 1 174 ? 27.074 66.351 156.502 1.00 22.95 ? ? ? ? ? ? 173 HIS A O 1 +ATOM 1349 C CB . HIS A 1 174 ? 27.976 66.373 153.283 1.00 21.95 ? ? ? ? ? ? 173 HIS A CB 1 +ATOM 1350 C CG . HIS A 1 174 ? 26.510 66.688 153.266 1.00 22.29 ? ? ? ? ? ? 173 HIS A CG 1 +ATOM 1351 N ND1 . HIS A 1 174 ? 25.988 67.862 153.767 1.00 22.31 ? ? ? ? ? ? 173 HIS A ND1 1 +ATOM 1352 C CD2 . HIS A 1 174 ? 25.454 65.967 152.826 1.00 23.37 ? ? ? ? ? ? 173 HIS A CD2 1 +ATOM 1353 C CE1 . HIS A 1 174 ? 24.674 67.849 153.637 1.00 23.46 ? ? ? ? ? ? 173 HIS A CE1 1 +ATOM 1354 N NE2 . HIS A 1 174 ? 24.322 66.710 153.069 1.00 19.88 ? ? ? ? ? ? 173 HIS A NE2 1 +ATOM 1355 N N . TYR A 1 175 ? 27.611 64.369 155.604 1.00 22.72 ? ? ? ? ? ? 174 TYR A N 1 +ATOM 1356 C CA . TYR A 1 175 ? 26.635 63.638 156.438 1.00 21.57 ? ? ? ? ? ? 174 TYR A CA 1 +ATOM 1357 C C . TYR A 1 175 ? 27.107 63.386 157.877 1.00 20.80 ? ? ? ? ? ? 174 TYR A C 1 +ATOM 1358 O O . TYR A 1 175 ? 26.315 63.415 158.806 1.00 19.04 ? ? ? ? ? ? 174 TYR A O 1 +ATOM 1359 C CB . TYR A 1 175 ? 26.252 62.328 155.772 1.00 22.01 ? ? ? ? ? ? 174 TYR A CB 1 +ATOM 1360 C CG . TYR A 1 175 ? 25.219 62.419 154.679 1.00 19.28 ? ? ? ? ? ? 174 TYR A CG 1 +ATOM 1361 C CD1 . TYR A 1 175 ? 23.960 62.987 154.917 1.00 22.65 ? ? ? ? ? ? 174 TYR A CD1 1 +ATOM 1362 C CD2 . TYR A 1 175 ? 25.449 61.846 153.449 1.00 19.95 ? ? ? ? ? ? 174 TYR A CD2 1 +ATOM 1363 C CE1 . TYR A 1 175 ? 23.002 63.027 153.938 1.00 22.73 ? ? ? ? ? ? 174 TYR A CE1 1 +ATOM 1364 C CE2 . TYR A 1 175 ? 24.495 61.895 152.455 1.00 22.21 ? ? ? ? ? ? 174 TYR A CE2 1 +ATOM 1365 C CZ . TYR A 1 175 ? 23.283 62.467 152.693 1.00 21.90 ? ? ? ? ? ? 174 TYR A CZ 1 +ATOM 1366 O OH . TYR A 1 175 ? 22.343 62.462 151.703 1.00 17.20 ? ? ? ? ? ? 174 TYR A OH 1 +ATOM 1367 N N . HIS A 1 176 ? 28.394 63.121 158.051 1.00 21.61 ? ? ? ? ? ? 175 HIS A N 1 +ATOM 1368 C CA . HIS A 1 176 ? 28.961 62.792 159.353 1.00 22.30 ? ? ? ? ? ? 175 HIS A CA 1 +ATOM 1369 C C . HIS A 1 176 ? 30.372 63.376 159.445 1.00 23.16 ? ? ? ? ? ? 175 HIS A C 1 +ATOM 1370 O O . HIS A 1 176 ? 31.319 62.639 159.406 1.00 23.54 ? ? ? ? ? ? 175 HIS A O 1 +ATOM 1371 C CB . HIS A 1 176 ? 29.058 61.261 159.546 1.00 21.96 ? ? ? ? ? ? 175 HIS A CB 1 +ATOM 1372 C CG . HIS A 1 176 ? 27.741 60.576 159.509 1.00 23.99 ? ? ? ? ? ? 175 HIS A CG 1 +ATOM 1373 N ND1 . HIS A 1 176 ? 26.898 60.542 160.595 1.00 26.74 ? ? ? ? ? ? 175 HIS A ND1 1 +ATOM 1374 C CD2 . HIS A 1 176 ? 27.080 59.965 158.499 1.00 24.31 ? ? ? ? ? ? 175 HIS A CD2 1 +ATOM 1375 C CE1 . HIS A 1 176 ? 25.784 59.911 160.265 1.00 28.68 ? ? ? ? ? ? 175 HIS A CE1 1 +ATOM 1376 N NE2 . HIS A 1 176 ? 25.872 59.551 158.999 1.00 23.68 ? ? ? ? ? ? 175 HIS A NE2 1 +ATOM 1377 N N . PRO A 1 177 ? 30.504 64.709 159.585 1.00 25.47 ? ? ? ? ? ? 176 PRO A N 1 +ATOM 1378 C CA . PRO A 1 177 ? 31.834 65.318 159.738 1.00 26.23 ? ? ? ? ? ? 176 PRO A CA 1 +ATOM 1379 C C . PRO A 1 177 ? 32.589 64.774 160.968 1.00 26.19 ? ? ? ? ? ? 176 PRO A C 1 +ATOM 1380 O O . PRO A 1 177 ? 33.824 64.730 160.966 1.00 27.10 ? ? ? ? ? ? 176 PRO A O 1 +ATOM 1381 C CB . PRO A 1 177 ? 31.520 66.807 159.919 1.00 26.52 ? ? ? ? ? ? 176 PRO A CB 1 +ATOM 1382 C CG . PRO A 1 177 ? 30.086 66.849 160.364 1.00 25.08 ? ? ? ? ? ? 176 PRO A CG 1 +ATOM 1383 C CD . PRO A 1 177 ? 29.425 65.721 159.668 1.00 25.08 ? ? ? ? ? ? 176 PRO A CD 1 +ATOM 1384 N N . GLU A 1 178 ? 31.844 64.328 161.978 1.00 26.99 ? ? ? ? ? ? 177 GLU A N 1 +ATOM 1385 C CA . GLU A 1 178 ? 32.454 63.728 163.166 1.00 27.63 ? ? ? ? ? ? 177 GLU A CA 1 +ATOM 1386 C C . GLU A 1 178 ? 33.188 62.388 162.897 1.00 27.42 ? ? ? ? ? ? 177 GLU A C 1 +ATOM 1387 O O . GLU A 1 178 ? 34.034 61.996 163.682 1.00 27.01 ? ? ? ? ? ? 177 GLU A O 1 +ATOM 1388 C CB . GLU A 1 178 ? 31.418 63.623 164.314 1.00 28.32 ? ? ? ? ? ? 177 GLU A CB 1 +ATOM 1389 C CG . GLU A 1 178 ? 30.473 62.413 164.290 1.00 29.91 ? ? ? ? ? ? 177 GLU A CG 1 +ATOM 1390 C CD . GLU A 1 178 ? 29.395 62.481 163.232 1.00 32.15 ? ? ? ? ? ? 177 GLU A CD 1 +ATOM 1391 O OE1 . GLU A 1 178 ? 29.224 63.539 162.563 1.00 27.14 ? ? ? ? ? ? 177 GLU A OE1 1 +ATOM 1392 O OE2 . GLU A 1 178 ? 28.721 61.441 163.076 1.00 36.37 ? ? ? ? ? ? 177 GLU A OE2 1 +ATOM 1393 N N . LEU A 1 179 ? 32.912 61.722 161.774 1.00 26.38 ? ? ? ? ? ? 178 LEU A N 1 +ATOM 1394 C CA . LEU A 1 179 ? 33.544 60.419 161.477 1.00 25.87 ? ? ? ? ? ? 178 LEU A CA 1 +ATOM 1395 C C . LEU A 1 179 ? 34.742 60.488 160.540 1.00 26.89 ? ? ? ? ? ? 178 LEU A C 1 +ATOM 1396 O O . LEU A 1 179 ? 35.404 59.460 160.276 1.00 28.68 ? ? ? ? ? ? 178 LEU A O 1 +ATOM 1397 C CB . LEU A 1 179 ? 32.522 59.474 160.858 1.00 26.27 ? ? ? ? ? ? 178 LEU A CB 1 +ATOM 1398 C CG . LEU A 1 179 ? 31.387 59.097 161.780 1.00 25.39 ? ? ? ? ? ? 178 LEU A CG 1 +ATOM 1399 C CD1 . LEU A 1 179 ? 30.394 58.263 160.956 1.00 26.40 ? ? ? ? ? ? 178 LEU A CD1 1 +ATOM 1400 C CD2 . LEU A 1 179 ? 31.881 58.347 163.000 1.00 24.76 ? ? ? ? ? ? 178 LEU A CD2 1 +ATOM 1401 N N . VAL A 1 180 ? 35.028 61.686 160.038 1.00 27.18 ? ? ? ? ? ? 179 VAL A N 1 +ATOM 1402 C CA . VAL A 1 180 ? 36.144 61.887 159.122 1.00 27.33 ? ? ? ? ? ? 179 VAL A CA 1 +ATOM 1403 C C . VAL A 1 180 ? 36.987 63.091 159.552 1.00 28.15 ? ? ? ? ? ? 179 VAL A C 1 +ATOM 1404 O O . VAL A 1 180 ? 36.474 64.161 159.833 1.00 28.54 ? ? ? ? ? ? 179 VAL A O 1 +ATOM 1405 C CB . VAL A 1 180 ? 35.677 62.077 157.630 1.00 27.78 ? ? ? ? ? ? 179 VAL A CB 1 +ATOM 1406 C CG1 . VAL A 1 180 ? 34.869 63.309 157.492 1.00 26.97 ? ? ? ? ? ? 179 VAL A CG1 1 +ATOM 1407 C CG2 . VAL A 1 180 ? 36.885 62.171 156.703 1.00 29.48 ? ? ? ? ? ? 179 VAL A CG2 1 +ATOM 1408 N N . ASN A 1 181 ? 38.295 62.889 159.621 1.00 29.75 ? ? ? ? ? ? 180 ASN A N 1 +ATOM 1409 C CA . ASN A 1 181 ? 39.249 64.006 159.766 1.00 32.36 ? ? ? ? ? ? 180 ASN A CA 1 +ATOM 1410 C C . ASN A 1 181 ? 40.116 63.975 158.518 1.00 27.58 ? ? ? ? ? ? 180 ASN A C 1 +ATOM 1411 O O . ASN A 1 181 ? 40.952 63.090 158.370 1.00 27.49 ? ? ? ? ? ? 180 ASN A O 1 +ATOM 1412 C CB . ASN A 1 181 ? 40.065 63.851 161.067 1.00 35.22 ? ? ? ? ? ? 180 ASN A CB 1 +ATOM 1413 C CG . ASN A 1 181 ? 41.153 64.939 161.240 1.00 48.62 ? ? ? ? ? ? 180 ASN A CG 1 +ATOM 1414 O OD1 . ASN A 1 181 ? 41.061 66.061 160.698 1.00 60.97 ? ? ? ? ? ? 180 ASN A OD1 1 +ATOM 1415 N ND2 . ASN A 1 181 ? 42.194 64.596 162.003 1.00 61.52 ? ? ? ? ? ? 180 ASN A ND2 1 +ATOM 1416 N N . LEU A 1 182 ? 39.873 64.900 157.591 1.00 27.11 ? ? ? ? ? ? 181 LEU A N 1 +ATOM 1417 C CA . LEU A 1 182 ? 40.583 64.924 156.288 1.00 27.20 ? ? ? ? ? ? 181 LEU A CA 1 +ATOM 1418 C C . LEU A 1 182 ? 42.108 64.991 156.410 1.00 27.21 ? ? ? ? ? ? 181 LEU A C 1 +ATOM 1419 O O . LEU A 1 182 ? 42.805 64.463 155.560 1.00 27.00 ? ? ? ? ? ? 181 LEU A O 1 +ATOM 1420 C CB . LEU A 1 182 ? 40.106 66.098 155.437 1.00 29.52 ? ? ? ? ? ? 181 LEU A CB 1 +ATOM 1421 C CG . LEU A 1 182 ? 40.667 66.264 154.022 1.00 28.72 ? ? ? ? ? ? 181 LEU A CG 1 +ATOM 1422 C CD1 . LEU A 1 182 ? 40.380 65.052 153.153 1.00 27.69 ? ? ? ? ? ? 181 LEU A CD1 1 +ATOM 1423 C CD2 . LEU A 1 182 ? 40.067 67.519 153.441 1.00 26.79 ? ? ? ? ? ? 181 LEU A CD2 1 +ATOM 1424 N N . ALA A 1 183 ? 42.615 65.638 157.465 1.00 28.52 ? ? ? ? ? ? 182 ALA A N 1 +ATOM 1425 C CA . ALA A 1 183 ? 44.081 65.769 157.710 1.00 28.92 ? ? ? ? ? ? 182 ALA A CA 1 +ATOM 1426 C C . ALA A 1 183 ? 44.783 64.434 157.800 1.00 30.17 ? ? ? ? ? ? 182 ALA A C 1 +ATOM 1427 O O . ALA A 1 183 ? 45.993 64.362 157.567 1.00 30.54 ? ? ? ? ? ? 182 ALA A O 1 +ATOM 1428 C CB . ALA A 1 183 ? 44.340 66.531 159.010 1.00 29.63 ? ? ? ? ? ? 182 ALA A CB 1 +ATOM 1429 N N . GLU A 1 184 ? 44.045 63.382 158.182 1.00 30.75 ? ? ? ? ? ? 183 GLU A N 1 +ATOM 1430 C CA . GLU A 1 184 ? 44.635 62.044 158.328 1.00 31.63 ? ? ? ? ? ? 183 GLU A CA 1 +ATOM 1431 C C . GLU A 1 184 ? 44.724 61.282 156.994 1.00 28.15 ? ? ? ? ? ? 183 GLU A C 1 +ATOM 1432 O O . GLU A 1 184 ? 45.363 60.249 156.915 1.00 28.17 ? ? ? ? ? ? 183 GLU A O 1 +ATOM 1433 C CB . GLU A 1 184 ? 43.821 61.226 159.335 1.00 33.56 ? ? ? ? ? ? 183 GLU A CB 1 +ATOM 1434 C CG . GLU A 1 184 ? 43.786 61.806 160.762 1.00 35.70 ? ? ? ? ? ? 183 GLU A CG 1 +ATOM 1435 C CD . GLU A 1 184 ? 42.737 61.125 161.676 1.00 40.60 ? ? ? ? ? ? 183 GLU A CD 1 +ATOM 1436 O OE1 . GLU A 1 184 ? 42.138 60.077 161.254 1.00 45.28 ? ? ? ? ? ? 183 GLU A OE1 1 +ATOM 1437 O OE2 . GLU A 1 184 ? 42.513 61.655 162.815 1.00 46.15 ? ? ? ? ? ? 183 GLU A OE2 1 +ATOM 1438 N N . ALA A 1 185 ? 44.072 61.767 155.944 1.00 26.74 ? ? ? ? ? ? 184 ALA A N 1 +ATOM 1439 C CA . ALA A 1 185 ? 44.092 61.061 154.678 1.00 25.63 ? ? ? ? ? ? 184 ALA A CA 1 +ATOM 1440 C C . ALA A 1 185 ? 45.523 61.000 154.119 1.00 26.53 ? ? ? ? ? ? 184 ALA A C 1 +ATOM 1441 O O . ALA A 1 185 ? 46.298 61.952 154.284 1.00 27.44 ? ? ? ? ? ? 184 ALA A O 1 +ATOM 1442 C CB . ALA A 1 185 ? 43.170 61.733 153.712 1.00 26.10 ? ? ? ? ? ? 184 ALA A CB 1 +ATOM 1443 N N . GLY A 1 186 ? 45.875 59.854 153.518 1.00 26.46 ? ? ? ? ? ? 185 GLY A N 1 +ATOM 1444 C CA . GLY A 1 186 ? 47.055 59.735 152.652 1.00 24.93 ? ? ? ? ? ? 185 GLY A CA 1 +ATOM 1445 C C . GLY A 1 186 ? 46.647 60.156 151.241 1.00 25.50 ? ? ? ? ? ? 185 GLY A C 1 +ATOM 1446 O O . GLY A 1 186 ? 45.482 60.456 151.018 1.00 25.10 ? ? ? ? ? ? 185 GLY A O 1 +ATOM 1447 N N . ASP A 1 187 ? 47.596 60.169 150.300 1.00 26.51 ? ? ? ? ? ? 186 ASP A N 1 +ATOM 1448 C CA . ASP A 1 187 ? 47.353 60.638 148.925 1.00 30.77 ? ? ? ? ? ? 186 ASP A CA 1 +ATOM 1449 C C . ASP A 1 187 ? 46.489 59.711 148.064 1.00 27.67 ? ? ? ? ? ? 186 ASP A C 1 +ATOM 1450 O O . ASP A 1 187 ? 46.050 60.101 146.963 1.00 27.45 ? ? ? ? ? ? 186 ASP A O 1 +ATOM 1451 C CB . ASP A 1 187 ? 48.705 60.780 148.178 1.00 34.42 ? ? ? ? ? ? 186 ASP A CB 1 +ATOM 1452 C CG . ASP A 1 187 ? 49.511 62.007 148.618 1.00 45.56 ? ? ? ? ? ? 186 ASP A CG 1 +ATOM 1453 O OD1 . ASP A 1 187 ? 48.979 62.889 149.351 1.00 56.10 ? ? ? ? ? ? 186 ASP A OD1 1 +ATOM 1454 O OD2 . ASP A 1 187 ? 50.696 62.078 148.218 1.00 52.78 ? ? ? ? ? ? 186 ASP A OD2 1 +ATOM 1455 N N . GLY A 1 188 ? 46.317 58.461 148.504 1.00 27.56 ? ? ? ? ? ? 187 GLY A N 1 +ATOM 1456 C CA . GLY A 1 188 ? 45.602 57.443 147.727 1.00 26.84 ? ? ? ? ? ? 187 GLY A CA 1 +ATOM 1457 C C . GLY A 1 188 ? 46.223 57.149 146.368 1.00 27.13 ? ? ? ? ? ? 187 GLY A C 1 +ATOM 1458 O O . GLY A 1 188 ? 45.486 56.938 145.387 1.00 25.74 ? ? ? ? ? ? 187 GLY A O 1 +ATOM 1459 N N . GLU A 1 189 ? 47.564 57.158 146.297 1.00 28.10 ? ? ? ? ? ? 188 GLU A N 1 +ATOM 1460 C CA . GLU A 1 189 ? 48.264 56.895 145.022 1.00 30.63 ? ? ? ? ? ? 188 GLU A CA 1 +ATOM 1461 C C . GLU A 1 189 ? 47.955 55.462 144.627 1.00 30.69 ? ? ? ? ? ? 188 GLU A C 1 +ATOM 1462 O O . GLU A 1 189 ? 47.847 54.571 145.499 1.00 30.39 ? ? ? ? ? ? 188 GLU A O 1 +ATOM 1463 C CB . GLU A 1 189 ? 49.788 57.137 145.096 1.00 28.94 ? ? ? ? ? ? 188 GLU A CB 1 +ATOM 1464 N N . SER A 1 190 ? 47.754 55.247 143.324 1.00 32.15 ? ? ? ? ? ? 189 SER A N 1 +ATOM 1465 C CA . SER A 1 190 ? 47.487 53.902 142.792 1.00 33.01 ? ? ? ? ? ? 189 SER A CA 1 +ATOM 1466 C C . SER A 1 190 ? 48.373 53.577 141.586 1.00 33.73 ? ? ? ? ? ? 189 SER A C 1 +ATOM 1467 O O . SER A 1 190 ? 48.756 54.474 140.823 1.00 34.57 ? ? ? ? ? ? 189 SER A O 1 +ATOM 1468 C CB . SER A 1 190 ? 46.005 53.761 142.434 1.00 33.28 ? ? ? ? ? ? 189 SER A CB 1 +ATOM 1469 O OG . SER A 1 190 ? 45.579 54.808 141.588 1.00 38.63 ? ? ? ? ? ? 189 SER A OG 1 +ATOM 1470 N N . LYS A 1 191 ? 48.699 52.293 141.439 1.00 32.70 ? ? ? ? ? ? 190 LYS A N 1 +ATOM 1471 C CA . LYS A 1 191 ? 49.491 51.796 140.308 1.00 34.77 ? ? ? ? ? ? 190 LYS A CA 1 +ATOM 1472 C C . LYS A 1 191 ? 48.602 51.028 139.337 1.00 32.01 ? ? ? ? ? ? 190 LYS A C 1 +ATOM 1473 O O . LYS A 1 191 ? 47.729 50.274 139.774 1.00 31.03 ? ? ? ? ? ? 190 LYS A O 1 +ATOM 1474 C CB . LYS A 1 191 ? 50.588 50.865 140.788 1.00 35.03 ? ? ? ? ? ? 190 LYS A CB 1 +ATOM 1475 C CG . LYS A 1 191 ? 51.758 51.575 141.412 1.00 42.46 ? ? ? ? ? ? 190 LYS A CG 1 +ATOM 1476 C CD . LYS A 1 191 ? 52.849 50.596 141.860 1.00 42.98 ? ? ? ? ? ? 190 LYS A CD 1 +ATOM 1477 C CE . LYS A 1 191 ? 53.981 51.369 142.591 1.00 54.95 ? ? ? ? ? ? 190 LYS A CE 1 +ATOM 1478 N NZ . LYS A 1 191 ? 55.032 50.520 143.259 1.00 54.62 ? ? ? ? ? ? 190 LYS A NZ 1 +ATOM 1479 N N . PRO A 1 192 ? 48.825 51.208 138.013 1.00 30.92 ? ? ? ? ? ? 191 PRO A N 1 +ATOM 1480 C CA . PRO A 1 192 ? 48.075 50.439 137.024 1.00 29.77 ? ? ? ? ? ? 191 PRO A CA 1 +ATOM 1481 C C . PRO A 1 192 ? 48.665 49.042 136.822 1.00 27.37 ? ? ? ? ? ? 191 PRO A C 1 +ATOM 1482 O O . PRO A 1 192 ? 49.669 48.666 137.466 1.00 26.64 ? ? ? ? ? ? 191 PRO A O 1 +ATOM 1483 C CB . PRO A 1 192 ? 48.226 51.283 135.745 1.00 32.43 ? ? ? ? ? ? 191 PRO A CB 1 +ATOM 1484 C CG . PRO A 1 192 ? 49.600 51.863 135.871 1.00 32.28 ? ? ? ? ? ? 191 PRO A CG 1 +ATOM 1485 C CD . PRO A 1 192 ? 49.800 52.114 137.368 1.00 31.27 ? ? ? ? ? ? 191 PRO A CD 1 +ATOM 1486 N N . PHE A 1 193 ? 48.013 48.274 135.956 1.00 26.49 ? ? ? ? ? ? 192 PHE A N 1 +ATOM 1487 C CA . PHE A 1 193 ? 48.458 46.939 135.585 1.00 25.90 ? ? ? ? ? ? 192 PHE A CA 1 +ATOM 1488 C C . PHE A 1 193 ? 49.658 47.089 134.628 1.00 26.31 ? ? ? ? ? ? 192 PHE A C 1 +ATOM 1489 O O . PHE A 1 193 ? 49.776 48.126 133.943 1.00 26.10 ? ? ? ? ? ? 192 PHE A O 1 +ATOM 1490 C CB . PHE A 1 193 ? 47.340 46.178 134.835 1.00 27.14 ? ? ? ? ? ? 192 PHE A CB 1 +ATOM 1491 C CG . PHE A 1 193 ? 46.062 45.941 135.629 1.00 24.56 ? ? ? ? ? ? 192 PHE A CG 1 +ATOM 1492 C CD1 . PHE A 1 193 ? 46.076 45.197 136.807 1.00 23.06 ? ? ? ? ? ? 192 PHE A CD1 1 +ATOM 1493 C CD2 . PHE A 1 193 ? 44.834 46.389 135.131 1.00 23.57 ? ? ? ? ? ? 192 PHE A CD2 1 +ATOM 1494 C CE1 . PHE A 1 193 ? 44.905 44.926 137.492 1.00 25.49 ? ? ? ? ? ? 192 PHE A CE1 1 +ATOM 1495 C CE2 . PHE A 1 193 ? 43.638 46.140 135.816 1.00 24.47 ? ? ? ? ? ? 192 PHE A CE2 1 +ATOM 1496 C CZ . PHE A 1 193 ? 43.674 45.408 137.001 1.00 25.18 ? ? ? ? ? ? 192 PHE A CZ 1 +ATOM 1497 N N . ALA A 1 194 ? 50.496 46.054 134.572 1.00 26.23 ? ? ? ? ? ? 193 ALA A N 1 +ATOM 1498 C CA . ALA A 1 194 ? 51.599 45.936 133.608 1.00 27.43 ? ? ? ? ? ? 193 ALA A CA 1 +ATOM 1499 C C . ALA A 1 194 ? 51.144 45.376 132.246 1.00 28.37 ? ? ? ? ? ? 193 ALA A C 1 +ATOM 1500 O O . ALA A 1 194 ? 51.946 45.316 131.326 1.00 29.54 ? ? ? ? ? ? 193 ALA A O 1 +ATOM 1501 C CB . ALA A 1 194 ? 52.759 45.035 134.193 1.00 26.43 ? ? ? ? ? ? 193 ALA A CB 1 +ATOM 1502 N N . ILE A 1 195 ? 49.871 44.949 132.150 1.00 28.49 ? ? ? ? ? ? 194 ILE A N 1 +ATOM 1503 C CA . ILE A 1 195 ? 49.227 44.506 130.908 1.00 25.47 ? ? ? ? ? ? 194 ILE A CA 1 +ATOM 1504 C C . ILE A 1 195 ? 48.385 45.671 130.367 1.00 26.41 ? ? ? ? ? ? 194 ILE A C 1 +ATOM 1505 O O . ILE A 1 195 ? 47.328 45.986 130.906 1.00 27.12 ? ? ? ? ? ? 194 ILE A O 1 +ATOM 1506 C CB . ILE A 1 195 ? 48.375 43.220 131.166 1.00 26.63 ? ? ? ? ? ? 194 ILE A CB 1 +ATOM 1507 C CG1 . ILE A 1 195 ? 49.284 42.093 131.719 1.00 22.88 ? ? ? ? ? ? 194 ILE A CG1 1 +ATOM 1508 C CG2 . ILE A 1 195 ? 47.666 42.753 129.890 1.00 23.56 ? ? ? ? ? ? 194 ILE A CG2 1 +ATOM 1509 C CD1 . ILE A 1 195 ? 48.558 40.859 132.286 1.00 24.58 ? ? ? ? ? ? 194 ILE A CD1 1 +ATOM 1510 N N . ALA A 1 196 ? 48.869 46.319 129.308 1.00 25.85 ? ? ? ? ? ? 195 ALA A N 1 +ATOM 1511 C CA . ALA A 1 196 ? 48.308 47.560 128.825 1.00 24.99 ? ? ? ? ? ? 195 ALA A CA 1 +ATOM 1512 C C . ALA A 1 196 ? 46.843 47.421 128.469 1.00 24.90 ? ? ? ? ? ? 195 ALA A C 1 +ATOM 1513 O O . ALA A 1 196 ? 46.032 48.291 128.827 1.00 25.95 ? ? ? ? ? ? 195 ALA A O 1 +ATOM 1514 C CB . ALA A 1 196 ? 49.103 48.065 127.602 1.00 25.86 ? ? ? ? ? ? 195 ALA A CB 1 +ATOM 1515 N N . SER A 1 197 ? 46.499 46.319 127.776 1.00 24.62 ? ? ? ? ? ? 196 SER A N 1 +ATOM 1516 C CA . SER A 1 197 ? 45.111 46.057 127.342 1.00 23.99 ? ? ? ? ? ? 196 SER A CA 1 +ATOM 1517 C C . SER A 1 197 ? 44.084 46.041 128.488 1.00 23.76 ? ? ? ? ? ? 196 SER A C 1 +ATOM 1518 O O . SER A 1 197 ? 42.888 46.427 128.298 1.00 23.50 ? ? ? ? ? ? 196 SER A O 1 +ATOM 1519 C CB . SER A 1 197 ? 45.040 44.767 126.531 1.00 26.24 ? ? ? ? ? ? 196 SER A CB 1 +ATOM 1520 O OG . SER A 1 197 ? 45.886 44.833 125.383 1.00 26.31 ? ? ? ? ? ? 196 SER A OG 1 +ATOM 1521 N N . LEU A 1 198 ? 44.549 45.636 129.673 1.00 23.94 ? ? ? ? ? ? 197 LEU A N 1 +ATOM 1522 C CA . LEU A 1 198 ? 43.712 45.680 130.887 1.00 24.41 ? ? ? ? ? ? 197 LEU A CA 1 +ATOM 1523 C C . LEU A 1 198 ? 43.497 47.110 131.394 1.00 25.23 ? ? ? ? ? ? 197 LEU A C 1 +ATOM 1524 O O . LEU A 1 198 ? 42.433 47.403 131.902 1.00 25.92 ? ? ? ? ? ? 197 LEU A O 1 +ATOM 1525 C CB . LEU A 1 198 ? 44.295 44.791 132.007 1.00 24.16 ? ? ? ? ? ? 197 LEU A CB 1 +ATOM 1526 C CG . LEU A 1 198 ? 44.487 43.290 131.684 1.00 24.30 ? ? ? ? ? ? 197 LEU A CG 1 +ATOM 1527 C CD1 . LEU A 1 198 ? 45.094 42.548 132.856 1.00 22.59 ? ? ? ? ? ? 197 LEU A CD1 1 +ATOM 1528 C CD2 . LEU A 1 198 ? 43.205 42.604 131.237 1.00 20.90 ? ? ? ? ? ? 197 LEU A CD2 1 +ATOM 1529 N N . ASN A 1 199 ? 44.494 48.003 131.274 1.00 27.18 ? ? ? ? ? ? 198 ASN A N 1 +ATOM 1530 C CA . ASN A 1 199 ? 44.295 49.408 131.678 1.00 27.20 ? ? ? ? ? ? 198 ASN A CA 1 +ATOM 1531 C C . ASN A 1 199 ? 43.407 50.119 130.689 1.00 28.01 ? ? ? ? ? ? 198 ASN A C 1 +ATOM 1532 O O . ASN A 1 199 ? 42.656 51.059 131.045 1.00 28.01 ? ? ? ? ? ? 198 ASN A O 1 +ATOM 1533 C CB . ASN A 1 199 ? 45.618 50.152 131.811 1.00 28.51 ? ? ? ? ? ? 198 ASN A CB 1 +ATOM 1534 C CG . ASN A 1 199 ? 46.473 49.590 132.897 1.00 27.15 ? ? ? ? ? ? 198 ASN A CG 1 +ATOM 1535 O OD1 . ASN A 1 199 ? 45.977 49.337 133.991 1.00 29.01 ? ? ? ? ? ? 198 ASN A OD1 1 +ATOM 1536 N ND2 . ASN A 1 199 ? 47.769 49.363 132.607 1.00 28.59 ? ? ? ? ? ? 198 ASN A ND2 1 +ATOM 1537 N N . GLU A 1 200 ? 43.477 49.654 129.445 1.00 28.78 ? ? ? ? ? ? 199 GLU A N 1 +ATOM 1538 C CA . GLU A 1 200 ? 42.636 50.161 128.367 1.00 31.35 ? ? ? ? ? ? 199 GLU A CA 1 +ATOM 1539 C C . GLU A 1 200 ? 41.245 49.579 128.462 1.00 30.09 ? ? ? ? ? ? 199 GLU A C 1 +ATOM 1540 O O . GLU A 1 200 ? 40.335 50.066 127.787 1.00 30.03 ? ? ? ? ? ? 199 GLU A O 1 +ATOM 1541 C CB . GLU A 1 200 ? 43.228 49.822 126.985 1.00 32.15 ? ? ? ? ? ? 199 GLU A CB 1 +ATOM 1542 C CG . GLU A 1 200 ? 44.609 50.482 126.701 1.00 37.31 ? ? ? ? ? ? 199 GLU A CG 1 +ATOM 1543 C CD . GLU A 1 200 ? 45.541 49.625 125.806 1.00 40.42 ? ? ? ? ? ? 199 GLU A CD 1 +ATOM 1544 O OE1 . GLU A 1 200 ? 45.041 48.815 124.971 1.00 48.32 ? ? ? ? ? ? 199 GLU A OE1 1 +ATOM 1545 O OE2 . GLU A 1 200 ? 46.790 49.783 125.933 1.00 56.09 ? ? ? ? ? ? 199 GLU A OE2 1 +ATOM 1546 N N . LYS A 1 201 ? 41.091 48.523 129.258 1.00 30.01 ? ? ? ? ? ? 200 LYS A N 1 +ATOM 1547 C CA . LYS A 1 201 ? 39.783 47.895 129.548 1.00 29.88 ? ? ? ? ? ? 200 LYS A CA 1 +ATOM 1548 C C . LYS A 1 201 ? 39.215 47.113 128.371 1.00 27.98 ? ? ? ? ? ? 200 LYS A C 1 +ATOM 1549 O O . LYS A 1 201 ? 37.989 47.099 128.164 1.00 28.10 ? ? ? ? ? ? 200 LYS A O 1 +ATOM 1550 C CB . LYS A 1 201 ? 38.763 48.920 130.043 1.00 31.49 ? ? ? ? ? ? 200 LYS A CB 1 +ATOM 1551 C CG . LYS A 1 201 ? 39.227 49.662 131.278 1.00 36.54 ? ? ? ? ? ? 200 LYS A CG 1 +ATOM 1552 C CD . LYS A 1 201 ? 38.183 50.630 131.786 1.00 40.96 ? ? ? ? ? ? 200 LYS A CD 1 +ATOM 1553 C CE . LYS A 1 201 ? 38.721 51.381 133.012 1.00 49.89 ? ? ? ? ? ? 200 LYS A CE 1 +ATOM 1554 N NZ . LYS A 1 201 ? 37.632 52.023 133.838 1.00 54.96 ? ? ? ? ? ? 200 LYS A NZ 1 +ATOM 1555 N N . VAL A 1 202 ? 40.113 46.481 127.608 1.00 25.20 ? ? ? ? ? ? 201 VAL A N 1 +ATOM 1556 C CA . VAL A 1 202 ? 39.767 45.471 126.611 1.00 24.25 ? ? ? ? ? ? 201 VAL A CA 1 +ATOM 1557 C C . VAL A 1 202 ? 39.111 44.286 127.339 1.00 23.99 ? ? ? ? ? ? 201 VAL A C 1 +ATOM 1558 O O . VAL A 1 202 ? 38.131 43.704 126.874 1.00 23.02 ? ? ? ? ? ? 201 VAL A O 1 +ATOM 1559 C CB . VAL A 1 202 ? 41.067 45.040 125.810 1.00 25.81 ? ? ? ? ? ? 201 VAL A CB 1 +ATOM 1560 C CG1 . VAL A 1 202 ? 40.805 43.881 124.812 1.00 22.75 ? ? ? ? ? ? 201 VAL A CG1 1 +ATOM 1561 C CG2 . VAL A 1 202 ? 41.714 46.284 125.077 1.00 22.22 ? ? ? ? ? ? 201 VAL A CG2 1 +ATOM 1562 N N . ALA A 1 203 ? 39.670 43.937 128.493 1.00 22.68 ? ? ? ? ? ? 202 ALA A N 1 +ATOM 1563 C CA . ALA A 1 203 ? 39.131 42.913 129.364 1.00 21.11 ? ? ? ? ? ? 202 ALA A CA 1 +ATOM 1564 C C . ALA A 1 203 ? 39.184 43.444 130.805 1.00 22.05 ? ? ? ? ? ? 202 ALA A C 1 +ATOM 1565 O O . ALA A 1 203 ? 39.895 44.418 131.086 1.00 22.33 ? ? ? ? ? ? 202 ALA A O 1 +ATOM 1566 C CB . ALA A 1 203 ? 39.967 41.649 129.230 1.00 21.37 ? ? ? ? ? ? 202 ALA A CB 1 +ATOM 1567 N N . TRP A 1 204 ? 38.473 42.768 131.714 1.00 22.34 ? ? ? ? ? ? 203 TRP A N 1 +ATOM 1568 C CA . TRP A 1 204 ? 38.445 43.102 133.151 1.00 20.85 ? ? ? ? ? ? 203 TRP A CA 1 +ATOM 1569 C C . TRP A 1 204 ? 39.141 42.051 134.011 1.00 20.70 ? ? ? ? ? ? 203 TRP A C 1 +ATOM 1570 O O . TRP A 1 204 ? 38.865 40.840 133.879 1.00 19.05 ? ? ? ? ? ? 203 TRP A O 1 +ATOM 1571 C CB . TRP A 1 204 ? 36.985 43.282 133.615 1.00 21.17 ? ? ? ? ? ? 203 TRP A CB 1 +ATOM 1572 C CG . TRP A 1 204 ? 36.831 43.697 135.053 1.00 21.30 ? ? ? ? ? ? 203 TRP A CG 1 +ATOM 1573 C CD1 . TRP A 1 204 ? 36.726 44.982 135.539 1.00 22.78 ? ? ? ? ? ? 203 TRP A CD1 1 +ATOM 1574 C CD2 . TRP A 1 204 ? 36.729 42.829 136.193 1.00 19.00 ? ? ? ? ? ? 203 TRP A CD2 1 +ATOM 1575 N NE1 . TRP A 1 204 ? 36.591 44.954 136.915 1.00 22.89 ? ? ? ? ? ? 203 TRP A NE1 1 +ATOM 1576 C CE2 . TRP A 1 204 ? 36.583 43.651 137.339 1.00 24.72 ? ? ? ? ? ? 203 TRP A CE2 1 +ATOM 1577 C CE3 . TRP A 1 204 ? 36.734 41.437 136.357 1.00 21.79 ? ? ? ? ? ? 203 TRP A CE3 1 +ATOM 1578 C CZ2 . TRP A 1 204 ? 36.442 43.118 138.637 1.00 25.15 ? ? ? ? ? ? 203 TRP A CZ2 1 +ATOM 1579 C CZ3 . TRP A 1 204 ? 36.609 40.909 137.659 1.00 22.96 ? ? ? ? ? ? 203 TRP A CZ3 1 +ATOM 1580 C CH2 . TRP A 1 204 ? 36.473 41.746 138.769 1.00 22.54 ? ? ? ? ? ? 203 TRP A CH2 1 +ATOM 1581 N N . VAL A 1 205 ? 40.043 42.532 134.880 1.00 19.87 ? ? ? ? ? ? 204 VAL A N 1 +ATOM 1582 C CA . VAL A 1 205 ? 40.679 41.784 135.965 1.00 20.41 ? ? ? ? ? ? 204 VAL A CA 1 +ATOM 1583 C C . VAL A 1 205 ? 40.506 42.683 137.212 1.00 21.76 ? ? ? ? ? ? 204 VAL A C 1 +ATOM 1584 O O . VAL A 1 205 ? 40.562 43.902 137.101 1.00 21.78 ? ? ? ? ? ? 204 VAL A O 1 +ATOM 1585 C CB . VAL A 1 205 ? 42.226 41.571 135.717 1.00 23.29 ? ? ? ? ? ? 204 VAL A CB 1 +ATOM 1586 C CG1 . VAL A 1 205 ? 42.897 40.987 136.945 1.00 24.02 ? ? ? ? ? ? 204 VAL A CG1 1 +ATOM 1587 C CG2 . VAL A 1 205 ? 42.507 40.664 134.490 1.00 22.41 ? ? ? ? ? ? 204 VAL A CG2 1 +ATOM 1588 N N . PRO A 1 206 ? 40.278 42.098 138.403 1.00 21.89 ? ? ? ? ? ? 205 PRO A N 1 +ATOM 1589 C CA . PRO A 1 206 ? 40.222 42.973 139.614 1.00 22.42 ? ? ? ? ? ? 205 PRO A CA 1 +ATOM 1590 C C . PRO A 1 206 ? 41.580 43.607 139.957 1.00 23.01 ? ? ? ? ? ? 205 PRO A C 1 +ATOM 1591 O O . PRO A 1 206 ? 42.607 42.970 139.770 1.00 23.62 ? ? ? ? ? ? 205 PRO A O 1 +ATOM 1592 C CB . PRO A 1 206 ? 39.794 42.012 140.719 1.00 22.00 ? ? ? ? ? ? 205 PRO A CB 1 +ATOM 1593 C CG . PRO A 1 206 ? 40.230 40.617 140.211 1.00 21.86 ? ? ? ? ? ? 205 PRO A CG 1 +ATOM 1594 C CD . PRO A 1 206 ? 40.121 40.661 138.726 1.00 22.27 ? ? ? ? ? ? 205 PRO A CD 1 +ATOM 1595 N N . ARG A 1 207 ? 41.571 44.875 140.386 1.00 23.82 ? ? ? ? ? ? 206 ARG A N 1 +ATOM 1596 C CA . ARG A 1 207 ? 42.744 45.532 140.950 1.00 25.51 ? ? ? ? ? ? 206 ARG A CA 1 +ATOM 1597 C C . ARG A 1 207 ? 43.215 44.719 142.151 1.00 22.80 ? ? ? ? ? ? 206 ARG A C 1 +ATOM 1598 O O . ARG A 1 207 ? 42.384 44.259 142.956 1.00 22.11 ? ? ? ? ? ? 206 ARG A O 1 +ATOM 1599 C CB . ARG A 1 207 ? 42.384 46.959 141.414 1.00 27.06 ? ? ? ? ? ? 206 ARG A CB 1 +ATOM 1600 C CG . ARG A 1 207 ? 43.581 47.734 141.980 1.00 32.22 ? ? ? ? ? ? 206 ARG A CG 1 +ATOM 1601 C CD . ARG A 1 207 ? 43.220 49.090 142.620 1.00 34.30 ? ? ? ? ? ? 206 ARG A CD 1 +ATOM 1602 N NE . ARG A 1 207 ? 42.369 49.949 141.773 1.00 44.78 ? ? ? ? ? ? 206 ARG A NE 1 +ATOM 1603 C CZ . ARG A 1 207 ? 42.804 50.792 140.829 1.00 48.15 ? ? ? ? ? ? 206 ARG A CZ 1 +ATOM 1604 N NH1 . ARG A 1 207 ? 44.102 50.909 140.537 1.00 44.43 ? ? ? ? ? ? 206 ARG A NH1 1 +ATOM 1605 N NH2 . ARG A 1 207 ? 41.911 51.525 140.165 1.00 48.52 ? ? ? ? ? ? 206 ARG A NH2 1 +ATOM 1606 N N . HIS A 1 208 ? 44.523 44.506 142.260 1.00 22.78 ? ? ? ? ? ? 207 HIS A N 1 +ATOM 1607 C CA . HIS A 1 208 ? 45.113 43.904 143.458 1.00 22.39 ? ? ? ? ? ? 207 HIS A CA 1 +ATOM 1608 C C . HIS A 1 208 ? 45.553 45.025 144.371 1.00 24.08 ? ? ? ? ? ? 207 HIS A C 1 +ATOM 1609 O O . HIS A 1 208 ? 46.479 45.758 144.020 1.00 24.06 ? ? ? ? ? ? 207 HIS A O 1 +ATOM 1610 C CB . HIS A 1 208 ? 46.296 43.038 143.077 1.00 22.65 ? ? ? ? ? ? 207 HIS A CB 1 +ATOM 1611 C CG . HIS A 1 208 ? 45.910 41.792 142.354 1.00 22.88 ? ? ? ? ? ? 207 HIS A CG 1 +ATOM 1612 N ND1 . HIS A 1 208 ? 46.551 40.590 142.553 1.00 25.83 ? ? ? ? ? ? 207 HIS A ND1 1 +ATOM 1613 C CD2 . HIS A 1 208 ? 44.900 41.542 141.478 1.00 24.04 ? ? ? ? ? ? 207 HIS A CD2 1 +ATOM 1614 C CE1 . HIS A 1 208 ? 45.982 39.661 141.799 1.00 23.66 ? ? ? ? ? ? 207 HIS A CE1 1 +ATOM 1615 N NE2 . HIS A 1 208 ? 44.973 40.209 141.146 1.00 24.86 ? ? ? ? ? ? 207 HIS A NE2 1 +ATOM 1616 N N . TRP A 1 209 ? 44.896 45.168 145.532 1.00 24.53 ? ? ? ? ? ? 208 TRP A N 1 +ATOM 1617 C CA . TRP A 1 209 ? 45.169 46.286 146.471 1.00 24.53 ? ? ? ? ? ? 208 TRP A CA 1 +ATOM 1618 C C . TRP A 1 209 ? 46.600 46.291 147.003 1.00 25.61 ? ? ? ? ? ? 208 TRP A C 1 +ATOM 1619 O O . TRP A 1 209 ? 47.185 47.370 147.239 1.00 25.58 ? ? ? ? ? ? 208 TRP A O 1 +ATOM 1620 C CB . TRP A 1 209 ? 44.221 46.261 147.669 1.00 24.42 ? ? ? ? ? ? 208 TRP A CB 1 +ATOM 1621 C CG . TRP A 1 209 ? 43.269 47.379 147.715 1.00 25.60 ? ? ? ? ? ? 208 TRP A CG 1 +ATOM 1622 C CD1 . TRP A 1 209 ? 43.234 48.392 148.633 1.00 23.08 ? ? ? ? ? ? 208 TRP A CD1 1 +ATOM 1623 C CD2 . TRP A 1 209 ? 42.186 47.612 146.815 1.00 25.63 ? ? ? ? ? ? 208 TRP A CD2 1 +ATOM 1624 N NE1 . TRP A 1 209 ? 42.192 49.240 148.360 1.00 24.37 ? ? ? ? ? ? 208 TRP A NE1 1 +ATOM 1625 C CE2 . TRP A 1 209 ? 41.529 48.788 147.250 1.00 25.30 ? ? ? ? ? ? 208 TRP A CE2 1 +ATOM 1626 C CE3 . TRP A 1 209 ? 41.704 46.942 145.678 1.00 25.59 ? ? ? ? ? ? 208 TRP A CE3 1 +ATOM 1627 C CZ2 . TRP A 1 209 ? 40.407 49.316 146.585 1.00 26.31 ? ? ? ? ? ? 208 TRP A CZ2 1 +ATOM 1628 C CZ3 . TRP A 1 209 ? 40.597 47.462 145.028 1.00 27.18 ? ? ? ? ? ? 208 TRP A CZ3 1 +ATOM 1629 C CH2 . TRP A 1 209 ? 39.956 48.638 145.483 1.00 29.10 ? ? ? ? ? ? 208 TRP A CH2 1 +ATOM 1630 N N . ASP A 1 210 ? 47.132 45.101 147.241 1.00 25.62 ? ? ? ? ? ? 209 ASP A N 1 +ATOM 1631 C CA . ASP A 1 210 ? 48.488 44.977 147.786 1.00 28.19 ? ? ? ? ? ? 209 ASP A CA 1 +ATOM 1632 C C . ASP A 1 210 ? 49.570 45.458 146.804 1.00 29.41 ? ? ? ? ? ? 209 ASP A C 1 +ATOM 1633 O O . ASP A 1 210 ? 50.637 45.896 147.229 1.00 29.70 ? ? ? ? ? ? 209 ASP A O 1 +ATOM 1634 C CB . ASP A 1 210 ? 48.767 43.545 148.229 1.00 29.53 ? ? ? ? ? ? 209 ASP A CB 1 +ATOM 1635 C CG . ASP A 1 210 ? 48.709 42.544 147.076 1.00 31.71 ? ? ? ? ? ? 209 ASP A CG 1 +ATOM 1636 O OD1 . ASP A 1 210 ? 47.848 42.686 146.178 1.00 31.39 ? ? ? ? ? ? 209 ASP A OD1 1 +ATOM 1637 O OD2 . ASP A 1 210 ? 49.517 41.591 147.093 1.00 37.34 ? ? ? ? ? ? 209 ASP A OD2 1 +ATOM 1638 N N . LYS A 1 211 ? 49.278 45.401 145.495 1.00 30.11 ? ? ? ? ? ? 210 LYS A N 1 +ATOM 1639 C CA . LYS A 1 211 ? 50.188 45.906 144.443 1.00 30.04 ? ? ? ? ? ? 210 LYS A CA 1 +ATOM 1640 C C . LYS A 1 211 ? 49.810 47.314 143.950 1.00 29.95 ? ? ? ? ? ? 210 LYS A C 1 +ATOM 1641 O O . LYS A 1 211 ? 50.673 48.054 143.493 1.00 31.61 ? ? ? ? ? ? 210 LYS A O 1 +ATOM 1642 C CB . LYS A 1 211 ? 50.170 44.956 143.243 1.00 30.67 ? ? ? ? ? ? 210 LYS A CB 1 +ATOM 1643 C CG . LYS A 1 211 ? 50.293 43.467 143.552 1.00 33.22 ? ? ? ? ? ? 210 LYS A CG 1 +ATOM 1644 C CD . LYS A 1 211 ? 51.742 43.005 143.731 1.00 40.78 ? ? ? ? ? ? 210 LYS A CD 1 +ATOM 1645 C CE . LYS A 1 211 ? 51.866 41.515 143.371 1.00 46.92 ? ? ? ? ? ? 210 LYS A CE 1 +ATOM 1646 N NZ . LYS A 1 211 ? 52.865 40.758 144.188 1.00 50.70 ? ? ? ? ? ? 210 LYS A NZ 1 +ATOM 1647 N N . ALA A 1 212 ? 48.518 47.655 144.004 1.00 29.22 ? ? ? ? ? ? 211 ALA A N 1 +ATOM 1648 C CA . ALA A 1 212 ? 47.968 48.861 143.390 1.00 29.09 ? ? ? ? ? ? 211 ALA A CA 1 +ATOM 1649 C C . ALA A 1 212 ? 47.819 50.060 144.324 1.00 30.54 ? ? ? ? ? ? 211 ALA A C 1 +ATOM 1650 O O . ALA A 1 212 ? 47.645 51.189 143.845 1.00 32.19 ? ? ? ? ? ? 211 ALA A O 1 +ATOM 1651 C CB . ALA A 1 212 ? 46.596 48.573 142.821 1.00 30.85 ? ? ? ? ? ? 211 ALA A CB 1 +ATOM 1652 N N . THR A 1 213 ? 47.815 49.841 145.630 1.00 30.31 ? ? ? ? ? ? 212 THR A N 1 +ATOM 1653 C CA . THR A 1 213 ? 47.518 50.934 146.576 1.00 32.50 ? ? ? ? ? ? 212 THR A CA 1 +ATOM 1654 C C . THR A 1 213 ? 48.576 50.943 147.679 1.00 32.36 ? ? ? ? ? ? 212 THR A C 1 +ATOM 1655 O O . THR A 1 213 ? 49.229 49.925 147.913 1.00 35.32 ? ? ? ? ? ? 212 THR A O 1 +ATOM 1656 C CB . THR A 1 213 ? 46.100 50.758 147.215 1.00 31.06 ? ? ? ? ? ? 212 THR A CB 1 +ATOM 1657 O OG1 . THR A 1 213 ? 46.123 49.635 148.107 1.00 37.40 ? ? ? ? ? ? 212 THR A OG1 1 +ATOM 1658 C CG2 . THR A 1 213 ? 45.016 50.531 146.149 1.00 29.20 ? ? ? ? ? ? 212 THR A CG2 1 +ATOM 1659 N N . VAL A 1 214 ? 48.748 52.082 148.342 1.00 32.85 ? ? ? ? ? ? 213 VAL A N 1 +ATOM 1660 C CA . VAL A 1 214 ? 49.675 52.199 149.484 1.00 33.29 ? ? ? ? ? ? 213 VAL A CA 1 +ATOM 1661 C C . VAL A 1 214 ? 48.910 52.297 150.804 1.00 31.44 ? ? ? ? ? ? 213 VAL A C 1 +ATOM 1662 O O . VAL A 1 214 ? 49.252 51.623 151.781 1.00 31.82 ? ? ? ? ? ? 213 VAL A O 1 +ATOM 1663 C CB . VAL A 1 214 ? 50.596 53.456 149.374 1.00 35.06 ? ? ? ? ? ? 213 VAL A CB 1 +ATOM 1664 C CG1 . VAL A 1 214 ? 51.652 53.415 150.469 1.00 36.83 ? ? ? ? ? ? 213 VAL A CG1 1 +ATOM 1665 C CG2 . VAL A 1 214 ? 51.247 53.567 147.963 1.00 38.38 ? ? ? ? ? ? 213 VAL A CG2 1 +ATOM 1666 N N . ASP A 1 215 ? 47.891 53.155 150.833 1.00 29.08 ? ? ? ? ? ? 214 ASP A N 1 +ATOM 1667 C CA . ASP A 1 215 ? 47.124 53.424 152.072 1.00 29.29 ? ? ? ? ? ? 214 ASP A CA 1 +ATOM 1668 C C . ASP A 1 215 ? 45.699 52.832 152.059 1.00 27.62 ? ? ? ? ? ? 214 ASP A C 1 +ATOM 1669 O O . ASP A 1 215 ? 44.888 53.132 152.957 1.00 26.33 ? ? ? ? ? ? 214 ASP A O 1 +ATOM 1670 C CB . ASP A 1 215 ? 47.077 54.938 152.352 1.00 29.87 ? ? ? ? ? ? 214 ASP A CB 1 +ATOM 1671 C CG . ASP A 1 215 ? 46.506 55.745 151.189 1.00 33.35 ? ? ? ? ? ? 214 ASP A CG 1 +ATOM 1672 O OD1 . ASP A 1 215 ? 45.457 55.359 150.620 1.00 36.16 ? ? ? ? ? ? 214 ASP A OD1 1 +ATOM 1673 O OD2 . ASP A 1 215 ? 47.088 56.787 150.863 1.00 34.16 ? ? ? ? ? ? 214 ASP A OD2 1 +ATOM 1674 N N . SER A 1 216 ? 45.414 52.026 151.030 1.00 25.98 ? ? ? ? ? ? 215 SER A N 1 +ATOM 1675 C CA . SER A 1 216 ? 44.081 51.432 150.749 1.00 25.76 ? ? ? ? ? ? 215 SER A CA 1 +ATOM 1676 C C . SER A 1 216 ? 43.148 52.331 149.916 1.00 25.51 ? ? ? ? ? ? 215 SER A C 1 +ATOM 1677 O O . SER A 1 216 ? 42.150 51.842 149.401 1.00 27.31 ? ? ? ? ? ? 215 SER A O 1 +ATOM 1678 C CB . SER A 1 216 ? 43.339 50.939 152.007 1.00 24.98 ? ? ? ? ? ? 215 SER A CB 1 +ATOM 1679 O OG . SER A 1 216 ? 42.523 51.962 152.581 1.00 24.83 ? ? ? ? ? ? 215 SER A OG 1 +ATOM 1680 N N . GLY A 1 217 ? 43.468 53.612 149.780 1.00 23.84 ? ? ? ? ? ? 216 GLY A N 1 +ATOM 1681 C CA . GLY A 1 217 ? 42.706 54.529 148.974 1.00 22.79 ? ? ? ? ? ? 216 GLY A CA 1 +ATOM 1682 C C . GLY A 1 217 ? 43.082 54.448 147.516 1.00 22.78 ? ? ? ? ? ? 216 GLY A C 1 +ATOM 1683 O O . GLY A 1 217 ? 44.190 54.034 147.170 1.00 22.61 ? ? ? ? ? ? 216 GLY A O 1 +ATOM 1684 N N . VAL A 1 218 ? 42.146 54.855 146.656 1.00 23.98 ? ? ? ? ? ? 217 VAL A N 1 +ATOM 1685 C CA . VAL A 1 218 ? 42.399 55.027 145.210 1.00 24.26 ? ? ? ? ? ? 217 VAL A CA 1 +ATOM 1686 C C . VAL A 1 218 ? 41.847 56.360 144.750 1.00 24.56 ? ? ? ? ? ? 217 VAL A C 1 +ATOM 1687 O O . VAL A 1 218 ? 40.662 56.466 144.384 1.00 24.50 ? ? ? ? ? ? 217 VAL A O 1 +ATOM 1688 C CB . VAL A 1 218 ? 41.765 53.917 144.340 1.00 25.29 ? ? ? ? ? ? 217 VAL A CB 1 +ATOM 1689 C CG1 . VAL A 1 218 ? 42.252 54.077 142.841 1.00 22.26 ? ? ? ? ? ? 217 VAL A CG1 1 +ATOM 1690 C CG2 . VAL A 1 218 ? 42.066 52.560 144.900 1.00 22.41 ? ? ? ? ? ? 217 VAL A CG2 1 +ATOM 1691 N N . GLY A 1 219 ? 42.724 57.368 144.771 1.00 25.38 ? ? ? ? ? ? 218 GLY A N 1 +ATOM 1692 C CA . GLY A 1 219 ? 42.396 58.736 144.439 1.00 25.85 ? ? ? ? ? ? 218 GLY A CA 1 +ATOM 1693 C C . GLY A 1 219 ? 42.748 59.678 145.576 1.00 26.64 ? ? ? ? ? ? 218 GLY A C 1 +ATOM 1694 O O . GLY A 1 219 ? 42.606 59.324 146.751 1.00 26.57 ? ? ? ? ? ? 218 GLY A O 1 +ATOM 1695 N N . ASN A 1 220 ? 43.202 60.884 145.232 1.00 26.95 ? ? ? ? ? ? 219 ASN A N 1 +ATOM 1696 C CA . ASN A 1 220 ? 43.571 61.864 146.240 1.00 26.67 ? ? ? ? ? ? 219 ASN A CA 1 +ATOM 1697 C C . ASN A 1 220 ? 42.307 62.570 146.747 1.00 24.39 ? ? ? ? ? ? 219 ASN A C 1 +ATOM 1698 O O . ASN A 1 220 ? 41.546 63.155 145.941 1.00 25.36 ? ? ? ? ? ? 219 ASN A O 1 +ATOM 1699 C CB . ASN A 1 220 ? 44.639 62.858 145.702 1.00 28.41 ? ? ? ? ? ? 219 ASN A CB 1 +ATOM 1700 C CG . ASN A 1 220 ? 45.347 63.620 146.822 1.00 30.76 ? ? ? ? ? ? 219 ASN A CG 1 +ATOM 1701 O OD1 . ASN A 1 220 ? 44.697 64.031 147.775 1.00 33.82 ? ? ? ? ? ? 219 ASN A OD1 1 +ATOM 1702 N ND2 . ASN A 1 220 ? 46.695 63.784 146.726 1.00 28.42 ? ? ? ? ? ? 219 ASN A ND2 1 +ATOM 1703 N N . PRO A 1 221 ? 42.037 62.461 148.071 1.00 23.38 ? ? ? ? ? ? 220 PRO A N 1 +ATOM 1704 C CA . PRO A 1 221 ? 40.850 63.047 148.688 1.00 24.85 ? ? ? ? ? ? 220 PRO A CA 1 +ATOM 1705 C C . PRO A 1 221 ? 41.023 64.466 149.210 1.00 26.07 ? ? ? ? ? ? 220 PRO A C 1 +ATOM 1706 O O . PRO A 1 221 ? 40.045 65.048 149.708 1.00 24.63 ? ? ? ? ? ? 220 PRO A O 1 +ATOM 1707 C CB . PRO A 1 221 ? 40.622 62.106 149.870 1.00 24.96 ? ? ? ? ? ? 220 PRO A CB 1 +ATOM 1708 C CG . PRO A 1 221 ? 41.999 61.802 150.309 1.00 21.62 ? ? ? ? ? ? 220 PRO A CG 1 +ATOM 1709 C CD . PRO A 1 221 ? 42.793 61.670 149.060 1.00 22.21 ? ? ? ? ? ? 220 PRO A CD 1 +ATOM 1710 N N . LYS A 1 222 ? 42.240 65.023 149.094 1.00 27.72 ? ? ? ? ? ? 221 LYS A N 1 +ATOM 1711 C CA . LYS A 1 222 ? 42.604 66.278 149.782 1.00 29.72 ? ? ? ? ? ? 221 LYS A CA 1 +ATOM 1712 C C . LYS A 1 222 ? 41.721 67.482 149.454 1.00 27.01 ? ? ? ? ? ? 221 LYS A C 1 +ATOM 1713 O O . LYS A 1 222 ? 41.569 68.358 150.290 1.00 27.27 ? ? ? ? ? ? 221 LYS A O 1 +ATOM 1714 C CB . LYS A 1 222 ? 44.077 66.652 149.523 1.00 32.27 ? ? ? ? ? ? 221 LYS A CB 1 +ATOM 1715 C CG . LYS A 1 222 ? 45.083 66.159 150.588 1.00 40.55 ? ? ? ? ? ? 221 LYS A CG 1 +ATOM 1716 C CD . LYS A 1 222 ? 44.877 64.700 151.052 1.00 49.25 ? ? ? ? ? ? 221 LYS A CD 1 +ATOM 1717 C CE . LYS A 1 222 ? 46.215 64.077 151.552 1.00 49.90 ? ? ? ? ? ? 221 LYS A CE 1 +ATOM 1718 N NZ . LYS A 1 222 ? 46.856 64.822 152.698 1.00 49.99 ? ? ? ? ? ? 221 LYS A NZ 1 +ATOM 1719 N N . LYS A 1 223 ? 41.127 67.549 148.260 1.00 27.07 ? ? ? ? ? ? 222 LYS A N 1 +ATOM 1720 C CA . LYS A 1 223 ? 40.254 68.697 147.949 1.00 26.46 ? ? ? ? ? ? 222 LYS A CA 1 +ATOM 1721 C C . LYS A 1 223 ? 38.793 68.544 148.381 1.00 25.60 ? ? ? ? ? ? 222 LYS A C 1 +ATOM 1722 O O . LYS A 1 223 ? 37.937 69.410 148.044 1.00 25.09 ? ? ? ? ? ? 222 LYS A O 1 +ATOM 1723 C CB . LYS A 1 223 ? 40.357 69.102 146.477 1.00 29.28 ? ? ? ? ? ? 222 LYS A CB 1 +ATOM 1724 C CG . LYS A 1 223 ? 41.796 69.339 146.026 1.00 34.08 ? ? ? ? ? ? 222 LYS A CG 1 +ATOM 1725 C CD . LYS A 1 223 ? 41.847 70.232 144.806 1.00 45.73 ? ? ? ? ? ? 222 LYS A CD 1 +ATOM 1726 C CE . LYS A 1 223 ? 43.261 70.303 144.181 1.00 48.61 ? ? ? ? ? ? 222 LYS A CE 1 +ATOM 1727 N NZ . LYS A 1 223 ? 43.293 71.298 143.072 1.00 50.66 ? ? ? ? ? ? 222 LYS A NZ 1 +ATOM 1728 N N . ALA A 1 224 ? 38.514 67.502 149.175 1.00 24.70 ? ? ? ? ? ? 223 ALA A N 1 +ATOM 1729 C CA . ALA A 1 224 ? 37.173 67.184 149.617 1.00 23.11 ? ? ? ? ? ? 223 ALA A CA 1 +ATOM 1730 C C . ALA A 1 224 ? 36.692 68.262 150.557 1.00 23.39 ? ? ? ? ? ? 223 ALA A C 1 +ATOM 1731 O O . ALA A 1 224 ? 37.461 68.695 151.430 1.00 22.73 ? ? ? ? ? ? 223 ALA A O 1 +ATOM 1732 C CB . ALA A 1 224 ? 37.162 65.803 150.354 1.00 23.25 ? ? ? ? ? ? 223 ALA A CB 1 +ATOM 1733 N N . THR A 1 225 ? 35.408 68.642 150.416 1.00 22.22 ? ? ? ? ? ? 224 THR A N 1 +ATOM 1734 C CA . THR A 1 225 ? 34.742 69.516 151.364 1.00 22.35 ? ? ? ? ? ? 224 THR A CA 1 +ATOM 1735 C C . THR A 1 225 ? 33.310 69.008 151.590 1.00 22.03 ? ? ? ? ? ? 224 THR A C 1 +ATOM 1736 O O . THR A 1 225 ? 32.755 68.304 150.765 1.00 21.88 ? ? ? ? ? ? 224 THR A O 1 +ATOM 1737 C CB . THR A 1 225 ? 34.648 71.006 150.860 1.00 24.49 ? ? ? ? ? ? 224 THR A CB 1 +ATOM 1738 O OG1 . THR A 1 225 ? 33.753 71.085 149.745 1.00 23.41 ? ? ? ? ? ? 224 THR A OG1 1 +ATOM 1739 C CG2 . THR A 1 225 ? 36.043 71.592 150.444 1.00 21.92 ? ? ? ? ? ? 224 THR A CG2 1 +ATOM 1740 N N . ALA A 1 226 ? 32.740 69.354 152.736 1.00 21.98 ? ? ? ? ? ? 225 ALA A N 1 +ATOM 1741 C CA . ALA A 1 226 ? 31.341 69.084 153.067 1.00 21.69 ? ? ? ? ? ? 225 ALA A CA 1 +ATOM 1742 C C . ALA A 1 226 ? 30.428 69.716 152.053 1.00 24.13 ? ? ? ? ? ? 225 ALA A C 1 +ATOM 1743 O O . ALA A 1 226 ? 29.402 69.140 151.677 1.00 24.25 ? ? ? ? ? ? 225 ALA A O 1 +ATOM 1744 C CB . ALA A 1 226 ? 31.039 69.663 154.420 1.00 20.87 ? ? ? ? ? ? 225 ALA A CB 1 +ATOM 1745 N N . GLU A 1 227 ? 30.769 70.935 151.639 1.00 25.91 ? ? ? ? ? ? 226 GLU A N 1 +ATOM 1746 C CA . GLU A 1 227 ? 29.918 71.676 150.700 1.00 27.01 ? ? ? ? ? ? 226 GLU A CA 1 +ATOM 1747 C C . GLU A 1 227 ? 29.833 70.981 149.316 1.00 24.30 ? ? ? ? ? ? 226 GLU A C 1 +ATOM 1748 O O . GLU A 1 227 ? 28.763 70.915 148.695 1.00 23.74 ? ? ? ? ? ? 226 GLU A O 1 +ATOM 1749 C CB . GLU A 1 227 ? 30.402 73.131 150.582 1.00 28.21 ? ? ? ? ? ? 226 GLU A CB 1 +ATOM 1750 C CG . GLU A 1 227 ? 30.313 73.966 151.905 1.00 43.01 ? ? ? ? ? ? 226 GLU A CG 1 +ATOM 1751 C CD . GLU A 1 227 ? 31.188 73.436 153.117 1.00 53.79 ? ? ? ? ? ? 226 GLU A CD 1 +ATOM 1752 O OE1 . GLU A 1 227 ? 32.365 72.999 152.914 1.00 51.44 ? ? ? ? ? ? 226 GLU A OE1 1 +ATOM 1753 O OE2 . GLU A 1 227 ? 30.689 73.487 154.284 1.00 49.77 ? ? ? ? ? ? 226 GLU A OE2 1 +ATOM 1754 N N . LYS A 1 228 ? 30.957 70.459 148.835 1.00 23.26 ? ? ? ? ? ? 227 LYS A N 1 +ATOM 1755 C CA . LYS A 1 228 ? 30.956 69.675 147.600 1.00 23.86 ? ? ? ? ? ? 227 LYS A CA 1 +ATOM 1756 C C . LYS A 1 228 ? 30.060 68.435 147.699 1.00 23.55 ? ? ? ? ? ? 227 LYS A C 1 +ATOM 1757 O O . LYS A 1 228 ? 29.395 68.052 146.725 1.00 24.19 ? ? ? ? ? ? 227 LYS A O 1 +ATOM 1758 C CB . LYS A 1 228 ? 32.364 69.221 147.281 1.00 25.26 ? ? ? ? ? ? 227 LYS A CB 1 +ATOM 1759 C CG . LYS A 1 228 ? 33.206 70.236 146.597 1.00 26.94 ? ? ? ? ? ? 227 LYS A CG 1 +ATOM 1760 C CD . LYS A 1 228 ? 34.549 69.646 146.314 1.00 27.80 ? ? ? ? ? ? 227 LYS A CD 1 +ATOM 1761 C CE . LYS A 1 228 ? 35.472 70.664 145.694 1.00 26.34 ? ? ? ? ? ? 227 LYS A CE 1 +ATOM 1762 N NZ . LYS A 1 228 ? 36.821 70.089 145.540 1.00 26.13 ? ? ? ? ? ? 227 LYS A NZ 1 +ATOM 1763 N N . GLY A 1 229 ? 30.041 67.826 148.880 1.00 23.38 ? ? ? ? ? ? 228 GLY A N 1 +ATOM 1764 C CA . GLY A 1 229 ? 29.242 66.634 149.140 1.00 23.06 ? ? ? ? ? ? 228 GLY A CA 1 +ATOM 1765 C C . GLY A 1 229 ? 27.779 66.933 149.195 1.00 23.57 ? ? ? ? ? ? 228 GLY A C 1 +ATOM 1766 O O . GLY A 1 229 ? 26.968 66.189 148.674 1.00 23.71 ? ? ? ? ? ? 228 GLY A O 1 +ATOM 1767 N N . GLU A 1 230 ? 27.452 68.045 149.834 1.00 24.83 ? ? ? ? ? ? 229 GLU A N 1 +ATOM 1768 C CA . GLU A 1 230 ? 26.097 68.545 149.917 1.00 26.67 ? ? ? ? ? ? 229 GLU A CA 1 +ATOM 1769 C C . GLU A 1 230 ? 25.533 68.766 148.525 1.00 25.47 ? ? ? ? ? ? 229 GLU A C 1 +ATOM 1770 O O . GLU A 1 230 ? 24.422 68.309 148.210 1.00 25.08 ? ? ? ? ? ? 229 GLU A O 1 +ATOM 1771 C CB . GLU A 1 230 ? 26.086 69.859 150.738 1.00 24.26 ? ? ? ? ? ? 229 GLU A CB 1 +ATOM 1772 C CG . GLU A 1 230 ? 24.706 70.445 150.968 1.00 32.45 ? ? ? ? ? ? 229 GLU A CG 1 +ATOM 1773 C CD . GLU A 1 230 ? 24.716 71.716 151.878 1.00 36.27 ? ? ? ? ? ? 229 GLU A CD 1 +ATOM 1774 O OE1 . GLU A 1 230 ? 25.764 72.424 152.007 1.00 47.11 ? ? ? ? ? ? 229 GLU A OE1 1 +ATOM 1775 O OE2 . GLU A 1 230 ? 23.646 71.995 152.463 1.00 50.08 ? ? ? ? ? ? 229 GLU A OE2 1 +ATOM 1776 N N . ARG A 1 231 ? 26.310 69.462 147.692 1.00 25.15 ? ? ? ? ? ? 230 ARG A N 1 +ATOM 1777 C CA . ARG A 1 231 ? 25.903 69.787 146.322 1.00 25.82 ? ? ? ? ? ? 230 ARG A CA 1 +ATOM 1778 C C . ARG A 1 231 ? 25.695 68.543 145.459 1.00 24.67 ? ? ? ? ? ? 230 ARG A C 1 +ATOM 1779 O O . ARG A 1 231 ? 24.750 68.483 144.650 1.00 25.47 ? ? ? ? ? ? 230 ARG A O 1 +ATOM 1780 C CB . ARG A 1 231 ? 26.928 70.726 145.632 1.00 25.23 ? ? ? ? ? ? 230 ARG A CB 1 +ATOM 1781 C CG . ARG A 1 231 ? 26.837 72.184 146.088 1.00 30.98 ? ? ? ? ? ? 230 ARG A CG 1 +ATOM 1782 C CD . ARG A 1 231 ? 27.601 73.181 145.191 1.00 26.48 ? ? ? ? ? ? 230 ARG A CD 1 +ATOM 1783 N NE . ARG A 1 231 ? 29.041 73.174 145.415 1.00 29.77 ? ? ? ? ? ? 230 ARG A NE 1 +ATOM 1784 C CZ . ARG A 1 231 ? 29.927 72.532 144.652 1.00 32.55 ? ? ? ? ? ? 230 ARG A CZ 1 +ATOM 1785 N NH1 . ARG A 1 231 ? 29.560 71.818 143.565 1.00 34.38 ? ? ? ? ? ? 230 ARG A NH1 1 +ATOM 1786 N NH2 . ARG A 1 231 ? 31.214 72.606 144.977 1.00 40.28 ? ? ? ? ? ? 230 ARG A NH2 1 +ATOM 1787 N N . TYR A 1 232 ? 26.594 67.578 145.617 1.00 23.36 ? ? ? ? ? ? 231 TYR A N 1 +ATOM 1788 C CA . TYR A 1 232 ? 26.545 66.305 144.856 1.00 22.77 ? ? ? ? ? ? 231 TYR A CA 1 +ATOM 1789 C C . TYR A 1 232 ? 25.377 65.408 145.262 1.00 22.16 ? ? ? ? ? ? 231 TYR A C 1 +ATOM 1790 O O . TYR A 1 232 ? 24.709 64.851 144.396 1.00 25.02 ? ? ? ? ? ? 231 TYR A O 1 +ATOM 1791 C CB . TYR A 1 232 ? 27.884 65.568 144.975 1.00 23.35 ? ? ? ? ? ? 231 TYR A CB 1 +ATOM 1792 C CG . TYR A 1 232 ? 27.995 64.276 144.192 1.00 23.34 ? ? ? ? ? ? 231 TYR A CG 1 +ATOM 1793 C CD1 . TYR A 1 232 ? 27.661 64.224 142.852 1.00 23.82 ? ? ? ? ? ? 231 TYR A CD1 1 +ATOM 1794 C CD2 . TYR A 1 232 ? 28.473 63.114 144.783 1.00 19.70 ? ? ? ? ? ? 231 TYR A CD2 1 +ATOM 1795 C CE1 . TYR A 1 232 ? 27.797 63.044 142.109 1.00 22.13 ? ? ? ? ? ? 231 TYR A CE1 1 +ATOM 1796 C CE2 . TYR A 1 232 ? 28.595 61.931 144.057 1.00 19.66 ? ? ? ? ? ? 231 TYR A CE2 1 +ATOM 1797 C CZ . TYR A 1 232 ? 28.245 61.912 142.731 1.00 21.38 ? ? ? ? ? ? 231 TYR A CZ 1 +ATOM 1798 O OH . TYR A 1 232 ? 28.325 60.777 142.000 1.00 26.00 ? ? ? ? ? ? 231 TYR A OH 1 +ATOM 1799 N N . VAL A 1 233 ? 25.079 65.274 146.549 1.00 22.69 ? ? ? ? ? ? 232 VAL A N 1 +ATOM 1800 C CA . VAL A 1 233 ? 23.963 64.397 146.937 1.00 22.27 ? ? ? ? ? ? 232 VAL A CA 1 +ATOM 1801 C C . VAL A 1 233 ? 22.604 64.950 146.622 1.00 23.55 ? ? ? ? ? ? 232 VAL A C 1 +ATOM 1802 O O . VAL A 1 233 ? 21.667 64.141 146.434 1.00 23.90 ? ? ? ? ? ? 232 VAL A O 1 +ATOM 1803 C CB . VAL A 1 233 ? 23.977 63.882 148.421 1.00 24.26 ? ? ? ? ? ? 232 VAL A CB 1 +ATOM 1804 C CG1 . VAL A 1 233 ? 25.211 63.059 148.680 1.00 20.38 ? ? ? ? ? ? 232 VAL A CG1 1 +ATOM 1805 C CG2 . VAL A 1 233 ? 23.843 65.004 149.413 1.00 23.96 ? ? ? ? ? ? 232 VAL A CG2 1 +ATOM 1806 N N . LYS A 1 234 ? 22.454 66.276 146.501 1.00 23.25 ? ? ? ? ? ? 233 LYS A N 1 +ATOM 1807 C CA . LYS A 1 234 ? 21.122 66.828 146.251 1.00 24.58 ? ? ? ? ? ? 233 LYS A CA 1 +ATOM 1808 C C . LYS A 1 234 ? 20.414 66.274 145.010 1.00 22.81 ? ? ? ? ? ? 233 LYS A C 1 +ATOM 1809 O O . LYS A 1 234 ? 19.240 65.923 145.090 1.00 23.77 ? ? ? ? ? ? 233 LYS A O 1 +ATOM 1810 C CB . LYS A 1 234 ? 21.103 68.374 146.197 1.00 23.78 ? ? ? ? ? ? 233 LYS A CB 1 +ATOM 1811 C CG . LYS A 1 234 ? 19.676 68.917 146.425 1.00 32.86 ? ? ? ? ? ? 233 LYS A CG 1 +ATOM 1812 C CD . LYS A 1 234 ? 19.608 70.017 147.456 1.00 37.21 ? ? ? ? ? ? 233 LYS A CD 1 +ATOM 1813 C CE . LYS A 1 234 ? 18.159 70.427 147.798 1.00 42.52 ? ? ? ? ? ? 233 LYS A CE 1 +ATOM 1814 N NZ . LYS A 1 234 ? 17.370 69.367 148.518 1.00 38.71 ? ? ? ? ? ? 233 LYS A NZ 1 +ATOM 1815 N N . PRO A 1 235 ? 21.092 66.247 143.848 1.00 21.66 ? ? ? ? ? ? 234 PRO A N 1 +ATOM 1816 C CA . PRO A 1 235 ? 20.417 65.653 142.684 1.00 22.28 ? ? ? ? ? ? 234 PRO A CA 1 +ATOM 1817 C C . PRO A 1 235 ? 20.313 64.113 142.742 1.00 20.78 ? ? ? ? ? ? 234 PRO A C 1 +ATOM 1818 O O . PRO A 1 235 ? 19.443 63.540 142.129 1.00 20.84 ? ? ? ? ? ? 234 PRO A O 1 +ATOM 1819 C CB . PRO A 1 235 ? 21.295 66.098 141.506 1.00 23.47 ? ? ? ? ? ? 234 PRO A CB 1 +ATOM 1820 C CG . PRO A 1 235 ? 22.672 66.292 142.108 1.00 20.21 ? ? ? ? ? ? 234 PRO A CG 1 +ATOM 1821 C CD . PRO A 1 235 ? 22.423 66.783 143.515 1.00 23.05 ? ? ? ? ? ? 234 PRO A CD 1 +ATOM 1822 N N . ILE A 1 236 ? 21.204 63.461 143.472 1.00 21.76 ? ? ? ? ? ? 235 ILE A N 1 +ATOM 1823 C CA . ILE A 1 236 ? 21.133 61.997 143.666 1.00 20.76 ? ? ? ? ? ? 235 ILE A CA 1 +ATOM 1824 C C . ILE A 1 236 ? 19.852 61.664 144.447 1.00 20.86 ? ? ? ? ? ? 235 ILE A C 1 +ATOM 1825 O O . ILE A 1 236 ? 19.041 60.800 144.040 1.00 22.33 ? ? ? ? ? ? 235 ILE A O 1 +ATOM 1826 C CB . ILE A 1 236 ? 22.380 61.446 144.398 1.00 22.85 ? ? ? ? ? ? 235 ILE A CB 1 +ATOM 1827 C CG1 . ILE A 1 236 ? 23.617 61.638 143.516 1.00 19.21 ? ? ? ? ? ? 235 ILE A CG1 1 +ATOM 1828 C CG2 . ILE A 1 236 ? 22.224 59.929 144.701 1.00 20.71 ? ? ? ? ? ? 235 ILE A CG2 1 +ATOM 1829 C CD1 . ILE A 1 236 ? 24.952 61.349 144.192 1.00 17.19 ? ? ? ? ? ? 235 ILE A CD1 1 +ATOM 1830 N N . VAL A 1 237 ? 19.650 62.387 145.546 1.00 20.70 ? ? ? ? ? ? 236 VAL A N 1 +ATOM 1831 C CA . VAL A 1 237 ? 18.460 62.214 146.382 1.00 20.32 ? ? ? ? ? ? 236 VAL A CA 1 +ATOM 1832 C C . VAL A 1 237 ? 17.195 62.502 145.577 1.00 21.69 ? ? ? ? ? ? 236 VAL A C 1 +ATOM 1833 O O . VAL A 1 237 ? 16.207 61.775 145.677 1.00 22.30 ? ? ? ? ? ? 236 VAL A O 1 +ATOM 1834 C CB . VAL A 1 237 ? 18.526 63.085 147.650 1.00 19.51 ? ? ? ? ? ? 236 VAL A CB 1 +ATOM 1835 C CG1 . VAL A 1 237 ? 17.168 63.247 148.257 1.00 18.68 ? ? ? ? ? ? 236 VAL A CG1 1 +ATOM 1836 C CG2 . VAL A 1 237 ? 19.495 62.476 148.636 1.00 18.83 ? ? ? ? ? ? 236 VAL A CG2 1 +ATOM 1837 N N . GLU A 1 238 ? 17.230 63.535 144.754 1.00 22.86 ? ? ? ? ? ? 237 GLU A N 1 +ATOM 1838 C CA . GLU A 1 238 ? 16.058 63.928 143.975 1.00 23.07 ? ? ? ? ? ? 237 GLU A CA 1 +ATOM 1839 C C . GLU A 1 238 ? 15.697 62.875 142.967 1.00 21.80 ? ? ? ? ? ? 237 GLU A C 1 +ATOM 1840 O O . GLU A 1 238 ? 14.528 62.554 142.817 1.00 21.44 ? ? ? ? ? ? 237 GLU A O 1 +ATOM 1841 C CB . GLU A 1 238 ? 16.319 65.262 143.266 1.00 24.57 ? ? ? ? ? ? 237 GLU A CB 1 +ATOM 1842 C CG . GLU A 1 238 ? 15.077 65.929 142.763 1.00 30.83 ? ? ? ? ? ? 237 GLU A CG 1 +ATOM 1843 C CD . GLU A 1 238 ? 14.633 65.355 141.452 1.00 35.33 ? ? ? ? ? ? 237 GLU A CD 1 +ATOM 1844 O OE1 . GLU A 1 238 ? 15.516 65.016 140.635 1.00 42.72 ? ? ? ? ? ? 237 GLU A OE1 1 +ATOM 1845 O OE2 . GLU A 1 238 ? 13.412 65.234 141.244 1.00 36.54 ? ? ? ? ? ? 237 GLU A OE2 1 +ATOM 1846 N N . LYS A 1 239 ? 16.731 62.346 142.284 1.00 22.49 ? ? ? ? ? ? 238 LYS A N 1 +ATOM 1847 C CA . LYS A 1 239 ? 16.589 61.311 141.256 1.00 23.32 ? ? ? ? ? ? 238 LYS A CA 1 +ATOM 1848 C C . LYS A 1 239 ? 16.089 60.018 141.860 1.00 22.20 ? ? ? ? ? ? 238 LYS A C 1 +ATOM 1849 O O . LYS A 1 239 ? 15.181 59.385 141.310 1.00 21.90 ? ? ? ? ? ? 238 LYS A O 1 +ATOM 1850 C CB . LYS A 1 239 ? 17.911 61.074 140.516 1.00 23.69 ? ? ? ? ? ? 238 LYS A CB 1 +ATOM 1851 C CG . LYS A 1 239 ? 18.180 62.035 139.366 1.00 27.37 ? ? ? ? ? ? 238 LYS A CG 1 +ATOM 1852 C CD . LYS A 1 239 ? 19.408 61.625 138.535 1.00 32.64 ? ? ? ? ? ? 238 LYS A CD 1 +ATOM 1853 C CE . LYS A 1 239 ? 19.803 62.737 137.566 1.00 44.84 ? ? ? ? ? ? 238 LYS A CE 1 +ATOM 1854 N NZ . LYS A 1 239 ? 18.652 63.187 136.696 1.00 46.39 ? ? ? ? ? ? 238 LYS A NZ 1 +ATOM 1855 N N . LEU A 1 240 ? 16.643 59.647 143.009 1.00 22.13 ? ? ? ? ? ? 239 LEU A N 1 +ATOM 1856 C CA . LEU A 1 240 ? 16.162 58.439 143.725 1.00 21.27 ? ? ? ? ? ? 239 LEU A CA 1 +ATOM 1857 C C . LEU A 1 240 ? 14.723 58.598 144.209 1.00 20.89 ? ? ? ? ? ? 239 LEU A C 1 +ATOM 1858 O O . LEU A 1 240 ? 13.927 57.685 144.022 1.00 20.93 ? ? ? ? ? ? 239 LEU A O 1 +ATOM 1859 C CB . LEU A 1 240 ? 17.078 58.068 144.907 1.00 20.41 ? ? ? ? ? ? 239 LEU A CB 1 +ATOM 1860 C CG . LEU A 1 240 ? 18.394 57.399 144.528 1.00 21.48 ? ? ? ? ? ? 239 LEU A CG 1 +ATOM 1861 C CD1 . LEU A 1 240 ? 19.397 57.354 145.737 1.00 20.09 ? ? ? ? ? ? 239 LEU A CD1 1 +ATOM 1862 C CD2 . LEU A 1 240 ? 18.094 55.999 143.944 1.00 20.51 ? ? ? ? ? ? 239 LEU A CD2 1 +ATOM 1863 N N . ALA A 1 241 ? 14.380 59.743 144.812 1.00 20.93 ? ? ? ? ? ? 240 ALA A N 1 +ATOM 1864 C CA . ALA A 1 241 ? 12.994 60.027 145.235 1.00 20.43 ? ? ? ? ? ? 240 ALA A CA 1 +ATOM 1865 C C . ALA A 1 241 ? 12.043 59.829 144.091 1.00 20.46 ? ? ? ? ? ? 240 ALA A C 1 +ATOM 1866 O O . ALA A 1 241 ? 10.994 59.210 144.250 1.00 22.74 ? ? ? ? ? ? 240 ALA A O 1 +ATOM 1867 C CB . ALA A 1 241 ? 12.849 61.470 145.817 1.00 19.01 ? ? ? ? ? ? 240 ALA A CB 1 +ATOM 1868 N N . GLY A 1 242 ? 12.409 60.359 142.925 1.00 21.11 ? ? ? ? ? ? 241 GLY A N 1 +ATOM 1869 C CA . GLY A 1 242 ? 11.631 60.189 141.714 1.00 21.35 ? ? ? ? ? ? 241 GLY A CA 1 +ATOM 1870 C C . GLY A 1 242 ? 11.468 58.745 141.284 1.00 21.74 ? ? ? ? ? ? 241 GLY A C 1 +ATOM 1871 O O . GLY A 1 242 ? 10.382 58.371 140.856 1.00 21.78 ? ? ? ? ? ? 241 GLY A O 1 +ATOM 1872 N N . LEU A 1 243 ? 12.558 57.959 141.353 1.00 21.18 ? ? ? ? ? ? 242 LEU A N 1 +ATOM 1873 C CA . LEU A 1 243 ? 12.497 56.506 141.133 1.00 20.81 ? ? ? ? ? ? 242 LEU A CA 1 +ATOM 1874 C C . LEU A 1 243 ? 11.462 55.851 142.082 1.00 21.64 ? ? ? ? ? ? 242 LEU A C 1 +ATOM 1875 O O . LEU A 1 243 ? 10.582 55.090 141.635 1.00 21.56 ? ? ? ? ? ? 242 LEU A O 1 +ATOM 1876 C CB . LEU A 1 243 ? 13.886 55.845 141.289 1.00 18.36 ? ? ? ? ? ? 242 LEU A CB 1 +ATOM 1877 C CG . LEU A 1 243 ? 13.882 54.306 141.186 1.00 22.01 ? ? ? ? ? ? 242 LEU A CG 1 +ATOM 1878 C CD1 . LEU A 1 243 ? 13.405 53.862 139.803 1.00 20.96 ? ? ? ? ? ? 242 LEU A CD1 1 +ATOM 1879 C CD2 . LEU A 1 243 ? 15.212 53.683 141.501 1.00 20.91 ? ? ? ? ? ? 242 LEU A CD2 1 +ATOM 1880 N N . PHE A 1 244 ? 11.570 56.140 143.380 1.00 22.25 ? ? ? ? ? ? 243 PHE A N 1 +ATOM 1881 C CA . PHE A 1 244 ? 10.659 55.554 144.383 1.00 23.30 ? ? ? ? ? ? 243 PHE A CA 1 +ATOM 1882 C C . PHE A 1 244 ? 9.202 55.852 144.006 1.00 23.87 ? ? ? ? ? ? 243 PHE A C 1 +ATOM 1883 O O . PHE A 1 244 ? 8.356 54.974 144.028 1.00 25.01 ? ? ? ? ? ? 243 PHE A O 1 +ATOM 1884 C CB . PHE A 1 244 ? 10.912 56.078 145.805 1.00 22.28 ? ? ? ? ? ? 243 PHE A CB 1 +ATOM 1885 C CG . PHE A 1 244 ? 12.307 55.861 146.331 1.00 19.32 ? ? ? ? ? ? 243 PHE A CG 1 +ATOM 1886 C CD1 . PHE A 1 244 ? 13.231 55.050 145.682 1.00 27.73 ? ? ? ? ? ? 243 PHE A CD1 1 +ATOM 1887 C CD2 . PHE A 1 244 ? 12.699 56.482 147.496 1.00 24.62 ? ? ? ? ? ? 243 PHE A CD2 1 +ATOM 1888 C CE1 . PHE A 1 244 ? 14.535 54.873 146.189 1.00 22.64 ? ? ? ? ? ? 243 PHE A CE1 1 +ATOM 1889 C CE2 . PHE A 1 244 ? 14.014 56.302 148.026 1.00 22.98 ? ? ? ? ? ? 243 PHE A CE2 1 +ATOM 1890 C CZ . PHE A 1 244 ? 14.920 55.498 147.357 1.00 22.96 ? ? ? ? ? ? 243 PHE A CZ 1 +ATOM 1891 N N . GLU A 1 245 ? 8.942 57.107 143.663 1.00 23.78 ? ? ? ? ? ? 244 GLU A N 1 +ATOM 1892 C CA . GLU A 1 245 ? 7.632 57.569 143.305 1.00 24.69 ? ? ? ? ? ? 244 GLU A CA 1 +ATOM 1893 C C . GLU A 1 245 ? 7.089 56.821 142.114 1.00 24.54 ? ? ? ? ? ? 244 GLU A C 1 +ATOM 1894 O O . GLU A 1 245 ? 5.943 56.382 142.121 1.00 25.38 ? ? ? ? ? ? 244 GLU A O 1 +ATOM 1895 C CB . GLU A 1 245 ? 7.669 59.073 143.015 1.00 25.54 ? ? ? ? ? ? 244 GLU A CB 1 +ATOM 1896 C CG . GLU A 1 245 ? 7.843 59.882 144.312 1.00 27.73 ? ? ? ? ? ? 244 GLU A CG 1 +ATOM 1897 C CD . GLU A 1 245 ? 8.176 61.351 144.124 1.00 28.61 ? ? ? ? ? ? 244 GLU A CD 1 +ATOM 1898 O OE1 . GLU A 1 245 ? 8.546 61.768 142.998 1.00 32.60 ? ? ? ? ? ? 244 GLU A OE1 1 +ATOM 1899 O OE2 . GLU A 1 245 ? 8.045 62.087 145.131 1.00 32.30 ? ? ? ? ? ? 244 GLU A OE2 1 +ATOM 1900 N N . GLU A 1 246 ? 7.926 56.666 141.093 1.00 24.92 ? ? ? ? ? ? 245 GLU A N 1 +ATOM 1901 C CA . GLU A 1 246 ? 7.496 55.997 139.851 1.00 25.51 ? ? ? ? ? ? 245 GLU A CA 1 +ATOM 1902 C C . GLU A 1 246 ? 7.258 54.486 140.084 1.00 26.16 ? ? ? ? ? ? 245 GLU A C 1 +ATOM 1903 O O . GLU A 1 246 ? 6.321 53.916 139.540 1.00 27.19 ? ? ? ? ? ? 245 GLU A O 1 +ATOM 1904 C CB . GLU A 1 246 ? 8.519 56.251 138.734 1.00 23.54 ? ? ? ? ? ? 245 GLU A CB 1 +ATOM 1905 C CG . GLU A 1 246 ? 8.545 57.678 138.187 1.00 28.01 ? ? ? ? ? ? 245 GLU A CG 1 +ATOM 1906 C CD . GLU A 1 246 ? 9.857 58.054 137.489 1.00 28.61 ? ? ? ? ? ? 245 GLU A CD 1 +ATOM 1907 O OE1 . GLU A 1 246 ? 10.745 57.185 137.348 1.00 30.98 ? ? ? ? ? ? 245 GLU A OE1 1 +ATOM 1908 O OE2 . GLU A 1 246 ? 10.013 59.234 137.097 1.00 33.96 ? ? ? ? ? ? 245 GLU A OE2 1 +ATOM 1909 N N . MSE A 1 247 ? 8.121 53.855 140.891 1.00 26.58 ? ? ? ? ? ? 246 MSE A N 1 +ATOM 1910 C CA . MSE A 1 247 ? 7.969 52.443 141.313 1.00 26.14 ? ? ? ? ? ? 246 MSE A CA 1 +ATOM 1911 C C . MSE A 1 247 ? 6.676 52.207 142.069 1.00 28.44 ? ? ? ? ? ? 246 MSE A C 1 +ATOM 1912 O O . MSE A 1 247 ? 6.053 51.156 141.914 1.00 28.98 ? ? ? ? ? ? 246 MSE A O 1 +ATOM 1913 C CB . MSE A 1 247 ? 9.132 52.018 142.204 1.00 25.30 ? ? ? ? ? ? 246 MSE A CB 1 +ATOM 1914 C CG . MSE A 1 247 ? 10.422 51.843 141.451 1.00 25.97 ? ? ? ? ? ? 246 MSE A CG 1 +ATOM 1915 SE SE . MSE A 1 247 ? 11.938 51.287 142.514 0.75 27.72 ? ? ? ? ? ? 246 MSE A SE 1 +ATOM 1916 C CE . MSE A 1 247 ? 11.211 49.350 142.947 1.00 24.46 ? ? ? ? ? ? 246 MSE A CE 1 +ATOM 1917 N N . ALA A 1 248 ? 6.291 53.173 142.911 1.00 29.94 ? ? ? ? ? ? 247 ALA A N 1 +ATOM 1918 C CA . ALA A 1 248 ? 5.037 53.105 143.658 1.00 30.67 ? ? ? ? ? ? 247 ALA A CA 1 +ATOM 1919 C C . ALA A 1 248 ? 3.854 53.347 142.731 1.00 30.83 ? ? ? ? ? ? 247 ALA A C 1 +ATOM 1920 O O . ALA A 1 248 ? 2.800 52.744 142.902 1.00 31.38 ? ? ? ? ? ? 247 ALA A O 1 +ATOM 1921 C CB . ALA A 1 248 ? 5.020 54.137 144.828 1.00 30.34 ? ? ? ? ? ? 247 ALA A CB 1 +ATOM 1922 N N . GLN A 1 249 ? 4.038 54.198 141.730 1.00 30.21 ? ? ? ? ? ? 248 GLN A N 1 +ATOM 1923 C CA . GLN A 1 249 ? 2.918 54.681 140.928 1.00 33.42 ? ? ? ? ? ? 248 GLN A CA 1 +ATOM 1924 C C . GLN A 1 249 ? 2.698 54.011 139.540 1.00 33.87 ? ? ? ? ? ? 248 GLN A C 1 +ATOM 1925 O O . GLN A 1 249 ? 1.643 54.228 138.914 1.00 34.56 ? ? ? ? ? ? 248 GLN A O 1 +ATOM 1926 C CB . GLN A 1 249 ? 3.027 56.213 140.794 1.00 33.12 ? ? ? ? ? ? 248 GLN A CB 1 +ATOM 1927 C CG . GLN A 1 249 ? 2.975 56.888 142.207 1.00 37.97 ? ? ? ? ? ? 248 GLN A CG 1 +ATOM 1928 C CD . GLN A 1 249 ? 3.084 58.415 142.211 1.00 38.83 ? ? ? ? ? ? 248 GLN A CD 1 +ATOM 1929 O OE1 . GLN A 1 249 ? 3.800 59.023 141.403 1.00 45.62 ? ? ? ? ? ? 248 GLN A OE1 1 +ATOM 1930 N NE2 . GLN A 1 249 ? 2.375 59.037 143.152 1.00 42.30 ? ? ? ? ? ? 248 GLN A NE2 1 +ATOM 1931 N N . HIS A 1 250 ? 3.658 53.209 139.064 1.00 33.21 ? ? ? ? ? ? 249 HIS A N 1 +ATOM 1932 C CA . HIS A 1 250 ? 3.521 52.538 137.766 1.00 33.08 ? ? ? ? ? ? 249 HIS A CA 1 +ATOM 1933 C C . HIS A 1 250 ? 3.906 51.075 137.831 1.00 32.38 ? ? ? ? ? ? 249 HIS A C 1 +ATOM 1934 O O . HIS A 1 250 ? 4.730 50.670 138.630 1.00 33.06 ? ? ? ? ? ? 249 HIS A O 1 +ATOM 1935 C CB . HIS A 1 250 ? 4.398 53.209 136.702 1.00 34.36 ? ? ? ? ? ? 249 HIS A CB 1 +ATOM 1936 C CG . HIS A 1 250 ? 4.023 54.628 136.389 1.00 35.66 ? ? ? ? ? ? 249 HIS A CG 1 +ATOM 1937 N ND1 . HIS A 1 250 ? 3.005 54.958 135.515 1.00 37.00 ? ? ? ? ? ? 249 HIS A ND1 1 +ATOM 1938 C CD2 . HIS A 1 250 ? 4.562 55.800 136.802 1.00 36.57 ? ? ? ? ? ? 249 HIS A CD2 1 +ATOM 1939 C CE1 . HIS A 1 250 ? 2.926 56.273 135.416 1.00 41.21 ? ? ? ? ? ? 249 HIS A CE1 1 +ATOM 1940 N NE2 . HIS A 1 250 ? 3.860 56.807 136.186 1.00 38.31 ? ? ? ? ? ? 249 HIS A NE2 1 +ATOM 1941 N N . ASP A 1 251 ? 3.285 50.281 136.969 1.00 32.34 ? ? ? ? ? ? 250 ASP A N 1 +ATOM 1942 C CA . ASP A 1 251 ? 3.731 48.922 136.722 1.00 31.49 ? ? ? ? ? ? 250 ASP A CA 1 +ATOM 1943 C C . ASP A 1 251 ? 5.035 48.993 135.936 1.00 28.27 ? ? ? ? ? ? 250 ASP A C 1 +ATOM 1944 O O . ASP A 1 251 ? 5.371 50.028 135.371 1.00 27.43 ? ? ? ? ? ? 250 ASP A O 1 +ATOM 1945 C CB . ASP A 1 251 ? 2.634 48.157 135.956 1.00 34.28 ? ? ? ? ? ? 250 ASP A CB 1 +ATOM 1946 C CG . ASP A 1 251 ? 1.315 48.041 136.758 1.00 40.33 ? ? ? ? ? ? 250 ASP A CG 1 +ATOM 1947 O OD1 . ASP A 1 251 ? 1.341 48.304 137.992 1.00 44.67 ? ? ? ? ? ? 250 ASP A OD1 1 +ATOM 1948 O OD2 . ASP A 1 251 ? 0.269 47.683 136.163 1.00 47.15 ? ? ? ? ? ? 250 ASP A OD2 1 +ATOM 1949 N N . LEU A 1 252 ? 5.788 47.902 135.909 1.00 26.39 ? ? ? ? ? ? 251 LEU A N 1 +ATOM 1950 C CA . LEU A 1 252 ? 7.047 47.881 135.177 1.00 26.04 ? ? ? ? ? ? 251 LEU A CA 1 +ATOM 1951 C C . LEU A 1 252 ? 6.789 48.201 133.681 1.00 25.96 ? ? ? ? ? ? 251 LEU A C 1 +ATOM 1952 O O . LEU A 1 252 ? 7.515 48.997 133.053 1.00 24.02 ? ? ? ? ? ? 251 LEU A O 1 +ATOM 1953 C CB . LEU A 1 252 ? 7.766 46.541 135.391 1.00 25.80 ? ? ? ? ? ? 251 LEU A CB 1 +ATOM 1954 C CG . LEU A 1 252 ? 9.139 46.417 134.756 1.00 25.10 ? ? ? ? ? ? 251 LEU A CG 1 +ATOM 1955 C CD1 . LEU A 1 252 ? 10.074 47.559 135.255 1.00 18.64 ? ? ? ? ? ? 251 LEU A CD1 1 +ATOM 1956 C CD2 . LEU A 1 252 ? 9.701 45.037 135.019 1.00 23.15 ? ? ? ? ? ? 251 LEU A CD2 1 +ATOM 1957 N N . TYR A 1 253 ? 5.732 47.607 133.148 1.00 26.64 ? ? ? ? ? ? 252 TYR A N 1 +ATOM 1958 C CA . TYR A 1 253 ? 5.269 47.873 131.784 1.00 28.46 ? ? ? ? ? ? 252 TYR A CA 1 +ATOM 1959 C C . TYR A 1 253 ? 3.785 48.166 131.817 1.00 31.57 ? ? ? ? ? ? 252 TYR A C 1 +ATOM 1960 O O . TYR A 1 253 ? 3.049 47.604 132.624 1.00 31.75 ? ? ? ? ? ? 252 TYR A O 1 +ATOM 1961 C CB . TYR A 1 253 ? 5.501 46.682 130.836 1.00 27.44 ? ? ? ? ? ? 252 TYR A CB 1 +ATOM 1962 C CG . TYR A 1 253 ? 6.942 46.376 130.569 1.00 25.01 ? ? ? ? ? ? 252 TYR A CG 1 +ATOM 1963 C CD1 . TYR A 1 253 ? 7.632 46.996 129.530 1.00 24.79 ? ? ? ? ? ? 252 TYR A CD1 1 +ATOM 1964 C CD2 . TYR A 1 253 ? 7.628 45.432 131.336 1.00 25.16 ? ? ? ? ? ? 252 TYR A CD2 1 +ATOM 1965 C CE1 . TYR A 1 253 ? 8.975 46.716 129.296 1.00 23.95 ? ? ? ? ? ? 252 TYR A CE1 1 +ATOM 1966 C CE2 . TYR A 1 253 ? 8.972 45.134 131.086 1.00 19.92 ? ? ? ? ? ? 252 TYR A CE2 1 +ATOM 1967 C CZ . TYR A 1 253 ? 9.636 45.785 130.084 1.00 22.96 ? ? ? ? ? ? 252 TYR A CZ 1 +ATOM 1968 O OH . TYR A 1 253 ? 10.952 45.464 129.854 1.00 21.95 ? ? ? ? ? ? 252 TYR A OH 1 +ATOM 1969 N N . GLU A 1 254 ? 3.364 49.050 130.929 1.00 36.67 ? ? ? ? ? ? 253 GLU A N 1 +ATOM 1970 C CA . GLU A 1 254 ? 1.968 49.497 130.826 1.00 41.35 ? ? ? ? ? ? 253 GLU A CA 1 +ATOM 1971 C C . GLU A 1 254 ? 1.654 49.753 129.353 1.00 44.41 ? ? ? ? ? ? 253 GLU A C 1 +ATOM 1972 O O . GLU A 1 254 ? 2.289 49.176 128.471 1.00 46.19 ? ? ? ? ? ? 253 GLU A O 1 +ATOM 1973 C CB . GLU A 1 254 ? 1.757 50.792 131.629 1.00 42.34 ? ? ? ? ? ? 253 GLU A CB 1 +ATOM 1974 C CG . GLU A 1 254 ? 2.043 50.680 133.144 1.00 43.45 ? ? ? ? ? ? 253 GLU A CG 1 +ATOM 1975 C CD . GLU A 1 254 ? 1.837 51.995 133.902 1.00 43.76 ? ? ? ? ? ? 253 GLU A CD 1 +ATOM 1976 O OE1 . GLU A 1 254 ? 2.062 53.092 133.309 1.00 46.33 ? ? ? ? ? ? 253 GLU A OE1 1 +ATOM 1977 O OE2 . GLU A 1 254 ? 1.453 51.917 135.098 1.00 48.21 ? ? ? ? ? ? 253 GLU A OE2 1 +ATOM 1978 O OXT . GLU A 1 254 ? 0.805 50.561 128.973 1.00 45.83 ? ? ? ? ? ? 253 GLU A OXT 1 +ATOM 1979 N N . MSE B 1 2 ? 32.302 57.954 171.595 1.00 39.45 ? ? ? ? ? ? 1 MSE B N 1 +ATOM 1980 C CA . MSE B 1 2 ? 32.821 57.433 170.287 1.00 40.15 ? ? ? ? ? ? 1 MSE B CA 1 +ATOM 1981 C C . MSE B 1 2 ? 34.225 56.908 170.505 1.00 37.58 ? ? ? ? ? ? 1 MSE B C 1 +ATOM 1982 O O . MSE B 1 2 ? 35.120 57.663 170.920 1.00 37.91 ? ? ? ? ? ? 1 MSE B O 1 +ATOM 1983 C CB . MSE B 1 2 ? 32.849 58.535 169.206 1.00 40.32 ? ? ? ? ? ? 1 MSE B CB 1 +ATOM 1984 C CG . MSE B 1 2 ? 33.130 58.025 167.776 1.00 42.82 ? ? ? ? ? ? 1 MSE B CG 1 +ATOM 1985 SE SE . MSE B 1 2 ? 33.739 59.348 166.370 0.75 49.18 ? ? ? ? ? ? 1 MSE B SE 1 +ATOM 1986 C CE . MSE B 1 2 ? 32.191 60.627 166.500 1.00 43.41 ? ? ? ? ? ? 1 MSE B CE 1 +ATOM 1987 N N . ASN B 1 3 ? 34.437 55.622 170.239 1.00 33.76 ? ? ? ? ? ? 2 ASN B N 1 +ATOM 1988 C CA . ASN B 1 3 ? 35.759 55.032 170.491 1.00 31.24 ? ? ? ? ? ? 2 ASN B CA 1 +ATOM 1989 C C . ASN B 1 3 ? 36.277 54.243 169.305 1.00 29.78 ? ? ? ? ? ? 2 ASN B C 1 +ATOM 1990 O O . ASN B 1 3 ? 36.024 53.038 169.163 1.00 28.01 ? ? ? ? ? ? 2 ASN B O 1 +ATOM 1991 C CB . ASN B 1 3 ? 35.739 54.164 171.763 1.00 31.99 ? ? ? ? ? ? 2 ASN B CB 1 +ATOM 1992 C CG . ASN B 1 3 ? 37.132 53.789 172.234 1.00 30.88 ? ? ? ? ? ? 2 ASN B CG 1 +ATOM 1993 O OD1 . ASN B 1 3 ? 38.062 53.724 171.442 1.00 34.38 ? ? ? ? ? ? 2 ASN B OD1 1 +ATOM 1994 N ND2 . ASN B 1 3 ? 37.277 53.531 173.536 1.00 31.85 ? ? ? ? ? ? 2 ASN B ND2 1 +ATOM 1995 N N . LYS B 1 4 ? 37.045 54.934 168.471 1.00 29.16 ? ? ? ? ? ? 3 LYS B N 1 +ATOM 1996 C CA . LYS B 1 4 ? 37.653 54.353 167.269 1.00 30.11 ? ? ? ? ? ? 3 LYS B CA 1 +ATOM 1997 C C . LYS B 1 4 ? 38.640 53.226 167.557 1.00 28.64 ? ? ? ? ? ? 3 LYS B C 1 +ATOM 1998 O O . LYS B 1 4 ? 38.995 52.455 166.648 1.00 28.15 ? ? ? ? ? ? 3 LYS B O 1 +ATOM 1999 C CB . LYS B 1 4 ? 38.366 55.432 166.435 1.00 31.86 ? ? ? ? ? ? 3 LYS B CB 1 +ATOM 2000 C CG . LYS B 1 4 ? 37.418 56.456 165.825 1.00 34.65 ? ? ? ? ? ? 3 LYS B CG 1 +ATOM 2001 C CD . LYS B 1 4 ? 38.040 57.244 164.668 1.00 33.86 ? ? ? ? ? ? 3 LYS B CD 1 +ATOM 2002 C CE . LYS B 1 4 ? 37.002 58.225 164.089 1.00 38.30 ? ? ? ? ? ? 3 LYS B CE 1 +ATOM 2003 N NZ . LYS B 1 4 ? 37.293 58.650 162.688 1.00 33.60 ? ? ? ? ? ? 3 LYS B NZ 1 +ATOM 2004 N N . GLU B 1 5 ? 39.067 53.104 168.812 1.00 28.04 ? ? ? ? ? ? 4 GLU B N 1 +ATOM 2005 C CA . GLU B 1 5 ? 40.030 52.063 169.180 1.00 27.75 ? ? ? ? ? ? 4 GLU B CA 1 +ATOM 2006 C C . GLU B 1 5 ? 39.406 50.660 169.219 1.00 23.94 ? ? ? ? ? ? 4 GLU B C 1 +ATOM 2007 O O . GLU B 1 5 ? 40.043 49.694 168.842 1.00 24.60 ? ? ? ? ? ? 4 GLU B O 1 +ATOM 2008 C CB . GLU B 1 5 ? 40.647 52.375 170.551 1.00 28.40 ? ? ? ? ? ? 4 GLU B CB 1 +ATOM 2009 C CG . GLU B 1 5 ? 41.956 51.569 170.833 1.00 31.04 ? ? ? ? ? ? 4 GLU B CG 1 +ATOM 2010 C CD . GLU B 1 5 ? 42.861 52.214 171.873 1.00 31.47 ? ? ? ? ? ? 4 GLU B CD 1 +ATOM 2011 O OE1 . GLU B 1 5 ? 42.458 53.218 172.505 1.00 41.01 ? ? ? ? ? ? 4 GLU B OE1 1 +ATOM 2012 O OE2 . GLU B 1 5 ? 43.988 51.711 172.049 1.00 33.31 ? ? ? ? ? ? 4 GLU B OE2 1 +ATOM 2013 N N . VAL B 1 6 ? 38.177 50.557 169.731 1.00 22.25 ? ? ? ? ? ? 5 VAL B N 1 +ATOM 2014 C CA . VAL B 1 6 ? 37.530 49.257 169.973 1.00 21.01 ? ? ? ? ? ? 5 VAL B CA 1 +ATOM 2015 C C . VAL B 1 6 ? 36.163 49.093 169.294 1.00 20.65 ? ? ? ? ? ? 5 VAL B C 1 +ATOM 2016 O O . VAL B 1 6 ? 35.542 48.030 169.403 1.00 20.26 ? ? ? ? ? ? 5 VAL B O 1 +ATOM 2017 C CB . VAL B 1 6 ? 37.398 48.994 171.506 1.00 21.44 ? ? ? ? ? ? 5 VAL B CB 1 +ATOM 2018 C CG1 . VAL B 1 6 ? 38.755 49.206 172.192 1.00 21.01 ? ? ? ? ? ? 5 VAL B CG1 1 +ATOM 2019 C CG2 . VAL B 1 6 ? 36.309 49.871 172.132 1.00 18.43 ? ? ? ? ? ? 5 VAL B CG2 1 +ATOM 2020 N N . ASP B 1 7 ? 35.713 50.117 168.581 1.00 19.55 ? ? ? ? ? ? 6 ASP B N 1 +ATOM 2021 C CA . ASP B 1 7 ? 34.455 50.064 167.900 1.00 19.37 ? ? ? ? ? ? 6 ASP B CA 1 +ATOM 2022 C C . ASP B 1 7 ? 34.626 50.270 166.401 1.00 19.92 ? ? ? ? ? ? 6 ASP B C 1 +ATOM 2023 O O . ASP B 1 7 ? 34.728 51.403 165.964 1.00 20.91 ? ? ? ? ? ? 6 ASP B O 1 +ATOM 2024 C CB . ASP B 1 7 ? 33.547 51.139 168.440 1.00 19.34 ? ? ? ? ? ? 6 ASP B CB 1 +ATOM 2025 C CG . ASP B 1 7 ? 32.133 50.994 167.956 1.00 21.82 ? ? ? ? ? ? 6 ASP B CG 1 +ATOM 2026 O OD1 . ASP B 1 7 ? 31.872 50.069 167.133 1.00 25.80 ? ? ? ? ? ? 6 ASP B OD1 1 +ATOM 2027 O OD2 . ASP B 1 7 ? 31.272 51.791 168.421 1.00 23.01 ? ? ? ? ? ? 6 ASP B OD2 1 +ATOM 2028 N N . LEU B 1 8 ? 34.605 49.194 165.608 1.00 18.87 ? ? ? ? ? ? 7 LEU B N 1 +ATOM 2029 C CA . LEU B 1 8 ? 34.795 49.319 164.157 1.00 19.81 ? ? ? ? ? ? 7 LEU B CA 1 +ATOM 2030 C C . LEU B 1 8 ? 33.736 50.178 163.472 1.00 21.08 ? ? ? ? ? ? 7 LEU B C 1 +ATOM 2031 O O . LEU B 1 8 ? 34.027 50.832 162.453 1.00 22.49 ? ? ? ? ? ? 7 LEU B O 1 +ATOM 2032 C CB . LEU B 1 8 ? 34.810 47.949 163.462 1.00 19.92 ? ? ? ? ? ? 7 LEU B CB 1 +ATOM 2033 C CG . LEU B 1 8 ? 35.549 47.927 162.126 1.00 18.39 ? ? ? ? ? ? 7 LEU B CG 1 +ATOM 2034 C CD1 . LEU B 1 8 ? 37.055 47.929 162.400 1.00 11.95 ? ? ? ? ? ? 7 LEU B CD1 1 +ATOM 2035 C CD2 . LEU B 1 8 ? 35.131 46.729 161.310 1.00 12.60 ? ? ? ? ? ? 7 LEU B CD2 1 +ATOM 2036 N N . SER B 1 9 ? 32.516 50.185 164.021 1.00 21.07 ? ? ? ? ? ? 8 SER B N 1 +ATOM 2037 C CA . SER B 1 9 ? 31.423 50.931 163.434 1.00 22.15 ? ? ? ? ? ? 8 SER B CA 1 +ATOM 2038 C C . SER B 1 9 ? 31.713 52.416 163.279 1.00 22.80 ? ? ? ? ? ? 8 SER B C 1 +ATOM 2039 O O . SER B 1 9 ? 31.092 53.070 162.425 1.00 23.51 ? ? ? ? ? ? 8 SER B O 1 +ATOM 2040 C CB . SER B 1 9 ? 30.140 50.697 164.237 1.00 23.03 ? ? ? ? ? ? 8 SER B CB 1 +ATOM 2041 O OG . SER B 1 9 ? 29.880 49.298 164.202 1.00 25.88 ? ? ? ? ? ? 8 SER B OG 1 +ATOM 2042 N N . VAL B 1 10 ? 32.669 52.931 164.059 1.00 22.22 ? ? ? ? ? ? 9 VAL B N 1 +ATOM 2043 C CA . VAL B 1 10 ? 33.087 54.343 163.956 1.00 22.94 ? ? ? ? ? ? 9 VAL B CA 1 +ATOM 2044 C C . VAL B 1 10 ? 34.567 54.490 163.573 1.00 23.93 ? ? ? ? ? ? 9 VAL B C 1 +ATOM 2045 O O . VAL B 1 10 ? 35.044 55.601 163.375 1.00 27.53 ? ? ? ? ? ? 9 VAL B O 1 +ATOM 2046 C CB . VAL B 1 10 ? 32.795 55.162 165.290 1.00 22.10 ? ? ? ? ? ? 9 VAL B CB 1 +ATOM 2047 C CG1 . VAL B 1 10 ? 31.298 55.181 165.601 1.00 20.97 ? ? ? ? ? ? 9 VAL B CG1 1 +ATOM 2048 C CG2 . VAL B 1 10 ? 33.610 54.642 166.489 1.00 19.28 ? ? ? ? ? ? 9 VAL B CG2 1 +ATOM 2049 N N . SER B 1 11 ? 35.292 53.382 163.479 1.00 23.00 ? ? ? ? ? ? 10 SER B N 1 +ATOM 2050 C CA . SER B 1 11 ? 36.748 53.426 163.364 1.00 21.95 ? ? ? ? ? ? 10 SER B CA 1 +ATOM 2051 C C . SER B 1 11 ? 37.219 53.550 161.917 1.00 23.24 ? ? ? ? ? ? 10 SER B C 1 +ATOM 2052 O O . SER B 1 11 ? 36.417 53.475 160.974 1.00 22.62 ? ? ? ? ? ? 10 SER B O 1 +ATOM 2053 C CB . SER B 1 11 ? 37.379 52.199 164.013 1.00 24.69 ? ? ? ? ? ? 10 SER B CB 1 +ATOM 2054 O OG . SER B 1 11 ? 38.769 52.369 164.142 1.00 27.96 ? ? ? ? ? ? 10 SER B OG 1 +ATOM 2055 N N . CYS B 1 12 ? 38.524 53.801 161.758 1.00 23.10 ? ? ? ? ? ? 11 CYS B N 1 +ATOM 2056 C CA . CYS B 1 12 ? 39.149 53.900 160.440 1.00 23.44 ? ? ? ? ? ? 11 CYS B CA 1 +ATOM 2057 C C . CYS B 1 12 ? 40.532 53.267 160.471 1.00 23.31 ? ? ? ? ? ? 11 CYS B C 1 +ATOM 2058 O O . CYS B 1 12 ? 41.093 53.052 161.538 1.00 23.88 ? ? ? ? ? ? 11 CYS B O 1 +ATOM 2059 C CB . CYS B 1 12 ? 39.261 55.347 159.969 1.00 24.14 ? ? ? ? ? ? 11 CYS B CB 1 +ATOM 2060 S SG . CYS B 1 12 ? 40.210 56.387 161.084 1.00 26.60 ? ? ? ? ? ? 11 CYS B SG 1 +ATOM 2061 N N . LEU B 1 13 ? 41.070 52.972 159.293 1.00 23.72 ? ? ? ? ? ? 12 LEU B N 1 +ATOM 2062 C CA . LEU B 1 13 ? 42.346 52.255 159.202 1.00 24.05 ? ? ? ? ? ? 12 LEU B CA 1 +ATOM 2063 C C . LEU B 1 13 ? 43.469 53.031 159.884 1.00 25.43 ? ? ? ? ? ? 12 LEU B C 1 +ATOM 2064 O O . LEU B 1 13 ? 44.316 52.445 160.543 1.00 26.86 ? ? ? ? ? ? 12 LEU B O 1 +ATOM 2065 C CB . LEU B 1 13 ? 42.721 51.907 157.744 1.00 24.68 ? ? ? ? ? ? 12 LEU B CB 1 +ATOM 2066 C CG . LEU B 1 13 ? 44.026 51.109 157.519 1.00 24.56 ? ? ? ? ? ? 12 LEU B CG 1 +ATOM 2067 C CD1 . LEU B 1 13 ? 43.997 49.796 158.280 1.00 24.08 ? ? ? ? ? ? 12 LEU B CD1 1 +ATOM 2068 C CD2 . LEU B 1 13 ? 44.340 50.811 156.035 1.00 25.19 ? ? ? ? ? ? 12 LEU B CD2 1 +ATOM 2069 N N . GLY B 1 14 ? 43.481 54.348 159.755 1.00 26.73 ? ? ? ? ? ? 13 GLY B N 1 +ATOM 2070 C CA . GLY B 1 14 ? 44.484 55.172 160.441 1.00 27.19 ? ? ? ? ? ? 13 GLY B CA 1 +ATOM 2071 C C . GLY B 1 14 ? 44.556 54.952 161.962 1.00 28.60 ? ? ? ? ? ? 13 GLY B C 1 +ATOM 2072 O O . GLY B 1 14 ? 45.663 54.889 162.522 1.00 28.63 ? ? ? ? ? ? 13 GLY B O 1 +ATOM 2073 N N . LYS B 1 15 ? 43.403 54.810 162.626 1.00 28.68 ? ? ? ? ? ? 14 LYS B N 1 +ATOM 2074 C CA . LYS B 1 15 ? 43.381 54.633 164.079 1.00 30.23 ? ? ? ? ? ? 14 LYS B CA 1 +ATOM 2075 C C . LYS B 1 15 ? 43.741 53.219 164.486 1.00 30.97 ? ? ? ? ? ? 14 LYS B C 1 +ATOM 2076 O O . LYS B 1 15 ? 44.302 53.031 165.558 1.00 35.48 ? ? ? ? ? ? 14 LYS B O 1 +ATOM 2077 C CB . LYS B 1 15 ? 42.051 55.075 164.717 1.00 32.49 ? ? ? ? ? ? 14 LYS B CB 1 +ATOM 2078 N N . VAL B 1 16 ? 43.513 52.234 163.620 1.00 29.52 ? ? ? ? ? ? 15 VAL B N 1 +ATOM 2079 C CA . VAL B 1 16 ? 43.728 50.835 163.993 1.00 28.56 ? ? ? ? ? ? 15 VAL B CA 1 +ATOM 2080 C C . VAL B 1 16 ? 45.054 50.241 163.538 1.00 29.31 ? ? ? ? ? ? 15 VAL B C 1 +ATOM 2081 O O . VAL B 1 16 ? 45.556 49.317 164.193 1.00 27.45 ? ? ? ? ? ? 15 VAL B O 1 +ATOM 2082 C CB . VAL B 1 16 ? 42.542 49.857 163.538 1.00 29.05 ? ? ? ? ? ? 15 VAL B CB 1 +ATOM 2083 C CG1 . VAL B 1 16 ? 41.213 50.370 163.987 1.00 27.08 ? ? ? ? ? ? 15 VAL B CG1 1 +ATOM 2084 C CG2 . VAL B 1 16 ? 42.517 49.604 162.047 1.00 26.64 ? ? ? ? ? ? 15 VAL B CG2 1 +ATOM 2085 N N . LYS B 1 17 ? 45.633 50.747 162.449 1.00 30.95 ? ? ? ? ? ? 16 LYS B N 1 +ATOM 2086 C CA . LYS B 1 17 ? 46.671 49.969 161.735 1.00 34.83 ? ? ? ? ? ? 16 LYS B CA 1 +ATOM 2087 C C . LYS B 1 17 ? 47.992 49.698 162.484 1.00 35.09 ? ? ? ? ? ? 16 LYS B C 1 +ATOM 2088 O O . LYS B 1 17 ? 48.688 48.711 162.183 1.00 35.42 ? ? ? ? ? ? 16 LYS B O 1 +ATOM 2089 C CB . LYS B 1 17 ? 46.937 50.501 160.314 1.00 35.49 ? ? ? ? ? ? 16 LYS B CB 1 +ATOM 2090 C CG . LYS B 1 17 ? 47.883 51.697 160.169 1.00 39.56 ? ? ? ? ? ? 16 LYS B CG 1 +ATOM 2091 C CD . LYS B 1 17 ? 48.506 51.725 158.747 1.00 40.79 ? ? ? ? ? ? 16 LYS B CD 1 +ATOM 2092 C CE . LYS B 1 17 ? 49.652 52.723 158.672 1.00 50.57 ? ? ? ? ? ? 16 LYS B CE 1 +ATOM 2093 N NZ . LYS B 1 17 ? 49.146 54.113 158.800 1.00 56.36 ? ? ? ? ? ? 16 LYS B NZ 1 +ATOM 2094 N N . GLU B 1 18 ? 48.322 50.536 163.460 1.00 36.21 ? ? ? ? ? ? 17 GLU B N 1 +ATOM 2095 C CA . GLU B 1 18 ? 49.571 50.362 164.230 1.00 40.18 ? ? ? ? ? ? 17 GLU B CA 1 +ATOM 2096 C C . GLU B 1 18 ? 49.372 49.635 165.561 1.00 38.58 ? ? ? ? ? ? 17 GLU B C 1 +ATOM 2097 O O . GLU B 1 18 ? 50.354 49.334 166.242 1.00 39.33 ? ? ? ? ? ? 17 GLU B O 1 +ATOM 2098 C CB . GLU B 1 18 ? 50.237 51.718 164.468 1.00 41.72 ? ? ? ? ? ? 17 GLU B CB 1 +ATOM 2099 C CG . GLU B 1 18 ? 50.642 52.428 163.161 1.00 49.56 ? ? ? ? ? ? 17 GLU B CG 1 +ATOM 2100 C CD . GLU B 1 18 ? 51.446 53.696 163.383 1.00 51.95 ? ? ? ? ? ? 17 GLU B CD 1 +ATOM 2101 O OE1 . GLU B 1 18 ? 52.528 53.638 164.014 1.00 60.19 ? ? ? ? ? ? 17 GLU B OE1 1 +ATOM 2102 O OE2 . GLU B 1 18 ? 50.992 54.756 162.903 1.00 61.62 ? ? ? ? ? ? 17 GLU B OE2 1 +ATOM 2103 N N . LEU B 1 19 ? 48.112 49.338 165.905 1.00 35.55 ? ? ? ? ? ? 18 LEU B N 1 +ATOM 2104 C CA . LEU B 1 19 ? 47.758 48.734 167.201 1.00 32.94 ? ? ? ? ? ? 18 LEU B CA 1 +ATOM 2105 C C . LEU B 1 19 ? 47.585 47.210 167.134 1.00 31.74 ? ? ? ? ? ? 18 LEU B C 1 +ATOM 2106 O O . LEU B 1 19 ? 47.104 46.674 166.129 1.00 32.58 ? ? ? ? ? ? 18 LEU B O 1 +ATOM 2107 C CB . LEU B 1 19 ? 46.474 49.365 167.737 1.00 31.34 ? ? ? ? ? ? 18 LEU B CB 1 +ATOM 2108 C CG . LEU B 1 19 ? 46.479 50.877 167.876 1.00 30.21 ? ? ? ? ? ? 18 LEU B CG 1 +ATOM 2109 C CD1 . LEU B 1 19 ? 45.137 51.403 168.392 1.00 25.57 ? ? ? ? ? ? 18 LEU B CD1 1 +ATOM 2110 C CD2 . LEU B 1 19 ? 47.614 51.295 168.818 1.00 31.70 ? ? ? ? ? ? 18 LEU B CD2 1 +ATOM 2111 N N . LYS B 1 20 ? 47.974 46.526 168.209 1.00 30.24 ? ? ? ? ? ? 19 LYS B N 1 +ATOM 2112 C CA . LYS B 1 20 ? 47.814 45.087 168.336 1.00 29.69 ? ? ? ? ? ? 19 LYS B CA 1 +ATOM 2113 C C . LYS B 1 20 ? 46.438 44.793 168.946 1.00 27.13 ? ? ? ? ? ? 19 LYS B C 1 +ATOM 2114 O O . LYS B 1 20 ? 46.049 45.434 169.918 1.00 24.28 ? ? ? ? ? ? 19 LYS B O 1 +ATOM 2115 C CB . LYS B 1 20 ? 48.926 44.506 169.226 1.00 31.64 ? ? ? ? ? ? 19 LYS B CB 1 +ATOM 2116 C CG . LYS B 1 20 ? 48.705 43.047 169.739 1.00 38.72 ? ? ? ? ? ? 19 LYS B CG 1 +ATOM 2117 C CD . LYS B 1 20 ? 49.632 42.038 169.054 1.00 48.07 ? ? ? ? ? ? 19 LYS B CD 1 +ATOM 2118 C CE . LYS B 1 20 ? 49.640 40.663 169.776 1.00 53.93 ? ? ? ? ? ? 19 LYS B CE 1 +ATOM 2119 N NZ . LYS B 1 20 ? 48.529 39.753 169.326 1.00 55.16 ? ? ? ? ? ? 19 LYS B NZ 1 +ATOM 2120 N N . TYR B 1 21 ? 45.698 43.855 168.353 1.00 25.29 ? ? ? ? ? ? 20 TYR B N 1 +ATOM 2121 C CA . TYR B 1 21 ? 44.373 43.476 168.860 1.00 24.24 ? ? ? ? ? ? 20 TYR B CA 1 +ATOM 2122 C C . TYR B 1 21 ? 44.442 42.034 169.293 1.00 23.93 ? ? ? ? ? ? 20 TYR B C 1 +ATOM 2123 O O . TYR B 1 21 ? 44.962 41.193 168.574 1.00 26.28 ? ? ? ? ? ? 20 TYR B O 1 +ATOM 2124 C CB . TYR B 1 21 ? 43.267 43.692 167.815 1.00 24.24 ? ? ? ? ? ? 20 TYR B CB 1 +ATOM 2125 C CG . TYR B 1 21 ? 42.936 45.136 167.637 1.00 22.47 ? ? ? ? ? ? 20 TYR B CG 1 +ATOM 2126 C CD1 . TYR B 1 21 ? 43.615 45.910 166.725 1.00 19.36 ? ? ? ? ? ? 20 TYR B CD1 1 +ATOM 2127 C CD2 . TYR B 1 21 ? 41.958 45.745 168.428 1.00 22.24 ? ? ? ? ? ? 20 TYR B CD2 1 +ATOM 2128 C CE1 . TYR B 1 21 ? 43.350 47.245 166.588 1.00 20.30 ? ? ? ? ? ? 20 TYR B CE1 1 +ATOM 2129 C CE2 . TYR B 1 21 ? 41.683 47.064 168.300 1.00 18.37 ? ? ? ? ? ? 20 TYR B CE2 1 +ATOM 2130 C CZ . TYR B 1 21 ? 42.391 47.825 167.385 1.00 20.22 ? ? ? ? ? ? 20 TYR B CZ 1 +ATOM 2131 O OH . TYR B 1 21 ? 42.104 49.175 167.256 1.00 22.71 ? ? ? ? ? ? 20 TYR B OH 1 +ATOM 2132 N N . ASP B 1 22 ? 43.963 41.754 170.492 1.00 24.70 ? ? ? ? ? ? 21 ASP B N 1 +ATOM 2133 C CA . ASP B 1 22 ? 44.082 40.427 171.088 1.00 26.20 ? ? ? ? ? ? 21 ASP B CA 1 +ATOM 2134 C C . ASP B 1 22 ? 42.850 39.573 170.792 1.00 26.23 ? ? ? ? ? ? 21 ASP B C 1 +ATOM 2135 O O . ASP B 1 22 ? 42.966 38.410 170.381 1.00 27.70 ? ? ? ? ? ? 21 ASP B O 1 +ATOM 2136 C CB . ASP B 1 22 ? 44.251 40.576 172.607 1.00 28.41 ? ? ? ? ? ? 21 ASP B CB 1 +ATOM 2137 C CG . ASP B 1 22 ? 45.564 41.294 172.986 1.00 33.13 ? ? ? ? ? ? 21 ASP B CG 1 +ATOM 2138 O OD1 . ASP B 1 22 ? 46.630 40.761 172.640 1.00 36.49 ? ? ? ? ? ? 21 ASP B OD1 1 +ATOM 2139 O OD2 . ASP B 1 22 ? 45.532 42.384 173.620 1.00 38.95 ? ? ? ? ? ? 21 ASP B OD2 1 +ATOM 2140 N N . VAL B 1 23 ? 41.672 40.148 171.008 1.00 24.79 ? ? ? ? ? ? 22 VAL B N 1 +ATOM 2141 C CA . VAL B 1 23 ? 40.397 39.423 170.765 1.00 23.10 ? ? ? ? ? ? 22 VAL B CA 1 +ATOM 2142 C C . VAL B 1 23 ? 39.507 40.202 169.817 1.00 21.74 ? ? ? ? ? ? 22 VAL B C 1 +ATOM 2143 O O . VAL B 1 23 ? 39.431 41.426 169.906 1.00 20.71 ? ? ? ? ? ? 22 VAL B O 1 +ATOM 2144 C CB . VAL B 1 23 ? 39.642 39.129 172.078 1.00 25.42 ? ? ? ? ? ? 22 VAL B CB 1 +ATOM 2145 C CG1 . VAL B 1 23 ? 38.410 38.191 171.837 1.00 20.93 ? ? ? ? ? ? 22 VAL B CG1 1 +ATOM 2146 C CG2 . VAL B 1 23 ? 40.569 38.510 173.095 1.00 22.94 ? ? ? ? ? ? 22 VAL B CG2 1 +ATOM 2147 N N . ILE B 1 24 ? 38.843 39.485 168.902 1.00 20.04 ? ? ? ? ? ? 23 ILE B N 1 +ATOM 2148 C CA . ILE B 1 24 ? 37.791 40.071 168.075 1.00 18.33 ? ? ? ? ? ? 23 ILE B CA 1 +ATOM 2149 C C . ILE B 1 24 ? 36.456 39.687 168.698 1.00 18.13 ? ? ? ? ? ? 23 ILE B C 1 +ATOM 2150 O O . ILE B 1 24 ? 36.286 38.555 169.137 1.00 18.74 ? ? ? ? ? ? 23 ILE B O 1 +ATOM 2151 C CB . ILE B 1 24 ? 37.837 39.577 166.596 1.00 19.54 ? ? ? ? ? ? 23 ILE B CB 1 +ATOM 2152 C CG1 . ILE B 1 24 ? 39.242 39.794 165.958 1.00 19.97 ? ? ? ? ? ? 23 ILE B CG1 1 +ATOM 2153 C CG2 . ILE B 1 24 ? 36.658 40.233 165.770 1.00 15.61 ? ? ? ? ? ? 23 ILE B CG2 1 +ATOM 2154 C CD1 . ILE B 1 24 ? 39.721 41.227 165.987 1.00 24.46 ? ? ? ? ? ? 23 ILE B CD1 1 +ATOM 2155 N N . ILE B 1 25 ? 35.522 40.634 168.764 1.00 17.80 ? ? ? ? ? ? 24 ILE B N 1 +ATOM 2156 C CA . ILE B 1 25 ? 34.192 40.390 169.307 1.00 17.08 ? ? ? ? ? ? 24 ILE B CA 1 +ATOM 2157 C C . ILE B 1 25 ? 33.197 40.664 168.191 1.00 17.28 ? ? ? ? ? ? 24 ILE B C 1 +ATOM 2158 O O . ILE B 1 25 ? 33.223 41.754 167.569 1.00 17.35 ? ? ? ? ? ? 24 ILE B O 1 +ATOM 2159 C CB . ILE B 1 25 ? 33.860 41.353 170.497 1.00 19.24 ? ? ? ? ? ? 24 ILE B CB 1 +ATOM 2160 C CG1 . ILE B 1 25 ? 35.049 41.485 171.481 1.00 22.88 ? ? ? ? ? ? 24 ILE B CG1 1 +ATOM 2161 C CG2 . ILE B 1 25 ? 32.534 40.931 171.176 1.00 16.45 ? ? ? ? ? ? 24 ILE B CG2 1 +ATOM 2162 C CD1 . ILE B 1 25 ? 35.482 40.137 172.206 1.00 28.08 ? ? ? ? ? ? 24 ILE B CD1 1 +ATOM 2163 N N . LEU B 1 26 ? 32.332 39.688 167.930 1.00 17.18 ? ? ? ? ? ? 25 LEU B N 1 +ATOM 2164 C CA . LEU B 1 26 ? 31.328 39.801 166.892 1.00 17.40 ? ? ? ? ? ? 25 LEU B CA 1 +ATOM 2165 C C . LEU B 1 26 ? 29.902 39.874 167.489 1.00 17.76 ? ? ? ? ? ? 25 LEU B C 1 +ATOM 2166 O O . LEU B 1 26 ? 29.342 38.853 167.900 1.00 18.79 ? ? ? ? ? ? 25 LEU B O 1 +ATOM 2167 C CB . LEU B 1 26 ? 31.479 38.622 165.926 1.00 18.76 ? ? ? ? ? ? 25 LEU B CB 1 +ATOM 2168 C CG . LEU B 1 26 ? 30.543 38.547 164.717 1.00 15.76 ? ? ? ? ? ? 25 LEU B CG 1 +ATOM 2169 C CD1 . LEU B 1 26 ? 30.768 39.689 163.742 1.00 13.14 ? ? ? ? ? ? 25 LEU B CD1 1 +ATOM 2170 C CD2 . LEU B 1 26 ? 30.691 37.172 164.020 1.00 15.61 ? ? ? ? ? ? 25 LEU B CD2 1 +ATOM 2171 N N . PRO B 1 27 ? 29.309 41.085 167.549 1.00 18.60 ? ? ? ? ? ? 26 PRO B N 1 +ATOM 2172 C CA . PRO B 1 27 ? 27.907 41.180 168.008 1.00 18.79 ? ? ? ? ? ? 26 PRO B CA 1 +ATOM 2173 C C . PRO B 1 27 ? 26.997 40.602 166.964 1.00 18.59 ? ? ? ? ? ? 26 PRO B C 1 +ATOM 2174 O O . PRO B 1 27 ? 27.166 40.909 165.804 1.00 18.61 ? ? ? ? ? ? 26 PRO B O 1 +ATOM 2175 C CB . PRO B 1 27 ? 27.690 42.698 168.120 1.00 17.47 ? ? ? ? ? ? 26 PRO B CB 1 +ATOM 2176 C CG . PRO B 1 27 ? 29.182 43.260 168.140 1.00 16.97 ? ? ? ? ? ? 26 PRO B CG 1 +ATOM 2177 C CD . PRO B 1 27 ? 29.825 42.423 167.192 1.00 17.75 ? ? ? ? ? ? 26 PRO B CD 1 +ATOM 2178 N N . TRP B 1 28 ? 26.055 39.755 167.373 1.00 18.83 ? ? ? ? ? ? 27 TRP B N 1 +ATOM 2179 C CA . TRP B 1 28 ? 25.188 39.083 166.429 1.00 17.48 ? ? ? ? ? ? 27 TRP B CA 1 +ATOM 2180 C C . TRP B 1 28 ? 23.740 39.195 166.910 1.00 16.58 ? ? ? ? ? ? 27 TRP B C 1 +ATOM 2181 O O . TRP B 1 28 ? 23.370 38.710 167.976 1.00 16.61 ? ? ? ? ? ? 27 TRP B O 1 +ATOM 2182 C CB . TRP B 1 28 ? 25.640 37.625 166.210 1.00 17.87 ? ? ? ? ? ? 27 TRP B CB 1 +ATOM 2183 C CG . TRP B 1 28 ? 25.140 37.018 164.907 1.00 15.40 ? ? ? ? ? ? 27 TRP B CG 1 +ATOM 2184 C CD1 . TRP B 1 28 ? 23.854 37.048 164.447 1.00 13.83 ? ? ? ? ? ? 27 TRP B CD1 1 +ATOM 2185 C CD2 . TRP B 1 28 ? 25.901 36.291 163.914 1.00 12.06 ? ? ? ? ? ? 27 TRP B CD2 1 +ATOM 2186 N NE1 . TRP B 1 28 ? 23.769 36.405 163.241 1.00 13.05 ? ? ? ? ? ? 27 TRP B NE1 1 +ATOM 2187 C CE2 . TRP B 1 28 ? 25.007 35.932 162.892 1.00 16.58 ? ? ? ? ? ? 27 TRP B CE2 1 +ATOM 2188 C CE3 . TRP B 1 28 ? 27.248 35.929 163.779 1.00 18.13 ? ? ? ? ? ? 27 TRP B CE3 1 +ATOM 2189 C CZ2 . TRP B 1 28 ? 25.410 35.208 161.759 1.00 17.27 ? ? ? ? ? ? 27 TRP B CZ2 1 +ATOM 2190 C CZ3 . TRP B 1 28 ? 27.644 35.212 162.652 1.00 15.99 ? ? ? ? ? ? 27 TRP B CZ3 1 +ATOM 2191 C CH2 . TRP B 1 28 ? 26.729 34.865 161.657 1.00 15.52 ? ? ? ? ? ? 27 TRP B CH2 1 +ATOM 2192 N N . GLY B 1 29 ? 22.937 39.889 166.120 1.00 16.17 ? ? ? ? ? ? 28 GLY B N 1 +ATOM 2193 C CA . GLY B 1 29 ? 21.580 40.167 166.495 1.00 16.94 ? ? ? ? ? ? 28 GLY B CA 1 +ATOM 2194 C C . GLY B 1 29 ? 20.554 39.561 165.575 1.00 16.70 ? ? ? ? ? ? 28 GLY B C 1 +ATOM 2195 O O . GLY B 1 29 ? 20.634 38.387 165.196 1.00 16.49 ? ? ? ? ? ? 28 GLY B O 1 +ATOM 2196 N N . ALA B 1 30 ? 19.574 40.403 165.261 1.00 17.66 ? ? ? ? ? ? 29 ALA B N 1 +ATOM 2197 C CA . ALA B 1 30 ? 18.373 40.062 164.501 1.00 17.02 ? ? ? ? ? ? 29 ALA B CA 1 +ATOM 2198 C C . ALA B 1 30 ? 17.717 41.361 164.079 1.00 17.58 ? ? ? ? ? ? 29 ALA B C 1 +ATOM 2199 O O . ALA B 1 30 ? 17.957 42.405 164.687 1.00 18.60 ? ? ? ? ? ? 29 ALA B O 1 +ATOM 2200 C CB . ALA B 1 30 ? 17.432 39.260 165.346 1.00 13.57 ? ? ? ? ? ? 29 ALA B CB 1 +ATOM 2201 N N . THR B 1 31 ? 16.892 41.287 163.041 1.00 18.72 ? ? ? ? ? ? 30 THR B N 1 +ATOM 2202 C CA . THR B 1 31 ? 16.010 42.359 162.623 1.00 18.17 ? ? ? ? ? ? 30 THR B CA 1 +ATOM 2203 C C . THR B 1 31 ? 14.586 41.902 162.918 1.00 19.79 ? ? ? ? ? ? 30 THR B C 1 +ATOM 2204 O O . THR B 1 31 ? 14.015 41.088 162.206 1.00 19.25 ? ? ? ? ? ? 30 THR B O 1 +ATOM 2205 C CB . THR B 1 31 ? 16.202 42.656 161.133 1.00 18.31 ? ? ? ? ? ? 30 THR B CB 1 +ATOM 2206 O OG1 . THR B 1 31 ? 17.565 42.991 160.884 1.00 15.68 ? ? ? ? ? ? 30 THR B OG1 1 +ATOM 2207 C CG2 . THR B 1 31 ? 15.328 43.816 160.674 1.00 14.42 ? ? ? ? ? ? 30 THR B CG2 1 +ATOM 2208 N N . GLU B 1 32 ? 14.034 42.373 164.028 1.00 20.41 ? ? ? ? ? ? 31 GLU B N 1 +ATOM 2209 C CA . GLU B 1 32 ? 12.938 41.657 164.699 1.00 20.74 ? ? ? ? ? ? 31 GLU B CA 1 +ATOM 2210 C C . GLU B 1 32 ? 12.083 42.615 165.505 1.00 20.91 ? ? ? ? ? ? 31 GLU B C 1 +ATOM 2211 O O . GLU B 1 32 ? 12.627 43.386 166.313 1.00 21.95 ? ? ? ? ? ? 31 GLU B O 1 +ATOM 2212 C CB . GLU B 1 32 ? 13.544 40.607 165.651 1.00 22.03 ? ? ? ? ? ? 31 GLU B CB 1 +ATOM 2213 C CG . GLU B 1 32 ? 12.506 39.803 166.409 1.00 18.79 ? ? ? ? ? ? 31 GLU B CG 1 +ATOM 2214 C CD . GLU B 1 32 ? 13.096 38.850 167.414 1.00 25.66 ? ? ? ? ? ? 31 GLU B CD 1 +ATOM 2215 O OE1 . GLU B 1 32 ? 14.179 39.173 167.960 1.00 20.05 ? ? ? ? ? ? 31 GLU B OE1 1 +ATOM 2216 O OE2 . GLU B 1 32 ? 12.450 37.793 167.690 1.00 22.39 ? ? ? ? ? ? 31 GLU B OE2 1 +ATOM 2217 N N . PRO B 1 33 ? 10.755 42.595 165.305 1.00 22.50 ? ? ? ? ? ? 32 PRO B N 1 +ATOM 2218 C CA . PRO B 1 33 ? 9.932 43.460 166.143 1.00 21.86 ? ? ? ? ? ? 32 PRO B CA 1 +ATOM 2219 C C . PRO B 1 33 ? 10.033 43.056 167.612 1.00 21.45 ? ? ? ? ? ? 32 PRO B C 1 +ATOM 2220 O O . PRO B 1 33 ? 10.103 41.844 167.943 1.00 20.06 ? ? ? ? ? ? 32 PRO B O 1 +ATOM 2221 C CB . PRO B 1 33 ? 8.512 43.228 165.623 1.00 22.05 ? ? ? ? ? ? 32 PRO B CB 1 +ATOM 2222 C CG . PRO B 1 33 ? 8.663 42.600 164.288 1.00 25.00 ? ? ? ? ? ? 32 PRO B CG 1 +ATOM 2223 C CD . PRO B 1 33 ? 9.943 41.831 164.340 1.00 19.95 ? ? ? ? ? ? 32 PRO B CD 1 +ATOM 2224 N N . HIS B 1 34 ? 10.056 44.077 168.478 1.00 20.81 ? ? ? ? ? ? 33 HIS B N 1 +ATOM 2225 C CA . HIS B 1 34 ? 10.208 43.893 169.922 1.00 19.78 ? ? ? ? ? ? 33 HIS B CA 1 +ATOM 2226 C C . HIS B 1 34 ? 9.064 44.581 170.662 1.00 20.55 ? ? ? ? ? ? 33 HIS B C 1 +ATOM 2227 O O . HIS B 1 34 ? 9.203 45.721 171.087 1.00 18.39 ? ? ? ? ? ? 33 HIS B O 1 +ATOM 2228 C CB . HIS B 1 34 ? 11.523 44.493 170.378 1.00 18.61 ? ? ? ? ? ? 33 HIS B CB 1 +ATOM 2229 C CG . HIS B 1 34 ? 12.679 43.588 170.225 1.00 18.27 ? ? ? ? ? ? 33 HIS B CG 1 +ATOM 2230 N ND1 . HIS B 1 34 ? 13.204 43.261 168.995 1.00 19.01 ? ? ? ? ? ? 33 HIS B ND1 1 +ATOM 2231 C CD2 . HIS B 1 34 ? 13.423 42.940 171.142 1.00 19.13 ? ? ? ? ? ? 33 HIS B CD2 1 +ATOM 2232 C CE1 . HIS B 1 34 ? 14.235 42.456 169.166 1.00 20.31 ? ? ? ? ? ? 33 HIS B CE1 1 +ATOM 2233 N NE2 . HIS B 1 34 ? 14.385 42.238 170.457 1.00 21.74 ? ? ? ? ? ? 33 HIS B NE2 1 +ATOM 2234 N N . ASN B 1 35 ? 7.946 43.882 170.817 1.00 20.83 ? ? ? ? ? ? 34 ASN B N 1 +ATOM 2235 C CA . ASN B 1 35 ? 6.732 44.502 171.314 1.00 22.31 ? ? ? ? ? ? 34 ASN B CA 1 +ATOM 2236 C C . ASN B 1 35 ? 6.428 45.740 170.420 1.00 23.76 ? ? ? ? ? ? 34 ASN B C 1 +ATOM 2237 O O . ASN B 1 35 ? 6.854 45.765 169.271 1.00 24.52 ? ? ? ? ? ? 34 ASN B O 1 +ATOM 2238 C CB . ASN B 1 35 ? 6.890 44.843 172.811 1.00 22.49 ? ? ? ? ? ? 34 ASN B CB 1 +ATOM 2239 C CG . ASN B 1 35 ? 5.557 45.048 173.530 1.00 21.24 ? ? ? ? ? ? 34 ASN B CG 1 +ATOM 2240 O OD1 . ASN B 1 35 ? 4.655 45.698 172.997 1.00 18.07 ? ? ? ? ? ? 34 ASN B OD1 1 +ATOM 2241 N ND2 . ASN B 1 35 ? 5.440 44.507 174.760 1.00 18.91 ? ? ? ? ? ? 34 ASN B ND2 1 +ATOM 2242 N N . LEU B 1 36 ? 5.713 46.744 170.920 1.00 23.52 ? ? ? ? ? ? 35 LEU B N 1 +ATOM 2243 C CA . LEU B 1 36 ? 5.471 47.943 170.150 1.00 23.26 ? ? ? ? ? ? 35 LEU B CA 1 +ATOM 2244 C C . LEU B 1 36 ? 6.542 49.038 170.393 1.00 22.17 ? ? ? ? ? ? 35 LEU B C 1 +ATOM 2245 O O . LEU B 1 36 ? 6.712 49.930 169.584 1.00 24.69 ? ? ? ? ? ? 35 LEU B O 1 +ATOM 2246 C CB . LEU B 1 36 ? 4.081 48.502 170.462 1.00 24.53 ? ? ? ? ? ? 35 LEU B CB 1 +ATOM 2247 C CG . LEU B 1 36 ? 2.816 47.655 170.252 1.00 24.71 ? ? ? ? ? ? 35 LEU B CG 1 +ATOM 2248 C CD1 . LEU B 1 36 ? 1.632 48.390 170.849 1.00 23.93 ? ? ? ? ? ? 35 LEU B CD1 1 +ATOM 2249 C CD2 . LEU B 1 36 ? 2.551 47.359 168.775 1.00 23.90 ? ? ? ? ? ? 35 LEU B CD2 1 +ATOM 2250 N N . HIS B 1 37 ? 7.300 48.936 171.470 1.00 22.31 ? ? ? ? ? ? 36 HIS B N 1 +ATOM 2251 C CA . HIS B 1 37 ? 8.117 50.052 171.948 1.00 22.29 ? ? ? ? ? ? 36 HIS B CA 1 +ATOM 2252 C C . HIS B 1 37 ? 9.614 49.964 171.597 1.00 22.32 ? ? ? ? ? ? 36 HIS B C 1 +ATOM 2253 O O . HIS B 1 37 ? 10.272 50.979 171.488 1.00 22.71 ? ? ? ? ? ? 36 HIS B O 1 +ATOM 2254 C CB . HIS B 1 37 ? 7.926 50.218 173.465 1.00 22.55 ? ? ? ? ? ? 36 HIS B CB 1 +ATOM 2255 C CG . HIS B 1 37 ? 8.503 49.085 174.267 1.00 21.13 ? ? ? ? ? ? 36 HIS B CG 1 +ATOM 2256 N ND1 . HIS B 1 37 ? 8.118 47.777 174.090 1.00 17.90 ? ? ? ? ? ? 36 HIS B ND1 1 +ATOM 2257 C CD2 . HIS B 1 37 ? 9.438 49.071 175.242 1.00 17.31 ? ? ? ? ? ? 36 HIS B CD2 1 +ATOM 2258 C CE1 . HIS B 1 37 ? 8.810 47.003 174.899 1.00 20.83 ? ? ? ? ? ? 36 HIS B CE1 1 +ATOM 2259 N NE2 . HIS B 1 37 ? 9.630 47.761 175.601 1.00 18.87 ? ? ? ? ? ? 36 HIS B NE2 1 +ATOM 2260 N N . LEU B 1 38 ? 10.155 48.764 171.417 1.00 21.37 ? ? ? ? ? ? 37 LEU B N 1 +ATOM 2261 C CA . LEU B 1 38 ? 11.610 48.620 171.312 1.00 20.67 ? ? ? ? ? ? 37 LEU B CA 1 +ATOM 2262 C C . LEU B 1 38 ? 12.098 48.572 169.852 1.00 20.13 ? ? ? ? ? ? 37 LEU B C 1 +ATOM 2263 O O . LEU B 1 38 ? 11.352 48.132 168.949 1.00 19.60 ? ? ? ? ? ? 37 LEU B O 1 +ATOM 2264 C CB . LEU B 1 38 ? 12.097 47.384 172.080 1.00 21.50 ? ? ? ? ? ? 37 LEU B CB 1 +ATOM 2265 C CG . LEU B 1 38 ? 12.451 47.464 173.575 1.00 19.27 ? ? ? ? ? ? 37 LEU B CG 1 +ATOM 2266 C CD1 . LEU B 1 38 ? 12.660 46.068 174.115 1.00 17.53 ? ? ? ? ? ? 37 LEU B CD1 1 +ATOM 2267 C CD2 . LEU B 1 38 ? 13.682 48.333 173.811 1.00 20.67 ? ? ? ? ? ? 37 LEU B CD2 1 +ATOM 2268 N N . PRO B 1 39 ? 13.332 49.045 169.606 1.00 20.72 ? ? ? ? ? ? 38 PRO B N 1 +ATOM 2269 C CA . PRO B 1 39 ? 13.798 49.020 168.203 1.00 21.09 ? ? ? ? ? ? 38 PRO B CA 1 +ATOM 2270 C C . PRO B 1 39 ? 13.844 47.630 167.548 1.00 19.22 ? ? ? ? ? ? 38 PRO B C 1 +ATOM 2271 O O . PRO B 1 39 ? 14.153 46.638 168.193 1.00 18.29 ? ? ? ? ? ? 38 PRO B O 1 +ATOM 2272 C CB . PRO B 1 39 ? 15.219 49.609 168.288 1.00 22.99 ? ? ? ? ? ? 38 PRO B CB 1 +ATOM 2273 C CG . PRO B 1 39 ? 15.297 50.307 169.632 1.00 21.78 ? ? ? ? ? ? 38 PRO B CG 1 +ATOM 2274 C CD . PRO B 1 39 ? 14.336 49.636 170.519 1.00 20.36 ? ? ? ? ? ? 38 PRO B CD 1 +ATOM 2275 N N . TYR B 1 40 ? 13.545 47.596 166.258 1.00 19.27 ? ? ? ? ? ? 39 TYR B N 1 +ATOM 2276 C CA . TYR B 1 40 ? 13.815 46.425 165.408 1.00 18.89 ? ? ? ? ? ? 39 TYR B CA 1 +ATOM 2277 C C . TYR B 1 40 ? 15.237 45.862 165.537 1.00 18.20 ? ? ? ? ? ? 39 TYR B C 1 +ATOM 2278 O O . TYR B 1 40 ? 15.454 44.635 165.444 1.00 18.75 ? ? ? ? ? ? 39 TYR B O 1 +ATOM 2279 C CB . TYR B 1 40 ? 13.544 46.751 163.947 1.00 17.73 ? ? ? ? ? ? 39 TYR B CB 1 +ATOM 2280 C CG . TYR B 1 40 ? 12.114 46.573 163.504 1.00 18.83 ? ? ? ? ? ? 39 TYR B CG 1 +ATOM 2281 C CD1 . TYR B 1 40 ? 11.185 47.610 163.637 1.00 16.21 ? ? ? ? ? ? 39 TYR B CD1 1 +ATOM 2282 C CD2 . TYR B 1 40 ? 11.706 45.402 162.908 1.00 18.17 ? ? ? ? ? ? 39 TYR B CD2 1 +ATOM 2283 C CE1 . TYR B 1 40 ? 9.864 47.472 163.181 1.00 21.48 ? ? ? ? ? ? 39 TYR B CE1 1 +ATOM 2284 C CE2 . TYR B 1 40 ? 10.393 45.245 162.455 1.00 20.62 ? ? ? ? ? ? 39 TYR B CE2 1 +ATOM 2285 C CZ . TYR B 1 40 ? 9.466 46.284 162.607 1.00 22.43 ? ? ? ? ? ? 39 TYR B CZ 1 +ATOM 2286 O OH . TYR B 1 40 ? 8.162 46.149 162.140 1.00 21.77 ? ? ? ? ? ? 39 TYR B OH 1 +ATOM 2287 N N . LEU B 1 41 ? 16.194 46.753 165.770 1.00 18.00 ? ? ? ? ? ? 40 LEU B N 1 +ATOM 2288 C CA . LEU B 1 41 ? 17.592 46.371 165.898 1.00 17.69 ? ? ? ? ? ? 40 LEU B CA 1 +ATOM 2289 C C . LEU B 1 41 ? 18.080 46.196 167.334 1.00 17.98 ? ? ? ? ? ? 40 LEU B C 1 +ATOM 2290 O O . LEU B 1 41 ? 19.282 46.105 167.543 1.00 18.24 ? ? ? ? ? ? 40 LEU B O 1 +ATOM 2291 C CB . LEU B 1 41 ? 18.492 47.364 165.151 1.00 19.02 ? ? ? ? ? ? 40 LEU B CB 1 +ATOM 2292 C CG . LEU B 1 41 ? 18.475 47.352 163.614 1.00 21.97 ? ? ? ? ? ? 40 LEU B CG 1 +ATOM 2293 C CD1 . LEU B 1 41 ? 19.562 48.304 163.141 1.00 18.85 ? ? ? ? ? ? 40 LEU B CD1 1 +ATOM 2294 C CD2 . LEU B 1 41 ? 18.643 45.973 162.994 1.00 15.57 ? ? ? ? ? ? 40 LEU B CD2 1 +ATOM 2295 N N . THR B 1 42 ? 17.161 46.050 168.297 1.00 18.68 ? ? ? ? ? ? 41 THR B N 1 +ATOM 2296 C CA . THR B 1 42 ? 17.525 45.816 169.726 1.00 18.49 ? ? ? ? ? ? 41 THR B CA 1 +ATOM 2297 C C . THR B 1 42 ? 18.614 44.772 169.930 1.00 18.95 ? ? ? ? ? ? 41 THR B C 1 +ATOM 2298 O O . THR B 1 42 ? 19.569 45.008 170.670 1.00 18.30 ? ? ? ? ? ? 41 THR B O 1 +ATOM 2299 C CB . THR B 1 42 ? 16.274 45.426 170.554 1.00 19.94 ? ? ? ? ? ? 41 THR B CB 1 +ATOM 2300 O OG1 . THR B 1 42 ? 15.403 46.541 170.565 1.00 17.55 ? ? ? ? ? ? 41 THR B OG1 1 +ATOM 2301 C CG2 . THR B 1 42 ? 16.587 45.016 172.024 1.00 14.06 ? ? ? ? ? ? 41 THR B CG2 1 +ATOM 2302 N N . ASP B 1 43 ? 18.484 43.637 169.238 1.00 19.08 ? ? ? ? ? ? 42 ASP B N 1 +ATOM 2303 C CA . ASP B 1 43 ? 19.371 42.518 169.425 1.00 17.77 ? ? ? ? ? ? 42 ASP B CA 1 +ATOM 2304 C C . ASP B 1 43 ? 20.742 42.715 168.882 1.00 18.11 ? ? ? ? ? ? 42 ASP B C 1 +ATOM 2305 O O . ASP B 1 43 ? 21.588 41.925 169.195 1.00 18.26 ? ? ? ? ? ? 42 ASP B O 1 +ATOM 2306 C CB . ASP B 1 43 ? 18.776 41.253 168.806 1.00 18.83 ? ? ? ? ? ? 42 ASP B CB 1 +ATOM 2307 C CG . ASP B 1 43 ? 17.636 40.722 169.588 1.00 20.44 ? ? ? ? ? ? 42 ASP B CG 1 +ATOM 2308 O OD1 . ASP B 1 43 ? 17.324 41.326 170.656 1.00 20.74 ? ? ? ? ? ? 42 ASP B OD1 1 +ATOM 2309 O OD2 . ASP B 1 43 ? 17.034 39.712 169.129 1.00 21.97 ? ? ? ? ? ? 42 ASP B OD2 1 +ATOM 2310 N N . CYS B 1 44 ? 20.945 43.739 168.051 1.00 18.75 ? ? ? ? ? ? 43 CYS B N 1 +ATOM 2311 C CA . CYS B 1 44 ? 22.267 44.180 167.576 1.00 19.81 ? ? ? ? ? ? 43 CYS B CA 1 +ATOM 2312 C C . CYS B 1 44 ? 22.840 45.290 168.481 1.00 19.50 ? ? ? ? ? ? 43 CYS B C 1 +ATOM 2313 O O . CYS B 1 44 ? 24.016 45.257 168.882 1.00 18.79 ? ? ? ? ? ? 43 CYS B O 1 +ATOM 2314 C CB . CYS B 1 44 ? 22.140 44.780 166.162 1.00 20.69 ? ? ? ? ? ? 43 CYS B CB 1 +ATOM 2315 S SG . CYS B 1 44 ? 21.747 43.630 164.845 1.00 25.23 ? ? ? ? ? ? 43 CYS B SG 1 +ATOM 2316 N N . ILE B 1 45 ? 21.994 46.282 168.783 1.00 18.91 ? ? ? ? ? ? 44 ILE B N 1 +ATOM 2317 C CA . ILE B 1 45 ? 22.408 47.430 169.603 1.00 18.87 ? ? ? ? ? ? 44 ILE B CA 1 +ATOM 2318 C C . ILE B 1 45 ? 22.916 47.005 170.959 1.00 19.70 ? ? ? ? ? ? 44 ILE B C 1 +ATOM 2319 O O . ILE B 1 45 ? 23.997 47.454 171.402 1.00 20.41 ? ? ? ? ? ? 44 ILE B O 1 +ATOM 2320 C CB . ILE B 1 45 ? 21.263 48.444 169.765 1.00 19.61 ? ? ? ? ? ? 44 ILE B CB 1 +ATOM 2321 C CG1 . ILE B 1 45 ? 20.968 49.118 168.427 1.00 22.59 ? ? ? ? ? ? 44 ILE B CG1 1 +ATOM 2322 C CG2 . ILE B 1 45 ? 21.582 49.503 170.804 1.00 17.03 ? ? ? ? ? ? 44 ILE B CG2 1 +ATOM 2323 C CD1 . ILE B 1 45 ? 19.476 49.412 168.183 1.00 18.86 ? ? ? ? ? ? 44 ILE B CD1 1 +ATOM 2324 N N . LEU B 1 46 ? 22.168 46.121 171.623 1.00 19.08 ? ? ? ? ? ? 45 LEU B N 1 +ATOM 2325 C CA . LEU B 1 46 ? 22.498 45.754 172.998 1.00 19.03 ? ? ? ? ? ? 45 LEU B CA 1 +ATOM 2326 C C . LEU B 1 46 ? 23.813 44.984 173.113 1.00 18.63 ? ? ? ? ? ? 45 LEU B C 1 +ATOM 2327 O O . LEU B 1 46 ? 24.675 45.403 173.872 1.00 19.14 ? ? ? ? ? ? 45 LEU B O 1 +ATOM 2328 C CB . LEU B 1 46 ? 21.345 45.031 173.717 1.00 17.14 ? ? ? ? ? ? 45 LEU B CB 1 +ATOM 2329 C CG . LEU B 1 46 ? 20.040 45.837 173.944 1.00 20.31 ? ? ? ? ? ? 45 LEU B CG 1 +ATOM 2330 C CD1 . LEU B 1 46 ? 19.077 45.129 174.860 1.00 17.10 ? ? ? ? ? ? 45 LEU B CD1 1 +ATOM 2331 C CD2 . LEU B 1 46 ? 20.346 47.221 174.470 1.00 15.23 ? ? ? ? ? ? 45 LEU B CD2 1 +ATOM 2332 N N . PRO B 1 47 ? 23.987 43.848 172.389 1.00 18.87 ? ? ? ? ? ? 46 PRO B N 1 +ATOM 2333 C CA . PRO B 1 47 ? 25.334 43.245 172.484 1.00 18.66 ? ? ? ? ? ? 46 PRO B CA 1 +ATOM 2334 C C . PRO B 1 47 ? 26.489 44.174 172.019 1.00 18.90 ? ? ? ? ? ? 46 PRO B C 1 +ATOM 2335 O O . PRO B 1 47 ? 27.593 44.108 172.593 1.00 20.96 ? ? ? ? ? ? 46 PRO B O 1 +ATOM 2336 C CB . PRO B 1 47 ? 25.231 41.996 171.593 1.00 18.80 ? ? ? ? ? ? 46 PRO B CB 1 +ATOM 2337 C CG . PRO B 1 47 ? 24.085 42.248 170.706 1.00 21.74 ? ? ? ? ? ? 46 PRO B CG 1 +ATOM 2338 C CD . PRO B 1 47 ? 23.105 43.052 171.524 1.00 18.51 ? ? ? ? ? ? 46 PRO B CD 1 +ATOM 2339 N N . HIS B 1 48 ? 26.233 45.041 171.025 1.00 19.60 ? ? ? ? ? ? 47 HIS B N 1 +ATOM 2340 C CA . HIS B 1 48 ? 27.247 46.005 170.575 1.00 20.95 ? ? ? ? ? ? 47 HIS B CA 1 +ATOM 2341 C C . HIS B 1 48 ? 27.695 46.912 171.710 1.00 19.49 ? ? ? ? ? ? 47 HIS B C 1 +ATOM 2342 O O . HIS B 1 48 ? 28.876 47.055 171.957 1.00 19.38 ? ? ? ? ? ? 47 HIS B O 1 +ATOM 2343 C CB . HIS B 1 48 ? 26.762 46.851 169.401 1.00 19.67 ? ? ? ? ? ? 47 HIS B CB 1 +ATOM 2344 C CG . HIS B 1 48 ? 27.729 47.932 168.987 1.00 21.83 ? ? ? ? ? ? 47 HIS B CG 1 +ATOM 2345 N ND1 . HIS B 1 48 ? 27.592 49.251 169.378 1.00 22.52 ? ? ? ? ? ? 47 HIS B ND1 1 +ATOM 2346 C CD2 . HIS B 1 48 ? 28.836 47.888 168.207 1.00 24.90 ? ? ? ? ? ? 47 HIS B CD2 1 +ATOM 2347 C CE1 . HIS B 1 48 ? 28.577 49.967 168.860 1.00 26.18 ? ? ? ? ? ? 47 HIS B CE1 1 +ATOM 2348 N NE2 . HIS B 1 48 ? 29.342 49.166 168.137 1.00 25.73 ? ? ? ? ? ? 47 HIS B NE2 1 +ATOM 2349 N N . ASP B 1 49 ? 26.746 47.486 172.428 1.00 20.83 ? ? ? ? ? ? 48 ASP B N 1 +ATOM 2350 C CA . ASP B 1 49 ? 27.079 48.476 173.435 1.00 21.70 ? ? ? ? ? ? 48 ASP B CA 1 +ATOM 2351 C C . ASP B 1 49 ? 27.765 47.859 174.655 1.00 20.44 ? ? ? ? ? ? 48 ASP B C 1 +ATOM 2352 O O . ASP B 1 49 ? 28.703 48.446 175.193 1.00 20.92 ? ? ? ? ? ? 48 ASP B O 1 +ATOM 2353 C CB . ASP B 1 49 ? 25.842 49.277 173.820 1.00 23.24 ? ? ? ? ? ? 48 ASP B CB 1 +ATOM 2354 C CG . ASP B 1 49 ? 25.395 50.256 172.714 1.00 26.84 ? ? ? ? ? ? 48 ASP B CG 1 +ATOM 2355 O OD1 . ASP B 1 49 ? 25.982 50.279 171.611 1.00 29.54 ? ? ? ? ? ? 48 ASP B OD1 1 +ATOM 2356 O OD2 . ASP B 1 49 ? 24.432 51.008 172.964 1.00 29.39 ? ? ? ? ? ? 48 ASP B OD2 1 +ATOM 2357 N N . ILE B 1 50 ? 27.287 46.675 175.048 1.00 19.96 ? ? ? ? ? ? 49 ILE B N 1 +ATOM 2358 C CA . ILE B 1 50 ? 27.882 45.869 176.140 1.00 18.65 ? ? ? ? ? ? 49 ILE B CA 1 +ATOM 2359 C C . ILE B 1 50 ? 29.330 45.491 175.825 1.00 19.59 ? ? ? ? ? ? 49 ILE B C 1 +ATOM 2360 O O . ILE B 1 50 ? 30.235 45.661 176.639 1.00 20.59 ? ? ? ? ? ? 49 ILE B O 1 +ATOM 2361 C CB . ILE B 1 50 ? 27.024 44.608 176.405 1.00 19.69 ? ? ? ? ? ? 49 ILE B CB 1 +ATOM 2362 C CG1 . ILE B 1 50 ? 25.670 45.045 176.985 1.00 20.20 ? ? ? ? ? ? 49 ILE B CG1 1 +ATOM 2363 C CG2 . ILE B 1 50 ? 27.751 43.618 177.319 1.00 20.18 ? ? ? ? ? ? 49 ILE B CG2 1 +ATOM 2364 C CD1 . ILE B 1 50 ? 24.694 43.988 177.089 1.00 20.40 ? ? ? ? ? ? 49 ILE B CD1 1 +ATOM 2365 N N . ALA B 1 51 ? 29.540 45.025 174.607 1.00 19.82 ? ? ? ? ? ? 50 ALA B N 1 +ATOM 2366 C CA . ALA B 1 51 ? 30.832 44.586 174.159 1.00 19.51 ? ? ? ? ? ? 50 ALA B CA 1 +ATOM 2367 C C . ALA B 1 51 ? 31.814 45.735 174.065 1.00 19.40 ? ? ? ? ? ? 50 ALA B C 1 +ATOM 2368 O O . ALA B 1 51 ? 33.010 45.567 174.342 1.00 20.46 ? ? ? ? ? ? 50 ALA B O 1 +ATOM 2369 C CB . ALA B 1 51 ? 30.679 43.897 172.785 1.00 18.67 ? ? ? ? ? ? 50 ALA B CB 1 +ATOM 2370 N N . VAL B 1 52 ? 31.341 46.892 173.595 1.00 19.87 ? ? ? ? ? ? 51 VAL B N 1 +ATOM 2371 C CA . VAL B 1 52 ? 32.193 48.087 173.539 1.00 20.86 ? ? ? ? ? ? 51 VAL B CA 1 +ATOM 2372 C C . VAL B 1 52 ? 32.597 48.511 174.970 1.00 20.67 ? ? ? ? ? ? 51 VAL B C 1 +ATOM 2373 O O . VAL B 1 52 ? 33.744 48.798 175.238 1.00 21.20 ? ? ? ? ? ? 51 VAL B O 1 +ATOM 2374 C CB . VAL B 1 52 ? 31.494 49.258 172.747 1.00 20.11 ? ? ? ? ? ? 51 VAL B CB 1 +ATOM 2375 C CG1 . VAL B 1 52 ? 32.119 50.579 173.087 1.00 21.51 ? ? ? ? ? ? 51 VAL B CG1 1 +ATOM 2376 C CG2 . VAL B 1 52 ? 31.569 49.016 171.258 1.00 17.72 ? ? ? ? ? ? 51 VAL B CG2 1 +ATOM 2377 N N . GLU B 1 53 ? 31.647 48.521 175.883 1.00 21.45 ? ? ? ? ? ? 52 GLU B N 1 +ATOM 2378 C CA . GLU B 1 53 ? 31.925 48.912 177.251 1.00 22.61 ? ? ? ? ? ? 52 GLU B CA 1 +ATOM 2379 C C . GLU B 1 53 ? 32.878 47.909 177.924 1.00 21.53 ? ? ? ? ? ? 52 GLU B C 1 +ATOM 2380 O O . GLU B 1 53 ? 33.867 48.318 178.549 1.00 22.98 ? ? ? ? ? ? 52 GLU B O 1 +ATOM 2381 C CB . GLU B 1 53 ? 30.619 49.136 178.033 1.00 19.67 ? ? ? ? ? ? 52 GLU B CB 1 +ATOM 2382 C CG . GLU B 1 53 ? 30.823 49.786 179.398 1.00 26.49 ? ? ? ? ? ? 52 GLU B CG 1 +ATOM 2383 C CD . GLU B 1 53 ? 29.557 49.925 180.230 1.00 26.75 ? ? ? ? ? ? 52 GLU B CD 1 +ATOM 2384 O OE1 . GLU B 1 53 ? 28.445 50.025 179.653 1.00 27.98 ? ? ? ? ? ? 52 GLU B OE1 1 +ATOM 2385 O OE2 . GLU B 1 53 ? 29.697 49.965 181.480 1.00 37.50 ? ? ? ? ? ? 52 GLU B OE2 1 +ATOM 2386 N N . ALA B 1 54 ? 32.649 46.614 177.716 1.00 20.75 ? ? ? ? ? ? 53 ALA B N 1 +ATOM 2387 C CA . ALA B 1 54 ? 33.562 45.573 178.188 1.00 19.31 ? ? ? ? ? ? 53 ALA B CA 1 +ATOM 2388 C C . ALA B 1 54 ? 34.955 45.689 177.588 1.00 20.33 ? ? ? ? ? ? 53 ALA B C 1 +ATOM 2389 O O . ALA B 1 54 ? 35.938 45.474 178.302 1.00 21.07 ? ? ? ? ? ? 53 ALA B O 1 +ATOM 2390 C CB . ALA B 1 54 ? 32.971 44.145 177.970 1.00 19.02 ? ? ? ? ? ? 53 ALA B CB 1 +ATOM 2391 N N . ALA B 1 55 ? 35.050 46.018 176.300 1.00 20.33 ? ? ? ? ? ? 54 ALA B N 1 +ATOM 2392 C CA . ALA B 1 55 ? 36.357 46.183 175.618 1.00 21.05 ? ? ? ? ? ? 54 ALA B CA 1 +ATOM 2393 C C . ALA B 1 55 ? 37.099 47.389 176.150 1.00 21.03 ? ? ? ? ? ? 54 ALA B C 1 +ATOM 2394 O O . ALA B 1 55 ? 38.322 47.362 176.304 1.00 22.29 ? ? ? ? ? ? 54 ALA B O 1 +ATOM 2395 C CB . ALA B 1 55 ? 36.191 46.313 174.114 1.00 18.58 ? ? ? ? ? ? 54 ALA B CB 1 +ATOM 2396 N N . GLU B 1 56 ? 36.366 48.458 176.418 1.00 22.66 ? ? ? ? ? ? 55 GLU B N 1 +ATOM 2397 C CA . GLU B 1 56 ? 36.958 49.628 177.106 1.00 24.49 ? ? ? ? ? ? 55 GLU B CA 1 +ATOM 2398 C C . GLU B 1 56 ? 37.438 49.336 178.520 1.00 23.93 ? ? ? ? ? ? 55 GLU B C 1 +ATOM 2399 O O . GLU B 1 56 ? 38.500 49.839 178.925 1.00 24.05 ? ? ? ? ? ? 55 GLU B O 1 +ATOM 2400 C CB . GLU B 1 56 ? 35.974 50.773 177.172 1.00 25.97 ? ? ? ? ? ? 55 GLU B CB 1 +ATOM 2401 C CG . GLU B 1 56 ? 35.751 51.463 175.840 1.00 27.33 ? ? ? ? ? ? 55 GLU B CG 1 +ATOM 2402 C CD . GLU B 1 56 ? 34.551 52.417 175.866 1.00 30.47 ? ? ? ? ? ? 55 GLU B CD 1 +ATOM 2403 O OE1 . GLU B 1 56 ? 33.634 52.202 176.715 1.00 36.98 ? ? ? ? ? ? 55 GLU B OE1 1 +ATOM 2404 O OE2 . GLU B 1 56 ? 34.501 53.350 175.011 1.00 36.29 ? ? ? ? ? ? 55 GLU B OE2 1 +ATOM 2405 N N . LEU B 1 57 ? 36.677 48.548 179.274 1.00 23.75 ? ? ? ? ? ? 56 LEU B N 1 +ATOM 2406 C CA . LEU B 1 57 ? 37.153 48.097 180.598 1.00 23.10 ? ? ? ? ? ? 56 LEU B CA 1 +ATOM 2407 C C . LEU B 1 57 ? 38.427 47.244 180.507 1.00 25.15 ? ? ? ? ? ? 56 LEU B C 1 +ATOM 2408 O O . LEU B 1 57 ? 39.415 47.575 181.192 1.00 26.23 ? ? ? ? ? ? 56 LEU B O 1 +ATOM 2409 C CB . LEU B 1 57 ? 36.059 47.371 181.377 1.00 23.68 ? ? ? ? ? ? 56 LEU B CB 1 +ATOM 2410 C CG . LEU B 1 57 ? 36.364 46.981 182.819 1.00 24.29 ? ? ? ? ? ? 56 LEU B CG 1 +ATOM 2411 C CD1 . LEU B 1 57 ? 36.892 48.208 183.605 1.00 24.63 ? ? ? ? ? ? 56 LEU B CD1 1 +ATOM 2412 C CD2 . LEU B 1 57 ? 35.132 46.396 183.480 1.00 20.40 ? ? ? ? ? ? 56 LEU B CD2 1 +ATOM 2413 N N . ALA B 1 58 ? 38.436 46.170 179.696 1.00 24.49 ? ? ? ? ? ? 57 ALA B N 1 +ATOM 2414 C CA . ALA B 1 58 ? 39.632 45.303 179.584 1.00 24.25 ? ? ? ? ? ? 57 ALA B CA 1 +ATOM 2415 C C . ALA B 1 58 ? 40.847 46.118 179.188 1.00 24.97 ? ? ? ? ? ? 57 ALA B C 1 +ATOM 2416 O O . ALA B 1 58 ? 41.952 45.868 179.653 1.00 26.35 ? ? ? ? ? ? 57 ALA B O 1 +ATOM 2417 C CB . ALA B 1 58 ? 39.430 44.176 178.556 1.00 23.68 ? ? ? ? ? ? 57 ALA B CB 1 +ATOM 2418 N N . LEU B 1 59 ? 40.668 47.083 178.297 1.00 25.20 ? ? ? ? ? ? 58 LEU B N 1 +ATOM 2419 C CA . LEU B 1 59 ? 41.813 47.863 177.827 1.00 25.80 ? ? ? ? ? ? 58 LEU B CA 1 +ATOM 2420 C C . LEU B 1 59 ? 42.359 48.786 178.924 1.00 27.09 ? ? ? ? ? ? 58 LEU B C 1 +ATOM 2421 O O . LEU B 1 59 ? 43.578 48.835 179.139 1.00 27.85 ? ? ? ? ? ? 58 LEU B O 1 +ATOM 2422 C CB . LEU B 1 59 ? 41.418 48.687 176.611 1.00 26.82 ? ? ? ? ? ? 58 LEU B CB 1 +ATOM 2423 C CG . LEU B 1 59 ? 42.468 49.646 176.071 1.00 27.30 ? ? ? ? ? ? 58 LEU B CG 1 +ATOM 2424 C CD1 . LEU B 1 59 ? 43.655 48.840 175.539 1.00 22.48 ? ? ? ? ? ? 58 LEU B CD1 1 +ATOM 2425 C CD2 . LEU B 1 59 ? 41.826 50.515 175.007 1.00 26.30 ? ? ? ? ? ? 58 LEU B CD2 1 +ATOM 2426 N N . SER B 1 60 ? 41.487 49.512 179.616 1.00 27.96 ? ? ? ? ? ? 59 SER B N 1 +ATOM 2427 C CA . SER B 1 60 ? 41.926 50.429 180.691 1.00 31.34 ? ? ? ? ? ? 59 SER B CA 1 +ATOM 2428 C C . SER B 1 60 ? 42.538 49.703 181.902 1.00 32.12 ? ? ? ? ? ? 59 SER B C 1 +ATOM 2429 O O . SER B 1 60 ? 43.555 50.150 182.458 1.00 34.14 ? ? ? ? ? ? 59 SER B O 1 +ATOM 2430 C CB . SER B 1 60 ? 40.779 51.351 181.149 1.00 31.09 ? ? ? ? ? ? 59 SER B CB 1 +ATOM 2431 O OG . SER B 1 60 ? 39.809 50.618 181.868 1.00 38.54 ? ? ? ? ? ? 59 SER B OG 1 +ATOM 2432 N N . ARG B 1 61 ? 41.959 48.578 182.294 1.00 31.93 ? ? ? ? ? ? 60 ARG B N 1 +ATOM 2433 C CA . ARG B 1 61 ? 42.465 47.867 183.468 1.00 32.25 ? ? ? ? ? ? 60 ARG B CA 1 +ATOM 2434 C C . ARG B 1 61 ? 43.620 46.881 183.219 1.00 31.86 ? ? ? ? ? ? 60 ARG B C 1 +ATOM 2435 O O . ARG B 1 61 ? 44.422 46.651 184.128 1.00 33.32 ? ? ? ? ? ? 60 ARG B O 1 +ATOM 2436 C CB . ARG B 1 61 ? 41.321 47.240 184.234 1.00 33.54 ? ? ? ? ? ? 60 ARG B CB 1 +ATOM 2437 C CG . ARG B 1 61 ? 41.009 45.823 183.933 1.00 35.68 ? ? ? ? ? ? 60 ARG B CG 1 +ATOM 2438 C CD . ARG B 1 61 ? 39.760 45.511 184.640 1.00 33.83 ? ? ? ? ? ? 60 ARG B CD 1 +ATOM 2439 N NE . ARG B 1 61 ? 39.343 44.154 184.418 1.00 35.91 ? ? ? ? ? ? 60 ARG B NE 1 +ATOM 2440 C CZ . ARG B 1 61 ? 38.239 43.646 184.948 1.00 36.32 ? ? ? ? ? ? 60 ARG B CZ 1 +ATOM 2441 N NH1 . ARG B 1 61 ? 37.462 44.373 185.748 1.00 34.71 ? ? ? ? ? ? 60 ARG B NH1 1 +ATOM 2442 N NH2 . ARG B 1 61 ? 37.931 42.384 184.698 1.00 41.23 ? ? ? ? ? ? 60 ARG B NH2 1 +ATOM 2443 N N . SER B 1 62 ? 43.737 46.326 182.012 1.00 31.08 ? ? ? ? ? ? 61 SER B N 1 +ATOM 2444 C CA . SER B 1 62 ? 44.712 45.274 181.704 1.00 31.24 ? ? ? ? ? ? 61 SER B CA 1 +ATOM 2445 C C . SER B 1 62 ? 45.608 45.588 180.528 1.00 29.46 ? ? ? ? ? ? 61 SER B C 1 +ATOM 2446 O O . SER B 1 62 ? 46.629 44.957 180.322 1.00 28.95 ? ? ? ? ? ? 61 SER B O 1 +ATOM 2447 C CB . SER B 1 62 ? 43.956 43.990 181.338 1.00 34.87 ? ? ? ? ? ? 61 SER B CB 1 +ATOM 2448 O OG . SER B 1 62 ? 43.215 43.521 182.446 1.00 43.20 ? ? ? ? ? ? 61 SER B OG 1 +ATOM 2449 N N . GLY B 1 63 ? 45.184 46.526 179.707 1.00 28.62 ? ? ? ? ? ? 62 GLY B N 1 +ATOM 2450 C CA . GLY B 1 63 ? 45.855 46.773 178.452 1.00 28.75 ? ? ? ? ? ? 62 GLY B CA 1 +ATOM 2451 C C . GLY B 1 63 ? 45.579 45.718 177.397 1.00 28.17 ? ? ? ? ? ? 62 GLY B C 1 +ATOM 2452 O O . GLY B 1 63 ? 46.273 45.681 176.405 1.00 30.01 ? ? ? ? ? ? 62 GLY B O 1 +ATOM 2453 N N . VAL B 1 64 ? 44.570 44.879 177.605 1.00 27.99 ? ? ? ? ? ? 63 VAL B N 1 +ATOM 2454 C CA . VAL B 1 64 ? 44.114 43.891 176.583 1.00 26.10 ? ? ? ? ? ? 63 VAL B CA 1 +ATOM 2455 C C . VAL B 1 64 ? 43.201 44.634 175.561 1.00 25.02 ? ? ? ? ? ? 63 VAL B C 1 +ATOM 2456 O O . VAL B 1 64 ? 42.223 45.262 175.951 1.00 24.44 ? ? ? ? ? ? 63 VAL B O 1 +ATOM 2457 C CB . VAL B 1 64 ? 43.371 42.720 177.286 1.00 29.30 ? ? ? ? ? ? 63 VAL B CB 1 +ATOM 2458 C CG1 . VAL B 1 64 ? 42.557 41.848 176.279 1.00 26.56 ? ? ? ? ? ? 63 VAL B CG1 1 +ATOM 2459 C CG2 . VAL B 1 64 ? 44.361 41.843 178.086 1.00 25.95 ? ? ? ? ? ? 63 VAL B CG2 1 +ATOM 2460 N N . ARG B 1 65 ? 43.533 44.592 174.267 1.00 24.12 ? ? ? ? ? ? 64 ARG B N 1 +ATOM 2461 C CA . ARG B 1 65 ? 42.823 45.400 173.264 1.00 23.83 ? ? ? ? ? ? 64 ARG B CA 1 +ATOM 2462 C C . ARG B 1 65 ? 41.948 44.525 172.361 1.00 23.02 ? ? ? ? ? ? 64 ARG B C 1 +ATOM 2463 O O . ARG B 1 65 ? 42.445 43.636 171.697 1.00 22.53 ? ? ? ? ? ? 64 ARG B O 1 +ATOM 2464 C CB . ARG B 1 65 ? 43.804 46.244 172.411 1.00 25.05 ? ? ? ? ? ? 64 ARG B CB 1 +ATOM 2465 C CG . ARG B 1 65 ? 43.091 47.362 171.629 1.00 26.32 ? ? ? ? ? ? 64 ARG B CG 1 +ATOM 2466 C CD . ARG B 1 65 ? 44.008 48.062 170.653 1.00 28.34 ? ? ? ? ? ? 64 ARG B CD 1 +ATOM 2467 N NE . ARG B 1 65 ? 44.830 49.034 171.360 1.00 27.28 ? ? ? ? ? ? 64 ARG B NE 1 +ATOM 2468 C CZ . ARG B 1 65 ? 46.113 48.874 171.685 1.00 30.79 ? ? ? ? ? ? 64 ARG B CZ 1 +ATOM 2469 N NH1 . ARG B 1 65 ? 46.802 47.784 171.359 1.00 33.08 ? ? ? ? ? ? 64 ARG B NH1 1 +ATOM 2470 N NH2 . ARG B 1 65 ? 46.727 49.839 172.338 1.00 32.86 ? ? ? ? ? ? 64 ARG B NH2 1 +ATOM 2471 N N . CYS B 1 66 ? 40.640 44.782 172.367 1.00 22.84 ? ? ? ? ? ? 65 CYS B N 1 +ATOM 2472 C CA . CYS B 1 66 ? 39.687 43.995 171.616 1.00 23.43 ? ? ? ? ? ? 65 CYS B CA 1 +ATOM 2473 C C . CYS B 1 66 ? 38.951 44.869 170.617 1.00 22.84 ? ? ? ? ? ? 65 CYS B C 1 +ATOM 2474 O O . CYS B 1 66 ? 38.635 45.996 170.911 1.00 23.94 ? ? ? ? ? ? 65 CYS B O 1 +ATOM 2475 C CB . CYS B 1 66 ? 38.666 43.371 172.557 1.00 22.69 ? ? ? ? ? ? 65 CYS B CB 1 +ATOM 2476 S SG . CYS B 1 66 ? 39.397 42.416 173.823 1.00 28.29 ? ? ? ? ? ? 65 CYS B SG 1 +ATOM 2477 N N . MSE B 1 67 ? 38.689 44.334 169.430 1.00 21.00 ? ? ? ? ? ? 66 MSE B N 1 +ATOM 2478 C CA . MSE B 1 67 ? 37.975 45.067 168.419 1.00 19.05 ? ? ? ? ? ? 66 MSE B CA 1 +ATOM 2479 C C . MSE B 1 67 ? 36.603 44.476 168.365 1.00 18.85 ? ? ? ? ? ? 66 MSE B C 1 +ATOM 2480 O O . MSE B 1 67 ? 36.482 43.245 168.263 1.00 17.99 ? ? ? ? ? ? 66 MSE B O 1 +ATOM 2481 C CB . MSE B 1 67 ? 38.641 44.932 167.067 1.00 18.35 ? ? ? ? ? ? 66 MSE B CB 1 +ATOM 2482 C CG . MSE B 1 67 ? 37.992 45.725 165.946 1.00 21.66 ? ? ? ? ? ? 66 MSE B CG 1 +ATOM 2483 SE SE . MSE B 1 67 ? 37.568 47.575 166.334 0.75 22.27 ? ? ? ? ? ? 66 MSE B SE 1 +ATOM 2484 C CE . MSE B 1 67 ? 39.224 48.307 165.691 1.00 19.96 ? ? ? ? ? ? 66 MSE B CE 1 +ATOM 2485 N N . VAL B 1 68 ? 35.607 45.369 168.416 1.00 18.57 ? ? ? ? ? ? 67 VAL B N 1 +ATOM 2486 C CA . VAL B 1 68 ? 34.187 45.030 168.304 1.00 17.72 ? ? ? ? ? ? 67 VAL B CA 1 +ATOM 2487 C C . VAL B 1 68 ? 33.733 45.320 166.876 1.00 18.87 ? ? ? ? ? ? 67 VAL B C 1 +ATOM 2488 O O . VAL B 1 68 ? 33.614 46.464 166.448 1.00 18.62 ? ? ? ? ? ? 67 VAL B O 1 +ATOM 2489 C CB . VAL B 1 68 ? 33.310 45.808 169.354 1.00 17.20 ? ? ? ? ? ? 67 VAL B CB 1 +ATOM 2490 C CG1 . VAL B 1 68 ? 31.789 45.452 169.242 1.00 13.97 ? ? ? ? ? ? 67 VAL B CG1 1 +ATOM 2491 C CG2 . VAL B 1 68 ? 33.793 45.508 170.747 1.00 14.04 ? ? ? ? ? ? 67 VAL B CG2 1 +ATOM 2492 N N . MSE B 1 69 ? 33.509 44.245 166.140 1.00 18.11 ? ? ? ? ? ? 68 MSE B N 1 +ATOM 2493 C CA . MSE B 1 69 ? 33.090 44.314 164.746 1.00 18.79 ? ? ? ? ? ? 68 MSE B CA 1 +ATOM 2494 C C . MSE B 1 69 ? 31.658 44.873 164.671 1.00 19.00 ? ? ? ? ? ? 68 MSE B C 1 +ATOM 2495 O O . MSE B 1 69 ? 30.985 44.936 165.661 1.00 19.63 ? ? ? ? ? ? 68 MSE B O 1 +ATOM 2496 C CB . MSE B 1 69 ? 33.104 42.900 164.128 1.00 20.04 ? ? ? ? ? ? 68 MSE B CB 1 +ATOM 2497 C CG . MSE B 1 69 ? 34.445 42.183 164.180 1.00 20.13 ? ? ? ? ? ? 68 MSE B CG 1 +ATOM 2498 SE SE . MSE B 1 69 ? 35.777 43.165 163.110 0.75 27.26 ? ? ? ? ? ? 68 MSE B SE 1 +ATOM 2499 C CE . MSE B 1 69 ? 35.065 42.744 161.300 1.00 20.48 ? ? ? ? ? ? 68 MSE B CE 1 +ATOM 2500 N N . PRO B 1 70 ? 31.197 45.278 163.490 1.00 20.06 ? ? ? ? ? ? 69 PRO B N 1 +ATOM 2501 C CA . PRO B 1 70 ? 29.800 45.701 163.333 1.00 21.44 ? ? ? ? ? ? 69 PRO B CA 1 +ATOM 2502 C C . PRO B 1 70 ? 28.827 44.551 163.566 1.00 22.29 ? ? ? ? ? ? 69 PRO B C 1 +ATOM 2503 O O . PRO B 1 70 ? 29.132 43.410 163.192 1.00 20.52 ? ? ? ? ? ? 69 PRO B O 1 +ATOM 2504 C CB . PRO B 1 70 ? 29.729 46.110 161.871 1.00 21.69 ? ? ? ? ? ? 69 PRO B CB 1 +ATOM 2505 C CG . PRO B 1 70 ? 31.142 46.350 161.478 1.00 22.66 ? ? ? ? ? ? 69 PRO B CG 1 +ATOM 2506 C CD . PRO B 1 70 ? 31.921 45.354 162.223 1.00 20.69 ? ? ? ? ? ? 69 PRO B CD 1 +ATOM 2507 N N . PRO B 1 71 ? 27.656 44.836 164.191 1.00 22.69 ? ? ? ? ? ? 70 PRO B N 1 +ATOM 2508 C CA . PRO B 1 71 ? 26.679 43.780 164.484 1.00 21.95 ? ? ? ? ? ? 70 PRO B CA 1 +ATOM 2509 C C . PRO B 1 71 ? 26.093 43.108 163.228 1.00 21.71 ? ? ? ? ? ? 70 PRO B C 1 +ATOM 2510 O O . PRO B 1 71 ? 25.845 43.766 162.223 1.00 22.68 ? ? ? ? ? ? 70 PRO B O 1 +ATOM 2511 C CB . PRO B 1 71 ? 25.571 44.532 165.238 1.00 23.64 ? ? ? ? ? ? 70 PRO B CB 1 +ATOM 2512 C CG . PRO B 1 71 ? 26.193 45.754 165.730 1.00 20.65 ? ? ? ? ? ? 70 PRO B CG 1 +ATOM 2513 C CD . PRO B 1 71 ? 27.206 46.135 164.711 1.00 23.54 ? ? ? ? ? ? 70 PRO B CD 1 +ATOM 2514 N N . VAL B 1 72 ? 25.922 41.790 163.280 1.00 20.97 ? ? ? ? ? ? 71 VAL B N 1 +ATOM 2515 C CA . VAL B 1 72 ? 25.303 41.056 162.172 1.00 18.32 ? ? ? ? ? ? 71 VAL B CA 1 +ATOM 2516 C C . VAL B 1 72 ? 23.797 41.093 162.440 1.00 17.48 ? ? ? ? ? ? 71 VAL B C 1 +ATOM 2517 O O . VAL B 1 72 ? 23.371 40.611 163.462 1.00 17.65 ? ? ? ? ? ? 71 VAL B O 1 +ATOM 2518 C CB . VAL B 1 72 ? 25.792 39.597 162.108 1.00 18.68 ? ? ? ? ? ? 71 VAL B CB 1 +ATOM 2519 C CG1 . VAL B 1 72 ? 25.379 38.968 160.807 1.00 13.91 ? ? ? ? ? ? 71 VAL B CG1 1 +ATOM 2520 C CG2 . VAL B 1 72 ? 27.300 39.537 162.282 1.00 17.29 ? ? ? ? ? ? 71 VAL B CG2 1 +ATOM 2521 N N . PRO B 1 73 ? 22.996 41.762 161.565 1.00 17.45 ? ? ? ? ? ? 72 PRO B N 1 +ATOM 2522 C CA . PRO B 1 73 ? 21.552 41.919 161.787 1.00 18.03 ? ? ? ? ? ? 72 PRO B CA 1 +ATOM 2523 C C . PRO B 1 73 ? 20.657 40.757 161.317 1.00 18.38 ? ? ? ? ? ? 72 PRO B C 1 +ATOM 2524 O O . PRO B 1 73 ? 19.445 40.918 161.162 1.00 21.71 ? ? ? ? ? ? 72 PRO B O 1 +ATOM 2525 C CB . PRO B 1 73 ? 21.251 43.179 160.983 1.00 20.44 ? ? ? ? ? ? 72 PRO B CB 1 +ATOM 2526 C CG . PRO B 1 73 ? 22.131 43.064 159.822 1.00 20.07 ? ? ? ? ? ? 72 PRO B CG 1 +ATOM 2527 C CD . PRO B 1 73 ? 23.418 42.466 160.341 1.00 17.77 ? ? ? ? ? ? 72 PRO B CD 1 +ATOM 2528 N N . PHE B 1 74 ? 21.236 39.575 161.186 1.00 18.06 ? ? ? ? ? ? 73 PHE B N 1 +ATOM 2529 C CA . PHE B 1 74 ? 20.592 38.451 160.539 1.00 17.22 ? ? ? ? ? ? 73 PHE B CA 1 +ATOM 2530 C C . PHE B 1 74 ? 20.360 37.315 161.509 1.00 17.64 ? ? ? ? ? ? 73 PHE B C 1 +ATOM 2531 O O . PHE B 1 74 ? 21.247 36.502 161.724 1.00 18.32 ? ? ? ? ? ? 73 PHE B O 1 +ATOM 2532 C CB . PHE B 1 74 ? 21.475 38.003 159.360 1.00 18.85 ? ? ? ? ? ? 73 PHE B CB 1 +ATOM 2533 C CG . PHE B 1 74 ? 21.535 39.018 158.257 1.00 18.78 ? ? ? ? ? ? 73 PHE B CG 1 +ATOM 2534 C CD1 . PHE B 1 74 ? 20.379 39.359 157.562 1.00 20.58 ? ? ? ? ? ? 73 PHE B CD1 1 +ATOM 2535 C CD2 . PHE B 1 74 ? 22.719 39.665 157.941 1.00 18.63 ? ? ? ? ? ? 73 PHE B CD2 1 +ATOM 2536 C CE1 . PHE B 1 74 ? 20.412 40.298 156.571 1.00 23.58 ? ? ? ? ? ? 73 PHE B CE1 1 +ATOM 2537 C CE2 . PHE B 1 74 ? 22.760 40.604 156.946 1.00 20.02 ? ? ? ? ? ? 73 PHE B CE2 1 +ATOM 2538 C CZ . PHE B 1 74 ? 21.608 40.953 156.275 1.00 15.79 ? ? ? ? ? ? 73 PHE B CZ 1 +ATOM 2539 N N . GLY B 1 75 ? 19.146 37.247 162.064 1.00 17.87 ? ? ? ? ? ? 74 GLY B N 1 +ATOM 2540 C CA . GLY B 1 75 ? 18.772 36.236 163.042 1.00 17.39 ? ? ? ? ? ? 74 GLY B CA 1 +ATOM 2541 C C . GLY B 1 75 ? 17.866 35.121 162.544 1.00 16.86 ? ? ? ? ? ? 74 GLY B C 1 +ATOM 2542 O O . GLY B 1 75 ? 17.319 35.204 161.473 1.00 16.70 ? ? ? ? ? ? 74 GLY B O 1 +ATOM 2543 N N . ALA B 1 76 ? 17.774 34.054 163.328 1.00 16.76 ? ? ? ? ? ? 75 ALA B N 1 +ATOM 2544 C CA . ALA B 1 76 ? 16.924 32.928 163.053 1.00 16.91 ? ? ? ? ? ? 75 ALA B CA 1 +ATOM 2545 C C . ALA B 1 76 ? 15.651 33.099 163.854 1.00 18.57 ? ? ? ? ? ? 75 ALA B C 1 +ATOM 2546 O O . ALA B 1 76 ? 15.707 33.271 165.088 1.00 20.27 ? ? ? ? ? ? 75 ALA B O 1 +ATOM 2547 C CB . ALA B 1 76 ? 17.637 31.631 163.427 1.00 14.51 ? ? ? ? ? ? 75 ALA B CB 1 +ATOM 2548 N N . HIS B 1 77 ? 14.514 33.049 163.165 1.00 19.19 ? ? ? ? ? ? 76 HIS B N 1 +ATOM 2549 C CA . HIS B 1 77 ? 13.217 33.318 163.764 1.00 19.36 ? ? ? ? ? ? 76 HIS B CA 1 +ATOM 2550 C C . HIS B 1 77 ? 12.213 32.164 163.718 1.00 20.84 ? ? ? ? ? ? 76 HIS B C 1 +ATOM 2551 O O . HIS B 1 77 ? 12.481 31.120 163.168 1.00 19.97 ? ? ? ? ? ? 76 HIS B O 1 +ATOM 2552 C CB . HIS B 1 77 ? 12.642 34.586 163.133 1.00 19.81 ? ? ? ? ? ? 76 HIS B CB 1 +ATOM 2553 C CG . HIS B 1 77 ? 13.484 35.782 163.418 1.00 22.27 ? ? ? ? ? ? 76 HIS B CG 1 +ATOM 2554 N ND1 . HIS B 1 77 ? 13.623 36.290 164.691 1.00 21.41 ? ? ? ? ? ? 76 HIS B ND1 1 +ATOM 2555 C CD2 . HIS B 1 77 ? 14.302 36.515 162.625 1.00 21.06 ? ? ? ? ? ? 76 HIS B CD2 1 +ATOM 2556 C CE1 . HIS B 1 77 ? 14.459 37.316 164.664 1.00 23.81 ? ? ? ? ? ? 76 HIS B CE1 1 +ATOM 2557 N NE2 . HIS B 1 77 ? 14.905 37.457 163.429 1.00 23.12 ? ? ? ? ? ? 76 HIS B NE2 1 +ATOM 2558 N N . ASN B 1 78 ? 11.051 32.390 164.331 1.00 20.71 ? ? ? ? ? ? 77 ASN B N 1 +ATOM 2559 C CA . ASN B 1 78 ? 10.093 31.346 164.663 1.00 21.26 ? ? ? ? ? ? 77 ASN B CA 1 +ATOM 2560 C C . ASN B 1 78 ? 8.913 31.483 163.742 1.00 21.91 ? ? ? ? ? ? 77 ASN B C 1 +ATOM 2561 O O . ASN B 1 78 ? 8.688 32.569 163.182 1.00 22.38 ? ? ? ? ? ? 77 ASN B O 1 +ATOM 2562 C CB . ASN B 1 78 ? 9.551 31.533 166.105 1.00 20.64 ? ? ? ? ? ? 77 ASN B CB 1 +ATOM 2563 C CG . ASN B 1 78 ? 10.467 30.995 167.179 1.00 24.38 ? ? ? ? ? ? 77 ASN B CG 1 +ATOM 2564 O OD1 . ASN B 1 78 ? 11.683 31.095 167.103 1.00 27.42 ? ? ? ? ? ? 77 ASN B OD1 1 +ATOM 2565 N ND2 . ASN B 1 78 ? 9.867 30.466 168.226 1.00 21.53 ? ? ? ? ? ? 77 ASN B ND2 1 +ATOM 2566 N N . PRO B 1 79 ? 8.099 30.420 163.631 1.00 23.06 ? ? ? ? ? ? 78 PRO B N 1 +ATOM 2567 C CA . PRO B 1 79 ? 6.872 30.538 162.862 1.00 22.88 ? ? ? ? ? ? 78 PRO B CA 1 +ATOM 2568 C C . PRO B 1 79 ? 6.057 31.736 163.352 1.00 22.98 ? ? ? ? ? ? 78 PRO B C 1 +ATOM 2569 O O . PRO B 1 79 ? 6.052 32.012 164.551 1.00 22.86 ? ? ? ? ? ? 78 PRO B O 1 +ATOM 2570 C CB . PRO B 1 79 ? 6.147 29.223 163.159 1.00 24.09 ? ? ? ? ? ? 78 PRO B CB 1 +ATOM 2571 C CG . PRO B 1 79 ? 7.189 28.289 163.571 1.00 21.80 ? ? ? ? ? ? 78 PRO B CG 1 +ATOM 2572 C CD . PRO B 1 79 ? 8.258 29.077 164.222 1.00 22.56 ? ? ? ? ? ? 78 PRO B CD 1 +ATOM 2573 N N . GLY B 1 80 ? 5.394 32.442 162.440 1.00 22.16 ? ? ? ? ? ? 79 GLY B N 1 +ATOM 2574 C CA . GLY B 1 80 ? 4.664 33.665 162.773 1.00 23.63 ? ? ? ? ? ? 79 GLY B CA 1 +ATOM 2575 C C . GLY B 1 80 ? 5.436 34.968 162.794 1.00 23.70 ? ? ? ? ? ? 79 GLY B C 1 +ATOM 2576 O O . GLY B 1 80 ? 4.846 36.027 162.658 1.00 25.97 ? ? ? ? ? ? 79 GLY B O 1 +ATOM 2577 N N . GLN B 1 81 ? 6.752 34.930 162.982 1.00 23.45 ? ? ? ? ? ? 80 GLN B N 1 +ATOM 2578 C CA . GLN B 1 81 ? 7.527 36.173 163.032 1.00 23.51 ? ? ? ? ? ? 80 GLN B CA 1 +ATOM 2579 C C . GLN B 1 81 ? 7.828 36.752 161.664 1.00 24.49 ? ? ? ? ? ? 80 GLN B C 1 +ATOM 2580 O O . GLN B 1 81 ? 7.835 37.980 161.486 1.00 24.89 ? ? ? ? ? ? 80 GLN B O 1 +ATOM 2581 C CB . GLN B 1 81 ? 8.857 35.978 163.762 1.00 24.30 ? ? ? ? ? ? 80 GLN B CB 1 +ATOM 2582 C CG . GLN B 1 81 ? 8.736 35.751 165.241 1.00 23.64 ? ? ? ? ? ? 80 GLN B CG 1 +ATOM 2583 C CD . GLN B 1 81 ? 10.077 35.815 165.941 1.00 25.70 ? ? ? ? ? ? 80 GLN B CD 1 +ATOM 2584 O OE1 . GLN B 1 81 ? 10.855 34.854 165.893 1.00 26.52 ? ? ? ? ? ? 80 GLN B OE1 1 +ATOM 2585 N NE2 . GLN B 1 81 ? 10.364 36.948 166.594 1.00 19.62 ? ? ? ? ? ? 80 GLN B NE2 1 +ATOM 2586 N N . ARG B 1 82 ? 8.100 35.865 160.713 1.00 24.34 ? ? ? ? ? ? 81 ARG B N 1 +ATOM 2587 C CA . ARG B 1 82 ? 8.445 36.207 159.339 1.00 26.62 ? ? ? ? ? ? 81 ARG B CA 1 +ATOM 2588 C C . ARG B 1 82 ? 7.348 37.024 158.642 1.00 26.34 ? ? ? ? ? ? 81 ARG B C 1 +ATOM 2589 O O . ARG B 1 82 ? 7.614 37.837 157.761 1.00 27.35 ? ? ? ? ? ? 81 ARG B O 1 +ATOM 2590 C CB . ARG B 1 82 ? 8.716 34.914 158.547 1.00 26.62 ? ? ? ? ? ? 81 ARG B CB 1 +ATOM 2591 C CG . ARG B 1 82 ? 9.374 35.134 157.203 1.00 31.39 ? ? ? ? ? ? 81 ARG B CG 1 +ATOM 2592 C CD . ARG B 1 82 ? 9.751 33.827 156.519 1.00 29.03 ? ? ? ? ? ? 81 ARG B CD 1 +ATOM 2593 N NE . ARG B 1 82 ? 8.574 32.971 156.316 1.00 35.90 ? ? ? ? ? ? 81 ARG B NE 1 +ATOM 2594 C CZ . ARG B 1 82 ? 8.524 31.977 155.424 1.00 38.54 ? ? ? ? ? ? 81 ARG B CZ 1 +ATOM 2595 N NH1 . ARG B 1 82 ? 9.582 31.700 154.672 1.00 32.63 ? ? ? ? ? ? 81 ARG B NH1 1 +ATOM 2596 N NH2 . ARG B 1 82 ? 7.415 31.251 155.283 1.00 39.92 ? ? ? ? ? ? 81 ARG B NH2 1 +ATOM 2597 N N . GLU B 1 83 ? 6.111 36.809 159.043 1.00 27.12 ? ? ? ? ? ? 82 GLU B N 1 +ATOM 2598 C CA . GLU B 1 83 ? 5.002 37.550 158.475 1.00 29.67 ? ? ? ? ? ? 82 GLU B CA 1 +ATOM 2599 C C . GLU B 1 83 ? 4.829 38.944 159.075 1.00 26.86 ? ? ? ? ? ? 82 GLU B C 1 +ATOM 2600 O O . GLU B 1 83 ? 4.044 39.720 158.554 1.00 26.39 ? ? ? ? ? ? 82 GLU B O 1 +ATOM 2601 C CB . GLU B 1 83 ? 3.707 36.743 158.636 1.00 31.35 ? ? ? ? ? ? 82 GLU B CB 1 +ATOM 2602 C CG . GLU B 1 83 ? 3.094 36.806 160.030 1.00 38.54 ? ? ? ? ? ? 82 GLU B CG 1 +ATOM 2603 C CD . GLU B 1 83 ? 2.065 35.679 160.295 1.00 41.55 ? ? ? ? ? ? 82 GLU B CD 1 +ATOM 2604 O OE1 . GLU B 1 83 ? 2.400 34.486 160.023 1.00 53.94 ? ? ? ? ? ? 82 GLU B OE1 1 +ATOM 2605 O OE2 . GLU B 1 83 ? 0.936 36.011 160.775 1.00 52.19 ? ? ? ? ? ? 82 GLU B OE2 1 +ATOM 2606 N N . LEU B 1 84 ? 5.510 39.270 160.173 1.00 24.79 ? ? ? ? ? ? 83 LEU B N 1 +ATOM 2607 C CA . LEU B 1 84 ? 5.429 40.628 160.733 1.00 24.17 ? ? ? ? ? ? 83 LEU B CA 1 +ATOM 2608 C C . LEU B 1 84 ? 6.310 41.579 159.924 1.00 23.66 ? ? ? ? ? ? 83 LEU B C 1 +ATOM 2609 O O . LEU B 1 84 ? 7.439 41.224 159.577 1.00 21.18 ? ? ? ? ? ? 83 LEU B O 1 +ATOM 2610 C CB . LEU B 1 84 ? 5.863 40.667 162.209 1.00 23.98 ? ? ? ? ? ? 83 LEU B CB 1 +ATOM 2611 C CG . LEU B 1 84 ? 5.176 39.739 163.229 1.00 26.30 ? ? ? ? ? ? 83 LEU B CG 1 +ATOM 2612 C CD1 . LEU B 1 84 ? 6.041 39.519 164.498 1.00 21.19 ? ? ? ? ? ? 83 LEU B CD1 1 +ATOM 2613 C CD2 . LEU B 1 84 ? 3.817 40.299 163.585 1.00 24.37 ? ? ? ? ? ? 83 LEU B CD2 1 +ATOM 2614 N N . PRO B 1 85 ? 5.822 42.818 159.665 1.00 23.33 ? ? ? ? ? ? 84 PRO B N 1 +ATOM 2615 C CA . PRO B 1 85 ? 6.587 43.665 158.740 1.00 22.78 ? ? ? ? ? ? 84 PRO B CA 1 +ATOM 2616 C C . PRO B 1 85 ? 8.028 43.882 159.168 1.00 21.54 ? ? ? ? ? ? 84 PRO B C 1 +ATOM 2617 O O . PRO B 1 85 ? 8.312 44.188 160.320 1.00 21.17 ? ? ? ? ? ? 84 PRO B O 1 +ATOM 2618 C CB . PRO B 1 85 ? 5.810 44.999 158.731 1.00 23.30 ? ? ? ? ? ? 84 PRO B CB 1 +ATOM 2619 C CG . PRO B 1 85 ? 4.898 44.965 159.921 1.00 25.51 ? ? ? ? ? ? 84 PRO B CG 1 +ATOM 2620 C CD . PRO B 1 85 ? 4.606 43.499 160.153 1.00 24.72 ? ? ? ? ? ? 84 PRO B CD 1 +ATOM 2621 N N . PHE B 1 86 ? 8.908 43.724 158.202 1.00 21.32 ? ? ? ? ? ? 85 PHE B N 1 +ATOM 2622 C CA . PHE B 1 86 ? 10.323 43.966 158.320 1.00 20.82 ? ? ? ? ? ? 85 PHE B CA 1 +ATOM 2623 C C . PHE B 1 86 ? 11.114 43.012 159.209 1.00 20.54 ? ? ? ? ? ? 85 PHE B C 1 +ATOM 2624 O O . PHE B 1 86 ? 12.281 43.234 159.441 1.00 21.91 ? ? ? ? ? ? 85 PHE B O 1 +ATOM 2625 C CB . PHE B 1 86 ? 10.575 45.420 158.693 1.00 22.33 ? ? ? ? ? ? 85 PHE B CB 1 +ATOM 2626 C CG . PHE B 1 86 ? 9.696 46.383 157.951 1.00 20.11 ? ? ? ? ? ? 85 PHE B CG 1 +ATOM 2627 C CD1 . PHE B 1 86 ? 9.733 46.447 156.574 1.00 21.87 ? ? ? ? ? ? 85 PHE B CD1 1 +ATOM 2628 C CD2 . PHE B 1 86 ? 8.866 47.237 158.635 1.00 20.24 ? ? ? ? ? ? 85 PHE B CD2 1 +ATOM 2629 C CE1 . PHE B 1 86 ? 8.949 47.335 155.905 1.00 23.70 ? ? ? ? ? ? 85 PHE B CE1 1 +ATOM 2630 C CE2 . PHE B 1 86 ? 8.096 48.131 157.970 1.00 22.41 ? ? ? ? ? ? 85 PHE B CE2 1 +ATOM 2631 C CZ . PHE B 1 86 ? 8.128 48.180 156.604 1.00 22.17 ? ? ? ? ? ? 85 PHE B CZ 1 +ATOM 2632 N N . CYS B 1 87 ? 10.491 41.943 159.666 1.00 21.13 ? ? ? ? ? ? 86 CYS B N 1 +ATOM 2633 C CA . CYS B 1 87 ? 11.229 40.843 160.308 1.00 21.45 ? ? ? ? ? ? 86 CYS B CA 1 +ATOM 2634 C C . CYS B 1 87 ? 11.942 39.995 159.248 1.00 21.23 ? ? ? ? ? ? 86 CYS B C 1 +ATOM 2635 O O . CYS B 1 87 ? 11.342 39.607 158.237 1.00 22.84 ? ? ? ? ? ? 86 CYS B O 1 +ATOM 2636 C CB . CYS B 1 87 ? 10.267 39.976 161.112 1.00 21.25 ? ? ? ? ? ? 86 CYS B CB 1 +ATOM 2637 S SG . CYS B 1 87 ? 11.109 38.689 162.059 1.00 22.69 ? ? ? ? ? ? 86 CYS B SG 1 +ATOM 2638 N N . ILE B 1 88 ? 13.215 39.693 159.466 1.00 19.19 ? ? ? ? ? ? 87 ILE B N 1 +ATOM 2639 C CA . ILE B 1 88 ? 13.984 38.971 158.466 1.00 19.46 ? ? ? ? ? ? 87 ILE B CA 1 +ATOM 2640 C C . ILE B 1 88 ? 14.495 37.673 159.036 1.00 18.55 ? ? ? ? ? ? 87 ILE B C 1 +ATOM 2641 O O . ILE B 1 88 ? 15.362 37.684 159.885 1.00 18.99 ? ? ? ? ? ? 87 ILE B O 1 +ATOM 2642 C CB . ILE B 1 88 ? 15.157 39.804 157.966 1.00 19.05 ? ? ? ? ? ? 87 ILE B CB 1 +ATOM 2643 C CG1 . ILE B 1 88 ? 14.670 41.178 157.487 1.00 20.12 ? ? ? ? ? ? 87 ILE B CG1 1 +ATOM 2644 C CG2 . ILE B 1 88 ? 15.935 39.018 156.877 1.00 18.02 ? ? ? ? ? ? 87 ILE B CG2 1 +ATOM 2645 C CD1 . ILE B 1 88 ? 13.728 41.156 156.251 1.00 18.44 ? ? ? ? ? ? 87 ILE B CD1 1 +ATOM 2646 N N . HIS B 1 89 ? 13.936 36.561 158.568 1.00 18.50 ? ? ? ? ? ? 88 HIS B N 1 +ATOM 2647 C CA . HIS B 1 89 ? 14.371 35.229 158.979 1.00 18.37 ? ? ? ? ? ? 88 HIS B CA 1 +ATOM 2648 C C . HIS B 1 89 ? 15.573 34.796 158.137 1.00 17.08 ? ? ? ? ? ? 88 HIS B C 1 +ATOM 2649 O O . HIS B 1 89 ? 15.542 34.890 156.923 1.00 17.53 ? ? ? ? ? ? 88 HIS B O 1 +ATOM 2650 C CB . HIS B 1 89 ? 13.254 34.191 158.869 1.00 16.06 ? ? ? ? ? ? 88 HIS B CB 1 +ATOM 2651 C CG . HIS B 1 89 ? 13.747 32.792 159.019 1.00 17.78 ? ? ? ? ? ? 88 HIS B CG 1 +ATOM 2652 N ND1 . HIS B 1 89 ? 14.208 32.302 160.220 1.00 17.02 ? ? ? ? ? ? 88 HIS B ND1 1 +ATOM 2653 C CD2 . HIS B 1 89 ? 13.933 31.801 158.111 1.00 22.48 ? ? ? ? ? ? 88 HIS B CD2 1 +ATOM 2654 C CE1 . HIS B 1 89 ? 14.649 31.068 160.055 1.00 21.88 ? ? ? ? ? ? 88 HIS B CE1 1 +ATOM 2655 N NE2 . HIS B 1 89 ? 14.500 30.740 158.782 1.00 19.94 ? ? ? ? ? ? 88 HIS B NE2 1 +ATOM 2656 N N . THR B 1 90 ? 16.640 34.394 158.819 1.00 17.56 ? ? ? ? ? ? 89 THR B N 1 +ATOM 2657 C CA . THR B 1 90 ? 17.871 33.949 158.211 1.00 17.02 ? ? ? ? ? ? 89 THR B CA 1 +ATOM 2658 C C . THR B 1 90 ? 17.983 32.452 158.426 1.00 16.85 ? ? ? ? ? ? 89 THR B C 1 +ATOM 2659 O O . THR B 1 90 ? 17.919 31.968 159.566 1.00 17.39 ? ? ? ? ? ? 89 THR B O 1 +ATOM 2660 C CB . THR B 1 90 ? 19.088 34.636 158.850 1.00 17.19 ? ? ? ? ? ? 89 THR B CB 1 +ATOM 2661 O OG1 . THR B 1 90 ? 18.783 36.011 159.075 1.00 19.99 ? ? ? ? ? ? 89 THR B OG1 1 +ATOM 2662 C CG2 . THR B 1 90 ? 20.324 34.522 157.969 1.00 12.12 ? ? ? ? ? ? 89 THR B CG2 1 +ATOM 2663 N N . ARG B 1 91 ? 18.144 31.704 157.334 1.00 14.98 ? ? ? ? ? ? 90 ARG B N 1 +ATOM 2664 C CA . ARG B 1 91 ? 18.418 30.287 157.427 1.00 15.40 ? ? ? ? ? ? 90 ARG B CA 1 +ATOM 2665 C C . ARG B 1 91 ? 19.769 30.067 158.092 1.00 16.90 ? ? ? ? ? ? 90 ARG B C 1 +ATOM 2666 O O . ARG B 1 91 ? 20.675 30.892 157.943 1.00 15.56 ? ? ? ? ? ? 90 ARG B O 1 +ATOM 2667 C CB . ARG B 1 91 ? 18.438 29.679 156.032 1.00 16.66 ? ? ? ? ? ? 90 ARG B CB 1 +ATOM 2668 C CG . ARG B 1 91 ? 17.079 29.547 155.420 1.00 17.06 ? ? ? ? ? ? 90 ARG B CG 1 +ATOM 2669 C CD . ARG B 1 91 ? 17.209 29.116 153.994 1.00 21.63 ? ? ? ? ? ? 90 ARG B CD 1 +ATOM 2670 N NE . ARG B 1 91 ? 17.841 30.183 153.227 1.00 25.99 ? ? ? ? ? ? 90 ARG B NE 1 +ATOM 2671 C CZ . ARG B 1 91 ? 18.175 30.120 151.951 1.00 25.35 ? ? ? ? ? ? 90 ARG B CZ 1 +ATOM 2672 N NH1 . ARG B 1 91 ? 17.991 29.012 151.247 1.00 29.90 ? ? ? ? ? ? 90 ARG B NH1 1 +ATOM 2673 N NH2 . ARG B 1 91 ? 18.710 31.181 151.382 1.00 27.05 ? ? ? ? ? ? 90 ARG B NH2 1 +ATOM 2674 N N . TYR B 1 92 ? 19.882 28.945 158.817 1.00 17.71 ? ? ? ? ? ? 91 TYR B N 1 +ATOM 2675 C CA . TYR B 1 92 ? 21.108 28.541 159.473 1.00 17.19 ? ? ? ? ? ? 91 TYR B CA 1 +ATOM 2676 C C . TYR B 1 92 ? 22.266 28.535 158.466 1.00 15.53 ? ? ? ? ? ? 91 TYR B C 1 +ATOM 2677 O O . TYR B 1 92 ? 23.382 28.991 158.789 1.00 17.28 ? ? ? ? ? ? 91 TYR B O 1 +ATOM 2678 C CB . TYR B 1 92 ? 20.950 27.118 160.104 1.00 19.35 ? ? ? ? ? ? 91 TYR B CB 1 +ATOM 2679 C CG . TYR B 1 92 ? 22.068 26.750 161.062 1.00 18.28 ? ? ? ? ? ? 91 TYR B CG 1 +ATOM 2680 C CD1 . TYR B 1 92 ? 23.322 26.322 160.614 1.00 21.27 ? ? ? ? ? ? 91 TYR B CD1 1 +ATOM 2681 C CD2 . TYR B 1 92 ? 21.857 26.817 162.424 1.00 21.72 ? ? ? ? ? ? 91 TYR B CD2 1 +ATOM 2682 C CE1 . TYR B 1 92 ? 24.351 26.001 161.550 1.00 18.89 ? ? ? ? ? ? 91 TYR B CE1 1 +ATOM 2683 C CE2 . TYR B 1 92 ? 22.833 26.501 163.328 1.00 22.27 ? ? ? ? ? ? 91 TYR B CE2 1 +ATOM 2684 C CZ . TYR B 1 92 ? 24.073 26.094 162.906 1.00 23.19 ? ? ? ? ? ? 91 TYR B CZ 1 +ATOM 2685 O OH . TYR B 1 92 ? 24.993 25.808 163.905 1.00 28.56 ? ? ? ? ? ? 91 TYR B OH 1 +ATOM 2686 N N . ALA B 1 93 ? 22.014 28.014 157.264 1.00 16.12 ? ? ? ? ? ? 92 ALA B N 1 +ATOM 2687 C CA . ALA B 1 93 ? 23.055 27.920 156.216 1.00 16.08 ? ? ? ? ? ? 92 ALA B CA 1 +ATOM 2688 C C . ALA B 1 93 ? 23.560 29.314 155.764 1.00 15.87 ? ? ? ? ? ? 92 ALA B C 1 +ATOM 2689 O O . ALA B 1 93 ? 24.750 29.484 155.399 1.00 15.71 ? ? ? ? ? ? 92 ALA B O 1 +ATOM 2690 C CB . ALA B 1 93 ? 22.530 27.142 155.052 1.00 15.55 ? ? ? ? ? ? 92 ALA B CB 1 +ATOM 2691 N N . THR B 1 94 ? 22.664 30.307 155.834 1.00 15.20 ? ? ? ? ? ? 93 THR B N 1 +ATOM 2692 C CA . THR B 1 94 ? 23.023 31.675 155.521 1.00 14.82 ? ? ? ? ? ? 93 THR B CA 1 +ATOM 2693 C C . THR B 1 94 ? 23.872 32.236 156.632 1.00 15.58 ? ? ? ? ? ? 93 THR B C 1 +ATOM 2694 O O . THR B 1 94 ? 24.889 32.874 156.393 1.00 15.58 ? ? ? ? ? ? 93 THR B O 1 +ATOM 2695 C CB . THR B 1 94 ? 21.797 32.559 155.305 1.00 15.17 ? ? ? ? ? ? 93 THR B CB 1 +ATOM 2696 O OG1 . THR B 1 94 ? 21.015 31.997 154.254 1.00 12.07 ? ? ? ? ? ? 93 THR B OG1 1 +ATOM 2697 C CG2 . THR B 1 94 ? 22.203 34.017 154.910 1.00 11.26 ? ? ? ? ? ? 93 THR B CG2 1 +ATOM 2698 N N . GLN B 1 95 ? 23.472 31.989 157.865 1.00 16.69 ? ? ? ? ? ? 94 GLN B N 1 +ATOM 2699 C CA . GLN B 1 95 ? 24.296 32.421 158.984 1.00 15.91 ? ? ? ? ? ? 94 GLN B CA 1 +ATOM 2700 C C . GLN B 1 95 ? 25.679 31.788 158.889 1.00 15.51 ? ? ? ? ? ? 94 GLN B C 1 +ATOM 2701 O O . GLN B 1 95 ? 26.692 32.471 159.073 1.00 14.91 ? ? ? ? ? ? 94 GLN B O 1 +ATOM 2702 C CB . GLN B 1 95 ? 23.632 32.088 160.296 1.00 16.17 ? ? ? ? ? ? 94 GLN B CB 1 +ATOM 2703 C CG . GLN B 1 95 ? 22.281 32.793 160.472 1.00 18.06 ? ? ? ? ? ? 94 GLN B CG 1 +ATOM 2704 C CD . GLN B 1 95 ? 21.712 32.546 161.827 1.00 17.33 ? ? ? ? ? ? 94 GLN B CD 1 +ATOM 2705 O OE1 . GLN B 1 95 ? 21.690 31.410 162.284 1.00 19.94 ? ? ? ? ? ? 94 GLN B OE1 1 +ATOM 2706 N NE2 . GLN B 1 95 ? 21.278 33.603 162.498 1.00 16.62 ? ? ? ? ? ? 94 GLN B NE2 1 +ATOM 2707 N N . GLN B 1 96 ? 25.725 30.482 158.601 1.00 16.68 ? ? ? ? ? ? 95 GLN B N 1 +ATOM 2708 C CA . GLN B 1 96 ? 26.995 29.772 158.576 1.00 16.72 ? ? ? ? ? ? 95 GLN B CA 1 +ATOM 2709 C C . GLN B 1 96 ? 27.901 30.284 157.454 1.00 15.37 ? ? ? ? ? ? 95 GLN B C 1 +ATOM 2710 O O . GLN B 1 96 ? 29.111 30.394 157.646 1.00 17.22 ? ? ? ? ? ? 95 GLN B O 1 +ATOM 2711 C CB . GLN B 1 96 ? 26.786 28.251 158.498 1.00 17.21 ? ? ? ? ? ? 95 GLN B CB 1 +ATOM 2712 C CG . GLN B 1 96 ? 28.046 27.467 158.415 1.00 17.17 ? ? ? ? ? ? 95 GLN B CG 1 +ATOM 2713 C CD . GLN B 1 96 ? 27.817 25.933 158.296 1.00 27.21 ? ? ? ? ? ? 95 GLN B CD 1 +ATOM 2714 O OE1 . GLN B 1 96 ? 27.484 25.261 159.260 1.00 34.63 ? ? ? ? ? ? 95 GLN B OE1 1 +ATOM 2715 N NE2 . GLN B 1 96 ? 28.046 25.389 157.096 1.00 41.00 ? ? ? ? ? ? 95 GLN B NE2 1 +ATOM 2716 N N . ALA B 1 97 ? 27.331 30.571 156.283 1.00 15.76 ? ? ? ? ? ? 96 ALA B N 1 +ATOM 2717 C CA . ALA B 1 97 ? 28.054 31.211 155.186 1.00 15.30 ? ? ? ? ? ? 96 ALA B CA 1 +ATOM 2718 C C . ALA B 1 97 ? 28.664 32.556 155.625 1.00 16.38 ? ? ? ? ? ? 96 ALA B C 1 +ATOM 2719 O O . ALA B 1 97 ? 29.855 32.846 155.339 1.00 14.75 ? ? ? ? ? ? 96 ALA B O 1 +ATOM 2720 C CB . ALA B 1 97 ? 27.131 31.378 153.965 1.00 14.82 ? ? ? ? ? ? 96 ALA B CB 1 +ATOM 2721 N N . ILE B 1 98 ? 27.900 33.330 156.398 1.00 15.98 ? ? ? ? ? ? 97 ILE B N 1 +ATOM 2722 C CA . ILE B 1 98 ? 28.392 34.621 156.959 1.00 14.86 ? ? ? ? ? ? 97 ILE B CA 1 +ATOM 2723 C C . ILE B 1 98 ? 29.604 34.462 157.897 1.00 15.89 ? ? ? ? ? ? 97 ILE B C 1 +ATOM 2724 O O . ILE B 1 98 ? 30.619 35.125 157.699 1.00 15.66 ? ? ? ? ? ? 97 ILE B O 1 +ATOM 2725 C CB . ILE B 1 98 ? 27.240 35.466 157.635 1.00 17.76 ? ? ? ? ? ? 97 ILE B CB 1 +ATOM 2726 C CG1 . ILE B 1 98 ? 26.264 35.984 156.570 1.00 14.34 ? ? ? ? ? ? 97 ILE B CG1 1 +ATOM 2727 C CG2 . ILE B 1 98 ? 27.799 36.670 158.445 1.00 15.33 ? ? ? ? ? ? 97 ILE B CG2 1 +ATOM 2728 C CD1 . ILE B 1 98 ? 24.933 36.442 157.075 1.00 11.41 ? ? ? ? ? ? 97 ILE B CD1 1 +ATOM 2729 N N . LEU B 1 99 ? 29.504 33.559 158.884 1.00 16.58 ? ? ? ? ? ? 98 LEU B N 1 +ATOM 2730 C CA . LEU B 1 99 ? 30.597 33.309 159.835 1.00 16.94 ? ? ? ? ? ? 98 LEU B CA 1 +ATOM 2731 C C . LEU B 1 99 ? 31.827 32.760 159.168 1.00 17.35 ? ? ? ? ? ? 98 LEU B C 1 +ATOM 2732 O O . LEU B 1 99 ? 32.922 33.153 159.519 1.00 18.37 ? ? ? ? ? ? 98 LEU B O 1 +ATOM 2733 C CB . LEU B 1 99 ? 30.163 32.343 160.954 1.00 17.57 ? ? ? ? ? ? 98 LEU B CB 1 +ATOM 2734 C CG . LEU B 1 99 ? 31.063 32.219 162.186 1.00 18.28 ? ? ? ? ? ? 98 LEU B CG 1 +ATOM 2735 C CD1 . LEU B 1 99 ? 31.255 33.588 162.865 1.00 15.70 ? ? ? ? ? ? 98 LEU B CD1 1 +ATOM 2736 C CD2 . LEU B 1 99 ? 30.482 31.165 163.161 1.00 15.83 ? ? ? ? ? ? 98 LEU B CD2 1 +ATOM 2737 N N . GLU B 1 100 ? 31.647 31.818 158.239 1.00 18.19 ? ? ? ? ? ? 99 GLU B N 1 +ATOM 2738 C CA . GLU B 1 100 ? 32.759 31.307 157.408 1.00 18.12 ? ? ? ? ? ? 99 GLU B CA 1 +ATOM 2739 C C . GLU B 1 100 ? 33.500 32.410 156.684 1.00 17.84 ? ? ? ? ? ? 99 GLU B C 1 +ATOM 2740 O O . GLU B 1 100 ? 34.727 32.386 156.613 1.00 17.48 ? ? ? ? ? ? 99 GLU B O 1 +ATOM 2741 C CB . GLU B 1 100 ? 32.256 30.306 156.338 1.00 19.10 ? ? ? ? ? ? 99 GLU B CB 1 +ATOM 2742 C CG . GLU B 1 100 ? 31.764 28.974 156.878 1.00 18.85 ? ? ? ? ? ? 99 GLU B CG 1 +ATOM 2743 C CD . GLU B 1 100 ? 31.079 28.022 155.846 1.00 23.67 ? ? ? ? ? ? 99 GLU B CD 1 +ATOM 2744 O OE1 . GLU B 1 100 ? 30.744 28.408 154.692 1.00 24.38 ? ? ? ? ? ? 99 GLU B OE1 1 +ATOM 2745 O OE2 . GLU B 1 100 ? 30.848 26.841 156.241 1.00 28.22 ? ? ? ? ? ? 99 GLU B OE2 1 +ATOM 2746 N N . ASP B 1 101 ? 32.760 33.357 156.103 1.00 16.92 ? ? ? ? ? ? 100 ASP B N 1 +ATOM 2747 C CA . ASP B 1 101 ? 33.401 34.516 155.441 1.00 17.06 ? ? ? ? ? ? 100 ASP B CA 1 +ATOM 2748 C C . ASP B 1 101 ? 34.118 35.430 156.427 1.00 17.52 ? ? ? ? ? ? 100 ASP B C 1 +ATOM 2749 O O . ASP B 1 101 ? 35.210 35.910 156.122 1.00 18.25 ? ? ? ? ? ? 100 ASP B O 1 +ATOM 2750 C CB . ASP B 1 101 ? 32.415 35.296 154.515 1.00 14.86 ? ? ? ? ? ? 100 ASP B CB 1 +ATOM 2751 C CG . ASP B 1 101 ? 32.031 34.505 153.266 1.00 18.87 ? ? ? ? ? ? 100 ASP B CG 1 +ATOM 2752 O OD1 . ASP B 1 101 ? 32.585 33.406 153.054 1.00 25.68 ? ? ? ? ? ? 100 ASP B OD1 1 +ATOM 2753 O OD2 . ASP B 1 101 ? 31.156 34.934 152.490 1.00 19.93 ? ? ? ? ? ? 100 ASP B OD2 1 +ATOM 2754 N N . ILE B 1 102 ? 33.524 35.661 157.606 1.00 17.93 ? ? ? ? ? ? 101 ILE B N 1 +ATOM 2755 C CA . ILE B 1 102 ? 34.149 36.492 158.655 1.00 16.13 ? ? ? ? ? ? 101 ILE B CA 1 +ATOM 2756 C C . ILE B 1 102 ? 35.451 35.853 159.165 1.00 16.80 ? ? ? ? ? ? 101 ILE B C 1 +ATOM 2757 O O . ILE B 1 102 ? 36.495 36.496 159.170 1.00 18.05 ? ? ? ? ? ? 101 ILE B O 1 +ATOM 2758 C CB . ILE B 1 102 ? 33.168 36.800 159.836 1.00 17.15 ? ? ? ? ? ? 101 ILE B CB 1 +ATOM 2759 C CG1 . ILE B 1 102 ? 32.082 37.778 159.384 1.00 19.21 ? ? ? ? ? ? 101 ILE B CG1 1 +ATOM 2760 C CG2 . ILE B 1 102 ? 33.915 37.409 161.097 1.00 16.09 ? ? ? ? ? ? 101 ILE B CG2 1 +ATOM 2761 C CD1 . ILE B 1 102 ? 30.892 37.945 160.380 1.00 16.50 ? ? ? ? ? ? 101 ILE B CD1 1 +ATOM 2762 N N . VAL B 1 103 ? 35.380 34.586 159.537 1.00 17.27 ? ? ? ? ? ? 102 VAL B N 1 +ATOM 2763 C CA . VAL B 1 103 ? 36.512 33.853 160.090 1.00 17.44 ? ? ? ? ? ? 102 VAL B CA 1 +ATOM 2764 C C . VAL B 1 103 ? 37.607 33.684 159.048 1.00 18.35 ? ? ? ? ? ? 102 VAL B C 1 +ATOM 2765 O O . VAL B 1 103 ? 38.788 33.798 159.365 1.00 19.14 ? ? ? ? ? ? 102 VAL B O 1 +ATOM 2766 C CB . VAL B 1 103 ? 36.073 32.437 160.654 1.00 19.02 ? ? ? ? ? ? 102 VAL B CB 1 +ATOM 2767 C CG1 . VAL B 1 103 ? 37.257 31.557 160.976 1.00 17.85 ? ? ? ? ? ? 102 VAL B CG1 1 +ATOM 2768 C CG2 . VAL B 1 103 ? 35.144 32.574 161.870 1.00 14.21 ? ? ? ? ? ? 102 VAL B CG2 1 +ATOM 2769 N N . SER B 1 104 ? 37.235 33.411 157.800 1.00 17.90 ? ? ? ? ? ? 103 SER B N 1 +ATOM 2770 C CA . SER B 1 104 ? 38.241 33.284 156.733 1.00 19.51 ? ? ? ? ? ? 103 SER B CA 1 +ATOM 2771 C C . SER B 1 104 ? 39.012 34.596 156.553 1.00 18.34 ? ? ? ? ? ? 103 SER B C 1 +ATOM 2772 O O . SER B 1 104 ? 40.208 34.582 156.319 1.00 19.85 ? ? ? ? ? ? 103 SER B O 1 +ATOM 2773 C CB . SER B 1 104 ? 37.548 32.895 155.416 1.00 22.32 ? ? ? ? ? ? 103 SER B CB 1 +ATOM 2774 O OG . SER B 1 104 ? 38.474 32.852 154.343 1.00 27.68 ? ? ? ? ? ? 103 SER B OG 1 +ATOM 2775 N N . SER B 1 105 ? 38.330 35.743 156.624 1.00 18.26 ? ? ? ? ? ? 104 SER B N 1 +ATOM 2776 C CA . SER B 1 105 ? 39.042 37.037 156.513 1.00 18.22 ? ? ? ? ? ? 104 SER B CA 1 +ATOM 2777 C C . SER B 1 105 ? 39.938 37.342 157.736 1.00 17.37 ? ? ? ? ? ? 104 SER B C 1 +ATOM 2778 O O . SER B 1 105 ? 41.108 37.652 157.572 1.00 18.07 ? ? ? ? ? ? 104 SER B O 1 +ATOM 2779 C CB . SER B 1 105 ? 38.064 38.169 156.248 1.00 19.55 ? ? ? ? ? ? 104 SER B CB 1 +ATOM 2780 O OG . SER B 1 105 ? 37.487 37.997 154.971 1.00 21.91 ? ? ? ? ? ? 104 SER B OG 1 +ATOM 2781 N N . LEU B 1 106 ? 39.392 37.208 158.946 1.00 17.74 ? ? ? ? ? ? 105 LEU B N 1 +ATOM 2782 C CA . LEU B 1 106 ? 40.134 37.468 160.157 1.00 17.35 ? ? ? ? ? ? 105 LEU B CA 1 +ATOM 2783 C C . LEU B 1 106 ? 41.329 36.533 160.228 1.00 18.82 ? ? ? ? ? ? 105 LEU B C 1 +ATOM 2784 O O . LEU B 1 106 ? 42.427 36.933 160.631 1.00 18.96 ? ? ? ? ? ? 105 LEU B O 1 +ATOM 2785 C CB . LEU B 1 106 ? 39.243 37.290 161.385 1.00 17.54 ? ? ? ? ? ? 105 LEU B CB 1 +ATOM 2786 C CG . LEU B 1 106 ? 37.992 38.155 161.586 1.00 19.66 ? ? ? ? ? ? 105 LEU B CG 1 +ATOM 2787 C CD1 . LEU B 1 106 ? 37.203 37.667 162.813 1.00 14.04 ? ? ? ? ? ? 105 LEU B CD1 1 +ATOM 2788 C CD2 . LEU B 1 106 ? 38.324 39.619 161.698 1.00 17.38 ? ? ? ? ? ? 105 LEU B CD2 1 +ATOM 2789 N N . HIS B 1 107 ? 41.148 35.287 159.819 1.00 19.21 ? ? ? ? ? ? 106 HIS B N 1 +ATOM 2790 C CA . HIS B 1 107 ? 42.259 34.338 159.847 1.00 21.47 ? ? ? ? ? ? 106 HIS B CA 1 +ATOM 2791 C C . HIS B 1 107 ? 43.469 34.766 158.967 1.00 21.04 ? ? ? ? ? ? 106 HIS B C 1 +ATOM 2792 O O . HIS B 1 107 ? 44.605 34.694 159.418 1.00 22.73 ? ? ? ? ? ? 106 HIS B O 1 +ATOM 2793 C CB . HIS B 1 107 ? 41.791 32.924 159.463 1.00 21.98 ? ? ? ? ? ? 106 HIS B CB 1 +ATOM 2794 C CG . HIS B 1 107 ? 42.841 31.881 159.678 1.00 22.00 ? ? ? ? ? ? 106 HIS B CG 1 +ATOM 2795 N ND1 . HIS B 1 107 ? 43.768 31.547 158.712 1.00 25.31 ? ? ? ? ? ? 106 HIS B ND1 1 +ATOM 2796 C CD2 . HIS B 1 107 ? 43.129 31.122 160.762 1.00 22.57 ? ? ? ? ? ? 106 HIS B CD2 1 +ATOM 2797 C CE1 . HIS B 1 107 ? 44.580 30.627 159.197 1.00 28.63 ? ? ? ? ? ? 106 HIS B CE1 1 +ATOM 2798 N NE2 . HIS B 1 107 ? 44.219 30.361 160.443 1.00 25.76 ? ? ? ? ? ? 106 HIS B NE2 1 +ATOM 2799 N N . VAL B 1 108 ? 43.204 35.205 157.734 1.00 21.79 ? ? ? ? ? ? 107 VAL B N 1 +ATOM 2800 C CA . VAL B 1 108 ? 44.211 35.740 156.807 1.00 23.03 ? ? ? ? ? ? 107 VAL B CA 1 +ATOM 2801 C C . VAL B 1 108 ? 44.910 36.982 157.359 1.00 22.57 ? ? ? ? ? ? 107 VAL B C 1 +ATOM 2802 O O . VAL B 1 108 ? 46.100 37.239 157.096 1.00 23.04 ? ? ? ? ? ? 107 VAL B O 1 +ATOM 2803 C CB . VAL B 1 108 ? 43.557 36.119 155.447 1.00 26.37 ? ? ? ? ? ? 107 VAL B CB 1 +ATOM 2804 C CG1 . VAL B 1 108 ? 44.490 36.987 154.609 1.00 29.88 ? ? ? ? ? ? 107 VAL B CG1 1 +ATOM 2805 C CG2 . VAL B 1 108 ? 43.173 34.871 154.675 1.00 19.24 ? ? ? ? ? ? 107 VAL B CG2 1 +ATOM 2806 N N . GLN B 1 109 ? 44.170 37.749 158.137 1.00 22.01 ? ? ? ? ? ? 108 GLN B N 1 +ATOM 2807 C CA . GLN B 1 109 ? 44.694 38.929 158.806 1.00 21.56 ? ? ? ? ? ? 108 GLN B CA 1 +ATOM 2808 C C . GLN B 1 109 ? 45.516 38.580 160.037 1.00 23.06 ? ? ? ? ? ? 108 GLN B C 1 +ATOM 2809 O O . GLN B 1 109 ? 46.113 39.463 160.658 1.00 23.34 ? ? ? ? ? ? 108 GLN B O 1 +ATOM 2810 C CB . GLN B 1 109 ? 43.536 39.834 159.202 1.00 21.06 ? ? ? ? ? ? 108 GLN B CB 1 +ATOM 2811 C CG . GLN B 1 109 ? 42.760 40.325 158.011 1.00 18.87 ? ? ? ? ? ? 108 GLN B CG 1 +ATOM 2812 C CD . GLN B 1 109 ? 41.431 40.823 158.395 1.00 18.88 ? ? ? ? ? ? 108 GLN B CD 1 +ATOM 2813 O OE1 . GLN B 1 109 ? 41.224 41.157 159.559 1.00 22.73 ? ? ? ? ? ? 108 GLN B OE1 1 +ATOM 2814 N NE2 . GLN B 1 109 ? 40.500 40.885 157.433 1.00 14.82 ? ? ? ? ? ? 108 GLN B NE2 1 +ATOM 2815 N N . GLY B 1 110 ? 45.500 37.314 160.436 1.00 22.65 ? ? ? ? ? ? 109 GLY B N 1 +ATOM 2816 C CA . GLY B 1 110 ? 46.348 36.875 161.538 1.00 22.09 ? ? ? ? ? ? 109 GLY B CA 1 +ATOM 2817 C C . GLY B 1 110 ? 45.657 36.788 162.877 1.00 22.36 ? ? ? ? ? ? 109 GLY B C 1 +ATOM 2818 O O . GLY B 1 110 ? 46.295 36.429 163.850 1.00 21.97 ? ? ? ? ? ? 109 GLY B O 1 +ATOM 2819 N N . PHE B 1 111 ? 44.353 37.070 162.930 1.00 20.88 ? ? ? ? ? ? 110 PHE B N 1 +ATOM 2820 C CA . PHE B 1 111 ? 43.601 36.951 164.160 1.00 19.28 ? ? ? ? ? ? 110 PHE B CA 1 +ATOM 2821 C C . PHE B 1 111 ? 43.272 35.487 164.480 1.00 20.48 ? ? ? ? ? ? 110 PHE B C 1 +ATOM 2822 O O . PHE B 1 111 ? 43.053 34.679 163.563 1.00 21.29 ? ? ? ? ? ? 110 PHE B O 1 +ATOM 2823 C CB . PHE B 1 111 ? 42.354 37.802 164.054 1.00 21.83 ? ? ? ? ? ? 110 PHE B CB 1 +ATOM 2824 C CG . PHE B 1 111 ? 42.655 39.265 163.918 1.00 19.07 ? ? ? ? ? ? 110 PHE B CG 1 +ATOM 2825 C CD1 . PHE B 1 111 ? 43.356 39.931 164.928 1.00 23.68 ? ? ? ? ? ? 110 PHE B CD1 1 +ATOM 2826 C CD2 . PHE B 1 111 ? 42.239 39.987 162.818 1.00 20.75 ? ? ? ? ? ? 110 PHE B CD2 1 +ATOM 2827 C CE1 . PHE B 1 111 ? 43.657 41.307 164.831 1.00 21.94 ? ? ? ? ? ? 110 PHE B CE1 1 +ATOM 2828 C CE2 . PHE B 1 111 ? 42.537 41.355 162.706 1.00 22.51 ? ? ? ? ? ? 110 PHE B CE2 1 +ATOM 2829 C CZ . PHE B 1 111 ? 43.251 42.014 163.727 1.00 21.14 ? ? ? ? ? ? 110 PHE B CZ 1 +ATOM 2830 N N . ARG B 1 112 ? 43.270 35.127 165.767 1.00 19.85 ? ? ? ? ? ? 111 ARG B N 1 +ATOM 2831 C CA . ARG B 1 112 ? 43.110 33.739 166.185 1.00 21.20 ? ? ? ? ? ? 111 ARG B CA 1 +ATOM 2832 C C . ARG B 1 112 ? 42.115 33.510 167.303 1.00 20.63 ? ? ? ? ? ? 111 ARG B C 1 +ATOM 2833 O O . ARG B 1 112 ? 41.985 32.387 167.789 1.00 20.91 ? ? ? ? ? ? 111 ARG B O 1 +ATOM 2834 C CB . ARG B 1 112 ? 44.463 33.186 166.620 1.00 21.00 ? ? ? ? ? ? 111 ARG B CB 1 +ATOM 2835 C CG . ARG B 1 112 ? 45.474 33.069 165.510 1.00 22.39 ? ? ? ? ? ? 111 ARG B CG 1 +ATOM 2836 C CD . ARG B 1 112 ? 45.084 32.057 164.454 1.00 22.73 ? ? ? ? ? ? 111 ARG B CD 1 +ATOM 2837 N NE . ARG B 1 112 ? 46.099 31.961 163.405 1.00 22.62 ? ? ? ? ? ? 111 ARG B NE 1 +ATOM 2838 C CZ . ARG B 1 112 ? 46.160 32.718 162.302 1.00 25.78 ? ? ? ? ? ? 111 ARG B CZ 1 +ATOM 2839 N NH1 . ARG B 1 112 ? 45.257 33.668 162.023 1.00 21.22 ? ? ? ? ? ? 111 ARG B NH1 1 +ATOM 2840 N NH2 . ARG B 1 112 ? 47.139 32.508 161.442 1.00 23.69 ? ? ? ? ? ? 111 ARG B NH2 1 +ATOM 2841 N N . LYS B 1 113 ? 41.385 34.556 167.697 1.00 20.04 ? ? ? ? ? ? 112 LYS B N 1 +ATOM 2842 C CA . LYS B 1 113 ? 40.493 34.494 168.847 1.00 20.49 ? ? ? ? ? ? 112 LYS B CA 1 +ATOM 2843 C C . LYS B 1 113 ? 39.291 35.398 168.630 1.00 19.38 ? ? ? ? ? ? 112 LYS B C 1 +ATOM 2844 O O . LYS B 1 113 ? 39.441 36.600 168.449 1.00 19.63 ? ? ? ? ? ? 112 LYS B O 1 +ATOM 2845 C CB . LYS B 1 113 ? 41.233 34.944 170.107 1.00 23.36 ? ? ? ? ? ? 112 LYS B CB 1 +ATOM 2846 C CG . LYS B 1 113 ? 42.272 33.995 170.619 1.00 23.79 ? ? ? ? ? ? 112 LYS B CG 1 +ATOM 2847 C CD . LYS B 1 113 ? 43.239 34.704 171.528 1.00 34.89 ? ? ? ? ? ? 112 LYS B CD 1 +ATOM 2848 C CE . LYS B 1 113 ? 44.353 33.779 171.986 1.00 38.98 ? ? ? ? ? ? 112 LYS B CE 1 +ATOM 2849 N NZ . LYS B 1 113 ? 45.115 34.403 173.086 1.00 43.60 ? ? ? ? ? ? 112 LYS B NZ 1 +ATOM 2850 N N . LEU B 1 114 ? 38.116 34.790 168.623 1.00 19.03 ? ? ? ? ? ? 113 LEU B N 1 +ATOM 2851 C CA . LEU B 1 114 ? 36.848 35.457 168.292 1.00 18.44 ? ? ? ? ? ? 113 LEU B CA 1 +ATOM 2852 C C . LEU B 1 114 ? 35.816 35.086 169.335 1.00 17.89 ? ? ? ? ? ? 113 LEU B C 1 +ATOM 2853 O O . LEU B 1 114 ? 35.715 33.913 169.693 1.00 19.00 ? ? ? ? ? ? 113 LEU B O 1 +ATOM 2854 C CB . LEU B 1 114 ? 36.349 35.001 166.891 1.00 16.99 ? ? ? ? ? ? 113 LEU B CB 1 +ATOM 2855 C CG . LEU B 1 114 ? 34.956 35.499 166.434 1.00 17.56 ? ? ? ? ? ? 113 LEU B CG 1 +ATOM 2856 C CD1 . LEU B 1 114 ? 35.005 36.992 166.257 1.00 12.40 ? ? ? ? ? ? 113 LEU B CD1 1 +ATOM 2857 C CD2 . LEU B 1 114 ? 34.452 34.814 165.162 1.00 20.12 ? ? ? ? ? ? 113 LEU B CD2 1 +ATOM 2858 N N . LEU B 1 115 ? 35.053 36.079 169.803 1.00 18.01 ? ? ? ? ? ? 114 LEU B N 1 +ATOM 2859 C CA . LEU B 1 115 ? 33.847 35.864 170.601 1.00 17.55 ? ? ? ? ? ? 114 LEU B CA 1 +ATOM 2860 C C . LEU B 1 115 ? 32.612 36.373 169.824 1.00 17.25 ? ? ? ? ? ? 114 LEU B C 1 +ATOM 2861 O O . LEU B 1 115 ? 32.532 37.530 169.447 1.00 18.69 ? ? ? ? ? ? 114 LEU B O 1 +ATOM 2862 C CB . LEU B 1 115 ? 33.904 36.595 171.969 1.00 17.97 ? ? ? ? ? ? 114 LEU B CB 1 +ATOM 2863 C CG . LEU B 1 115 ? 32.606 36.545 172.840 1.00 18.47 ? ? ? ? ? ? 114 LEU B CG 1 +ATOM 2864 C CD1 . LEU B 1 115 ? 32.358 35.136 173.475 1.00 14.85 ? ? ? ? ? ? 114 LEU B CD1 1 +ATOM 2865 C CD2 . LEU B 1 115 ? 32.595 37.615 173.918 1.00 15.04 ? ? ? ? ? ? 114 LEU B CD2 1 +ATOM 2866 N N . ILE B 1 116 ? 31.654 35.501 169.622 1.00 17.36 ? ? ? ? ? ? 115 ILE B N 1 +ATOM 2867 C CA . ILE B 1 116 ? 30.375 35.869 169.057 1.00 17.68 ? ? ? ? ? ? 115 ILE B CA 1 +ATOM 2868 C C . ILE B 1 116 ? 29.514 36.198 170.250 1.00 17.94 ? ? ? ? ? ? 115 ILE B C 1 +ATOM 2869 O O . ILE B 1 116 ? 29.213 35.319 171.055 1.00 18.06 ? ? ? ? ? ? 115 ILE B O 1 +ATOM 2870 C CB . ILE B 1 116 ? 29.713 34.708 168.277 1.00 17.82 ? ? ? ? ? ? 115 ILE B CB 1 +ATOM 2871 C CG1 . ILE B 1 116 ? 30.628 34.187 167.180 1.00 19.03 ? ? ? ? ? ? 115 ILE B CG1 1 +ATOM 2872 C CG2 . ILE B 1 116 ? 28.380 35.166 167.691 1.00 15.06 ? ? ? ? ? ? 115 ILE B CG2 1 +ATOM 2873 C CD1 . ILE B 1 116 ? 30.044 32.867 166.561 1.00 18.00 ? ? ? ? ? ? 115 ILE B CD1 1 +ATOM 2874 N N . LEU B 1 117 ? 29.135 37.457 170.377 1.00 17.46 ? ? ? ? ? ? 116 LEU B N 1 +ATOM 2875 C CA . LEU B 1 117 ? 28.292 37.867 171.481 1.00 17.08 ? ? ? ? ? ? 116 LEU B CA 1 +ATOM 2876 C C . LEU B 1 117 ? 26.923 38.116 170.909 1.00 17.57 ? ? ? ? ? ? 116 LEU B C 1 +ATOM 2877 O O . LEU B 1 117 ? 26.692 39.100 170.227 1.00 18.05 ? ? ? ? ? ? 116 LEU B O 1 +ATOM 2878 C CB . LEU B 1 117 ? 28.840 39.090 172.186 1.00 18.03 ? ? ? ? ? ? 116 LEU B CB 1 +ATOM 2879 C CG . LEU B 1 117 ? 28.081 39.491 173.472 1.00 19.67 ? ? ? ? ? ? 116 LEU B CG 1 +ATOM 2880 C CD1 . LEU B 1 117 ? 28.257 38.442 174.583 1.00 15.49 ? ? ? ? ? ? 116 LEU B CD1 1 +ATOM 2881 C CD2 . LEU B 1 117 ? 28.540 40.884 173.914 1.00 15.98 ? ? ? ? ? ? 116 LEU B CD2 1 +ATOM 2882 N N . SER B 1 118 ? 25.997 37.208 171.185 1.00 18.34 ? ? ? ? ? ? 117 SER B N 1 +ATOM 2883 C CA . SER B 1 118 ? 24.706 37.289 170.588 1.00 18.23 ? ? ? ? ? ? 117 SER B CA 1 +ATOM 2884 C C . SER B 1 118 ? 23.718 38.077 171.451 1.00 20.40 ? ? ? ? ? ? 117 SER B C 1 +ATOM 2885 O O . SER B 1 118 ? 23.790 38.077 172.682 1.00 20.89 ? ? ? ? ? ? 117 SER B O 1 +ATOM 2886 C CB . SER B 1 118 ? 24.151 35.903 170.324 1.00 15.92 ? ? ? ? ? ? 117 SER B CB 1 +ATOM 2887 O OG . SER B 1 118 ? 22.851 36.023 169.768 1.00 21.36 ? ? ? ? ? ? 117 SER B OG 1 +ATOM 2888 N N . GLY B 1 119 ? 22.758 38.687 170.766 1.00 20.68 ? ? ? ? ? ? 118 GLY B N 1 +ATOM 2889 C CA . GLY B 1 119 ? 21.633 39.335 171.384 1.00 20.53 ? ? ? ? ? ? 118 GLY B CA 1 +ATOM 2890 C C . GLY B 1 119 ? 20.323 38.712 171.040 1.00 19.96 ? ? ? ? ? ? 118 GLY B C 1 +ATOM 2891 O O . GLY B 1 119 ? 19.316 39.253 171.399 1.00 21.68 ? ? ? ? ? ? 118 GLY B O 1 +ATOM 2892 N N . HIS B 1 120 ? 20.322 37.565 170.371 1.00 19.96 ? ? ? ? ? ? 119 HIS B N 1 +ATOM 2893 C CA . HIS B 1 120 ? 19.080 36.894 169.969 1.00 21.24 ? ? ? ? ? ? 119 HIS B CA 1 +ATOM 2894 C C . HIS B 1 120 ? 19.153 35.396 170.312 1.00 22.50 ? ? ? ? ? ? 119 HIS B C 1 +ATOM 2895 O O . HIS B 1 120 ? 20.033 34.668 169.816 1.00 23.47 ? ? ? ? ? ? 119 HIS B O 1 +ATOM 2896 C CB . HIS B 1 120 ? 18.841 37.123 168.469 1.00 20.60 ? ? ? ? ? ? 119 HIS B CB 1 +ATOM 2897 C CG . HIS B 1 120 ? 17.681 36.378 167.893 1.00 20.88 ? ? ? ? ? ? 119 HIS B CG 1 +ATOM 2898 N ND1 . HIS B 1 120 ? 16.393 36.553 168.331 1.00 19.63 ? ? ? ? ? ? 119 HIS B ND1 1 +ATOM 2899 C CD2 . HIS B 1 120 ? 17.611 35.488 166.869 1.00 22.27 ? ? ? ? ? ? 119 HIS B CD2 1 +ATOM 2900 C CE1 . HIS B 1 120 ? 15.573 35.817 167.597 1.00 24.62 ? ? ? ? ? ? 119 HIS B CE1 1 +ATOM 2901 N NE2 . HIS B 1 120 ? 16.292 35.153 166.706 1.00 25.13 ? ? ? ? ? ? 119 HIS B NE2 1 +ATOM 2902 N N . GLY B 1 121 ? 18.238 34.978 171.196 1.00 22.69 ? ? ? ? ? ? 120 GLY B N 1 +ATOM 2903 C CA . GLY B 1 121 ? 18.128 33.599 171.671 1.00 23.25 ? ? ? ? ? ? 120 GLY B CA 1 +ATOM 2904 C C . GLY B 1 121 ? 17.875 32.556 170.584 1.00 23.70 ? ? ? ? ? ? 120 GLY B C 1 +ATOM 2905 O O . GLY B 1 121 ? 18.324 31.414 170.718 1.00 24.83 ? ? ? ? ? ? 120 GLY B O 1 +ATOM 2906 N N . GLY B 1 122 ? 17.201 32.967 169.501 1.00 23.47 ? ? ? ? ? ? 121 GLY B N 1 +ATOM 2907 C CA . GLY B 1 122 ? 17.004 32.129 168.321 1.00 22.66 ? ? ? ? ? ? 121 GLY B CA 1 +ATOM 2908 C C . GLY B 1 122 ? 18.268 31.731 167.564 1.00 22.66 ? ? ? ? ? ? 121 GLY B C 1 +ATOM 2909 O O . GLY B 1 122 ? 18.222 30.822 166.751 1.00 22.90 ? ? ? ? ? ? 121 GLY B O 1 +ATOM 2910 N N . ASN B 1 123 ? 19.375 32.446 167.789 1.00 22.36 ? ? ? ? ? ? 122 ASN B N 1 +ATOM 2911 C CA . ASN B 1 123 ? 20.659 32.135 167.179 1.00 21.53 ? ? ? ? ? ? 122 ASN B CA 1 +ATOM 2912 C C . ASN B 1 123 ? 21.369 31.021 167.935 1.00 22.09 ? ? ? ? ? ? 122 ASN B C 1 +ATOM 2913 O O . ASN B 1 123 ? 21.433 31.028 169.157 1.00 21.88 ? ? ? ? ? ? 122 ASN B O 1 +ATOM 2914 C CB . ASN B 1 123 ? 21.602 33.371 167.105 1.00 21.90 ? ? ? ? ? ? 122 ASN B CB 1 +ATOM 2915 C CG . ASN B 1 123 ? 21.064 34.498 166.230 1.00 19.94 ? ? ? ? ? ? 122 ASN B CG 1 +ATOM 2916 O OD1 . ASN B 1 123 ? 20.284 34.262 165.302 1.00 21.33 ? ? ? ? ? ? 122 ASN B OD1 1 +ATOM 2917 N ND2 . ASN B 1 123 ? 21.455 35.739 166.542 1.00 18.19 ? ? ? ? ? ? 122 ASN B ND2 1 +ATOM 2918 N N . ASN B 1 124 ? 21.919 30.068 167.192 1.00 21.20 ? ? ? ? ? ? 123 ASN B N 1 +ATOM 2919 C CA . ASN B 1 124 ? 22.637 28.932 167.740 1.00 22.38 ? ? ? ? ? ? 123 ASN B CA 1 +ATOM 2920 C C . ASN B 1 124 ? 23.910 28.752 166.918 1.00 20.65 ? ? ? ? ? ? 123 ASN B C 1 +ATOM 2921 O O . ASN B 1 124 ? 23.838 28.614 165.713 1.00 21.52 ? ? ? ? ? ? 123 ASN B O 1 +ATOM 2922 C CB . ASN B 1 124 ? 21.723 27.706 167.658 1.00 24.99 ? ? ? ? ? ? 123 ASN B CB 1 +ATOM 2923 C CG . ASN B 1 124 ? 20.562 27.762 168.668 1.00 31.33 ? ? ? ? ? ? 123 ASN B CG 1 +ATOM 2924 O OD1 . ASN B 1 124 ? 20.777 27.597 169.881 1.00 41.34 ? ? ? ? ? ? 123 ASN B OD1 1 +ATOM 2925 N ND2 . ASN B 1 124 ? 19.342 27.996 168.179 1.00 27.32 ? ? ? ? ? ? 123 ASN B ND2 1 +ATOM 2926 N N . PHE B 1 125 ? 25.073 28.826 167.552 1.00 20.14 ? ? ? ? ? ? 124 PHE B N 1 +ATOM 2927 C CA . PHE B 1 125 ? 26.373 28.813 166.833 1.00 19.32 ? ? ? ? ? ? 124 PHE B CA 1 +ATOM 2928 C C . PHE B 1 125 ? 27.233 27.589 167.134 1.00 18.89 ? ? ? ? ? ? 124 PHE B C 1 +ATOM 2929 O O . PHE B 1 125 ? 28.362 27.512 166.674 1.00 19.12 ? ? ? ? ? ? 124 PHE B O 1 +ATOM 2930 C CB . PHE B 1 125 ? 27.203 30.118 167.114 1.00 20.27 ? ? ? ? ? ? 124 PHE B CB 1 +ATOM 2931 C CG . PHE B 1 125 ? 26.438 31.408 166.825 1.00 19.82 ? ? ? ? ? ? 124 PHE B CG 1 +ATOM 2932 C CD1 . PHE B 1 125 ? 26.315 31.884 165.526 1.00 19.86 ? ? ? ? ? ? 124 PHE B CD1 1 +ATOM 2933 C CD2 . PHE B 1 125 ? 25.810 32.097 167.842 1.00 19.18 ? ? ? ? ? ? 124 PHE B CD2 1 +ATOM 2934 C CE1 . PHE B 1 125 ? 25.581 32.999 165.245 1.00 18.24 ? ? ? ? ? ? 124 PHE B CE1 1 +ATOM 2935 C CE2 . PHE B 1 125 ? 25.069 33.247 167.577 1.00 18.99 ? ? ? ? ? ? 124 PHE B CE2 1 +ATOM 2936 C CZ . PHE B 1 125 ? 24.955 33.699 166.277 1.00 18.55 ? ? ? ? ? ? 124 PHE B CZ 1 +ATOM 2937 N N . LYS B 1 126 ? 26.729 26.633 167.908 1.00 19.12 ? ? ? ? ? ? 125 LYS B N 1 +ATOM 2938 C CA . LYS B 1 126 ? 27.585 25.519 168.321 1.00 19.05 ? ? ? ? ? ? 125 LYS B CA 1 +ATOM 2939 C C . LYS B 1 126 ? 28.003 24.627 167.146 1.00 18.66 ? ? ? ? ? ? 125 LYS B C 1 +ATOM 2940 O O . LYS B 1 126 ? 29.153 24.219 167.058 1.00 20.66 ? ? ? ? ? ? 125 LYS B O 1 +ATOM 2941 C CB . LYS B 1 126 ? 26.917 24.699 169.424 1.00 17.89 ? ? ? ? ? ? 125 LYS B CB 1 +ATOM 2942 C CG . LYS B 1 126 ? 26.774 25.445 170.751 1.00 17.93 ? ? ? ? ? ? 125 LYS B CG 1 +ATOM 2943 C CD . LYS B 1 126 ? 26.277 24.509 171.856 1.00 23.75 ? ? ? ? ? ? 125 LYS B CD 1 +ATOM 2944 C CE . LYS B 1 126 ? 26.009 25.268 173.164 1.00 26.22 ? ? ? ? ? ? 125 LYS B CE 1 +ATOM 2945 N NZ . LYS B 1 126 ? 25.387 24.342 174.152 1.00 30.70 ? ? ? ? ? ? 125 LYS B NZ 1 +ATOM 2946 N N . GLY B 1 127 ? 27.058 24.297 166.280 1.00 17.77 ? ? ? ? ? ? 126 GLY B N 1 +ATOM 2947 C CA . GLY B 1 127 ? 27.322 23.487 165.083 1.00 18.21 ? ? ? ? ? ? 126 GLY B CA 1 +ATOM 2948 C C . GLY B 1 127 ? 28.278 24.195 164.132 1.00 19.46 ? ? ? ? ? ? 126 GLY B C 1 +ATOM 2949 O O . GLY B 1 127 ? 29.188 23.558 163.589 1.00 17.89 ? ? ? ? ? ? 126 GLY B O 1 +ATOM 2950 N N . MSE B 1 128 ? 28.116 25.517 163.957 1.00 19.53 ? ? ? ? ? ? 127 MSE B N 1 +ATOM 2951 C CA . MSE B 1 128 ? 29.017 26.283 163.079 1.00 19.16 ? ? ? ? ? ? 127 MSE B CA 1 +ATOM 2952 C C . MSE B 1 128 ? 30.428 26.278 163.646 1.00 18.30 ? ? ? ? ? ? 127 MSE B C 1 +ATOM 2953 O O . MSE B 1 128 ? 31.408 26.099 162.902 1.00 17.45 ? ? ? ? ? ? 127 MSE B O 1 +ATOM 2954 C CB . MSE B 1 128 ? 28.585 27.748 162.955 1.00 22.24 ? ? ? ? ? ? 127 MSE B CB 1 +ATOM 2955 C CG . MSE B 1 128 ? 27.208 27.988 162.460 1.00 22.41 ? ? ? ? ? ? 127 MSE B CG 1 +ATOM 2956 SE SE . MSE B 1 128 ? 26.718 29.848 162.355 0.75 16.98 ? ? ? ? ? ? 127 MSE B SE 1 +ATOM 2957 C CE . MSE B 1 128 ? 24.820 29.531 162.519 1.00 12.00 ? ? ? ? ? ? 127 MSE B CE 1 +ATOM 2958 N N . ILE B 1 129 ? 30.525 26.509 164.956 1.00 18.43 ? ? ? ? ? ? 128 ILE B N 1 +ATOM 2959 C CA . ILE B 1 129 ? 31.792 26.541 165.682 1.00 18.25 ? ? ? ? ? ? 128 ILE B CA 1 +ATOM 2960 C C . ILE B 1 129 ? 32.485 25.178 165.615 1.00 17.98 ? ? ? ? ? ? 128 ILE B C 1 +ATOM 2961 O O . ILE B 1 129 ? 33.691 25.098 165.459 1.00 18.12 ? ? ? ? ? ? 128 ILE B O 1 +ATOM 2962 C CB . ILE B 1 129 ? 31.611 26.953 167.179 1.00 16.45 ? ? ? ? ? ? 128 ILE B CB 1 +ATOM 2963 C CG1 . ILE B 1 129 ? 31.240 28.424 167.272 1.00 21.24 ? ? ? ? ? ? 128 ILE B CG1 1 +ATOM 2964 C CG2 . ILE B 1 129 ? 32.945 26.773 167.981 1.00 15.57 ? ? ? ? ? ? 128 ILE B CG2 1 +ATOM 2965 C CD1 . ILE B 1 129 ? 30.920 28.875 168.687 1.00 16.55 ? ? ? ? ? ? 128 ILE B CD1 1 +ATOM 2966 N N . ARG B 1 130 ? 31.729 24.107 165.768 1.00 17.91 ? ? ? ? ? ? 129 ARG B N 1 +ATOM 2967 C CA . ARG B 1 130 ? 32.314 22.773 165.672 1.00 18.23 ? ? ? ? ? ? 129 ARG B CA 1 +ATOM 2968 C C . ARG B 1 130 ? 32.930 22.532 164.295 1.00 19.25 ? ? ? ? ? ? 129 ARG B C 1 +ATOM 2969 O O . ARG B 1 130 ? 34.038 22.027 164.189 1.00 20.04 ? ? ? ? ? ? 129 ARG B O 1 +ATOM 2970 C CB . ARG B 1 130 ? 31.274 21.699 165.942 1.00 17.31 ? ? ? ? ? ? 129 ARG B CB 1 +ATOM 2971 C CG . ARG B 1 130 ? 31.026 21.477 167.402 1.00 21.09 ? ? ? ? ? ? 129 ARG B CG 1 +ATOM 2972 C CD . ARG B 1 130 ? 30.049 20.322 167.643 1.00 20.88 ? ? ? ? ? ? 129 ARG B CD 1 +ATOM 2973 N NE . ARG B 1 130 ? 30.091 19.942 169.049 1.00 22.23 ? ? ? ? ? ? 129 ARG B NE 1 +ATOM 2974 C CZ . ARG B 1 130 ? 29.204 20.327 169.960 1.00 22.44 ? ? ? ? ? ? 129 ARG B CZ 1 +ATOM 2975 N NH1 . ARG B 1 130 ? 28.165 21.080 169.636 1.00 26.48 ? ? ? ? ? ? 129 ARG B NH1 1 +ATOM 2976 N NH2 . ARG B 1 130 ? 29.350 19.949 171.211 1.00 24.86 ? ? ? ? ? ? 129 ARG B NH2 1 +ATOM 2977 N N . ASP B 1 131 ? 32.185 22.890 163.247 1.00 18.89 ? ? ? ? ? ? 130 ASP B N 1 +ATOM 2978 C CA . ASP B 1 131 ? 32.647 22.697 161.887 1.00 19.17 ? ? ? ? ? ? 130 ASP B CA 1 +ATOM 2979 C C . ASP B 1 131 ? 33.870 23.547 161.549 1.00 19.63 ? ? ? ? ? ? 130 ASP B C 1 +ATOM 2980 O O . ASP B 1 131 ? 34.800 23.050 160.905 1.00 20.42 ? ? ? ? ? ? 130 ASP B O 1 +ATOM 2981 C CB . ASP B 1 131 ? 31.504 22.922 160.912 1.00 20.03 ? ? ? ? ? ? 130 ASP B CB 1 +ATOM 2982 C CG . ASP B 1 131 ? 30.475 21.793 160.959 1.00 20.65 ? ? ? ? ? ? 130 ASP B CG 1 +ATOM 2983 O OD1 . ASP B 1 131 ? 30.849 20.698 161.406 1.00 22.93 ? ? ? ? ? ? 130 ASP B OD1 1 +ATOM 2984 O OD2 . ASP B 1 131 ? 29.328 21.986 160.532 1.00 24.20 ? ? ? ? ? ? 130 ASP B OD2 1 +ATOM 2985 N N . LEU B 1 132 ? 33.886 24.779 162.030 1.00 18.90 ? ? ? ? ? ? 131 LEU B N 1 +ATOM 2986 C CA . LEU B 1 132 ? 35.001 25.684 161.810 1.00 19.78 ? ? ? ? ? ? 131 LEU B CA 1 +ATOM 2987 C C . LEU B 1 132 ? 36.242 25.317 162.639 1.00 20.60 ? ? ? ? ? ? 131 LEU B C 1 +ATOM 2988 O O . LEU B 1 132 ? 37.360 25.695 162.257 1.00 21.30 ? ? ? ? ? ? 131 LEU B O 1 +ATOM 2989 C CB . LEU B 1 132 ? 34.585 27.131 162.075 1.00 19.00 ? ? ? ? ? ? 131 LEU B CB 1 +ATOM 2990 C CG . LEU B 1 132 ? 33.700 27.798 161.004 1.00 17.42 ? ? ? ? ? ? 131 LEU B CG 1 +ATOM 2991 C CD1 . LEU B 1 132 ? 32.979 28.997 161.561 1.00 20.29 ? ? ? ? ? ? 131 LEU B CD1 1 +ATOM 2992 C CD2 . LEU B 1 132 ? 34.526 28.232 159.794 1.00 17.89 ? ? ? ? ? ? 131 LEU B CD2 1 +ATOM 2993 N N . ALA B 1 133 ? 36.054 24.589 163.743 1.00 20.91 ? ? ? ? ? ? 132 ALA B N 1 +ATOM 2994 C CA . ALA B 1 133 ? 37.174 24.075 164.538 1.00 21.92 ? ? ? ? ? ? 132 ALA B CA 1 +ATOM 2995 C C . ALA B 1 133 ? 37.978 23.062 163.755 1.00 22.05 ? ? ? ? ? ? 132 ALA B C 1 +ATOM 2996 O O . ALA B 1 133 ? 39.163 22.952 163.954 1.00 23.89 ? ? ? ? ? ? 132 ALA B O 1 +ATOM 2997 C CB . ALA B 1 133 ? 36.696 23.459 165.846 1.00 19.63 ? ? ? ? ? ? 132 ALA B CB 1 +ATOM 2998 N N . PHE B 1 134 ? 37.342 22.319 162.864 1.00 24.09 ? ? ? ? ? ? 133 PHE B N 1 +ATOM 2999 C CA . PHE B 1 134 ? 38.087 21.401 161.987 1.00 25.35 ? ? ? ? ? ? 133 PHE B CA 1 +ATOM 3000 C C . PHE B 1 134 ? 38.749 22.128 160.793 1.00 26.24 ? ? ? ? ? ? 133 PHE B C 1 +ATOM 3001 O O . PHE B 1 134 ? 39.865 21.793 160.413 1.00 27.42 ? ? ? ? ? ? 133 PHE B O 1 +ATOM 3002 C CB . PHE B 1 134 ? 37.180 20.232 161.546 1.00 25.65 ? ? ? ? ? ? 133 PHE B CB 1 +ATOM 3003 C CG . PHE B 1 134 ? 36.726 19.346 162.708 1.00 25.09 ? ? ? ? ? ? 133 PHE B CG 1 +ATOM 3004 C CD1 . PHE B 1 134 ? 37.646 18.680 163.494 1.00 27.43 ? ? ? ? ? ? 133 PHE B CD1 1 +ATOM 3005 C CD2 . PHE B 1 134 ? 35.393 19.196 163.017 1.00 25.94 ? ? ? ? ? ? 133 PHE B CD2 1 +ATOM 3006 C CE1 . PHE B 1 134 ? 37.229 17.891 164.560 1.00 23.89 ? ? ? ? ? ? 133 PHE B CE1 1 +ATOM 3007 C CE2 . PHE B 1 134 ? 34.987 18.398 164.067 1.00 22.30 ? ? ? ? ? ? 133 PHE B CE2 1 +ATOM 3008 C CZ . PHE B 1 134 ? 35.907 17.761 164.830 1.00 21.46 ? ? ? ? ? ? 133 PHE B CZ 1 +ATOM 3009 N N . GLU B 1 135 ? 38.092 23.154 160.246 1.00 27.23 ? ? ? ? ? ? 134 GLU B N 1 +ATOM 3010 C CA . GLU B 1 135 ? 38.667 23.942 159.135 1.00 28.97 ? ? ? ? ? ? 134 GLU B CA 1 +ATOM 3011 C C . GLU B 1 135 ? 39.795 24.824 159.621 1.00 25.87 ? ? ? ? ? ? 134 GLU B C 1 +ATOM 3012 O O . GLU B 1 135 ? 40.796 24.939 158.977 1.00 25.30 ? ? ? ? ? ? 134 GLU B O 1 +ATOM 3013 C CB . GLU B 1 135 ? 37.623 24.830 158.455 1.00 31.08 ? ? ? ? ? ? 134 GLU B CB 1 +ATOM 3014 C CG . GLU B 1 135 ? 36.410 24.101 157.919 1.00 46.43 ? ? ? ? ? ? 134 GLU B CG 1 +ATOM 3015 C CD . GLU B 1 135 ? 36.766 23.167 156.769 1.00 63.06 ? ? ? ? ? ? 134 GLU B CD 1 +ATOM 3016 O OE1 . GLU B 1 135 ? 37.199 23.696 155.712 1.00 69.08 ? ? ? ? ? ? 134 GLU B OE1 1 +ATOM 3017 O OE2 . GLU B 1 135 ? 36.623 21.919 156.933 1.00 64.51 ? ? ? ? ? ? 134 GLU B OE2 1 +ATOM 3018 N N . TYR B 1 136 ? 39.630 25.453 160.770 1.00 23.67 ? ? ? ? ? ? 135 TYR B N 1 +ATOM 3019 C CA . TYR B 1 136 ? 40.645 26.345 161.284 1.00 22.17 ? ? ? ? ? ? 135 TYR B CA 1 +ATOM 3020 C C . TYR B 1 136 ? 40.970 25.960 162.716 1.00 22.82 ? ? ? ? ? ? 135 TYR B C 1 +ATOM 3021 O O . TYR B 1 136 ? 40.521 26.598 163.652 1.00 20.54 ? ? ? ? ? ? 135 TYR B O 1 +ATOM 3022 C CB . TYR B 1 136 ? 40.162 27.805 161.224 1.00 22.52 ? ? ? ? ? ? 135 TYR B CB 1 +ATOM 3023 C CG . TYR B 1 136 ? 39.714 28.328 159.877 1.00 19.44 ? ? ? ? ? ? 135 TYR B CG 1 +ATOM 3024 C CD1 . TYR B 1 136 ? 40.597 28.969 159.033 1.00 24.02 ? ? ? ? ? ? 135 TYR B CD1 1 +ATOM 3025 C CD2 . TYR B 1 136 ? 38.394 28.237 159.477 1.00 24.40 ? ? ? ? ? ? 135 TYR B CD2 1 +ATOM 3026 C CE1 . TYR B 1 136 ? 40.179 29.486 157.814 1.00 26.66 ? ? ? ? ? ? 135 TYR B CE1 1 +ATOM 3027 C CE2 . TYR B 1 136 ? 37.973 28.736 158.253 1.00 20.69 ? ? ? ? ? ? 135 TYR B CE2 1 +ATOM 3028 C CZ . TYR B 1 136 ? 38.873 29.355 157.434 1.00 23.30 ? ? ? ? ? ? 135 TYR B CZ 1 +ATOM 3029 O OH . TYR B 1 136 ? 38.480 29.841 156.225 1.00 24.56 ? ? ? ? ? ? 135 TYR B OH 1 +ATOM 3030 N N . PRO B 1 137 ? 41.772 24.907 162.889 1.00 24.99 ? ? ? ? ? ? 136 PRO B N 1 +ATOM 3031 C CA . PRO B 1 137 ? 42.098 24.415 164.212 1.00 25.87 ? ? ? ? ? ? 136 PRO B CA 1 +ATOM 3032 C C . PRO B 1 137 ? 42.924 25.343 165.078 1.00 25.71 ? ? ? ? ? ? 136 PRO B C 1 +ATOM 3033 O O . PRO B 1 137 ? 42.952 25.132 166.288 1.00 27.22 ? ? ? ? ? ? 136 PRO B O 1 +ATOM 3034 C CB . PRO B 1 137 ? 42.860 23.114 163.936 1.00 26.88 ? ? ? ? ? ? 136 PRO B CB 1 +ATOM 3035 C CG . PRO B 1 137 ? 43.348 23.247 162.563 1.00 29.60 ? ? ? ? ? ? 136 PRO B CG 1 +ATOM 3036 C CD . PRO B 1 137 ? 42.366 24.071 161.833 1.00 27.40 ? ? ? ? ? ? 136 PRO B CD 1 +ATOM 3037 N N . ASP B 1 138 ? 43.564 26.356 164.493 1.00 25.69 ? ? ? ? ? ? 137 ASP B N 1 +ATOM 3038 C CA . ASP B 1 138 ? 44.296 27.377 165.280 1.00 25.84 ? ? ? ? ? ? 137 ASP B CA 1 +ATOM 3039 C C . ASP B 1 138 ? 43.464 28.592 165.676 1.00 24.36 ? ? ? ? ? ? 137 ASP B C 1 +ATOM 3040 O O . ASP B 1 138 ? 43.995 29.481 166.301 1.00 24.28 ? ? ? ? ? ? 137 ASP B O 1 +ATOM 3041 C CB . ASP B 1 138 ? 45.609 27.840 164.596 1.00 26.26 ? ? ? ? ? ? 137 ASP B CB 1 +ATOM 3042 C CG . ASP B 1 138 ? 45.420 28.315 163.159 1.00 33.49 ? ? ? ? ? ? 137 ASP B CG 1 +ATOM 3043 O OD1 . ASP B 1 138 ? 44.301 28.169 162.574 1.00 33.81 ? ? ? ? ? ? 137 ASP B OD1 1 +ATOM 3044 O OD2 . ASP B 1 138 ? 46.434 28.813 162.598 1.00 40.84 ? ? ? ? ? ? 137 ASP B OD2 1 +ATOM 3045 N N . PHE B 1 139 ? 42.167 28.603 165.341 1.00 23.24 ? ? ? ? ? ? 138 PHE B N 1 +ATOM 3046 C CA . PHE B 1 139 ? 41.265 29.742 165.521 1.00 21.37 ? ? ? ? ? ? 138 PHE B CA 1 +ATOM 3047 C C . PHE B 1 139 ? 40.207 29.407 166.598 1.00 21.28 ? ? ? ? ? ? 138 PHE B C 1 +ATOM 3048 O O . PHE B 1 139 ? 39.356 28.524 166.409 1.00 21.89 ? ? ? ? ? ? 138 PHE B O 1 +ATOM 3049 C CB . PHE B 1 139 ? 40.601 30.078 164.179 1.00 23.23 ? ? ? ? ? ? 138 PHE B CB 1 +ATOM 3050 C CG . PHE B 1 139 ? 40.050 31.482 164.094 1.00 22.15 ? ? ? ? ? ? 138 PHE B CG 1 +ATOM 3051 C CD1 . PHE B 1 139 ? 38.823 31.795 164.671 1.00 30.99 ? ? ? ? ? ? 138 PHE B CD1 1 +ATOM 3052 C CD2 . PHE B 1 139 ? 40.758 32.484 163.457 1.00 23.49 ? ? ? ? ? ? 138 PHE B CD2 1 +ATOM 3053 C CE1 . PHE B 1 139 ? 38.323 33.069 164.609 1.00 29.02 ? ? ? ? ? ? 138 PHE B CE1 1 +ATOM 3054 C CE2 . PHE B 1 139 ? 40.253 33.788 163.379 1.00 23.78 ? ? ? ? ? ? 138 PHE B CE2 1 +ATOM 3055 C CZ . PHE B 1 139 ? 39.046 34.079 163.954 1.00 26.13 ? ? ? ? ? ? 138 PHE B CZ 1 +ATOM 3056 N N . LEU B 1 140 ? 40.294 30.086 167.735 1.00 21.27 ? ? ? ? ? ? 139 LEU B N 1 +ATOM 3057 C CA . LEU B 1 140 ? 39.370 29.893 168.830 1.00 21.68 ? ? ? ? ? ? 139 LEU B CA 1 +ATOM 3058 C C . LEU B 1 140 ? 38.108 30.716 168.600 1.00 21.07 ? ? ? ? ? ? 139 LEU B C 1 +ATOM 3059 O O . LEU B 1 140 ? 38.160 31.938 168.409 1.00 22.09 ? ? ? ? ? ? 139 LEU B O 1 +ATOM 3060 C CB . LEU B 1 140 ? 40.030 30.270 170.166 1.00 24.71 ? ? ? ? ? ? 139 LEU B CB 1 +ATOM 3061 C CG . LEU B 1 140 ? 39.166 30.122 171.430 1.00 23.95 ? ? ? ? ? ? 139 LEU B CG 1 +ATOM 3062 C CD1 . LEU B 1 140 ? 38.867 28.671 171.659 1.00 23.49 ? ? ? ? ? ? 139 LEU B CD1 1 +ATOM 3063 C CD2 . LEU B 1 140 ? 39.933 30.733 172.587 1.00 23.33 ? ? ? ? ? ? 139 LEU B CD2 1 +ATOM 3064 N N . ILE B 1 141 ? 36.977 30.027 168.600 1.00 19.76 ? ? ? ? ? ? 140 ILE B N 1 +ATOM 3065 C CA . ILE B 1 141 ? 35.679 30.679 168.572 1.00 19.44 ? ? ? ? ? ? 140 ILE B CA 1 +ATOM 3066 C C . ILE B 1 141 ? 34.879 30.301 169.811 1.00 19.10 ? ? ? ? ? ? 140 ILE B C 1 +ATOM 3067 O O . ILE B 1 141 ? 34.612 29.147 170.038 1.00 18.76 ? ? ? ? ? ? 140 ILE B O 1 +ATOM 3068 C CB . ILE B 1 141 ? 34.842 30.338 167.302 1.00 19.09 ? ? ? ? ? ? 140 ILE B CB 1 +ATOM 3069 C CG1 . ILE B 1 141 ? 35.656 30.568 166.009 1.00 20.19 ? ? ? ? ? ? 140 ILE B CG1 1 +ATOM 3070 C CG2 . ILE B 1 141 ? 33.558 31.167 167.301 1.00 16.57 ? ? ? ? ? ? 140 ILE B CG2 1 +ATOM 3071 C CD1 . ILE B 1 141 ? 34.901 30.284 164.712 1.00 15.49 ? ? ? ? ? ? 140 ILE B CD1 1 +ATOM 3072 N N . ALA B 1 142 ? 34.504 31.318 170.585 1.00 19.45 ? ? ? ? ? ? 141 ALA B N 1 +ATOM 3073 C CA . ALA B 1 142 ? 33.567 31.197 171.694 1.00 18.40 ? ? ? ? ? ? 141 ALA B CA 1 +ATOM 3074 C C . ALA B 1 142 ? 32.243 31.893 171.335 1.00 18.12 ? ? ? ? ? ? 141 ALA B C 1 +ATOM 3075 O O . ALA B 1 142 ? 32.252 32.868 170.578 1.00 19.66 ? ? ? ? ? ? 141 ALA B O 1 +ATOM 3076 C CB . ALA B 1 142 ? 34.179 31.808 172.940 1.00 19.62 ? ? ? ? ? ? 141 ALA B CB 1 +ATOM 3077 N N . ALA B 1 143 ? 31.120 31.408 171.877 1.00 17.40 ? ? ? ? ? ? 142 ALA B N 1 +ATOM 3078 C CA . ALA B 1 143 ? 29.835 32.080 171.782 1.00 18.03 ? ? ? ? ? ? 142 ALA B CA 1 +ATOM 3079 C C . ALA B 1 143 ? 29.177 32.318 173.182 1.00 19.37 ? ? ? ? ? ? 142 ALA B C 1 +ATOM 3080 O O . ALA B 1 143 ? 29.295 31.487 174.078 1.00 19.37 ? ? ? ? ? ? 142 ALA B O 1 +ATOM 3081 C CB . ALA B 1 143 ? 28.881 31.269 170.879 1.00 16.63 ? ? ? ? ? ? 142 ALA B CB 1 +ATOM 3082 N N . ALA B 1 144 ? 28.467 33.451 173.330 1.00 19.84 ? ? ? ? ? ? 143 ALA B N 1 +ATOM 3083 C CA . ALA B 1 144 ? 27.628 33.738 174.525 1.00 20.57 ? ? ? ? ? ? 143 ALA B CA 1 +ATOM 3084 C C . ALA B 1 144 ? 26.440 34.602 174.142 1.00 20.59 ? ? ? ? ? ? 143 ALA B C 1 +ATOM 3085 O O . ALA B 1 144 ? 26.589 35.467 173.306 1.00 20.27 ? ? ? ? ? ? 143 ALA B O 1 +ATOM 3086 C CB . ALA B 1 144 ? 28.442 34.454 175.618 1.00 19.68 ? ? ? ? ? ? 143 ALA B CB 1 +ATOM 3087 N N . ASN B 1 145 ? 25.284 34.393 174.780 1.00 20.48 ? ? ? ? ? ? 144 ASN B N 1 +ATOM 3088 C CA . ASN B 1 145 ? 24.212 35.379 174.818 1.00 21.34 ? ? ? ? ? ? 144 ASN B CA 1 +ATOM 3089 C C . ASN B 1 145 ? 24.463 36.411 175.941 1.00 21.33 ? ? ? ? ? ? 144 ASN B C 1 +ATOM 3090 O O . ASN B 1 145 ? 24.696 36.015 177.081 1.00 21.24 ? ? ? ? ? ? 144 ASN B O 1 +ATOM 3091 C CB . ASN B 1 145 ? 22.852 34.707 175.075 1.00 23.85 ? ? ? ? ? ? 144 ASN B CB 1 +ATOM 3092 C CG . ASN B 1 145 ? 22.338 33.892 173.875 1.00 27.19 ? ? ? ? ? ? 144 ASN B CG 1 +ATOM 3093 O OD1 . ASN B 1 145 ? 22.201 34.412 172.765 1.00 23.06 ? ? ? ? ? ? 144 ASN B OD1 1 +ATOM 3094 N ND2 . ASN B 1 145 ? 22.036 32.612 174.117 1.00 21.68 ? ? ? ? ? ? 144 ASN B ND2 1 +ATOM 3095 N N . TRP B 1 146 ? 24.393 37.717 175.650 1.00 19.94 ? ? ? ? ? ? 145 TRP B N 1 +ATOM 3096 C CA . TRP B 1 146 ? 24.785 38.724 176.691 1.00 20.66 ? ? ? ? ? ? 145 TRP B CA 1 +ATOM 3097 C C . TRP B 1 146 ? 23.845 38.577 177.887 1.00 20.41 ? ? ? ? ? ? 145 TRP B C 1 +ATOM 3098 O O . TRP B 1 146 ? 24.239 38.797 178.994 1.00 20.98 ? ? ? ? ? ? 145 TRP B O 1 +ATOM 3099 C CB . TRP B 1 146 ? 24.794 40.193 176.178 1.00 20.39 ? ? ? ? ? ? 145 TRP B CB 1 +ATOM 3100 C CG . TRP B 1 146 ? 23.422 40.692 175.852 1.00 18.31 ? ? ? ? ? ? 145 TRP B CG 1 +ATOM 3101 C CD1 . TRP B 1 146 ? 22.806 40.614 174.659 1.00 19.66 ? ? ? ? ? ? 145 TRP B CD1 1 +ATOM 3102 C CD2 . TRP B 1 146 ? 22.464 41.269 176.763 1.00 21.53 ? ? ? ? ? ? 145 TRP B CD2 1 +ATOM 3103 N NE1 . TRP B 1 146 ? 21.522 41.095 174.750 1.00 21.58 ? ? ? ? ? ? 145 TRP B NE1 1 +ATOM 3104 C CE2 . TRP B 1 146 ? 21.282 41.508 176.030 1.00 18.07 ? ? ? ? ? ? 145 TRP B CE2 1 +ATOM 3105 C CE3 . TRP B 1 146 ? 22.479 41.573 178.133 1.00 22.95 ? ? ? ? ? ? 145 TRP B CE3 1 +ATOM 3106 C CZ2 . TRP B 1 146 ? 20.138 42.078 176.603 1.00 19.38 ? ? ? ? ? ? 145 TRP B CZ2 1 +ATOM 3107 C CZ3 . TRP B 1 146 ? 21.327 42.137 178.707 1.00 19.05 ? ? ? ? ? ? 145 TRP B CZ3 1 +ATOM 3108 C CH2 . TRP B 1 146 ? 20.178 42.371 177.942 1.00 21.79 ? ? ? ? ? ? 145 TRP B CH2 1 +ATOM 3109 N N . PHE B 1 147 ? 22.600 38.187 177.644 1.00 21.56 ? ? ? ? ? ? 146 PHE B N 1 +ATOM 3110 C CA . PHE B 1 147 ? 21.588 38.145 178.690 1.00 21.06 ? ? ? ? ? ? 146 PHE B CA 1 +ATOM 3111 C C . PHE B 1 147 ? 21.643 36.872 179.562 1.00 21.55 ? ? ? ? ? ? 146 PHE B C 1 +ATOM 3112 O O . PHE B 1 147 ? 20.834 36.714 180.473 1.00 23.39 ? ? ? ? ? ? 146 PHE B O 1 +ATOM 3113 C CB . PHE B 1 147 ? 20.202 38.344 178.067 1.00 21.24 ? ? ? ? ? ? 146 PHE B CB 1 +ATOM 3114 C CG . PHE B 1 147 ? 19.933 37.448 176.918 1.00 21.80 ? ? ? ? ? ? 146 PHE B CG 1 +ATOM 3115 C CD1 . PHE B 1 147 ? 19.503 36.158 177.123 1.00 24.71 ? ? ? ? ? ? 146 PHE B CD1 1 +ATOM 3116 C CD2 . PHE B 1 147 ? 20.121 37.889 175.609 1.00 23.96 ? ? ? ? ? ? 146 PHE B CD2 1 +ATOM 3117 C CE1 . PHE B 1 147 ? 19.243 35.300 176.049 1.00 26.14 ? ? ? ? ? ? 146 PHE B CE1 1 +ATOM 3118 C CE2 . PHE B 1 147 ? 19.871 37.045 174.522 1.00 27.15 ? ? ? ? ? ? 146 PHE B CE2 1 +ATOM 3119 C CZ . PHE B 1 147 ? 19.424 35.747 174.748 1.00 27.55 ? ? ? ? ? ? 146 PHE B CZ 1 +ATOM 3120 N N . GLU B 1 148 ? 22.593 35.976 179.271 1.00 21.95 ? ? ? ? ? ? 147 GLU B N 1 +ATOM 3121 C CA . GLU B 1 148 ? 22.900 34.789 180.087 1.00 21.48 ? ? ? ? ? ? 147 GLU B CA 1 +ATOM 3122 C C . GLU B 1 148 ? 24.245 34.877 180.817 1.00 22.16 ? ? ? ? ? ? 147 GLU B C 1 +ATOM 3123 O O . GLU B 1 148 ? 24.631 33.962 181.538 1.00 24.48 ? ? ? ? ? ? 147 GLU B O 1 +ATOM 3124 C CB . GLU B 1 148 ? 22.903 33.543 179.214 1.00 20.81 ? ? ? ? ? ? 147 GLU B CB 1 +ATOM 3125 C CG . GLU B 1 148 ? 21.608 33.289 178.457 1.00 24.70 ? ? ? ? ? ? 147 GLU B CG 1 +ATOM 3126 C CD . GLU B 1 148 ? 21.659 32.006 177.598 1.00 25.40 ? ? ? ? ? ? 147 GLU B CD 1 +ATOM 3127 O OE1 . GLU B 1 148 ? 22.754 31.575 177.141 1.00 28.64 ? ? ? ? ? ? 147 GLU B OE1 1 +ATOM 3128 O OE2 . GLU B 1 148 ? 20.593 31.424 177.404 1.00 32.05 ? ? ? ? ? ? 147 GLU B OE2 1 +ATOM 3129 N N . VAL B 1 149 ? 24.979 35.956 180.659 1.00 23.22 ? ? ? ? ? ? 148 VAL B N 1 +ATOM 3130 C CA . VAL B 1 149 ? 26.234 36.115 181.390 1.00 22.15 ? ? ? ? ? ? 148 VAL B CA 1 +ATOM 3131 C C . VAL B 1 149 ? 25.944 36.312 182.887 1.00 23.88 ? ? ? ? ? ? 148 VAL B C 1 +ATOM 3132 O O . VAL B 1 149 ? 26.741 35.906 183.731 1.00 23.05 ? ? ? ? ? ? 148 VAL B O 1 +ATOM 3133 C CB . VAL B 1 149 ? 27.079 37.245 180.796 1.00 21.59 ? ? ? ? ? ? 148 VAL B CB 1 +ATOM 3134 C CG1 . VAL B 1 149 ? 28.189 37.632 181.705 1.00 20.56 ? ? ? ? ? ? 148 VAL B CG1 1 +ATOM 3135 C CG2 . VAL B 1 149 ? 27.644 36.826 179.388 1.00 20.07 ? ? ? ? ? ? 148 VAL B CG2 1 +ATOM 3136 N N . VAL B 1 150 ? 24.815 36.952 183.203 1.00 23.42 ? ? ? ? ? ? 149 VAL B N 1 +ATOM 3137 C CA . VAL B 1 150 ? 24.335 37.106 184.581 1.00 23.06 ? ? ? ? ? ? 149 VAL B CA 1 +ATOM 3138 C C . VAL B 1 150 ? 22.828 36.868 184.563 1.00 24.42 ? ? ? ? ? ? 149 VAL B C 1 +ATOM 3139 O O . VAL B 1 150 ? 22.112 37.404 183.719 1.00 24.29 ? ? ? ? ? ? 149 VAL B O 1 +ATOM 3140 C CB . VAL B 1 150 ? 24.670 38.500 185.180 1.00 24.08 ? ? ? ? ? ? 149 VAL B CB 1 +ATOM 3141 C CG1 . VAL B 1 150 ? 24.045 38.655 186.563 1.00 23.13 ? ? ? ? ? ? 149 VAL B CG1 1 +ATOM 3142 C CG2 . VAL B 1 150 ? 26.190 38.702 185.236 1.00 19.77 ? ? ? ? ? ? 149 VAL B CG2 1 +ATOM 3143 N N . SER B 1 151 ? 22.346 36.019 185.457 1.00 26.86 ? ? ? ? ? ? 150 SER B N 1 +ATOM 3144 C CA . SER B 1 151 ? 20.927 35.708 185.460 1.00 29.46 ? ? ? ? ? ? 150 SER B CA 1 +ATOM 3145 C C . SER B 1 151 ? 20.143 36.952 185.857 1.00 29.85 ? ? ? ? ? ? 150 SER B C 1 +ATOM 3146 O O . SER B 1 151 ? 20.568 37.671 186.735 1.00 30.17 ? ? ? ? ? ? 150 SER B O 1 +ATOM 3147 C CB . SER B 1 151 ? 20.615 34.591 186.450 1.00 30.36 ? ? ? ? ? ? 150 SER B CB 1 +ATOM 3148 O OG . SER B 1 151 ? 19.217 34.516 186.663 1.00 36.32 ? ? ? ? ? ? 150 SER B OG 1 +ATOM 3149 N N . PRO B 1 152 ? 19.001 37.210 185.196 1.00 31.64 ? ? ? ? ? ? 151 PRO B N 1 +ATOM 3150 C CA . PRO B 1 152 ? 18.148 38.321 185.583 1.00 32.74 ? ? ? ? ? ? 151 PRO B CA 1 +ATOM 3151 C C . PRO B 1 152 ? 17.401 38.157 186.903 1.00 34.44 ? ? ? ? ? ? 151 PRO B C 1 +ATOM 3152 O O . PRO B 1 152 ? 16.837 39.149 187.367 1.00 34.37 ? ? ? ? ? ? 151 PRO B O 1 +ATOM 3153 C CB . PRO B 1 152 ? 17.135 38.410 184.441 1.00 33.60 ? ? ? ? ? ? 151 PRO B CB 1 +ATOM 3154 C CG . PRO B 1 152 ? 17.119 37.055 183.823 1.00 34.70 ? ? ? ? ? ? 151 PRO B CG 1 +ATOM 3155 C CD . PRO B 1 152 ? 18.473 36.468 184.041 1.00 32.20 ? ? ? ? ? ? 151 PRO B CD 1 +ATOM 3156 N N . LYS B 1 153 ? 17.370 36.946 187.492 1.00 37.56 ? ? ? ? ? ? 152 LYS B N 1 +ATOM 3157 C CA . LYS B 1 153 ? 16.712 36.734 188.800 1.00 39.92 ? ? ? ? ? ? 152 LYS B CA 1 +ATOM 3158 C C . LYS B 1 153 ? 17.213 37.759 189.803 1.00 39.63 ? ? ? ? ? ? 152 LYS B C 1 +ATOM 3159 O O . LYS B 1 153 ? 18.408 37.877 190.028 1.00 39.79 ? ? ? ? ? ? 152 LYS B O 1 +ATOM 3160 C CB . LYS B 1 153 ? 16.951 35.318 189.359 1.00 42.10 ? ? ? ? ? ? 152 LYS B CB 1 +ATOM 3161 N N . GLY B 1 154 ? 16.295 38.534 190.372 1.00 39.29 ? ? ? ? ? ? 153 GLY B N 1 +ATOM 3162 C CA . GLY B 1 154 ? 16.664 39.508 191.401 1.00 38.09 ? ? ? ? ? ? 153 GLY B CA 1 +ATOM 3163 C C . GLY B 1 154 ? 17.037 40.895 190.904 1.00 35.25 ? ? ? ? ? ? 153 GLY B C 1 +ATOM 3164 O O . GLY B 1 154 ? 17.238 41.805 191.721 1.00 35.78 ? ? ? ? ? ? 153 GLY B O 1 +ATOM 3165 N N . TYR B 1 155 ? 17.144 41.055 189.576 1.00 29.29 ? ? ? ? ? ? 154 TYR B N 1 +ATOM 3166 C CA . TYR B 1 155 ? 17.381 42.363 188.944 1.00 26.41 ? ? ? ? ? ? 154 TYR B CA 1 +ATOM 3167 C C . TYR B 1 155 ? 16.104 42.973 188.367 1.00 25.27 ? ? ? ? ? ? 154 TYR B C 1 +ATOM 3168 O O . TYR B 1 155 ? 16.045 44.170 188.133 1.00 26.88 ? ? ? ? ? ? 154 TYR B O 1 +ATOM 3169 C CB . TYR B 1 155 ? 18.406 42.214 187.823 1.00 25.75 ? ? ? ? ? ? 154 TYR B CB 1 +ATOM 3170 C CG . TYR B 1 155 ? 19.821 42.045 188.312 1.00 23.90 ? ? ? ? ? ? 154 TYR B CG 1 +ATOM 3171 C CD1 . TYR B 1 155 ? 20.569 43.136 188.670 1.00 20.97 ? ? ? ? ? ? 154 TYR B CD1 1 +ATOM 3172 C CD2 . TYR B 1 155 ? 20.400 40.778 188.411 1.00 23.18 ? ? ? ? ? ? 154 TYR B CD2 1 +ATOM 3173 C CE1 . TYR B 1 155 ? 21.881 42.991 189.117 1.00 26.40 ? ? ? ? ? ? 154 TYR B CE1 1 +ATOM 3174 C CE2 . TYR B 1 155 ? 21.677 40.615 188.860 1.00 23.75 ? ? ? ? ? ? 154 TYR B CE2 1 +ATOM 3175 C CZ . TYR B 1 155 ? 22.430 41.716 189.203 1.00 25.30 ? ? ? ? ? ? 154 TYR B CZ 1 +ATOM 3176 O OH . TYR B 1 155 ? 23.732 41.555 189.627 1.00 28.17 ? ? ? ? ? ? 154 TYR B OH 1 +ATOM 3177 N N . PHE B 1 156 ? 15.085 42.156 188.136 1.00 25.62 ? ? ? ? ? ? 155 PHE B N 1 +ATOM 3178 C CA . PHE B 1 156 ? 13.869 42.599 187.490 1.00 26.66 ? ? ? ? ? ? 155 PHE B CA 1 +ATOM 3179 C C . PHE B 1 156 ? 12.697 41.961 188.157 1.00 29.33 ? ? ? ? ? ? 155 PHE B C 1 +ATOM 3180 O O . PHE B 1 156 ? 12.839 40.892 188.704 1.00 31.45 ? ? ? ? ? ? 155 PHE B O 1 +ATOM 3181 C CB . PHE B 1 156 ? 13.924 42.235 185.998 1.00 25.38 ? ? ? ? ? ? 155 PHE B CB 1 +ATOM 3182 C CG . PHE B 1 156 ? 15.151 42.796 185.298 1.00 24.21 ? ? ? ? ? ? 155 PHE B CG 1 +ATOM 3183 C CD1 . PHE B 1 156 ? 15.267 44.163 185.067 1.00 18.62 ? ? ? ? ? ? 155 PHE B CD1 1 +ATOM 3184 C CD2 . PHE B 1 156 ? 16.199 41.972 184.931 1.00 23.29 ? ? ? ? ? ? 155 PHE B CD2 1 +ATOM 3185 C CE1 . PHE B 1 156 ? 16.396 44.692 184.475 1.00 22.92 ? ? ? ? ? ? 155 PHE B CE1 1 +ATOM 3186 C CE2 . PHE B 1 156 ? 17.335 42.492 184.333 1.00 24.69 ? ? ? ? ? ? 155 PHE B CE2 1 +ATOM 3187 C CZ . PHE B 1 156 ? 17.440 43.861 184.098 1.00 24.54 ? ? ? ? ? ? 155 PHE B CZ 1 +ATOM 3188 N N . GLU B 1 157 ? 11.529 42.590 188.073 1.00 31.60 ? ? ? ? ? ? 156 GLU B N 1 +ATOM 3189 C CA . GLU B 1 157 ? 10.342 42.128 188.763 1.00 33.85 ? ? ? ? ? ? 156 GLU B CA 1 +ATOM 3190 C C . GLU B 1 157 ? 9.493 41.116 187.998 1.00 34.05 ? ? ? ? ? ? 156 GLU B C 1 +ATOM 3191 O O . GLU B 1 157 ? 8.925 40.214 188.605 1.00 34.93 ? ? ? ? ? ? 156 GLU B O 1 +ATOM 3192 C CB . GLU B 1 157 ? 9.456 43.327 189.148 1.00 32.98 ? ? ? ? ? ? 156 GLU B CB 1 +ATOM 3193 C CG . GLU B 1 157 ? 10.130 44.299 190.113 1.00 37.89 ? ? ? ? ? ? 156 GLU B CG 1 +ATOM 3194 C CD . GLU B 1 157 ? 9.282 45.557 190.398 1.00 39.42 ? ? ? ? ? ? 156 GLU B CD 1 +ATOM 3195 O OE1 . GLU B 1 157 ? 8.141 45.399 190.903 1.00 43.89 ? ? ? ? ? ? 156 GLU B OE1 1 +ATOM 3196 O OE2 . GLU B 1 157 ? 9.778 46.692 190.128 1.00 40.82 ? ? ? ? ? ? 156 GLU B OE2 1 +ATOM 3197 N N . ALA B 1 158 ? 9.360 41.295 186.689 1.00 34.88 ? ? ? ? ? ? 157 ALA B N 1 +ATOM 3198 C CA . ALA B 1 158 ? 8.471 40.464 185.890 1.00 34.80 ? ? ? ? ? ? 157 ALA B CA 1 +ATOM 3199 C C . ALA B 1 158 ? 8.974 39.013 185.882 1.00 35.86 ? ? ? ? ? ? 157 ALA B C 1 +ATOM 3200 O O . ALA B 1 158 ? 10.173 38.753 185.768 1.00 35.44 ? ? ? ? ? ? 157 ALA B O 1 +ATOM 3201 C CB . ALA B 1 158 ? 8.340 40.997 184.441 1.00 33.67 ? ? ? ? ? ? 157 ALA B CB 1 +ATOM 3202 N N . GLU B 1 159 ? 8.043 38.073 185.990 1.00 37.72 ? ? ? ? ? ? 158 GLU B N 1 +ATOM 3203 C CA . GLU B 1 159 ? 8.438 36.675 186.053 1.00 41.09 ? ? ? ? ? ? 158 GLU B CA 1 +ATOM 3204 C C . GLU B 1 159 ? 8.691 36.110 184.662 1.00 38.00 ? ? ? ? ? ? 158 GLU B C 1 +ATOM 3205 O O . GLU B 1 159 ? 9.713 35.468 184.426 1.00 37.96 ? ? ? ? ? ? 158 GLU B O 1 +ATOM 3206 C CB . GLU B 1 159 ? 7.415 35.878 186.848 1.00 42.79 ? ? ? ? ? ? 158 GLU B CB 1 +ATOM 3207 C CG . GLU B 1 159 ? 7.413 36.327 188.314 1.00 51.81 ? ? ? ? ? ? 158 GLU B CG 1 +ATOM 3208 C CD . GLU B 1 159 ? 7.163 35.182 189.264 1.00 61.70 ? ? ? ? ? ? 158 GLU B CD 1 +ATOM 3209 O OE1 . GLU B 1 159 ? 8.153 34.681 189.851 1.00 58.49 ? ? ? ? ? ? 158 GLU B OE1 1 +ATOM 3210 O OE2 . GLU B 1 159 ? 5.979 34.784 189.398 1.00 60.86 ? ? ? ? ? ? 158 GLU B OE2 1 +ATOM 3211 N N . ILE B 1 160 ? 7.764 36.394 183.753 1.00 35.59 ? ? ? ? ? ? 159 ILE B N 1 +ATOM 3212 C CA . ILE B 1 160 ? 7.922 36.117 182.324 1.00 34.12 ? ? ? ? ? ? 159 ILE B CA 1 +ATOM 3213 C C . ILE B 1 160 ? 8.637 37.320 181.684 1.00 32.64 ? ? ? ? ? ? 159 ILE B C 1 +ATOM 3214 O O . ILE B 1 160 ? 8.183 38.457 181.769 1.00 30.74 ? ? ? ? ? ? 159 ILE B O 1 +ATOM 3215 C CB . ILE B 1 160 ? 6.543 35.840 181.663 1.00 34.61 ? ? ? ? ? ? 159 ILE B CB 1 +ATOM 3216 C CG1 . ILE B 1 160 ? 5.833 34.681 182.383 1.00 34.97 ? ? ? ? ? ? 159 ILE B CG1 1 +ATOM 3217 C CG2 . ILE B 1 160 ? 6.676 35.511 180.179 1.00 31.42 ? ? ? ? ? ? 159 ILE B CG2 1 +ATOM 3218 C CD1 . ILE B 1 160 ? 4.378 34.527 181.973 1.00 35.10 ? ? ? ? ? ? 159 ILE B CD1 1 +ATOM 3219 N N . ASP B 1 161 ? 9.773 37.042 181.062 1.00 31.49 ? ? ? ? ? ? 160 ASP B N 1 +ATOM 3220 C CA . ASP B 1 161 ? 10.654 38.061 180.514 1.00 32.34 ? ? ? ? ? ? 160 ASP B CA 1 +ATOM 3221 C C . ASP B 1 161 ? 11.511 37.412 179.410 1.00 31.81 ? ? ? ? ? ? 160 ASP B C 1 +ATOM 3222 O O . ASP B 1 161 ? 12.690 37.151 179.612 1.00 32.86 ? ? ? ? ? ? 160 ASP B O 1 +ATOM 3223 C CB . ASP B 1 161 ? 11.518 38.617 181.657 1.00 31.36 ? ? ? ? ? ? 160 ASP B CB 1 +ATOM 3224 C CG . ASP B 1 161 ? 12.433 39.766 181.223 1.00 36.07 ? ? ? ? ? ? 160 ASP B CG 1 +ATOM 3225 O OD1 . ASP B 1 161 ? 12.383 40.163 180.034 1.00 39.98 ? ? ? ? ? ? 160 ASP B OD1 1 +ATOM 3226 O OD2 . ASP B 1 161 ? 13.223 40.252 182.067 1.00 38.82 ? ? ? ? ? ? 160 ASP B OD2 1 +ATOM 3227 N N . ASP B 1 162 ? 10.897 37.095 178.273 1.00 31.64 ? ? ? ? ? ? 161 ASP B N 1 +ATOM 3228 C CA . ASP B 1 162 ? 11.557 36.281 177.226 1.00 30.73 ? ? ? ? ? ? 161 ASP B CA 1 +ATOM 3229 C C . ASP B 1 162 ? 12.000 37.080 176.013 1.00 29.35 ? ? ? ? ? ? 161 ASP B C 1 +ATOM 3230 O O . ASP B 1 162 ? 13.000 36.778 175.410 1.00 30.09 ? ? ? ? ? ? 161 ASP B O 1 +ATOM 3231 C CB . ASP B 1 162 ? 10.639 35.131 176.759 1.00 31.79 ? ? ? ? ? ? 161 ASP B CB 1 +ATOM 3232 C CG . ASP B 1 162 ? 10.644 33.948 177.728 1.00 37.13 ? ? ? ? ? ? 161 ASP B CG 1 +ATOM 3233 O OD1 . ASP B 1 162 ? 11.606 33.841 178.526 1.00 46.21 ? ? ? ? ? ? 161 ASP B OD1 1 +ATOM 3234 O OD2 . ASP B 1 162 ? 9.688 33.136 177.703 1.00 44.02 ? ? ? ? ? ? 161 ASP B OD2 1 +ATOM 3235 N N . HIS B 1 163 ? 11.240 38.098 175.653 1.00 26.53 ? ? ? ? ? ? 162 HIS B N 1 +ATOM 3236 C CA . HIS B 1 163 ? 11.542 38.893 174.469 1.00 23.70 ? ? ? ? ? ? 162 HIS B CA 1 +ATOM 3237 C C . HIS B 1 163 ? 10.866 40.246 174.650 1.00 22.07 ? ? ? ? ? ? 162 HIS B C 1 +ATOM 3238 O O . HIS B 1 163 ? 9.661 40.286 174.870 1.00 20.54 ? ? ? ? ? ? 162 HIS B O 1 +ATOM 3239 C CB . HIS B 1 163 ? 10.993 38.144 173.223 1.00 23.21 ? ? ? ? ? ? 162 HIS B CB 1 +ATOM 3240 C CG . HIS B 1 163 ? 11.007 38.950 171.961 1.00 22.09 ? ? ? ? ? ? 162 HIS B CG 1 +ATOM 3241 N ND1 . HIS B 1 163 ? 12.168 39.370 171.350 1.00 23.38 ? ? ? ? ? ? 162 HIS B ND1 1 +ATOM 3242 C CD2 . HIS B 1 163 ? 9.992 39.419 171.202 1.00 24.24 ? ? ? ? ? ? 162 HIS B CD2 1 +ATOM 3243 C CE1 . HIS B 1 163 ? 11.861 40.071 170.274 1.00 26.20 ? ? ? ? ? ? 162 HIS B CE1 1 +ATOM 3244 N NE2 . HIS B 1 163 ? 10.547 40.126 170.168 1.00 19.79 ? ? ? ? ? ? 162 HIS B NE2 1 +ATOM 3245 N N . ALA B 1 164 ? 11.636 41.323 174.509 1.00 20.91 ? ? ? ? ? ? 163 ALA B N 1 +ATOM 3246 C CA . ALA B 1 164 ? 11.142 42.713 174.597 1.00 21.91 ? ? ? ? ? ? 163 ALA B CA 1 +ATOM 3247 C C . ALA B 1 164 ? 10.479 42.949 175.922 1.00 23.29 ? ? ? ? ? ? 163 ALA B C 1 +ATOM 3248 O O . ALA B 1 164 ? 9.552 43.744 175.997 1.00 23.62 ? ? ? ? ? ? 163 ALA B O 1 +ATOM 3249 C CB . ALA B 1 164 ? 10.165 43.067 173.467 1.00 19.47 ? ? ? ? ? ? 163 ALA B CB 1 +ATOM 3250 N N . GLY B 1 165 ? 10.976 42.251 176.941 1.00 23.70 ? ? ? ? ? ? 164 GLY B N 1 +ATOM 3251 C CA . GLY B 1 165 ? 10.430 42.290 178.294 1.00 24.22 ? ? ? ? ? ? 164 GLY B CA 1 +ATOM 3252 C C . GLY B 1 165 ? 11.126 43.320 179.162 1.00 23.37 ? ? ? ? ? ? 164 GLY B C 1 +ATOM 3253 O O . GLY B 1 165 ? 11.734 44.294 178.664 1.00 23.40 ? ? ? ? ? ? 164 GLY B O 1 +ATOM 3254 N N . GLU B 1 166 ? 11.032 43.111 180.470 1.00 22.93 ? ? ? ? ? ? 165 GLU B N 1 +ATOM 3255 C CA . GLU B 1 166 ? 11.575 44.096 181.433 1.00 22.79 ? ? ? ? ? ? 165 GLU B CA 1 +ATOM 3256 C C . GLU B 1 166 ? 13.077 44.245 181.346 1.00 22.15 ? ? ? ? ? ? 165 GLU B C 1 +ATOM 3257 O O . GLU B 1 166 ? 13.592 45.364 181.425 1.00 23.07 ? ? ? ? ? ? 165 GLU B O 1 +ATOM 3258 C CB . GLU B 1 166 ? 11.148 43.783 182.871 1.00 22.14 ? ? ? ? ? ? 165 GLU B CB 1 +ATOM 3259 C CG . GLU B 1 166 ? 11.403 44.935 183.889 1.00 24.29 ? ? ? ? ? ? 165 GLU B CG 1 +ATOM 3260 C CD . GLU B 1 166 ? 11.059 44.530 185.322 1.00 21.46 ? ? ? ? ? ? 165 GLU B CD 1 +ATOM 3261 O OE1 . GLU B 1 166 ? 10.057 43.862 185.509 1.00 21.18 ? ? ? ? ? ? 165 GLU B OE1 1 +ATOM 3262 O OE2 . GLU B 1 166 ? 11.823 44.849 186.247 1.00 27.20 ? ? ? ? ? ? 165 GLU B OE2 1 +ATOM 3263 N N . SER B 1 167 ? 13.801 43.154 181.195 1.00 22.52 ? ? ? ? ? ? 166 SER B N 1 +ATOM 3264 C CA . SER B 1 167 ? 15.265 43.272 181.136 1.00 23.03 ? ? ? ? ? ? 166 SER B CA 1 +ATOM 3265 C C . SER B 1 167 ? 15.735 43.974 179.875 1.00 22.73 ? ? ? ? ? ? 166 SER B C 1 +ATOM 3266 O O . SER B 1 167 ? 16.505 44.927 179.975 1.00 25.00 ? ? ? ? ? ? 166 SER B O 1 +ATOM 3267 C CB . SER B 1 167 ? 16.003 41.914 181.328 1.00 25.11 ? ? ? ? ? ? 166 SER B CB 1 +ATOM 3268 O OG . SER B 1 167 ? 15.524 40.925 180.451 1.00 27.69 ? ? ? ? ? ? 166 SER B OG 1 +ATOM 3269 N N . GLU B 1 168 ? 15.302 43.530 178.697 1.00 23.31 ? ? ? ? ? ? 167 GLU B N 1 +ATOM 3270 C CA . GLU B 1 168 ? 15.811 44.137 177.463 1.00 23.01 ? ? ? ? ? ? 167 GLU B CA 1 +ATOM 3271 C C . GLU B 1 168 ? 15.432 45.608 177.397 1.00 21.06 ? ? ? ? ? ? 167 GLU B C 1 +ATOM 3272 O O . GLU B 1 168 ? 16.247 46.438 176.974 1.00 20.89 ? ? ? ? ? ? 167 GLU B O 1 +ATOM 3273 C CB . GLU B 1 168 ? 15.273 43.462 176.212 1.00 23.25 ? ? ? ? ? ? 167 GLU B CB 1 +ATOM 3274 C CG . GLU B 1 168 ? 16.122 42.369 175.678 1.00 25.34 ? ? ? ? ? ? 167 GLU B CG 1 +ATOM 3275 C CD . GLU B 1 168 ? 15.719 41.948 174.275 1.00 25.62 ? ? ? ? ? ? 167 GLU B CD 1 +ATOM 3276 O OE1 . GLU B 1 168 ? 14.491 41.832 174.004 1.00 22.65 ? ? ? ? ? ? 167 GLU B OE1 1 +ATOM 3277 O OE2 . GLU B 1 168 ? 16.655 41.699 173.463 1.00 23.72 ? ? ? ? ? ? 167 GLU B OE2 1 +ATOM 3278 N N . THR B 1 169 ? 14.200 45.907 177.794 1.00 20.20 ? ? ? ? ? ? 168 THR B N 1 +ATOM 3279 C CA . THR B 1 169 ? 13.723 47.293 177.826 1.00 20.64 ? ? ? ? ? ? 168 THR B CA 1 +ATOM 3280 C C . THR B 1 169 ? 14.547 48.147 178.794 1.00 20.32 ? ? ? ? ? ? 168 THR B C 1 +ATOM 3281 O O . THR B 1 169 ? 15.018 49.208 178.420 1.00 22.02 ? ? ? ? ? ? 168 THR B O 1 +ATOM 3282 C CB . THR B 1 169 ? 12.255 47.381 178.211 1.00 19.70 ? ? ? ? ? ? 168 THR B CB 1 +ATOM 3283 O OG1 . THR B 1 169 ? 11.493 46.520 177.374 1.00 17.89 ? ? ? ? ? ? 168 THR B OG1 1 +ATOM 3284 C CG2 . THR B 1 169 ? 11.763 48.832 178.097 1.00 17.04 ? ? ? ? ? ? 168 THR B CG2 1 +ATOM 3285 N N . SER B 1 170 ? 14.745 47.672 180.015 1.00 20.61 ? ? ? ? ? ? 169 SER B N 1 +ATOM 3286 C CA . SER B 1 170 ? 15.561 48.406 181.003 1.00 20.33 ? ? ? ? ? ? 169 SER B CA 1 +ATOM 3287 C C . SER B 1 170 ? 16.981 48.634 180.479 1.00 21.05 ? ? ? ? ? ? 169 SER B C 1 +ATOM 3288 O O . SER B 1 170 ? 17.560 49.714 180.673 1.00 21.07 ? ? ? ? ? ? 169 SER B O 1 +ATOM 3289 C CB . SER B 1 170 ? 15.623 47.680 182.347 1.00 21.02 ? ? ? ? ? ? 169 SER B CB 1 +ATOM 3290 O OG . SER B 1 170 ? 14.339 47.441 182.928 1.00 20.30 ? ? ? ? ? ? 169 SER B OG 1 +ATOM 3291 N N . VAL B 1 171 ? 17.559 47.633 179.818 1.00 21.15 ? ? ? ? ? ? 170 VAL B N 1 +ATOM 3292 C CA . VAL B 1 171 ? 18.931 47.802 179.282 1.00 19.93 ? ? ? ? ? ? 170 VAL B CA 1 +ATOM 3293 C C . VAL B 1 171 ? 18.949 48.833 178.122 1.00 20.08 ? ? ? ? ? ? 170 VAL B C 1 +ATOM 3294 O O . VAL B 1 171 ? 19.837 49.673 178.066 1.00 22.86 ? ? ? ? ? ? 170 VAL B O 1 +ATOM 3295 C CB . VAL B 1 171 ? 19.621 46.442 178.935 1.00 18.10 ? ? ? ? ? ? 170 VAL B CB 1 +ATOM 3296 C CG1 . VAL B 1 171 ? 21.040 46.654 178.343 1.00 17.34 ? ? ? ? ? ? 170 VAL B CG1 1 +ATOM 3297 C CG2 . VAL B 1 171 ? 19.714 45.599 180.167 1.00 19.43 ? ? ? ? ? ? 170 VAL B CG2 1 +ATOM 3298 N N . MSE B 1 172 ? 17.960 48.820 177.247 1.00 19.71 ? ? ? ? ? ? 171 MSE B N 1 +ATOM 3299 C CA . MSE B 1 172 ? 17.852 49.879 176.229 1.00 20.68 ? ? ? ? ? ? 171 MSE B CA 1 +ATOM 3300 C C . MSE B 1 172 ? 17.599 51.268 176.837 1.00 21.11 ? ? ? ? ? ? 171 MSE B C 1 +ATOM 3301 O O . MSE B 1 172 ? 18.146 52.273 176.377 1.00 21.39 ? ? ? ? ? ? 171 MSE B O 1 +ATOM 3302 C CB . MSE B 1 172 ? 16.703 49.569 175.251 1.00 21.57 ? ? ? ? ? ? 171 MSE B CB 1 +ATOM 3303 C CG . MSE B 1 172 ? 16.599 50.508 174.043 1.00 23.30 ? ? ? ? ? ? 171 MSE B CG 1 +ATOM 3304 SE SE . MSE B 1 172 ? 18.166 50.378 172.858 0.75 20.05 ? ? ? ? ? ? 171 MSE B SE 1 +ATOM 3305 C CE . MSE B 1 172 ? 18.100 48.530 172.397 1.00 17.73 ? ? ? ? ? ? 171 MSE B CE 1 +ATOM 3306 N N . MSE B 1 173 ? 16.719 51.342 177.833 1.00 21.69 ? ? ? ? ? ? 172 MSE B N 1 +ATOM 3307 C CA . MSE B 1 173 ? 16.491 52.612 178.535 1.00 21.55 ? ? ? ? ? ? 172 MSE B CA 1 +ATOM 3308 C C . MSE B 1 173 ? 17.800 53.218 179.087 1.00 22.21 ? ? ? ? ? ? 172 MSE B C 1 +ATOM 3309 O O . MSE B 1 173 ? 17.986 54.434 179.102 1.00 23.48 ? ? ? ? ? ? 172 MSE B O 1 +ATOM 3310 C CB . MSE B 1 173 ? 15.474 52.390 179.656 1.00 21.62 ? ? ? ? ? ? 172 MSE B CB 1 +ATOM 3311 C CG . MSE B 1 173 ? 14.104 52.152 179.097 1.00 21.05 ? ? ? ? ? ? 172 MSE B CG 1 +ATOM 3312 SE SE . MSE B 1 173 ? 12.809 51.786 180.427 0.75 18.58 ? ? ? ? ? ? 172 MSE B SE 1 +ATOM 3313 C CE . MSE B 1 173 ? 12.617 53.689 181.067 1.00 22.44 ? ? ? ? ? ? 172 MSE B CE 1 +ATOM 3314 N N . HIS B 1 174 ? 18.708 52.351 179.536 1.00 22.21 ? ? ? ? ? ? 173 HIS B N 1 +ATOM 3315 C CA . HIS B 1 174 ? 20.015 52.751 180.025 1.00 21.65 ? ? ? ? ? ? 173 HIS B CA 1 +ATOM 3316 C C . HIS B 1 174 ? 20.926 53.187 178.885 1.00 23.29 ? ? ? ? ? ? 173 HIS B C 1 +ATOM 3317 O O . HIS B 1 174 ? 21.521 54.266 178.949 1.00 22.88 ? ? ? ? ? ? 173 HIS B O 1 +ATOM 3318 C CB . HIS B 1 174 ? 20.648 51.602 180.860 1.00 22.11 ? ? ? ? ? ? 173 HIS B CB 1 +ATOM 3319 C CG . HIS B 1 174 ? 22.115 51.795 181.138 1.00 25.58 ? ? ? ? ? ? 173 HIS B CG 1 +ATOM 3320 N ND1 . HIS B 1 174 ? 22.615 52.899 181.806 1.00 22.99 ? ? ? ? ? ? 173 HIS B ND1 1 +ATOM 3321 C CD2 . HIS B 1 174 ? 23.190 51.031 180.812 1.00 21.84 ? ? ? ? ? ? 173 HIS B CD2 1 +ATOM 3322 C CE1 . HIS B 1 174 ? 23.934 52.814 181.858 1.00 26.39 ? ? ? ? ? ? 173 HIS B CE1 1 +ATOM 3323 N NE2 . HIS B 1 174 ? 24.306 51.687 181.270 1.00 23.44 ? ? ? ? ? ? 173 HIS B NE2 1 +ATOM 3324 N N . TYR B 1 175 ? 21.053 52.378 177.823 1.00 22.71 ? ? ? ? ? ? 174 TYR B N 1 +ATOM 3325 C CA . TYR B 1 175 ? 22.035 52.724 176.783 1.00 21.70 ? ? ? ? ? ? 174 TYR B CA 1 +ATOM 3326 C C . TYR B 1 175 ? 21.505 53.731 175.777 1.00 20.89 ? ? ? ? ? ? 174 TYR B C 1 +ATOM 3327 O O . TYR B 1 175 ? 22.266 54.562 175.272 1.00 19.55 ? ? ? ? ? ? 174 TYR B O 1 +ATOM 3328 C CB . TYR B 1 175 ? 22.515 51.486 176.031 1.00 21.22 ? ? ? ? ? ? 174 TYR B CB 1 +ATOM 3329 C CG . TYR B 1 175 ? 23.582 50.674 176.738 1.00 20.83 ? ? ? ? ? ? 174 TYR B CG 1 +ATOM 3330 C CD1 . TYR B 1 175 ? 24.812 51.232 177.045 1.00 21.63 ? ? ? ? ? ? 174 TYR B CD1 1 +ATOM 3331 C CD2 . TYR B 1 175 ? 23.375 49.338 177.048 1.00 19.44 ? ? ? ? ? ? 174 TYR B CD2 1 +ATOM 3332 C CE1 . TYR B 1 175 ? 25.805 50.496 177.684 1.00 21.18 ? ? ? ? ? ? 174 TYR B CE1 1 +ATOM 3333 C CE2 . TYR B 1 175 ? 24.354 48.579 177.679 1.00 20.96 ? ? ? ? ? ? 174 TYR B CE2 1 +ATOM 3334 C CZ . TYR B 1 175 ? 25.592 49.153 177.983 1.00 24.77 ? ? ? ? ? ? 174 TYR B CZ 1 +ATOM 3335 O OH . TYR B 1 175 ? 26.607 48.393 178.589 1.00 18.21 ? ? ? ? ? ? 174 TYR B OH 1 +ATOM 3336 N N . HIS B 1 176 ? 20.234 53.607 175.426 1.00 21.82 ? ? ? ? ? ? 175 HIS B N 1 +ATOM 3337 C CA . HIS B 1 176 ? 19.623 54.453 174.375 1.00 22.58 ? ? ? ? ? ? 175 HIS B CA 1 +ATOM 3338 C C . HIS B 1 176 ? 18.209 54.855 174.756 1.00 23.27 ? ? ? ? ? ? 175 HIS B C 1 +ATOM 3339 O O . HIS B 1 176 ? 17.210 54.370 174.189 1.00 23.76 ? ? ? ? ? ? 175 HIS B O 1 +ATOM 3340 C CB . HIS B 1 176 ? 19.641 53.722 173.026 1.00 23.46 ? ? ? ? ? ? 175 HIS B CB 1 +ATOM 3341 C CG . HIS B 1 176 ? 21.015 53.520 172.481 1.00 20.71 ? ? ? ? ? ? 175 HIS B CG 1 +ATOM 3342 N ND1 . HIS B 1 176 ? 21.727 54.535 171.882 1.00 24.54 ? ? ? ? ? ? 175 HIS B ND1 1 +ATOM 3343 C CD2 . HIS B 1 176 ? 21.838 52.447 172.509 1.00 22.90 ? ? ? ? ? ? 175 HIS B CD2 1 +ATOM 3344 C CE1 . HIS B 1 176 ? 22.915 54.083 171.525 1.00 27.33 ? ? ? ? ? ? 175 HIS B CE1 1 +ATOM 3345 N NE2 . HIS B 1 176 ? 23.014 52.822 171.910 1.00 25.49 ? ? ? ? ? ? 175 HIS B NE2 1 +ATOM 3346 N N . PRO B 1 177 ? 18.103 55.750 175.744 1.00 25.24 ? ? ? ? ? ? 176 PRO B N 1 +ATOM 3347 C CA . PRO B 1 177 ? 16.759 56.140 176.184 1.00 26.30 ? ? ? ? ? ? 176 PRO B CA 1 +ATOM 3348 C C . PRO B 1 177 ? 15.962 56.859 175.106 1.00 25.74 ? ? ? ? ? ? 176 PRO B C 1 +ATOM 3349 O O . PRO B 1 177 ? 14.747 56.840 175.161 1.00 27.44 ? ? ? ? ? ? 176 PRO B O 1 +ATOM 3350 C CB . PRO B 1 177 ? 17.027 57.033 177.411 1.00 25.39 ? ? ? ? ? ? 176 PRO B CB 1 +ATOM 3351 C CG . PRO B 1 177 ? 18.445 57.454 177.283 1.00 25.16 ? ? ? ? ? ? 176 PRO B CG 1 +ATOM 3352 C CD . PRO B 1 177 ? 19.168 56.410 176.512 1.00 25.11 ? ? ? ? ? ? 176 PRO B CD 1 +ATOM 3353 N N . GLU B 1 178 ? 16.653 57.478 174.147 1.00 27.55 ? ? ? ? ? ? 177 GLU B N 1 +ATOM 3354 C CA . GLU B 1 178 ? 16.056 58.137 172.977 1.00 27.39 ? ? ? ? ? ? 177 GLU B CA 1 +ATOM 3355 C C . GLU B 1 178 ? 15.405 57.172 171.972 1.00 27.42 ? ? ? ? ? ? 177 GLU B C 1 +ATOM 3356 O O . GLU B 1 178 ? 14.567 57.597 171.198 1.00 26.88 ? ? ? ? ? ? 177 GLU B O 1 +ATOM 3357 C CB . GLU B 1 178 ? 17.111 59.003 172.278 1.00 27.91 ? ? ? ? ? ? 177 GLU B CB 1 +ATOM 3358 C CG . GLU B 1 178 ? 18.206 58.271 171.398 1.00 32.14 ? ? ? ? ? ? 177 GLU B CG 1 +ATOM 3359 C CD . GLU B 1 178 ? 19.339 57.612 172.172 1.00 31.25 ? ? ? ? ? ? 177 GLU B CD 1 +ATOM 3360 O OE1 . GLU B 1 178 ? 19.376 57.717 173.412 1.00 32.31 ? ? ? ? ? ? 177 GLU B OE1 1 +ATOM 3361 O OE2 . GLU B 1 178 ? 20.202 56.971 171.529 1.00 34.91 ? ? ? ? ? ? 177 GLU B OE2 1 +ATOM 3362 N N . LEU B 1 179 ? 15.761 55.887 172.006 1.00 26.42 ? ? ? ? ? ? 178 LEU B N 1 +ATOM 3363 C CA . LEU B 1 179 ? 15.228 54.901 171.052 1.00 25.74 ? ? ? ? ? ? 178 LEU B CA 1 +ATOM 3364 C C . LEU B 1 179 ? 14.049 54.072 171.581 1.00 26.54 ? ? ? ? ? ? 178 LEU B C 1 +ATOM 3365 O O . LEU B 1 179 ? 13.600 53.142 170.907 1.00 28.06 ? ? ? ? ? ? 178 LEU B O 1 +ATOM 3366 C CB . LEU B 1 179 ? 16.349 53.921 170.626 1.00 24.65 ? ? ? ? ? ? 178 LEU B CB 1 +ATOM 3367 C CG . LEU B 1 179 ? 17.544 54.417 169.819 1.00 22.03 ? ? ? ? ? ? 178 LEU B CG 1 +ATOM 3368 C CD1 . LEU B 1 179 ? 18.509 53.242 169.612 1.00 20.11 ? ? ? ? ? ? 178 LEU B CD1 1 +ATOM 3369 C CD2 . LEU B 1 179 ? 17.122 55.012 168.473 1.00 26.40 ? ? ? ? ? ? 178 LEU B CD2 1 +ATOM 3370 N N . VAL B 1 180 ? 13.599 54.356 172.803 1.00 26.81 ? ? ? ? ? ? 179 VAL B N 1 +ATOM 3371 C CA . VAL B 1 180 ? 12.530 53.573 173.419 1.00 26.89 ? ? ? ? ? ? 179 VAL B CA 1 +ATOM 3372 C C . VAL B 1 180 ? 11.625 54.462 174.281 1.00 28.02 ? ? ? ? ? ? 179 VAL B C 1 +ATOM 3373 O O . VAL B 1 180 ? 12.101 55.217 175.129 1.00 28.09 ? ? ? ? ? ? 179 VAL B O 1 +ATOM 3374 C CB . VAL B 1 180 ? 13.065 52.355 174.255 1.00 25.43 ? ? ? ? ? ? 179 VAL B CB 1 +ATOM 3375 C CG1 . VAL B 1 180 ? 13.969 52.797 175.421 1.00 25.71 ? ? ? ? ? ? 179 VAL B CG1 1 +ATOM 3376 C CG2 . VAL B 1 180 ? 11.921 51.532 174.787 1.00 25.92 ? ? ? ? ? ? 179 VAL B CG2 1 +ATOM 3377 N N . ASN B 1 181 ? 10.323 54.380 174.024 1.00 29.20 ? ? ? ? ? ? 180 ASN B N 1 +ATOM 3378 C CA . ASN B 1 181 ? 9.343 55.025 174.878 1.00 30.67 ? ? ? ? ? ? 180 ASN B CA 1 +ATOM 3379 C C . ASN B 1 181 ? 8.478 53.930 175.443 1.00 27.51 ? ? ? ? ? ? 180 ASN B C 1 +ATOM 3380 O O . ASN B 1 181 ? 7.685 53.348 174.731 1.00 26.80 ? ? ? ? ? ? 180 ASN B O 1 +ATOM 3381 C CB . ASN B 1 181 ? 8.505 56.057 174.115 1.00 33.08 ? ? ? ? ? ? 180 ASN B CB 1 +ATOM 3382 C CG . ASN B 1 181 ? 7.367 56.651 174.969 1.00 33.25 ? ? ? ? ? ? 180 ASN B CG 1 +ATOM 3383 O OD1 . ASN B 1 181 ? 7.350 56.538 176.201 1.00 30.32 ? ? ? ? ? ? 180 ASN B OD1 1 +ATOM 3384 N ND2 . ASN B 1 181 ? 6.410 57.274 174.298 1.00 37.22 ? ? ? ? ? ? 180 ASN B ND2 1 +ATOM 3385 N N . LEU B 1 182 ? 8.650 53.666 176.738 1.00 26.96 ? ? ? ? ? ? 181 LEU B N 1 +ATOM 3386 C CA . LEU B 1 182 ? 8.010 52.534 177.398 1.00 26.73 ? ? ? ? ? ? 181 LEU B CA 1 +ATOM 3387 C C . LEU B 1 182 ? 6.493 52.670 177.457 1.00 27.17 ? ? ? ? ? ? 181 LEU B C 1 +ATOM 3388 O O . LEU B 1 182 ? 5.791 51.655 177.418 1.00 26.85 ? ? ? ? ? ? 181 LEU B O 1 +ATOM 3389 C CB . LEU B 1 182 ? 8.605 52.330 178.786 1.00 27.15 ? ? ? ? ? ? 181 LEU B CB 1 +ATOM 3390 C CG . LEU B 1 182 ? 8.032 51.261 179.714 1.00 27.10 ? ? ? ? ? ? 181 LEU B CG 1 +ATOM 3391 C CD1 . LEU B 1 182 ? 8.025 49.847 179.055 1.00 24.41 ? ? ? ? ? ? 181 LEU B CD1 1 +ATOM 3392 C CD2 . LEU B 1 182 ? 8.818 51.310 181.010 1.00 21.23 ? ? ? ? ? ? 181 LEU B CD2 1 +ATOM 3393 N N . ALA B 1 183 ? 5.983 53.900 177.481 1.00 27.84 ? ? ? ? ? ? 182 ALA B N 1 +ATOM 3394 C CA . ALA B 1 183 ? 4.551 54.129 177.498 1.00 28.82 ? ? ? ? ? ? 182 ALA B CA 1 +ATOM 3395 C C . ALA B 1 183 ? 3.878 53.566 176.236 1.00 29.89 ? ? ? ? ? ? 182 ALA B C 1 +ATOM 3396 O O . ALA B 1 183 ? 2.685 53.385 176.225 1.00 30.23 ? ? ? ? ? ? 182 ALA B O 1 +ATOM 3397 C CB . ALA B 1 183 ? 4.247 55.645 177.669 1.00 28.48 ? ? ? ? ? ? 182 ALA B CB 1 +ATOM 3398 N N . GLU B 1 184 ? 4.653 53.290 175.181 1.00 30.60 ? ? ? ? ? ? 183 GLU B N 1 +ATOM 3399 C CA . GLU B 1 184 ? 4.110 52.712 173.930 1.00 31.80 ? ? ? ? ? ? 183 GLU B CA 1 +ATOM 3400 C C . GLU B 1 184 ? 3.962 51.166 173.924 1.00 27.93 ? ? ? ? ? ? 183 GLU B C 1 +ATOM 3401 O O . GLU B 1 184 ? 3.380 50.606 173.014 1.00 27.69 ? ? ? ? ? ? 183 GLU B O 1 +ATOM 3402 C CB . GLU B 1 184 ? 4.957 53.200 172.726 1.00 31.98 ? ? ? ? ? ? 183 GLU B CB 1 +ATOM 3403 C CG . GLU B 1 184 ? 4.900 54.730 172.500 1.00 35.26 ? ? ? ? ? ? 183 GLU B CG 1 +ATOM 3404 C CD . GLU B 1 184 ? 5.984 55.255 171.510 1.00 39.52 ? ? ? ? ? ? 183 GLU B CD 1 +ATOM 3405 O OE1 . GLU B 1 184 ? 6.700 54.407 170.892 1.00 45.72 ? ? ? ? ? ? 183 GLU B OE1 1 +ATOM 3406 O OE2 . GLU B 1 184 ? 6.111 56.505 171.348 1.00 40.60 ? ? ? ? ? ? 183 GLU B OE2 1 +ATOM 3407 N N . ALA B 1 185 ? 4.440 50.504 174.972 1.00 26.84 ? ? ? ? ? ? 184 ALA B N 1 +ATOM 3408 C CA . ALA B 1 185 ? 4.520 49.045 175.043 1.00 25.25 ? ? ? ? ? ? 184 ALA B CA 1 +ATOM 3409 C C . ALA B 1 185 ? 3.163 48.424 175.277 1.00 26.50 ? ? ? ? ? ? 184 ALA B C 1 +ATOM 3410 O O . ALA B 1 185 ? 2.330 48.960 176.012 1.00 27.37 ? ? ? ? ? ? 184 ALA B O 1 +ATOM 3411 C CB . ALA B 1 185 ? 5.492 48.613 176.184 1.00 21.77 ? ? ? ? ? ? 184 ALA B CB 1 +ATOM 3412 N N . GLY B 1 186 ? 2.946 47.262 174.684 1.00 25.88 ? ? ? ? ? ? 185 GLY B N 1 +ATOM 3413 C CA . GLY B 1 186 ? 1.832 46.418 175.056 1.00 24.84 ? ? ? ? ? ? 185 GLY B CA 1 +ATOM 3414 C C . GLY B 1 186 ? 2.219 45.594 176.259 1.00 25.15 ? ? ? ? ? ? 185 GLY B C 1 +ATOM 3415 O O . GLY B 1 186 ? 3.338 45.722 176.755 1.00 24.48 ? ? ? ? ? ? 185 GLY B O 1 +ATOM 3416 N N . ASP B 1 187 ? 1.292 44.749 176.728 1.00 26.30 ? ? ? ? ? ? 186 ASP B N 1 +ATOM 3417 C CA A ASP B 1 187 ? 1.532 43.925 177.927 0.50 26.81 ? ? ? ? ? ? 186 ASP B CA 1 +ATOM 3418 C CA B ASP B 1 187 ? 1.521 43.912 177.923 0.50 27.57 ? ? ? ? ? ? 186 ASP B CA 1 +ATOM 3419 C C . ASP B 1 187 ? 2.417 42.691 177.668 1.00 27.27 ? ? ? ? ? ? 186 ASP B C 1 +ATOM 3420 O O . ASP B 1 187 ? 2.819 42.018 178.611 1.00 26.68 ? ? ? ? ? ? 186 ASP B O 1 +ATOM 3421 C CB A ASP B 1 187 ? 0.195 43.489 178.563 0.50 26.46 ? ? ? ? ? ? 186 ASP B CB 1 +ATOM 3422 C CB B ASP B 1 187 ? 0.192 43.475 178.604 0.50 27.78 ? ? ? ? ? ? 186 ASP B CB 1 +ATOM 3423 C CG A ASP B 1 187 ? -0.619 44.671 179.089 0.50 27.98 ? ? ? ? ? ? 186 ASP B CG 1 +ATOM 3424 C CG B ASP B 1 187 ? -0.819 42.819 177.645 0.50 33.14 ? ? ? ? ? ? 186 ASP B CG 1 +ATOM 3425 O OD1 A ASP B 1 187 ? -0.096 45.810 179.078 0.50 26.79 ? ? ? ? ? ? 186 ASP B OD1 1 +ATOM 3426 O OD1 B ASP B 1 187 ? -0.446 42.302 176.563 0.50 41.61 ? ? ? ? ? ? 186 ASP B OD1 1 +ATOM 3427 O OD2 A ASP B 1 187 ? -1.783 44.460 179.512 0.50 32.58 ? ? ? ? ? ? 186 ASP B OD2 1 +ATOM 3428 O OD2 B ASP B 1 187 ? -2.023 42.807 178.006 0.50 37.81 ? ? ? ? ? ? 186 ASP B OD2 1 +ATOM 3429 N N . GLY B 1 188 ? 2.712 42.399 176.391 1.00 27.03 ? ? ? ? ? ? 187 GLY B N 1 +ATOM 3430 C CA . GLY B 1 188 ? 3.544 41.251 176.038 1.00 26.83 ? ? ? ? ? ? 187 GLY B CA 1 +ATOM 3431 C C . GLY B 1 188 ? 2.973 39.936 176.541 1.00 26.78 ? ? ? ? ? ? 187 GLY B C 1 +ATOM 3432 O O . GLY B 1 188 ? 3.718 39.043 176.977 1.00 25.87 ? ? ? ? ? ? 187 GLY B O 1 +ATOM 3433 N N . GLU B 1 189 ? 1.649 39.823 176.462 1.00 27.88 ? ? ? ? ? ? 188 GLU B N 1 +ATOM 3434 C CA . GLU B 1 189 ? 0.929 38.593 176.814 1.00 30.82 ? ? ? ? ? ? 188 GLU B CA 1 +ATOM 3435 C C . GLU B 1 189 ? 1.313 37.443 175.868 1.00 30.76 ? ? ? ? ? ? 188 GLU B C 1 +ATOM 3436 O O . GLU B 1 189 ? 1.503 37.634 174.665 1.00 30.34 ? ? ? ? ? ? 188 GLU B O 1 +ATOM 3437 C CB . GLU B 1 189 ? -0.580 38.815 176.765 1.00 31.96 ? ? ? ? ? ? 188 GLU B CB 1 +ATOM 3438 C CG . GLU B 1 189 ? -1.148 39.522 178.001 1.00 45.19 ? ? ? ? ? ? 188 GLU B CG 1 +ATOM 3439 C CD . GLU B 1 189 ? -1.846 38.582 178.992 1.00 61.97 ? ? ? ? ? ? 188 GLU B CD 1 +ATOM 3440 O OE1 . GLU B 1 189 ? -2.084 37.388 178.662 1.00 66.60 ? ? ? ? ? ? 188 GLU B OE1 1 +ATOM 3441 O OE2 . GLU B 1 189 ? -2.177 39.061 180.103 1.00 71.03 ? ? ? ? ? ? 188 GLU B OE2 1 +ATOM 3442 N N . SER B 1 190 ? 1.452 36.263 176.443 1.00 32.01 ? ? ? ? ? ? 189 SER B N 1 +ATOM 3443 C CA . SER B 1 190 ? 1.828 35.072 175.698 1.00 32.91 ? ? ? ? ? ? 189 SER B CA 1 +ATOM 3444 C C . SER B 1 190 ? 0.952 33.906 176.113 1.00 33.58 ? ? ? ? ? ? 189 SER B C 1 +ATOM 3445 O O . SER B 1 190 ? 0.536 33.817 177.263 1.00 34.31 ? ? ? ? ? ? 189 SER B O 1 +ATOM 3446 C CB . SER B 1 190 ? 3.286 34.718 175.967 1.00 33.82 ? ? ? ? ? ? 189 SER B CB 1 +ATOM 3447 O OG . SER B 1 190 ? 3.449 34.184 177.286 1.00 39.26 ? ? ? ? ? ? 189 SER B OG 1 +ATOM 3448 N N . LYS B 1 191 ? 0.674 33.028 175.156 1.00 32.66 ? ? ? ? ? ? 190 LYS B N 1 +ATOM 3449 C CA . LYS B 1 191 ? -0.138 31.828 175.346 1.00 34.24 ? ? ? ? ? ? 190 LYS B CA 1 +ATOM 3450 C C . LYS B 1 191 ? 0.764 30.602 175.246 1.00 31.79 ? ? ? ? ? ? 190 LYS B C 1 +ATOM 3451 O O . LYS B 1 191 ? 1.655 30.566 174.403 1.00 30.97 ? ? ? ? ? ? 190 LYS B O 1 +ATOM 3452 C CB . LYS B 1 191 ? -1.190 31.756 174.238 1.00 34.61 ? ? ? ? ? ? 190 LYS B CB 1 +ATOM 3453 C CG . LYS B 1 191 ? -2.437 30.982 174.634 1.00 42.69 ? ? ? ? ? ? 190 LYS B CG 1 +ATOM 3454 C CD . LYS B 1 191 ? -3.625 31.306 173.726 1.00 48.63 ? ? ? ? ? ? 190 LYS B CD 1 +ATOM 3455 C CE . LYS B 1 191 ? -3.626 30.491 172.438 1.00 54.64 ? ? ? ? ? ? 190 LYS B CE 1 +ATOM 3456 N NZ . LYS B 1 191 ? -4.280 29.163 172.616 1.00 54.33 ? ? ? ? ? ? 190 LYS B NZ 1 +ATOM 3457 N N . PRO B 1 192 ? 0.557 29.602 176.105 1.00 30.78 ? ? ? ? ? ? 191 PRO B N 1 +ATOM 3458 C CA . PRO B 1 192 ? 1.366 28.378 176.032 1.00 29.69 ? ? ? ? ? ? 191 PRO B CA 1 +ATOM 3459 C C . PRO B 1 192 ? 0.901 27.422 174.932 1.00 27.15 ? ? ? ? ? ? 191 PRO B C 1 +ATOM 3460 O O . PRO B 1 192 ? -0.080 27.685 174.265 1.00 26.09 ? ? ? ? ? ? 191 PRO B O 1 +ATOM 3461 C CB . PRO B 1 192 ? 1.141 27.750 177.404 1.00 30.41 ? ? ? ? ? ? 191 PRO B CB 1 +ATOM 3462 C CG . PRO B 1 192 ? -0.250 28.150 177.746 1.00 31.04 ? ? ? ? ? ? 191 PRO B CG 1 +ATOM 3463 C CD . PRO B 1 192 ? -0.402 29.551 177.226 1.00 30.63 ? ? ? ? ? ? 191 PRO B CD 1 +ATOM 3464 N N . PHE B 1 193 ? 1.608 26.311 174.752 1.00 26.47 ? ? ? ? ? ? 192 PHE B N 1 +ATOM 3465 C CA . PHE B 1 193 ? 1.150 25.264 173.838 1.00 25.62 ? ? ? ? ? ? 192 PHE B CA 1 +ATOM 3466 C C . PHE B 1 193 ? -0.035 24.528 174.474 1.00 25.85 ? ? ? ? ? ? 192 PHE B C 1 +ATOM 3467 O O . PHE B 1 193 ? -0.187 24.555 175.690 1.00 25.90 ? ? ? ? ? ? 192 PHE B O 1 +ATOM 3468 C CB . PHE B 1 193 ? 2.254 24.241 173.592 1.00 24.90 ? ? ? ? ? ? 192 PHE B CB 1 +ATOM 3469 C CG . PHE B 1 193 ? 3.534 24.818 173.049 1.00 23.68 ? ? ? ? ? ? 192 PHE B CG 1 +ATOM 3470 C CD1 . PHE B 1 193 ? 3.569 25.432 171.802 1.00 24.87 ? ? ? ? ? ? 192 PHE B CD1 1 +ATOM 3471 C CD2 . PHE B 1 193 ? 4.709 24.727 173.775 1.00 23.73 ? ? ? ? ? ? 192 PHE B CD2 1 +ATOM 3472 C CE1 . PHE B 1 193 ? 4.786 25.937 171.286 1.00 25.88 ? ? ? ? ? ? 192 PHE B CE1 1 +ATOM 3473 C CE2 . PHE B 1 193 ? 5.928 25.240 173.261 1.00 27.19 ? ? ? ? ? ? 192 PHE B CE2 1 +ATOM 3474 C CZ . PHE B 1 193 ? 5.963 25.831 172.023 1.00 24.05 ? ? ? ? ? ? 192 PHE B CZ 1 +ATOM 3475 N N . ALA B 1 194 ? -0.829 23.845 173.657 1.00 26.09 ? ? ? ? ? ? 193 ALA B N 1 +ATOM 3476 C CA . ALA B 1 194 ? -1.871 22.914 174.135 1.00 27.14 ? ? ? ? ? ? 193 ALA B CA 1 +ATOM 3477 C C . ALA B 1 194 ? -1.314 21.528 174.443 1.00 28.22 ? ? ? ? ? ? 193 ALA B C 1 +ATOM 3478 O O . ALA B 1 194 ? -2.042 20.678 174.959 1.00 29.30 ? ? ? ? ? ? 193 ALA B O 1 +ATOM 3479 C CB . ALA B 1 194 ? -3.007 22.793 173.113 1.00 25.57 ? ? ? ? ? ? 193 ALA B CB 1 +ATOM 3480 N N . ILE B 1 195 ? -0.040 21.296 174.106 1.00 27.87 ? ? ? ? ? ? 194 ILE B N 1 +ATOM 3481 C CA . ILE B 1 195 ? 0.658 20.041 174.407 1.00 25.24 ? ? ? ? ? ? 194 ILE B CA 1 +ATOM 3482 C C . ILE B 1 195 ? 1.439 20.297 175.703 1.00 26.22 ? ? ? ? ? ? 194 ILE B C 1 +ATOM 3483 O O . ILE B 1 195 ? 2.451 21.005 175.690 1.00 26.43 ? ? ? ? ? ? 194 ILE B O 1 +ATOM 3484 C CB . ILE B 1 195 ? 1.615 19.632 173.240 1.00 25.38 ? ? ? ? ? ? 194 ILE B CB 1 +ATOM 3485 C CG1 . ILE B 1 195 ? 0.834 19.453 171.921 1.00 24.52 ? ? ? ? ? ? 194 ILE B CG1 1 +ATOM 3486 C CG2 . ILE B 1 195 ? 2.425 18.379 173.589 1.00 22.22 ? ? ? ? ? ? 194 ILE B CG2 1 +ATOM 3487 C CD1 . ILE B 1 195 ? 1.697 18.991 170.676 1.00 23.00 ? ? ? ? ? ? 194 ILE B CD1 1 +ATOM 3488 N N . ALA B 1 196 ? 0.952 19.723 176.813 1.00 25.74 ? ? ? ? ? ? 195 ALA B N 1 +ATOM 3489 C CA . ALA B 1 196 ? 1.429 20.037 178.171 1.00 25.08 ? ? ? ? ? ? 195 ALA B CA 1 +ATOM 3490 C C . ALA B 1 196 ? 2.910 19.756 178.345 1.00 24.72 ? ? ? ? ? ? 195 ALA B C 1 +ATOM 3491 O O . ALA B 1 196 ? 3.624 20.556 178.947 1.00 25.34 ? ? ? ? ? ? 195 ALA B O 1 +ATOM 3492 C CB . ALA B 1 196 ? 0.609 19.257 179.239 1.00 25.18 ? ? ? ? ? ? 195 ALA B CB 1 +ATOM 3493 N N . SER B 1 197 ? 3.366 18.625 177.813 1.00 24.15 ? ? ? ? ? ? 196 SER B N 1 +ATOM 3494 C CA . SER B 1 197 ? 4.764 18.239 177.908 1.00 23.80 ? ? ? ? ? ? 196 SER B CA 1 +ATOM 3495 C C . SER B 1 197 ? 5.726 19.211 177.185 1.00 23.39 ? ? ? ? ? ? 196 SER B C 1 +ATOM 3496 O O . SER B 1 197 ? 6.890 19.274 177.528 1.00 23.17 ? ? ? ? ? ? 196 SER B O 1 +ATOM 3497 C CB . SER B 1 197 ? 4.966 16.822 177.367 1.00 23.80 ? ? ? ? ? ? 196 SER B CB 1 +ATOM 3498 O OG . SER B 1 197 ? 4.133 15.896 178.047 1.00 25.02 ? ? ? ? ? ? 196 SER B OG 1 +ATOM 3499 N N . LEU B 1 198 ? 5.256 19.948 176.185 1.00 23.41 ? ? ? ? ? ? 197 LEU B N 1 +ATOM 3500 C CA . LEU B 1 198 ? 6.093 20.986 175.582 1.00 24.09 ? ? ? ? ? ? 197 LEU B CA 1 +ATOM 3501 C C . LEU B 1 198 ? 6.212 22.200 176.506 1.00 25.18 ? ? ? ? ? ? 197 LEU B C 1 +ATOM 3502 O O . LEU B 1 198 ? 7.276 22.830 176.585 1.00 25.95 ? ? ? ? ? ? 197 LEU B O 1 +ATOM 3503 C CB . LEU B 1 198 ? 5.580 21.414 174.204 1.00 21.95 ? ? ? ? ? ? 197 LEU B CB 1 +ATOM 3504 C CG . LEU B 1 198 ? 5.604 20.318 173.132 1.00 24.60 ? ? ? ? ? ? 197 LEU B CG 1 +ATOM 3505 C CD1 . LEU B 1 198 ? 5.090 20.857 171.829 1.00 22.45 ? ? ? ? ? ? 197 LEU B CD1 1 +ATOM 3506 C CD2 . LEU B 1 198 ? 6.983 19.649 172.968 1.00 14.47 ? ? ? ? ? ? 197 LEU B CD2 1 +ATOM 3507 N N . ASN B 1 199 ? 5.130 22.531 177.205 1.00 26.52 ? ? ? ? ? ? 198 ASN B N 1 +ATOM 3508 C CA . ASN B 1 199 ? 5.200 23.564 178.246 1.00 27.49 ? ? ? ? ? ? 198 ASN B CA 1 +ATOM 3509 C C . ASN B 1 199 ? 6.124 23.135 179.409 1.00 27.55 ? ? ? ? ? ? 198 ASN B C 1 +ATOM 3510 O O . ASN B 1 199 ? 6.822 23.977 179.961 1.00 27.10 ? ? ? ? ? ? 198 ASN B O 1 +ATOM 3511 C CB . ASN B 1 199 ? 3.799 23.931 178.763 1.00 27.28 ? ? ? ? ? ? 198 ASN B CB 1 +ATOM 3512 C CG . ASN B 1 199 ? 2.890 24.444 177.661 1.00 25.71 ? ? ? ? ? ? 198 ASN B CG 1 +ATOM 3513 O OD1 . ASN B 1 199 ? 3.285 25.283 176.825 1.00 24.98 ? ? ? ? ? ? 198 ASN B OD1 1 +ATOM 3514 N ND2 . ASN B 1 199 ? 1.685 23.922 177.628 1.00 26.58 ? ? ? ? ? ? 198 ASN B ND2 1 +ATOM 3515 N N . GLU B 1 200 ? 6.151 21.836 179.728 1.00 28.45 ? ? ? ? ? ? 199 GLU B N 1 +ATOM 3516 C CA . GLU B 1 200 ? 7.048 21.294 180.766 1.00 31.08 ? ? ? ? ? ? 199 GLU B CA 1 +ATOM 3517 C C . GLU B 1 200 ? 8.466 21.069 180.252 1.00 30.17 ? ? ? ? ? ? 199 GLU B C 1 +ATOM 3518 O O . GLU B 1 200 ? 9.349 20.684 181.026 1.00 29.79 ? ? ? ? ? ? 199 GLU B O 1 +ATOM 3519 C CB . GLU B 1 200 ? 6.549 19.961 181.327 1.00 30.55 ? ? ? ? ? ? 199 GLU B CB 1 +ATOM 3520 C CG . GLU B 1 200 ? 5.080 19.881 181.812 1.00 37.30 ? ? ? ? ? ? 199 GLU B CG 1 +ATOM 3521 C CD . GLU B 1 200 ? 4.510 18.413 181.747 1.00 39.19 ? ? ? ? ? ? 199 GLU B CD 1 +ATOM 3522 O OE1 . GLU B 1 200 ? 5.312 17.434 181.831 1.00 47.79 ? ? ? ? ? ? 199 GLU B OE1 1 +ATOM 3523 O OE2 . GLU B 1 200 ? 3.268 18.247 181.618 1.00 53.47 ? ? ? ? ? ? 199 GLU B OE2 1 +ATOM 3524 N N . LYS B 1 201 ? 8.680 21.253 178.950 1.00 30.01 ? ? ? ? ? ? 200 LYS B N 1 +ATOM 3525 C CA . LYS B 1 201 ? 10.011 21.175 178.359 1.00 29.78 ? ? ? ? ? ? 200 LYS B CA 1 +ATOM 3526 C C . LYS B 1 201 ? 10.586 19.761 178.314 1.00 27.57 ? ? ? ? ? ? 200 LYS B C 1 +ATOM 3527 O O . LYS B 1 201 ? 11.798 19.567 178.377 1.00 27.91 ? ? ? ? ? ? 200 LYS B O 1 +ATOM 3528 C CB . LYS B 1 201 ? 10.944 22.165 179.058 1.00 30.37 ? ? ? ? ? ? 200 LYS B CB 1 +ATOM 3529 C CG . LYS B 1 201 ? 10.354 23.577 179.029 1.00 35.39 ? ? ? ? ? ? 200 LYS B CG 1 +ATOM 3530 C CD . LYS B 1 201 ? 11.328 24.663 179.426 1.00 42.03 ? ? ? ? ? ? 200 LYS B CD 1 +ATOM 3531 C CE . LYS B 1 201 ? 10.800 26.045 178.995 1.00 48.92 ? ? ? ? ? ? 200 LYS B CE 1 +ATOM 3532 N NZ . LYS B 1 201 ? 11.887 27.049 178.835 1.00 53.95 ? ? ? ? ? ? 200 LYS B NZ 1 +ATOM 3533 N N . VAL B 1 202 ? 9.710 18.763 178.191 1.00 25.40 ? ? ? ? ? ? 201 VAL B N 1 +ATOM 3534 C CA . VAL B 1 202 ? 10.157 17.381 177.922 1.00 24.37 ? ? ? ? ? ? 201 VAL B CA 1 +ATOM 3535 C C . VAL B 1 202 ? 10.833 17.346 176.518 1.00 23.90 ? ? ? ? ? ? 201 VAL B C 1 +ATOM 3536 O O . VAL B 1 202 ? 11.804 16.627 176.291 1.00 22.52 ? ? ? ? ? ? 201 VAL B O 1 +ATOM 3537 C CB . VAL B 1 202 ? 8.965 16.415 178.000 1.00 22.96 ? ? ? ? ? ? 201 VAL B CB 1 +ATOM 3538 C CG1 . VAL B 1 202 ? 9.373 14.981 177.705 1.00 20.19 ? ? ? ? ? ? 201 VAL B CG1 1 +ATOM 3539 C CG2 . VAL B 1 202 ? 8.280 16.553 179.360 1.00 20.18 ? ? ? ? ? ? 201 VAL B CG2 1 +ATOM 3540 N N . ALA B 1 203 ? 10.278 18.146 175.595 1.00 22.61 ? ? ? ? ? ? 202 ALA B N 1 +ATOM 3541 C CA . ALA B 1 203 ? 10.797 18.291 174.244 1.00 21.07 ? ? ? ? ? ? 202 ALA B CA 1 +ATOM 3542 C C . ALA B 1 203 ? 10.643 19.750 173.812 1.00 21.89 ? ? ? ? ? ? 202 ALA B C 1 +ATOM 3543 O O . ALA B 1 203 ? 9.848 20.477 174.392 1.00 22.08 ? ? ? ? ? ? 202 ALA B O 1 +ATOM 3544 C CB . ALA B 1 203 ? 10.047 17.388 173.334 1.00 19.37 ? ? ? ? ? ? 202 ALA B CB 1 +ATOM 3545 N N . TRP B 1 204 ? 11.414 20.178 172.813 1.00 22.29 ? ? ? ? ? ? 203 TRP B N 1 +ATOM 3546 C CA . TRP B 1 204 ? 11.393 21.583 172.325 1.00 20.81 ? ? ? ? ? ? 203 TRP B CA 1 +ATOM 3547 C C . TRP B 1 204 ? 10.694 21.693 170.984 1.00 20.22 ? ? ? ? ? ? 203 TRP B C 1 +ATOM 3548 O O . TRP B 1 204 ? 10.944 20.889 170.082 1.00 18.66 ? ? ? ? ? ? 203 TRP B O 1 +ATOM 3549 C CB . TRP B 1 204 ? 12.829 22.122 172.201 1.00 20.87 ? ? ? ? ? ? 203 TRP B CB 1 +ATOM 3550 C CG . TRP B 1 204 ? 12.939 23.556 171.728 1.00 21.99 ? ? ? ? ? ? 203 TRP B CG 1 +ATOM 3551 C CD1 . TRP B 1 204 ? 12.939 24.688 172.498 1.00 23.42 ? ? ? ? ? ? 203 TRP B CD1 1 +ATOM 3552 C CD2 . TRP B 1 204 ? 13.056 23.996 170.370 1.00 19.40 ? ? ? ? ? ? 203 TRP B CD2 1 +ATOM 3553 N NE1 . TRP B 1 204 ? 13.046 25.818 171.687 1.00 24.61 ? ? ? ? ? ? 203 TRP B NE1 1 +ATOM 3554 C CE2 . TRP B 1 204 ? 13.127 25.407 170.383 1.00 22.85 ? ? ? ? ? ? 203 TRP B CE2 1 +ATOM 3555 C CE3 . TRP B 1 204 ? 13.110 23.333 169.148 1.00 21.93 ? ? ? ? ? ? 203 TRP B CE3 1 +ATOM 3556 C CZ2 . TRP B 1 204 ? 13.256 26.147 169.230 1.00 25.23 ? ? ? ? ? ? 203 TRP B CZ2 1 +ATOM 3557 C CZ3 . TRP B 1 204 ? 13.257 24.074 168.008 1.00 21.74 ? ? ? ? ? ? 203 TRP B CZ3 1 +ATOM 3558 C CH2 . TRP B 1 204 ? 13.322 25.463 168.051 1.00 22.81 ? ? ? ? ? ? 203 TRP B CH2 1 +ATOM 3559 N N . VAL B 1 205 ? 9.786 22.667 170.886 1.00 19.95 ? ? ? ? ? ? 204 VAL B N 1 +ATOM 3560 C CA . VAL B 1 205 ? 9.153 23.089 169.656 1.00 20.30 ? ? ? ? ? ? 204 VAL B CA 1 +ATOM 3561 C C . VAL B 1 205 ? 9.232 24.622 169.657 1.00 21.71 ? ? ? ? ? ? 204 VAL B C 1 +ATOM 3562 O O . VAL B 1 205 ? 9.014 25.241 170.692 1.00 21.54 ? ? ? ? ? ? 204 VAL B O 1 +ATOM 3563 C CB . VAL B 1 205 ? 7.669 22.620 169.572 1.00 21.95 ? ? ? ? ? ? 204 VAL B CB 1 +ATOM 3564 C CG1 . VAL B 1 205 ? 6.963 23.281 168.410 1.00 19.77 ? ? ? ? ? ? 204 VAL B CG1 1 +ATOM 3565 C CG2 . VAL B 1 205 ? 7.547 21.043 169.465 1.00 18.77 ? ? ? ? ? ? 204 VAL B CG2 1 +ATOM 3566 N N . PRO B 1 206 ? 9.563 25.249 168.518 1.00 21.36 ? ? ? ? ? ? 205 PRO B N 1 +ATOM 3567 C CA . PRO B 1 206 ? 9.527 26.719 168.521 1.00 22.40 ? ? ? ? ? ? 205 PRO B CA 1 +ATOM 3568 C C . PRO B 1 206 ? 8.137 27.298 168.805 1.00 22.59 ? ? ? ? ? ? 205 PRO B C 1 +ATOM 3569 O O . PRO B 1 206 ? 7.126 26.736 168.374 1.00 23.10 ? ? ? ? ? ? 205 PRO B O 1 +ATOM 3570 C CB . PRO B 1 206 ? 9.955 27.092 167.090 1.00 22.16 ? ? ? ? ? ? 205 PRO B CB 1 +ATOM 3571 C CG . PRO B 1 206 ? 9.646 25.877 166.277 1.00 21.29 ? ? ? ? ? ? 205 PRO B CG 1 +ATOM 3572 C CD . PRO B 1 206 ? 9.939 24.722 167.194 1.00 20.81 ? ? ? ? ? ? 205 PRO B CD 1 +ATOM 3573 N N . ARG B 1 207 ? 8.108 28.386 169.570 1.00 23.66 ? ? ? ? ? ? 206 ARG B N 1 +ATOM 3574 C CA . ARG B 1 207 ? 6.887 29.128 169.852 1.00 25.11 ? ? ? ? ? ? 206 ARG B CA 1 +ATOM 3575 C C . ARG B 1 207 ? 6.369 29.715 168.559 1.00 22.52 ? ? ? ? ? ? 206 ARG B C 1 +ATOM 3576 O O . ARG B 1 207 ? 7.137 30.271 167.804 1.00 21.90 ? ? ? ? ? ? 206 ARG B O 1 +ATOM 3577 C CB . ARG B 1 207 ? 7.171 30.231 170.873 1.00 25.31 ? ? ? ? ? ? 206 ARG B CB 1 +ATOM 3578 C CG . ARG B 1 207 ? 5.993 31.187 171.154 1.00 28.56 ? ? ? ? ? ? 206 ARG B CG 1 +ATOM 3579 C CD . ARG B 1 207 ? 6.443 32.472 171.868 1.00 31.63 ? ? ? ? ? ? 206 ARG B CD 1 +ATOM 3580 N NE . ARG B 1 207 ? 7.187 32.254 173.120 1.00 39.34 ? ? ? ? ? ? 206 ARG B NE 1 +ATOM 3581 C CZ . ARG B 1 207 ? 6.626 31.941 174.298 1.00 47.36 ? ? ? ? ? ? 206 ARG B CZ 1 +ATOM 3582 N NH1 . ARG B 1 207 ? 5.303 31.803 174.426 1.00 46.28 ? ? ? ? ? ? 206 ARG B NH1 1 +ATOM 3583 N NH2 . ARG B 1 207 ? 7.391 31.784 175.380 1.00 46.76 ? ? ? ? ? ? 206 ARG B NH2 1 +ATOM 3584 N N . HIS B 1 208 ? 5.075 29.569 168.270 1.00 22.41 ? ? ? ? ? ? 207 HIS B N 1 +ATOM 3585 C CA . HIS B 1 208 ? 4.479 30.280 167.127 1.00 22.58 ? ? ? ? ? ? 207 HIS B CA 1 +ATOM 3586 C C . HIS B 1 208 ? 3.971 31.697 167.534 1.00 24.19 ? ? ? ? ? ? 207 HIS B C 1 +ATOM 3587 O O . HIS B 1 208 ? 3.054 31.852 168.346 1.00 23.76 ? ? ? ? ? ? 207 HIS B O 1 +ATOM 3588 C CB . HIS B 1 208 ? 3.360 29.456 166.483 1.00 22.85 ? ? ? ? ? ? 207 HIS B CB 1 +ATOM 3589 C CG . HIS B 1 208 ? 3.815 28.148 165.901 1.00 23.21 ? ? ? ? ? ? 207 HIS B CG 1 +ATOM 3590 N ND1 . HIS B 1 208 ? 3.181 27.556 164.834 1.00 26.06 ? ? ? ? ? ? 207 HIS B ND1 1 +ATOM 3591 C CD2 . HIS B 1 208 ? 4.856 27.335 166.218 1.00 23.04 ? ? ? ? ? ? 207 HIS B CD2 1 +ATOM 3592 C CE1 . HIS B 1 208 ? 3.803 26.430 164.521 1.00 25.19 ? ? ? ? ? ? 207 HIS B CE1 1 +ATOM 3593 N NE2 . HIS B 1 208 ? 4.822 26.272 165.349 1.00 20.27 ? ? ? ? ? ? 207 HIS B NE2 1 +ATOM 3594 N N . TRP B 1 209 ? 4.578 32.723 166.953 1.00 24.37 ? ? ? ? ? ? 208 TRP B N 1 +ATOM 3595 C CA . TRP B 1 209 ? 4.303 34.125 167.317 1.00 24.44 ? ? ? ? ? ? 208 TRP B CA 1 +ATOM 3596 C C . TRP B 1 209 ? 2.865 34.565 167.038 1.00 25.55 ? ? ? ? ? ? 208 TRP B C 1 +ATOM 3597 O O . TRP B 1 209 ? 2.260 35.294 167.820 1.00 25.91 ? ? ? ? ? ? 208 TRP B O 1 +ATOM 3598 C CB . TRP B 1 209 ? 5.290 35.071 166.620 1.00 24.15 ? ? ? ? ? ? 208 TRP B CB 1 +ATOM 3599 C CG . TRP B 1 209 ? 6.162 35.768 167.571 1.00 25.28 ? ? ? ? ? ? 208 TRP B CG 1 +ATOM 3600 C CD1 . TRP B 1 209 ? 6.111 37.089 167.918 1.00 24.32 ? ? ? ? ? ? 208 TRP B CD1 1 +ATOM 3601 C CD2 . TRP B 1 209 ? 7.225 35.192 168.343 1.00 23.75 ? ? ? ? ? ? 208 TRP B CD2 1 +ATOM 3602 N NE1 . TRP B 1 209 ? 7.071 37.369 168.861 1.00 25.36 ? ? ? ? ? ? 208 TRP B NE1 1 +ATOM 3603 C CE2 . TRP B 1 209 ? 7.773 36.231 169.135 1.00 22.10 ? ? ? ? ? ? 208 TRP B CE2 1 +ATOM 3604 C CE3 . TRP B 1 209 ? 7.777 33.915 168.426 1.00 23.67 ? ? ? ? ? ? 208 TRP B CE3 1 +ATOM 3605 C CZ2 . TRP B 1 209 ? 8.830 36.039 169.978 1.00 22.89 ? ? ? ? ? ? 208 TRP B CZ2 1 +ATOM 3606 C CZ3 . TRP B 1 209 ? 8.840 33.723 169.287 1.00 27.82 ? ? ? ? ? ? 208 TRP B CZ3 1 +ATOM 3607 C CH2 . TRP B 1 209 ? 9.351 34.778 170.056 1.00 28.77 ? ? ? ? ? ? 208 TRP B CH2 1 +ATOM 3608 N N . ASP B 1 210 ? 2.338 34.112 165.916 1.00 26.06 ? ? ? ? ? ? 209 ASP B N 1 +ATOM 3609 C CA . ASP B 1 210 ? 0.962 34.353 165.512 1.00 28.15 ? ? ? ? ? ? 209 ASP B CA 1 +ATOM 3610 C C . ASP B 1 210 ? -0.074 33.758 166.496 1.00 29.38 ? ? ? ? ? ? 209 ASP B C 1 +ATOM 3611 O O . ASP B 1 210 ? -1.146 34.318 166.663 1.00 29.51 ? ? ? ? ? ? 209 ASP B O 1 +ATOM 3612 C CB . ASP B 1 210 ? 0.716 33.839 164.067 1.00 27.26 ? ? ? ? ? ? 209 ASP B CB 1 +ATOM 3613 C CG . ASP B 1 210 ? 1.098 32.353 163.875 1.00 31.58 ? ? ? ? ? ? 209 ASP B CG 1 +ATOM 3614 O OD1 . ASP B 1 210 ? 2.166 31.872 164.356 1.00 28.15 ? ? ? ? ? ? 209 ASP B OD1 1 +ATOM 3615 O OD2 . ASP B 1 210 ? 0.324 31.653 163.193 1.00 37.07 ? ? ? ? ? ? 209 ASP B OD2 1 +ATOM 3616 N N . LYS B 1 211 ? 0.262 32.644 167.147 1.00 29.63 ? ? ? ? ? ? 210 LYS B N 1 +ATOM 3617 C CA . LYS B 1 211 ? -0.649 31.972 168.060 1.00 30.08 ? ? ? ? ? ? 210 LYS B CA 1 +ATOM 3618 C C . LYS B 1 211 ? -0.425 32.393 169.509 1.00 29.92 ? ? ? ? ? ? 210 LYS B C 1 +ATOM 3619 O O . LYS B 1 211 ? -1.361 32.398 170.302 1.00 31.26 ? ? ? ? ? ? 210 LYS B O 1 +ATOM 3620 C CB . LYS B 1 211 ? -0.474 30.451 167.960 1.00 31.58 ? ? ? ? ? ? 210 LYS B CB 1 +ATOM 3621 C CG . LYS B 1 211 ? -0.668 29.849 166.585 1.00 33.90 ? ? ? ? ? ? 210 LYS B CG 1 +ATOM 3622 C CD . LYS B 1 211 ? -2.120 29.843 166.145 1.00 39.99 ? ? ? ? ? ? 210 LYS B CD 1 +ATOM 3623 C CE . LYS B 1 211 ? -2.232 29.143 164.780 1.00 47.56 ? ? ? ? ? ? 210 LYS B CE 1 +ATOM 3624 N NZ . LYS B 1 211 ? -3.590 29.280 164.167 1.00 51.21 ? ? ? ? ? ? 210 LYS B NZ 1 +ATOM 3625 N N . ALA B 1 212 ? 0.814 32.740 169.832 1.00 29.23 ? ? ? ? ? ? 211 ALA B N 1 +ATOM 3626 C CA . ALA B 1 212 ? 1.255 32.867 171.194 1.00 29.11 ? ? ? ? ? ? 211 ALA B CA 1 +ATOM 3627 C C . ALA B 1 212 ? 1.475 34.301 171.649 1.00 30.36 ? ? ? ? ? ? 211 ALA B C 1 +ATOM 3628 O O . ALA B 1 212 ? 1.609 34.527 172.835 1.00 31.98 ? ? ? ? ? ? 211 ALA B O 1 +ATOM 3629 C CB . ALA B 1 212 ? 2.541 32.032 171.408 1.00 29.56 ? ? ? ? ? ? 211 ALA B CB 1 +ATOM 3630 N N . THR B 1 213 ? 1.539 35.274 170.737 1.00 30.69 ? ? ? ? ? ? 212 THR B N 1 +ATOM 3631 C CA . THR B 1 213 ? 1.724 36.680 171.152 1.00 32.64 ? ? ? ? ? ? 212 THR B CA 1 +ATOM 3632 C C . THR B 1 213 ? 0.705 37.605 170.456 1.00 32.56 ? ? ? ? ? ? 212 THR B C 1 +ATOM 3633 O O . THR B 1 213 ? 0.126 37.253 169.420 1.00 35.51 ? ? ? ? ? ? 212 THR B O 1 +ATOM 3634 C CB . THR B 1 213 ? 3.188 37.199 170.934 1.00 31.85 ? ? ? ? ? ? 212 THR B CB 1 +ATOM 3635 O OG1 . THR B 1 213 ? 3.326 37.716 169.610 1.00 44.64 ? ? ? ? ? ? 212 THR B OG1 1 +ATOM 3636 C CG2 . THR B 1 213 ? 4.235 36.096 171.146 1.00 28.65 ? ? ? ? ? ? 212 THR B CG2 1 +ATOM 3637 N N . VAL B 1 214 ? 0.475 38.773 171.045 1.00 32.70 ? ? ? ? ? ? 213 VAL B N 1 +ATOM 3638 C CA . VAL B 1 214 ? -0.462 39.757 170.508 1.00 33.29 ? ? ? ? ? ? 213 VAL B CA 1 +ATOM 3639 C C . VAL B 1 214 ? 0.278 40.919 169.900 1.00 31.44 ? ? ? ? ? ? 213 VAL B C 1 +ATOM 3640 O O . VAL B 1 214 ? 0.015 41.314 168.760 1.00 32.31 ? ? ? ? ? ? 213 VAL B O 1 +ATOM 3641 C CB . VAL B 1 214 ? -1.361 40.335 171.611 1.00 35.69 ? ? ? ? ? ? 213 VAL B CB 1 +ATOM 3642 C CG1 . VAL B 1 214 ? -2.267 41.432 171.035 1.00 37.76 ? ? ? ? ? ? 213 VAL B CG1 1 +ATOM 3643 C CG2 . VAL B 1 214 ? -2.148 39.207 172.285 1.00 36.79 ? ? ? ? ? ? 213 VAL B CG2 1 +ATOM 3644 N N . ASP B 1 215 ? 1.215 41.456 170.669 1.00 29.13 ? ? ? ? ? ? 214 ASP B N 1 +ATOM 3645 C CA . ASP B 1 215 ? 1.950 42.657 170.301 1.00 28.95 ? ? ? ? ? ? 214 ASP B CA 1 +ATOM 3646 C C . ASP B 1 215 ? 3.379 42.356 169.842 1.00 27.42 ? ? ? ? ? ? 214 ASP B C 1 +ATOM 3647 O O . ASP B 1 215 ? 4.139 43.293 169.559 1.00 26.08 ? ? ? ? ? ? 214 ASP B O 1 +ATOM 3648 C CB . ASP B 1 215 ? 1.942 43.656 171.477 1.00 29.71 ? ? ? ? ? ? 214 ASP B CB 1 +ATOM 3649 C CG . ASP B 1 215 ? 2.506 43.069 172.786 1.00 33.65 ? ? ? ? ? ? 214 ASP B CG 1 +ATOM 3650 O OD1 . ASP B 1 215 ? 3.473 42.252 172.749 1.00 35.17 ? ? ? ? ? ? 214 ASP B OD1 1 +ATOM 3651 O OD2 . ASP B 1 215 ? 2.003 43.460 173.859 1.00 33.65 ? ? ? ? ? ? 214 ASP B OD2 1 +ATOM 3652 N N . SER B 1 216 ? 3.707 41.058 169.750 1.00 25.98 ? ? ? ? ? ? 215 SER B N 1 +ATOM 3653 C CA . SER B 1 216 ? 5.053 40.532 169.398 1.00 25.52 ? ? ? ? ? ? 215 SER B CA 1 +ATOM 3654 C C . SER B 1 216 ? 6.046 40.408 170.573 1.00 25.49 ? ? ? ? ? ? 215 SER B C 1 +ATOM 3655 O O . SER B 1 216 ? 7.121 39.791 170.421 1.00 26.99 ? ? ? ? ? ? 215 SER B O 1 +ATOM 3656 C CB . SER B 1 216 ? 5.672 41.270 168.192 1.00 23.42 ? ? ? ? ? ? 215 SER B CB 1 +ATOM 3657 O OG . SER B 1 216 ? 6.529 42.341 168.571 1.00 25.53 ? ? ? ? ? ? 215 SER B OG 1 +ATOM 3658 N N . GLY B 1 217 ? 5.709 40.972 171.731 1.00 23.63 ? ? ? ? ? ? 216 GLY B N 1 +ATOM 3659 C CA . GLY B 1 217 ? 6.500 40.788 172.933 1.00 22.49 ? ? ? ? ? ? 216 GLY B CA 1 +ATOM 3660 C C . GLY B 1 217 ? 6.098 39.537 173.705 1.00 22.67 ? ? ? ? ? ? 216 GLY B C 1 +ATOM 3661 O O . GLY B 1 217 ? 4.933 39.056 173.623 1.00 22.39 ? ? ? ? ? ? 216 GLY B O 1 +ATOM 3662 N N . VAL B 1 218 ? 7.052 38.998 174.447 1.00 23.29 ? ? ? ? ? ? 217 VAL B N 1 +ATOM 3663 C CA . VAL B 1 218 ? 6.791 37.905 175.379 1.00 24.14 ? ? ? ? ? ? 217 VAL B CA 1 +ATOM 3664 C C . VAL B 1 218 ? 7.287 38.325 176.762 1.00 24.63 ? ? ? ? ? ? 217 VAL B C 1 +ATOM 3665 O O . VAL B 1 218 ? 8.466 38.220 177.052 1.00 24.21 ? ? ? ? ? ? 217 VAL B O 1 +ATOM 3666 C CB . VAL B 1 218 ? 7.484 36.562 174.946 1.00 24.48 ? ? ? ? ? ? 217 VAL B CB 1 +ATOM 3667 C CG1 . VAL B 1 218 ? 6.971 35.392 175.819 1.00 23.49 ? ? ? ? ? ? 217 VAL B CG1 1 +ATOM 3668 C CG2 . VAL B 1 218 ? 7.208 36.290 173.494 1.00 20.59 ? ? ? ? ? ? 217 VAL B CG2 1 +ATOM 3669 N N . GLY B 1 219 ? 6.370 38.785 177.616 1.00 25.21 ? ? ? ? ? ? 218 GLY B N 1 +ATOM 3670 C CA . GLY B 1 219 ? 6.740 39.323 178.927 1.00 25.62 ? ? ? ? ? ? 218 GLY B CA 1 +ATOM 3671 C C . GLY B 1 219 ? 6.372 40.809 179.015 1.00 26.47 ? ? ? ? ? ? 218 GLY B C 1 +ATOM 3672 O O . GLY B 1 219 ? 6.631 41.590 178.078 1.00 25.92 ? ? ? ? ? ? 218 GLY B O 1 +ATOM 3673 N N . ASN B 1 220 ? 5.786 41.200 180.146 1.00 27.03 ? ? ? ? ? ? 219 ASN B N 1 +ATOM 3674 C CA . ASN B 1 220 ? 5.362 42.575 180.374 1.00 26.25 ? ? ? ? ? ? 219 ASN B CA 1 +ATOM 3675 C C . ASN B 1 220 ? 6.576 43.441 180.724 1.00 24.35 ? ? ? ? ? ? 219 ASN B C 1 +ATOM 3676 O O . ASN B 1 220 ? 7.299 43.156 181.688 1.00 25.00 ? ? ? ? ? ? 219 ASN B O 1 +ATOM 3677 C CB . ASN B 1 220 ? 4.320 42.599 181.488 1.00 26.75 ? ? ? ? ? ? 219 ASN B CB 1 +ATOM 3678 C CG . ASN B 1 220 ? 3.594 43.909 181.578 1.00 29.76 ? ? ? ? ? ? 219 ASN B CG 1 +ATOM 3679 O OD1 . ASN B 1 220 ? 4.089 44.960 181.139 1.00 30.15 ? ? ? ? ? ? 219 ASN B OD1 1 +ATOM 3680 N ND2 . ASN B 1 220 ? 2.407 43.864 182.147 1.00 26.59 ? ? ? ? ? ? 219 ASN B ND2 1 +ATOM 3681 N N . PRO B 1 221 ? 6.845 44.476 179.914 1.00 23.56 ? ? ? ? ? ? 220 PRO B N 1 +ATOM 3682 C CA . PRO B 1 221 ? 7.976 45.375 180.186 1.00 25.03 ? ? ? ? ? ? 220 PRO B CA 1 +ATOM 3683 C C . PRO B 1 221 ? 7.673 46.557 181.123 1.00 25.63 ? ? ? ? ? ? 220 PRO B C 1 +ATOM 3684 O O . PRO B 1 221 ? 8.560 47.362 181.353 1.00 24.59 ? ? ? ? ? ? 220 PRO B O 1 +ATOM 3685 C CB . PRO B 1 221 ? 8.316 45.918 178.787 1.00 24.11 ? ? ? ? ? ? 220 PRO B CB 1 +ATOM 3686 C CG . PRO B 1 221 ? 6.989 45.994 178.102 1.00 22.52 ? ? ? ? ? ? 220 PRO B CG 1 +ATOM 3687 C CD . PRO B 1 221 ? 6.159 44.835 178.656 1.00 24.06 ? ? ? ? ? ? 220 PRO B CD 1 +ATOM 3688 N N . LYS B 1 222 ? 6.443 46.650 181.630 1.00 27.44 ? ? ? ? ? ? 221 LYS B N 1 +ATOM 3689 C CA . LYS B 1 222 ? 5.901 47.852 182.348 1.00 28.98 ? ? ? ? ? ? 221 LYS B CA 1 +ATOM 3690 C C . LYS B 1 222 ? 6.813 48.512 183.412 1.00 27.12 ? ? ? ? ? ? 221 LYS B C 1 +ATOM 3691 O O . LYS B 1 222 ? 6.864 49.755 183.537 1.00 27.19 ? ? ? ? ? ? 221 LYS B O 1 +ATOM 3692 C CB . LYS B 1 222 ? 4.577 47.473 183.017 1.00 30.81 ? ? ? ? ? ? 221 LYS B CB 1 +ATOM 3693 C CG . LYS B 1 222 ? 3.872 48.634 183.720 1.00 42.80 ? ? ? ? ? ? 221 LYS B CG 1 +ATOM 3694 C CD . LYS B 1 222 ? 2.391 48.342 184.041 1.00 39.99 ? ? ? ? ? ? 221 LYS B CD 1 +ATOM 3695 C CE . LYS B 1 222 ? 1.652 49.632 184.482 1.00 45.17 ? ? ? ? ? ? 221 LYS B CE 1 +ATOM 3696 N NZ . LYS B 1 222 ? 0.185 49.447 184.463 1.00 49.68 ? ? ? ? ? ? 221 LYS B NZ 1 +ATOM 3697 N N . LYS B 1 223 ? 7.514 47.663 184.161 1.00 26.49 ? ? ? ? ? ? 222 LYS B N 1 +ATOM 3698 C CA . LYS B 1 223 ? 8.329 48.060 185.289 1.00 26.41 ? ? ? ? ? ? 222 LYS B CA 1 +ATOM 3699 C C . LYS B 1 223 ? 9.770 48.336 184.915 1.00 25.16 ? ? ? ? ? ? 222 LYS B C 1 +ATOM 3700 O O . LYS B 1 223 ? 10.579 48.590 185.799 1.00 24.77 ? ? ? ? ? ? 222 LYS B O 1 +ATOM 3701 C CB . LYS B 1 223 ? 8.299 46.977 186.387 1.00 28.97 ? ? ? ? ? ? 222 LYS B CB 1 +ATOM 3702 C CG . LYS B 1 223 ? 6.888 46.536 186.837 1.00 32.22 ? ? ? ? ? ? 222 LYS B CG 1 +ATOM 3703 C CD . LYS B 1 223 ? 6.224 47.616 187.672 1.00 42.51 ? ? ? ? ? ? 222 LYS B CD 1 +ATOM 3704 C CE . LYS B 1 223 ? 4.721 47.407 187.831 1.00 47.42 ? ? ? ? ? ? 222 LYS B CE 1 +ATOM 3705 N NZ . LYS B 1 223 ? 4.159 48.375 188.826 1.00 48.48 ? ? ? ? ? ? 222 LYS B NZ 1 +ATOM 3706 N N . ALA B 1 224 ? 10.098 48.331 183.625 1.00 23.95 ? ? ? ? ? ? 223 ALA B N 1 +ATOM 3707 C CA . ALA B 1 224 ? 11.455 48.640 183.196 1.00 22.80 ? ? ? ? ? ? 223 ALA B CA 1 +ATOM 3708 C C . ALA B 1 224 ? 11.899 50.056 183.580 1.00 22.74 ? ? ? ? ? ? 223 ALA B C 1 +ATOM 3709 O O . ALA B 1 224 ? 11.114 51.004 183.539 1.00 22.35 ? ? ? ? ? ? 223 ALA B O 1 +ATOM 3710 C CB . ALA B 1 224 ? 11.615 48.409 181.672 1.00 18.31 ? ? ? ? ? ? 223 ALA B CB 1 +ATOM 3711 N N . THR B 1 225 ? 13.167 50.204 183.940 1.00 22.21 ? ? ? ? ? ? 224 THR B N 1 +ATOM 3712 C CA . THR B 1 225 ? 13.725 51.528 184.221 1.00 22.06 ? ? ? ? ? ? 224 THR B CA 1 +ATOM 3713 C C . THR B 1 225 ? 15.164 51.565 183.795 1.00 22.04 ? ? ? ? ? ? 224 THR B C 1 +ATOM 3714 O O . THR B 1 225 ? 15.802 50.530 183.725 1.00 21.55 ? ? ? ? ? ? 224 THR B O 1 +ATOM 3715 C CB . THR B 1 225 ? 13.659 51.868 185.723 1.00 24.38 ? ? ? ? ? ? 224 THR B CB 1 +ATOM 3716 O OG1 . THR B 1 225 ? 14.537 51.004 186.457 1.00 21.18 ? ? ? ? ? ? 224 THR B OG1 1 +ATOM 3717 C CG2 . THR B 1 225 ? 12.236 51.737 186.269 1.00 17.67 ? ? ? ? ? ? 224 THR B CG2 1 +ATOM 3718 N N . ALA B 1 226 ? 15.685 52.754 183.503 1.00 21.82 ? ? ? ? ? ? 225 ALA B N 1 +ATOM 3719 C CA . ALA B 1 226 ? 17.131 52.923 183.223 1.00 21.69 ? ? ? ? ? ? 225 ALA B CA 1 +ATOM 3720 C C . ALA B 1 226 ? 17.997 52.460 184.398 1.00 24.39 ? ? ? ? ? ? 225 ALA B C 1 +ATOM 3721 O O . ALA B 1 226 ? 19.103 51.884 184.225 1.00 24.35 ? ? ? ? ? ? 225 ALA B O 1 +ATOM 3722 C CB . ALA B 1 226 ? 17.456 54.407 182.870 1.00 19.19 ? ? ? ? ? ? 225 ALA B CB 1 +ATOM 3723 N N . GLU B 1 227 ? 17.506 52.727 185.611 1.00 26.28 ? ? ? ? ? ? 226 GLU B N 1 +ATOM 3724 C CA . GLU B 1 227 ? 18.218 52.348 186.825 1.00 26.87 ? ? ? ? ? ? 226 GLU B CA 1 +ATOM 3725 C C . GLU B 1 227 ? 18.433 50.869 186.843 1.00 24.12 ? ? ? ? ? ? 226 GLU B C 1 +ATOM 3726 O O . GLU B 1 227 ? 19.540 50.400 187.063 1.00 23.95 ? ? ? ? ? ? 226 GLU B O 1 +ATOM 3727 C CB . GLU B 1 227 ? 17.423 52.762 188.076 1.00 29.09 ? ? ? ? ? ? 226 GLU B CB 1 +ATOM 3728 C CG . GLU B 1 227 ? 18.112 52.446 189.425 1.00 34.94 ? ? ? ? ? ? 226 GLU B CG 1 +ATOM 3729 C CD . GLU B 1 227 ? 17.419 53.088 190.662 1.00 33.60 ? ? ? ? ? ? 226 GLU B CD 1 +ATOM 3730 O OE1 . GLU B 1 227 ? 16.770 54.148 190.540 1.00 51.27 ? ? ? ? ? ? 226 GLU B OE1 1 +ATOM 3731 O OE2 . GLU B 1 227 ? 17.539 52.533 191.773 1.00 54.85 ? ? ? ? ? ? 226 GLU B OE2 1 +ATOM 3732 N N . LYS B 1 228 ? 17.354 50.122 186.633 1.00 23.43 ? ? ? ? ? ? 227 LYS B N 1 +ATOM 3733 C CA . LYS B 1 228 ? 17.421 48.661 186.649 1.00 24.03 ? ? ? ? ? ? 227 LYS B CA 1 +ATOM 3734 C C . LYS B 1 228 ? 18.354 48.140 185.567 1.00 23.53 ? ? ? ? ? ? 227 LYS B C 1 +ATOM 3735 O O . LYS B 1 228 ? 19.092 47.183 185.802 1.00 24.47 ? ? ? ? ? ? 227 LYS B O 1 +ATOM 3736 C CB . LYS B 1 228 ? 16.049 48.044 186.493 1.00 23.51 ? ? ? ? ? ? 227 LYS B CB 1 +ATOM 3737 C CG . LYS B 1 228 ? 15.175 48.114 187.721 1.00 24.61 ? ? ? ? ? ? 227 LYS B CG 1 +ATOM 3738 C CD . LYS B 1 228 ? 13.879 47.424 187.389 1.00 27.19 ? ? ? ? ? ? 227 LYS B CD 1 +ATOM 3739 C CE . LYS B 1 228 ? 12.852 47.465 188.455 1.00 24.76 ? ? ? ? ? ? 227 LYS B CE 1 +ATOM 3740 N NZ . LYS B 1 228 ? 11.511 46.997 187.903 1.00 20.49 ? ? ? ? ? ? 227 LYS B NZ 1 +ATOM 3741 N N . GLY B 1 229 ? 18.347 48.787 184.405 1.00 23.73 ? ? ? ? ? ? 228 GLY B N 1 +ATOM 3742 C CA . GLY B 1 229 ? 19.231 48.417 183.301 1.00 23.34 ? ? ? ? ? ? 228 GLY B CA 1 +ATOM 3743 C C . GLY B 1 229 ? 20.687 48.648 183.600 1.00 23.75 ? ? ? ? ? ? 228 GLY B C 1 +ATOM 3744 O O . GLY B 1 229 ? 21.531 47.824 183.264 1.00 23.91 ? ? ? ? ? ? 228 GLY B O 1 +ATOM 3745 N N . GLU B 1 230 ? 20.990 49.789 184.219 1.00 24.96 ? ? ? ? ? ? 229 GLU B N 1 +ATOM 3746 C CA . GLU B 1 230 ? 22.368 50.151 184.580 1.00 26.91 ? ? ? ? ? ? 229 GLU B CA 1 +ATOM 3747 C C . GLU B 1 230 ? 22.959 49.173 185.603 1.00 25.84 ? ? ? ? ? ? 229 GLU B C 1 +ATOM 3748 O O . GLU B 1 230 ? 24.177 48.873 185.593 1.00 25.30 ? ? ? ? ? ? 229 GLU B O 1 +ATOM 3749 C CB . GLU B 1 230 ? 22.379 51.574 185.164 1.00 27.39 ? ? ? ? ? ? 229 GLU B CB 1 +ATOM 3750 C CG . GLU B 1 230 ? 23.760 52.122 185.544 1.00 32.26 ? ? ? ? ? ? 229 GLU B CG 1 +ATOM 3751 C CD . GLU B 1 230 ? 23.680 53.526 186.190 1.00 37.19 ? ? ? ? ? ? 229 GLU B CD 1 +ATOM 3752 O OE1 . GLU B 1 230 ? 22.653 53.816 186.876 1.00 47.16 ? ? ? ? ? ? 229 GLU B OE1 1 +ATOM 3753 O OE2 . GLU B 1 230 ? 24.633 54.328 186.002 1.00 48.99 ? ? ? ? ? ? 229 GLU B OE2 1 +ATOM 3754 N N . ARG B 1 231 ? 22.081 48.703 186.491 1.00 25.36 ? ? ? ? ? ? 230 ARG B N 1 +ATOM 3755 C CA . ARG B 1 231 ? 22.465 47.844 187.585 1.00 28.41 ? ? ? ? ? ? 230 ARG B CA 1 +ATOM 3756 C C . ARG B 1 231 ? 22.794 46.445 187.086 1.00 25.28 ? ? ? ? ? ? 230 ARG B C 1 +ATOM 3757 O O . ARG B 1 231 ? 23.774 45.847 187.526 1.00 25.81 ? ? ? ? ? ? 230 ARG B O 1 +ATOM 3758 C CB . ARG B 1 231 ? 21.373 47.795 188.660 1.00 27.71 ? ? ? ? ? ? 230 ARG B CB 1 +ATOM 3759 C CG . ARG B 1 231 ? 21.606 46.671 189.710 1.00 41.02 ? ? ? ? ? ? 230 ARG B CG 1 +ATOM 3760 C CD . ARG B 1 231 ? 20.909 46.861 191.064 1.00 39.41 ? ? ? ? ? ? 230 ARG B CD 1 +ATOM 3761 N NE . ARG B 1 231 ? 19.458 46.659 191.004 1.00 56.00 ? ? ? ? ? ? 230 ARG B NE 1 +ATOM 3762 C CZ . ARG B 1 231 ? 18.548 47.639 190.959 1.00 58.31 ? ? ? ? ? ? 230 ARG B CZ 1 +ATOM 3763 N NH1 . ARG B 1 231 ? 18.904 48.928 190.939 1.00 62.34 ? ? ? ? ? ? 230 ARG B NH1 1 +ATOM 3764 N NH2 . ARG B 1 231 ? 17.258 47.324 190.924 1.00 56.29 ? ? ? ? ? ? 230 ARG B NH2 1 +ATOM 3765 N N . TYR B 1 232 ? 21.948 45.928 186.195 1.00 23.81 ? ? ? ? ? ? 231 TYR B N 1 +ATOM 3766 C CA . TYR B 1 232 ? 22.134 44.612 185.567 1.00 23.00 ? ? ? ? ? ? 231 TYR B CA 1 +ATOM 3767 C C . TYR B 1 232 ? 23.350 44.544 184.650 1.00 22.35 ? ? ? ? ? ? 231 TYR B C 1 +ATOM 3768 O O . TYR B 1 232 ? 24.030 43.534 184.670 1.00 25.03 ? ? ? ? ? ? 231 TYR B O 1 +ATOM 3769 C CB . TYR B 1 232 ? 20.841 44.224 184.832 1.00 25.32 ? ? ? ? ? ? 231 TYR B CB 1 +ATOM 3770 C CG . TYR B 1 232 ? 20.769 42.842 184.211 1.00 25.20 ? ? ? ? ? ? 231 TYR B CG 1 +ATOM 3771 C CD1 . TYR B 1 232 ? 21.045 41.685 184.948 1.00 25.76 ? ? ? ? ? ? 231 TYR B CD1 1 +ATOM 3772 C CD2 . TYR B 1 232 ? 20.352 42.695 182.883 1.00 23.59 ? ? ? ? ? ? 231 TYR B CD2 1 +ATOM 3773 C CE1 . TYR B 1 232 ? 20.949 40.401 184.345 1.00 22.48 ? ? ? ? ? ? 231 TYR B CE1 1 +ATOM 3774 C CE2 . TYR B 1 232 ? 20.244 41.463 182.296 1.00 23.05 ? ? ? ? ? ? 231 TYR B CE2 1 +ATOM 3775 C CZ . TYR B 1 232 ? 20.542 40.324 183.021 1.00 22.65 ? ? ? ? ? ? 231 TYR B CZ 1 +ATOM 3776 O OH . TYR B 1 232 ? 20.427 39.137 182.380 1.00 26.83 ? ? ? ? ? ? 231 TYR B OH 1 +ATOM 3777 N N . VAL B 1 233 ? 23.647 45.575 183.857 1.00 22.77 ? ? ? ? ? ? 232 VAL B N 1 +ATOM 3778 C CA . VAL B 1 233 ? 24.763 45.471 182.913 1.00 22.45 ? ? ? ? ? ? 232 VAL B CA 1 +ATOM 3779 C C . VAL B 1 233 ? 26.130 45.606 183.559 1.00 23.63 ? ? ? ? ? ? 232 VAL B C 1 +ATOM 3780 O O . VAL B 1 233 ? 27.126 45.195 182.976 1.00 23.56 ? ? ? ? ? ? 232 VAL B O 1 +ATOM 3781 C CB . VAL B 1 233 ? 24.676 46.445 181.660 1.00 26.61 ? ? ? ? ? ? 232 VAL B CB 1 +ATOM 3782 C CG1 . VAL B 1 233 ? 23.283 46.403 181.037 1.00 25.12 ? ? ? ? ? ? 232 VAL B CG1 1 +ATOM 3783 C CG2 . VAL B 1 233 ? 25.128 47.876 181.966 1.00 22.23 ? ? ? ? ? ? 232 VAL B CG2 1 +ATOM 3784 N N . LYS B 1 234 ? 26.211 46.209 184.742 1.00 23.78 ? ? ? ? ? ? 233 LYS B N 1 +ATOM 3785 C CA . LYS B 1 234 ? 27.523 46.402 185.362 1.00 28.90 ? ? ? ? ? ? 233 LYS B CA 1 +ATOM 3786 C C . LYS B 1 234 ? 28.264 45.070 185.589 1.00 22.81 ? ? ? ? ? ? 233 LYS B C 1 +ATOM 3787 O O . LYS B 1 234 ? 29.417 44.936 185.199 1.00 23.97 ? ? ? ? ? ? 233 LYS B O 1 +ATOM 3788 C CB . LYS B 1 234 ? 27.405 47.240 186.656 1.00 31.25 ? ? ? ? ? ? 233 LYS B CB 1 +ATOM 3789 C CG . LYS B 1 234 ? 28.723 47.829 187.146 1.00 37.27 ? ? ? ? ? ? 233 LYS B CG 1 +ATOM 3790 C CD . LYS B 1 234 ? 28.493 48.783 188.329 1.00 40.25 ? ? ? ? ? ? 233 LYS B CD 1 +ATOM 3791 C CE . LYS B 1 234 ? 28.203 48.023 189.637 1.00 52.14 ? ? ? ? ? ? 233 LYS B CE 1 +ATOM 3792 N NZ . LYS B 1 234 ? 29.414 47.896 190.502 1.00 54.71 ? ? ? ? ? ? 233 LYS B NZ 1 +ATOM 3793 N N . PRO B 1 235 ? 27.610 44.078 186.211 1.00 21.93 ? ? ? ? ? ? 234 PRO B N 1 +ATOM 3794 C CA . PRO B 1 235 ? 28.257 42.751 186.328 1.00 22.08 ? ? ? ? ? ? 234 PRO B CA 1 +ATOM 3795 C C . PRO B 1 235 ? 28.456 42.000 184.994 1.00 21.27 ? ? ? ? ? ? 234 PRO B C 1 +ATOM 3796 O O . PRO B 1 235 ? 29.451 41.278 184.851 1.00 21.15 ? ? ? ? ? ? 234 PRO B O 1 +ATOM 3797 C CB . PRO B 1 235 ? 27.308 41.985 187.255 1.00 21.27 ? ? ? ? ? ? 234 PRO B CB 1 +ATOM 3798 C CG . PRO B 1 235 ? 25.965 42.678 187.077 1.00 21.97 ? ? ? ? ? ? 234 PRO B CG 1 +ATOM 3799 C CD . PRO B 1 235 ? 26.290 44.110 186.873 1.00 23.14 ? ? ? ? ? ? 234 PRO B CD 1 +ATOM 3800 N N . ILE B 1 236 ? 27.554 42.187 184.019 1.00 21.71 ? ? ? ? ? ? 235 ILE B N 1 +ATOM 3801 C CA . ILE B 1 236 ? 27.730 41.571 182.669 1.00 20.59 ? ? ? ? ? ? 235 ILE B CA 1 +ATOM 3802 C C . ILE B 1 236 ? 29.022 42.118 182.044 1.00 20.92 ? ? ? ? ? ? 235 ILE B C 1 +ATOM 3803 O O . ILE B 1 236 ? 29.891 41.365 181.591 1.00 22.22 ? ? ? ? ? ? 235 ILE B O 1 +ATOM 3804 C CB . ILE B 1 236 ? 26.511 41.842 181.754 1.00 21.73 ? ? ? ? ? ? 235 ILE B CB 1 +ATOM 3805 C CG1 . ILE B 1 236 ? 25.281 41.123 182.307 1.00 20.09 ? ? ? ? ? ? 235 ILE B CG1 1 +ATOM 3806 C CG2 . ILE B 1 236 ? 26.749 41.387 180.291 1.00 19.07 ? ? ? ? ? ? 235 ILE B CG2 1 +ATOM 3807 C CD1 . ILE B 1 236 ? 24.003 41.518 181.674 1.00 19.93 ? ? ? ? ? ? 235 ILE B CD1 1 +ATOM 3808 N N . VAL B 1 237 ? 29.169 43.438 182.079 1.00 20.57 ? ? ? ? ? ? 236 VAL B N 1 +ATOM 3809 C CA . VAL B 1 237 ? 30.295 44.079 181.483 1.00 20.39 ? ? ? ? ? ? 236 VAL B CA 1 +ATOM 3810 C C . VAL B 1 237 ? 31.583 43.655 182.163 1.00 21.45 ? ? ? ? ? ? 236 VAL B C 1 +ATOM 3811 O O . VAL B 1 237 ? 32.621 43.583 181.524 1.00 22.17 ? ? ? ? ? ? 236 VAL B O 1 +ATOM 3812 C CB . VAL B 1 237 ? 30.165 45.646 181.538 1.00 21.84 ? ? ? ? ? ? 236 VAL B CB 1 +ATOM 3813 C CG1 . VAL B 1 237 ? 31.500 46.301 181.226 1.00 18.43 ? ? ? ? ? ? 236 VAL B CG1 1 +ATOM 3814 C CG2 . VAL B 1 237 ? 29.122 46.141 180.609 1.00 16.48 ? ? ? ? ? ? 236 VAL B CG2 1 +ATOM 3815 N N . GLU B 1 238 ? 31.532 43.417 183.467 1.00 23.17 ? ? ? ? ? ? 237 GLU B N 1 +ATOM 3816 C CA . GLU B 1 238 ? 32.731 42.986 184.211 1.00 23.59 ? ? ? ? ? ? 237 GLU B CA 1 +ATOM 3817 C C . GLU B 1 238 ? 33.124 41.553 183.927 1.00 21.84 ? ? ? ? ? ? 237 GLU B C 1 +ATOM 3818 O O . GLU B 1 238 ? 34.317 41.246 183.829 1.00 22.04 ? ? ? ? ? ? 237 GLU B O 1 +ATOM 3819 C CB . GLU B 1 238 ? 32.575 43.137 185.723 1.00 24.59 ? ? ? ? ? ? 237 GLU B CB 1 +ATOM 3820 C CG . GLU B 1 238 ? 33.955 43.417 186.372 1.00 33.53 ? ? ? ? ? ? 237 GLU B CG 1 +ATOM 3821 C CD . GLU B 1 238 ? 33.991 43.239 187.896 1.00 38.83 ? ? ? ? ? ? 237 GLU B CD 1 +ATOM 3822 O OE1 . GLU B 1 238 ? 32.910 43.411 188.557 1.00 48.01 ? ? ? ? ? ? 237 GLU B OE1 1 +ATOM 3823 O OE2 . GLU B 1 238 ? 35.114 42.923 188.416 1.00 44.60 ? ? ? ? ? ? 237 GLU B OE2 1 +ATOM 3824 N N . LYS B 1 239 ? 32.126 40.673 183.869 1.00 22.27 ? ? ? ? ? ? 238 LYS B N 1 +ATOM 3825 C CA . LYS B 1 239 ? 32.355 39.287 183.484 1.00 23.11 ? ? ? ? ? ? 238 LYS B CA 1 +ATOM 3826 C C . LYS B 1 239 ? 32.942 39.146 182.072 1.00 22.35 ? ? ? ? ? ? 238 LYS B C 1 +ATOM 3827 O O . LYS B 1 239 ? 33.874 38.396 181.872 1.00 22.38 ? ? ? ? ? ? 238 LYS B O 1 +ATOM 3828 C CB . LYS B 1 239 ? 31.076 38.478 183.653 1.00 25.17 ? ? ? ? ? ? 238 LYS B CB 1 +ATOM 3829 C CG . LYS B 1 239 ? 30.922 37.978 185.055 1.00 27.29 ? ? ? ? ? ? 238 LYS B CG 1 +ATOM 3830 C CD . LYS B 1 239 ? 29.677 37.147 185.215 1.00 35.67 ? ? ? ? ? ? 238 LYS B CD 1 +ATOM 3831 C CE . LYS B 1 239 ? 29.369 36.907 186.700 1.00 45.17 ? ? ? ? ? ? 238 LYS B CE 1 +ATOM 3832 N NZ . LYS B 1 239 ? 30.592 36.535 187.484 1.00 46.05 ? ? ? ? ? ? 238 LYS B NZ 1 +ATOM 3833 N N . LEU B 1 240 ? 32.414 39.893 181.098 1.00 22.70 ? ? ? ? ? ? 239 LEU B N 1 +ATOM 3834 C CA . LEU B 1 240 ? 32.908 39.808 179.717 1.00 21.40 ? ? ? ? ? ? 239 LEU B CA 1 +ATOM 3835 C C . LEU B 1 240 ? 34.306 40.388 179.608 1.00 20.82 ? ? ? ? ? ? 239 LEU B C 1 +ATOM 3836 O O . LEU B 1 240 ? 35.149 39.834 178.920 1.00 20.40 ? ? ? ? ? ? 239 LEU B O 1 +ATOM 3837 C CB . LEU B 1 240 ? 31.949 40.505 178.740 1.00 21.43 ? ? ? ? ? ? 239 LEU B CB 1 +ATOM 3838 C CG . LEU B 1 240 ? 30.606 39.787 178.541 1.00 21.81 ? ? ? ? ? ? 239 LEU B CG 1 +ATOM 3839 C CD1 . LEU B 1 240 ? 29.629 40.700 177.787 1.00 19.46 ? ? ? ? ? ? 239 LEU B CD1 1 +ATOM 3840 C CD2 . LEU B 1 240 ? 30.866 38.482 177.804 1.00 18.63 ? ? ? ? ? ? 239 LEU B CD2 1 +ATOM 3841 N N . ALA B 1 241 ? 34.558 41.491 180.303 1.00 21.37 ? ? ? ? ? ? 240 ALA B N 1 +ATOM 3842 C CA . ALA B 1 241 ? 35.925 42.062 180.336 1.00 20.73 ? ? ? ? ? ? 240 ALA B CA 1 +ATOM 3843 C C . ALA B 1 241 ? 36.930 41.037 180.877 1.00 20.61 ? ? ? ? ? ? 240 ALA B C 1 +ATOM 3844 O O . ALA B 1 241 ? 38.033 40.863 180.340 1.00 22.65 ? ? ? ? ? ? 240 ALA B O 1 +ATOM 3845 C CB . ALA B 1 241 ? 35.950 43.361 181.158 1.00 21.19 ? ? ? ? ? ? 240 ALA B CB 1 +ATOM 3846 N N . GLY B 1 242 ? 36.551 40.356 181.949 1.00 21.13 ? ? ? ? ? ? 241 GLY B N 1 +ATOM 3847 C CA . GLY B 1 242 ? 37.361 39.262 182.469 1.00 21.28 ? ? ? ? ? ? 241 GLY B CA 1 +ATOM 3848 C C . GLY B 1 242 ? 37.617 38.137 181.472 1.00 21.98 ? ? ? ? ? ? 241 GLY B C 1 +ATOM 3849 O O . GLY B 1 242 ? 38.736 37.611 181.373 1.00 22.32 ? ? ? ? ? ? 241 GLY B O 1 +ATOM 3850 N N . LEU B 1 243 ? 36.574 37.712 180.762 1.00 21.27 ? ? ? ? ? ? 242 LEU B N 1 +ATOM 3851 C CA . LEU B 1 243 ? 36.760 36.736 179.678 1.00 21.23 ? ? ? ? ? ? 242 LEU B CA 1 +ATOM 3852 C C . LEU B 1 243 ? 37.690 37.262 178.578 1.00 21.56 ? ? ? ? ? ? 242 LEU B C 1 +ATOM 3853 O O . LEU B 1 243 ? 38.568 36.562 178.131 1.00 21.59 ? ? ? ? ? ? 242 LEU B O 1 +ATOM 3854 C CB . LEU B 1 243 ? 35.402 36.323 179.117 1.00 21.96 ? ? ? ? ? ? 242 LEU B CB 1 +ATOM 3855 C CG . LEU B 1 243 ? 35.316 35.513 177.824 1.00 22.83 ? ? ? ? ? ? 242 LEU B CG 1 +ATOM 3856 C CD1 . LEU B 1 243 ? 35.926 34.147 177.941 1.00 18.88 ? ? ? ? ? ? 242 LEU B CD1 1 +ATOM 3857 C CD2 . LEU B 1 243 ? 33.821 35.402 177.497 1.00 19.19 ? ? ? ? ? ? 242 LEU B CD2 1 +ATOM 3858 N N . PHE B 1 244 ? 37.518 38.492 178.131 1.00 22.38 ? ? ? ? ? ? 243 PHE B N 1 +ATOM 3859 C CA . PHE B 1 244 ? 38.449 39.029 177.092 1.00 23.41 ? ? ? ? ? ? 243 PHE B CA 1 +ATOM 3860 C C . PHE B 1 244 ? 39.893 38.934 177.564 1.00 23.95 ? ? ? ? ? ? 243 PHE B C 1 +ATOM 3861 O O . PHE B 1 244 ? 40.780 38.558 176.806 1.00 25.18 ? ? ? ? ? ? 243 PHE B O 1 +ATOM 3862 C CB . PHE B 1 244 ? 38.171 40.505 176.736 1.00 23.86 ? ? ? ? ? ? 243 PHE B CB 1 +ATOM 3863 C CG . PHE B 1 244 ? 36.767 40.797 176.243 1.00 20.86 ? ? ? ? ? ? 243 PHE B CG 1 +ATOM 3864 C CD1 . PHE B 1 244 ? 35.866 39.784 175.953 1.00 26.05 ? ? ? ? ? ? 243 PHE B CD1 1 +ATOM 3865 C CD2 . PHE B 1 244 ? 36.361 42.103 176.068 1.00 23.72 ? ? ? ? ? ? 243 PHE B CD2 1 +ATOM 3866 C CE1 . PHE B 1 244 ? 34.608 40.063 175.532 1.00 23.86 ? ? ? ? ? ? 243 PHE B CE1 1 +ATOM 3867 C CE2 . PHE B 1 244 ? 35.072 42.398 175.615 1.00 22.95 ? ? ? ? ? ? 243 PHE B CE2 1 +ATOM 3868 C CZ . PHE B 1 244 ? 34.202 41.376 175.350 1.00 25.49 ? ? ? ? ? ? 243 PHE B CZ 1 +ATOM 3869 N N . GLU B 1 245 ? 40.126 39.298 178.821 1.00 24.17 ? ? ? ? ? ? 244 GLU B N 1 +ATOM 3870 C CA . GLU B 1 245 ? 41.477 39.268 179.408 1.00 24.63 ? ? ? ? ? ? 244 GLU B CA 1 +ATOM 3871 C C . GLU B 1 245 ? 42.047 37.881 179.453 1.00 24.41 ? ? ? ? ? ? 244 GLU B C 1 +ATOM 3872 O O . GLU B 1 245 ? 43.182 37.683 179.053 1.00 26.48 ? ? ? ? ? ? 244 GLU B O 1 +ATOM 3873 C CB . GLU B 1 245 ? 41.462 39.813 180.826 1.00 26.05 ? ? ? ? ? ? 244 GLU B CB 1 +ATOM 3874 C CG . GLU B 1 245 ? 41.430 41.312 180.867 1.00 30.35 ? ? ? ? ? ? 244 GLU B CG 1 +ATOM 3875 C CD . GLU B 1 245 ? 40.829 41.869 182.149 1.00 31.98 ? ? ? ? ? ? 244 GLU B CD 1 +ATOM 3876 O OE1 . GLU B 1 245 ? 40.495 41.084 183.067 1.00 35.38 ? ? ? ? ? ? 244 GLU B OE1 1 +ATOM 3877 O OE2 . GLU B 1 245 ? 40.681 43.112 182.228 1.00 36.90 ? ? ? ? ? ? 244 GLU B OE2 1 +ATOM 3878 N N . GLU B 1 246 ? 41.264 36.909 179.909 1.00 24.93 ? ? ? ? ? ? 245 GLU B N 1 +ATOM 3879 C CA . GLU B 1 246 ? 41.708 35.517 179.968 1.00 25.27 ? ? ? ? ? ? 245 GLU B CA 1 +ATOM 3880 C C . GLU B 1 246 ? 41.915 34.855 178.599 1.00 26.36 ? ? ? ? ? ? 245 GLU B C 1 +ATOM 3881 O O . GLU B 1 246 ? 42.869 34.085 178.427 1.00 26.99 ? ? ? ? ? ? 245 GLU B O 1 +ATOM 3882 C CB . GLU B 1 246 ? 40.710 34.701 180.792 1.00 25.54 ? ? ? ? ? ? 245 GLU B CB 1 +ATOM 3883 C CG . GLU B 1 246 ? 40.661 35.115 182.256 1.00 28.79 ? ? ? ? ? ? 245 GLU B CG 1 +ATOM 3884 C CD . GLU B 1 246 ? 39.397 34.658 182.960 1.00 29.58 ? ? ? ? ? ? 245 GLU B CD 1 +ATOM 3885 O OE1 . GLU B 1 246 ? 38.480 34.167 182.273 1.00 31.56 ? ? ? ? ? ? 245 GLU B OE1 1 +ATOM 3886 O OE2 . GLU B 1 246 ? 39.327 34.795 184.201 1.00 35.17 ? ? ? ? ? ? 245 GLU B OE2 1 +ATOM 3887 N N . MSE B 1 247 ? 41.011 35.106 177.638 1.00 26.14 ? ? ? ? ? ? 246 MSE B N 1 +ATOM 3888 C CA . MSE B 1 247 ? 41.228 34.654 176.258 1.00 26.20 ? ? ? ? ? ? 246 MSE B CA 1 +ATOM 3889 C C . MSE B 1 247 ? 42.519 35.243 175.679 1.00 28.46 ? ? ? ? ? ? 246 MSE B C 1 +ATOM 3890 O O . MSE B 1 247 ? 43.220 34.597 174.904 1.00 29.07 ? ? ? ? ? ? 246 MSE B O 1 +ATOM 3891 C CB . MSE B 1 247 ? 40.065 35.052 175.359 1.00 26.52 ? ? ? ? ? ? 246 MSE B CB 1 +ATOM 3892 C CG . MSE B 1 247 ? 38.803 34.318 175.650 1.00 27.92 ? ? ? ? ? ? 246 MSE B CG 1 +ATOM 3893 SE SE . MSE B 1 247 ? 37.304 34.879 174.554 0.75 30.31 ? ? ? ? ? ? 246 MSE B SE 1 +ATOM 3894 C CE . MSE B 1 247 ? 37.824 34.030 172.773 1.00 24.48 ? ? ? ? ? ? 246 MSE B CE 1 +ATOM 3895 N N . ALA B 1 248 ? 42.818 36.485 176.044 1.00 29.96 ? ? ? ? ? ? 247 ALA B N 1 +ATOM 3896 C CA . ALA B 1 248 ? 44.011 37.165 175.579 1.00 30.66 ? ? ? ? ? ? 247 ALA B CA 1 +ATOM 3897 C C . ALA B 1 248 ? 45.280 36.572 176.186 1.00 30.93 ? ? ? ? ? ? 247 ALA B C 1 +ATOM 3898 O O . ALA B 1 248 ? 46.305 36.466 175.496 1.00 31.93 ? ? ? ? ? ? 247 ALA B O 1 +ATOM 3899 C CB . ALA B 1 248 ? 43.921 38.670 175.898 1.00 30.82 ? ? ? ? ? ? 247 ALA B CB 1 +ATOM 3900 N N . GLN B 1 249 ? 45.225 36.184 177.458 1.00 30.40 ? ? ? ? ? ? 248 GLN B N 1 +ATOM 3901 C CA . GLN B 1 249 ? 46.441 35.853 178.191 1.00 33.39 ? ? ? ? ? ? 248 GLN B CA 1 +ATOM 3902 C C . GLN B 1 249 ? 46.690 34.362 178.366 1.00 33.77 ? ? ? ? ? ? 248 GLN B C 1 +ATOM 3903 O O . GLN B 1 249 ? 47.793 33.960 178.739 1.00 34.47 ? ? ? ? ? ? 248 GLN B O 1 +ATOM 3904 C CB . GLN B 1 249 ? 46.404 36.536 179.550 1.00 33.04 ? ? ? ? ? ? 248 GLN B CB 1 +ATOM 3905 C CG . GLN B 1 249 ? 46.356 38.053 179.415 1.00 38.12 ? ? ? ? ? ? 248 GLN B CG 1 +ATOM 3906 C CD . GLN B 1 249 ? 46.075 38.762 180.722 1.00 40.47 ? ? ? ? ? ? 248 GLN B CD 1 +ATOM 3907 O OE1 . GLN B 1 249 ? 45.445 38.211 181.637 1.00 43.88 ? ? ? ? ? ? 248 GLN B OE1 1 +ATOM 3908 N NE2 . GLN B 1 249 ? 46.533 40.004 180.814 1.00 42.99 ? ? ? ? ? ? 248 GLN B NE2 1 +ATOM 3909 N N . HIS B 1 250 ? 45.672 33.542 178.106 1.00 33.32 ? ? ? ? ? ? 249 HIS B N 1 +ATOM 3910 C CA . HIS B 1 250 ? 45.805 32.105 178.241 1.00 33.18 ? ? ? ? ? ? 249 HIS B CA 1 +ATOM 3911 C C . HIS B 1 250 ? 45.452 31.355 176.953 1.00 32.58 ? ? ? ? ? ? 249 HIS B C 1 +ATOM 3912 O O . HIS B 1 250 ? 44.571 31.750 176.188 1.00 33.17 ? ? ? ? ? ? 249 HIS B O 1 +ATOM 3913 C CB . HIS B 1 250 ? 44.921 31.585 179.381 1.00 32.20 ? ? ? ? ? ? 249 HIS B CB 1 +ATOM 3914 C CG . HIS B 1 250 ? 45.291 32.119 180.719 1.00 36.11 ? ? ? ? ? ? 249 HIS B CG 1 +ATOM 3915 N ND1 . HIS B 1 250 ? 46.254 31.533 181.515 1.00 39.98 ? ? ? ? ? ? 249 HIS B ND1 1 +ATOM 3916 C CD2 . HIS B 1 250 ? 44.820 33.182 181.414 1.00 38.01 ? ? ? ? ? ? 249 HIS B CD2 1 +ATOM 3917 C CE1 . HIS B 1 250 ? 46.363 32.214 182.641 1.00 43.23 ? ? ? ? ? ? 249 HIS B CE1 1 +ATOM 3918 N NE2 . HIS B 1 250 ? 45.498 33.215 182.608 1.00 41.64 ? ? ? ? ? ? 249 HIS B NE2 1 +ATOM 3919 N N . ASP B 1 251 ? 46.151 30.246 176.752 1.00 32.45 ? ? ? ? ? ? 250 ASP B N 1 +ATOM 3920 C CA . ASP B 1 251 ? 45.727 29.222 175.815 1.00 31.53 ? ? ? ? ? ? 250 ASP B CA 1 +ATOM 3921 C C . ASP B 1 251 ? 44.530 28.491 176.401 1.00 28.60 ? ? ? ? ? ? 250 ASP B C 1 +ATOM 3922 O O . ASP B 1 251 ? 44.316 28.489 177.631 1.00 27.86 ? ? ? ? ? ? 250 ASP B O 1 +ATOM 3923 C CB . ASP B 1 251 ? 46.849 28.222 175.580 1.00 34.67 ? ? ? ? ? ? 250 ASP B CB 1 +ATOM 3924 C CG . ASP B 1 251 ? 48.104 28.877 175.074 1.00 39.27 ? ? ? ? ? ? 250 ASP B CG 1 +ATOM 3925 O OD1 . ASP B 1 251 ? 48.066 29.531 174.000 1.00 46.07 ? ? ? ? ? ? 250 ASP B OD1 1 +ATOM 3926 O OD2 . ASP B 1 251 ? 49.128 28.719 175.752 1.00 51.20 ? ? ? ? ? ? 250 ASP B OD2 1 +ATOM 3927 N N . LEU B 1 252 ? 43.754 27.868 175.515 1.00 26.69 ? ? ? ? ? ? 251 LEU B N 1 +ATOM 3928 C CA . LEU B 1 252 ? 42.509 27.219 175.886 1.00 26.00 ? ? ? ? ? ? 251 LEU B CA 1 +ATOM 3929 C C . LEU B 1 252 ? 42.775 26.194 176.966 1.00 25.77 ? ? ? ? ? ? 251 LEU B C 1 +ATOM 3930 O O . LEU B 1 252 ? 42.007 26.068 177.916 1.00 24.09 ? ? ? ? ? ? 251 LEU B O 1 +ATOM 3931 C CB . LEU B 1 252 ? 41.862 26.580 174.650 1.00 25.44 ? ? ? ? ? ? 251 LEU B CB 1 +ATOM 3932 C CG . LEU B 1 252 ? 40.454 26.028 174.843 1.00 25.14 ? ? ? ? ? ? 251 LEU B CG 1 +ATOM 3933 C CD1 . LEU B 1 252 ? 39.568 27.157 175.274 1.00 22.42 ? ? ? ? ? ? 251 LEU B CD1 1 +ATOM 3934 C CD2 . LEU B 1 252 ? 39.979 25.367 173.551 1.00 24.31 ? ? ? ? ? ? 251 LEU B CD2 1 +ATOM 3935 N N . TYR B 1 253 ? 43.875 25.468 176.790 1.00 27.16 ? ? ? ? ? ? 252 TYR B N 1 +ATOM 3936 C CA . TYR B 1 253 ? 44.348 24.478 177.738 1.00 28.54 ? ? ? ? ? ? 252 TYR B CA 1 +ATOM 3937 C C . TYR B 1 253 ? 45.836 24.760 178.012 1.00 31.77 ? ? ? ? ? ? 252 TYR B C 1 +ATOM 3938 O O . TYR B 1 253 ? 46.574 25.190 177.116 1.00 31.99 ? ? ? ? ? ? 252 TYR B O 1 +ATOM 3939 C CB . TYR B 1 253 ? 44.183 23.073 177.172 1.00 28.58 ? ? ? ? ? ? 252 TYR B CB 1 +ATOM 3940 C CG . TYR B 1 253 ? 42.754 22.582 177.030 1.00 27.27 ? ? ? ? ? ? 252 TYR B CG 1 +ATOM 3941 C CD1 . TYR B 1 253 ? 42.120 21.880 178.064 1.00 23.89 ? ? ? ? ? ? 252 TYR B CD1 1 +ATOM 3942 C CD2 . TYR B 1 253 ? 42.053 22.779 175.842 1.00 26.56 ? ? ? ? ? ? 252 TYR B CD2 1 +ATOM 3943 C CE1 . TYR B 1 253 ? 40.837 21.423 177.923 1.00 25.00 ? ? ? ? ? ? 252 TYR B CE1 1 +ATOM 3944 C CE2 . TYR B 1 253 ? 40.761 22.327 175.701 1.00 21.69 ? ? ? ? ? ? 252 TYR B CE2 1 +ATOM 3945 C CZ . TYR B 1 253 ? 40.166 21.650 176.726 1.00 23.40 ? ? ? ? ? ? 252 TYR B CZ 1 +ATOM 3946 O OH . TYR B 1 253 ? 38.880 21.226 176.553 1.00 27.17 ? ? ? ? ? ? 252 TYR B OH 1 +ATOM 3947 N N . GLU B 1 254 ? 46.278 24.532 179.242 1.00 37.00 ? ? ? ? ? ? 253 GLU B N 1 +ATOM 3948 C CA . GLU B 1 254 ? 47.690 24.750 179.585 1.00 44.45 ? ? ? ? ? ? 253 GLU B CA 1 +ATOM 3949 C C . GLU B 1 254 ? 48.292 23.595 180.391 1.00 44.58 ? ? ? ? ? ? 253 GLU B C 1 +ATOM 3950 O O . GLU B 1 254 ? 47.597 22.801 181.014 1.00 46.14 ? ? ? ? ? ? 253 GLU B O 1 +ATOM 3951 C CB . GLU B 1 254 ? 47.871 26.101 180.312 1.00 46.48 ? ? ? ? ? ? 253 GLU B CB 1 +ATOM 3952 C CG . GLU B 1 254 ? 47.920 27.322 179.341 1.00 48.47 ? ? ? ? ? ? 253 GLU B CG 1 +ATOM 3953 C CD . GLU B 1 254 ? 47.801 28.675 180.052 1.00 46.36 ? ? ? ? ? ? 253 GLU B CD 1 +ATOM 3954 O OE1 . GLU B 1 254 ? 47.395 28.704 181.243 1.00 41.04 ? ? ? ? ? ? 253 GLU B OE1 1 +ATOM 3955 O OE2 . GLU B 1 254 ? 48.117 29.702 179.405 1.00 43.02 ? ? ? ? ? ? 253 GLU B OE2 1 +ATOM 3956 O OXT . GLU B 1 254 ? 49.518 23.421 180.414 1.00 49.17 ? ? ? ? ? ? 253 GLU B OXT 1 +ATOM 3957 N N . MSE C 1 2 ? 11.174 -8.080 170.827 1.00 39.22 ? ? ? ? ? ? 1 MSE C N 1 +ATOM 3958 C CA . MSE C 1 2 ? 10.998 -7.684 169.396 1.00 39.78 ? ? ? ? ? ? 1 MSE C CA 1 +ATOM 3959 C C . MSE C 1 2 ? 9.587 -7.181 169.159 1.00 37.34 ? ? ? ? ? ? 1 MSE C C 1 +ATOM 3960 O O . MSE C 1 2 ? 8.636 -7.899 169.436 1.00 37.75 ? ? ? ? ? ? 1 MSE C O 1 +ATOM 3961 C CB . MSE C 1 2 ? 11.255 -8.854 168.465 1.00 38.56 ? ? ? ? ? ? 1 MSE C CB 1 +ATOM 3962 C CG . MSE C 1 2 ? 10.985 -8.522 166.973 1.00 42.32 ? ? ? ? ? ? 1 MSE C CG 1 +ATOM 3963 SE SE . MSE C 1 2 ? 11.462 -9.969 165.736 0.75 40.23 ? ? ? ? ? ? 1 MSE C SE 1 +ATOM 3964 C CE . MSE C 1 2 ? 13.376 -10.207 166.464 1.00 43.40 ? ? ? ? ? ? 1 MSE C CE 1 +ATOM 3965 N N . ASN C 1 3 ? 9.459 -5.971 168.621 1.00 33.42 ? ? ? ? ? ? 2 ASN C N 1 +ATOM 3966 C CA . ASN C 1 3 ? 8.169 -5.365 168.405 1.00 30.83 ? ? ? ? ? ? 2 ASN C CA 1 +ATOM 3967 C C . ASN C 1 3 ? 8.040 -4.714 167.033 1.00 29.78 ? ? ? ? ? ? 2 ASN C C 1 +ATOM 3968 O O . ASN C 1 3 ? 8.388 -3.547 166.828 1.00 27.48 ? ? ? ? ? ? 2 ASN C O 1 +ATOM 3969 C CB . ASN C 1 3 ? 7.903 -4.365 169.518 1.00 31.32 ? ? ? ? ? ? 2 ASN C CB 1 +ATOM 3970 C CG . ASN C 1 3 ? 6.432 -4.013 169.658 1.00 30.37 ? ? ? ? ? ? 2 ASN C CG 1 +ATOM 3971 O OD1 . ASN C 1 3 ? 5.656 -4.077 168.691 1.00 29.18 ? ? ? ? ? ? 2 ASN C OD1 1 +ATOM 3972 N ND2 . ASN C 1 3 ? 6.044 -3.597 170.873 1.00 27.97 ? ? ? ? ? ? 2 ASN C ND2 1 +ATOM 3973 N N . LYS C 1 4 ? 7.487 -5.478 166.100 1.00 28.82 ? ? ? ? ? ? 3 LYS C N 1 +ATOM 3974 C CA . LYS C 1 4 ? 7.342 -5.036 164.717 1.00 30.05 ? ? ? ? ? ? 3 LYS C CA 1 +ATOM 3975 C C . LYS C 1 4 ? 6.277 -3.961 164.550 1.00 28.70 ? ? ? ? ? ? 3 LYS C C 1 +ATOM 3976 O O . LYS C 1 4 ? 6.202 -3.273 163.507 1.00 27.80 ? ? ? ? ? ? 3 LYS C O 1 +ATOM 3977 C CB . LYS C 1 4 ? 7.014 -6.231 163.828 1.00 31.74 ? ? ? ? ? ? 3 LYS C CB 1 +ATOM 3978 C CG . LYS C 1 4 ? 8.136 -7.269 163.708 1.00 32.54 ? ? ? ? ? ? 3 LYS C CG 1 +ATOM 3979 C CD . LYS C 1 4 ? 7.906 -8.073 162.413 1.00 32.64 ? ? ? ? ? ? 3 LYS C CD 1 +ATOM 3980 C CE . LYS C 1 4 ? 8.869 -9.239 162.247 1.00 35.82 ? ? ? ? ? ? 3 LYS C CE 1 +ATOM 3981 N NZ . LYS C 1 4 ? 8.604 -9.968 160.949 1.00 31.60 ? ? ? ? ? ? 3 LYS C NZ 1 +ATOM 3982 N N . GLU C 1 5 ? 5.463 -3.787 165.576 1.00 27.41 ? ? ? ? ? ? 4 GLU C N 1 +ATOM 3983 C CA . GLU C 1 5 ? 4.442 -2.757 165.523 1.00 27.73 ? ? ? ? ? ? 4 GLU C CA 1 +ATOM 3984 C C . GLU C 1 5 ? 5.033 -1.325 165.642 1.00 23.73 ? ? ? ? ? ? 4 GLU C C 1 +ATOM 3985 O O . GLU C 1 5 ? 4.600 -0.414 164.953 1.00 24.35 ? ? ? ? ? ? 4 GLU C O 1 +ATOM 3986 C CB . GLU C 1 5 ? 3.381 -3.024 166.605 1.00 25.21 ? ? ? ? ? ? 4 GLU C CB 1 +ATOM 3987 C CG . GLU C 1 5 ? 2.090 -2.297 166.346 1.00 31.00 ? ? ? ? ? ? 4 GLU C CG 1 +ATOM 3988 C CD . GLU C 1 5 ? 0.964 -2.673 167.325 1.00 33.36 ? ? ? ? ? ? 4 GLU C CD 1 +ATOM 3989 O OE1 . GLU C 1 5 ? 1.130 -3.609 168.163 1.00 36.36 ? ? ? ? ? ? 4 GLU C OE1 1 +ATOM 3990 O OE2 . GLU C 1 5 ? -0.080 -1.989 167.252 1.00 31.50 ? ? ? ? ? ? 4 GLU C OE2 1 +ATOM 3991 N N . VAL C 1 6 ? 6.030 -1.149 166.495 1.00 21.59 ? ? ? ? ? ? 5 VAL C N 1 +ATOM 3992 C CA . VAL C 1 6 ? 6.572 0.175 166.801 1.00 20.98 ? ? ? ? ? ? 5 VAL C CA 1 +ATOM 3993 C C . VAL C 1 6 ? 8.095 0.351 166.574 1.00 20.39 ? ? ? ? ? ? 5 VAL C C 1 +ATOM 3994 O O . VAL C 1 6 ? 8.633 1.428 166.815 1.00 20.16 ? ? ? ? ? ? 5 VAL C O 1 +ATOM 3995 C CB . VAL C 1 6 ? 6.215 0.546 168.256 1.00 23.01 ? ? ? ? ? ? 5 VAL C CB 1 +ATOM 3996 C CG1 . VAL C 1 6 ? 4.706 0.445 168.464 1.00 18.46 ? ? ? ? ? ? 5 VAL C CG1 1 +ATOM 3997 C CG2 . VAL C 1 6 ? 6.967 -0.379 169.261 1.00 16.63 ? ? ? ? ? ? 5 VAL C CG2 1 +ATOM 3998 N N . ASP C 1 7 ? 8.777 -0.685 166.116 1.00 19.50 ? ? ? ? ? ? 6 ASP C N 1 +ATOM 3999 C CA . ASP C 1 7 ? 10.225 -0.645 165.931 1.00 19.50 ? ? ? ? ? ? 6 ASP C CA 1 +ATOM 4000 C C . ASP C 1 7 ? 10.491 -0.980 164.466 1.00 19.91 ? ? ? ? ? ? 6 ASP C C 1 +ATOM 4001 O O . ASP C 1 7 ? 10.378 -2.138 164.093 1.00 20.20 ? ? ? ? ? ? 6 ASP C O 1 +ATOM 4002 C CB . ASP C 1 7 ? 10.927 -1.631 166.909 1.00 17.64 ? ? ? ? ? ? 6 ASP C CB 1 +ATOM 4003 C CG . ASP C 1 7 ? 12.440 -1.542 166.887 1.00 22.46 ? ? ? ? ? ? 6 ASP C CG 1 +ATOM 4004 O OD1 . ASP C 1 7 ? 13.031 -0.616 166.262 1.00 22.45 ? ? ? ? ? ? 6 ASP C OD1 1 +ATOM 4005 O OD2 . ASP C 1 7 ? 13.058 -2.424 167.522 1.00 26.32 ? ? ? ? ? ? 6 ASP C OD2 1 +ATOM 4006 N N . LEU C 1 8 ? 10.808 0.042 163.646 1.00 19.03 ? ? ? ? ? ? 7 LEU C N 1 +ATOM 4007 C CA . LEU C 1 8 ? 11.057 -0.148 162.204 1.00 19.84 ? ? ? ? ? ? 7 LEU C CA 1 +ATOM 4008 C C . LEU C 1 8 ? 12.295 -1.014 161.913 1.00 20.80 ? ? ? ? ? ? 7 LEU C C 1 +ATOM 4009 O O . LEU C 1 8 ? 12.340 -1.743 160.896 1.00 21.91 ? ? ? ? ? ? 7 LEU C O 1 +ATOM 4010 C CB . LEU C 1 8 ? 11.174 1.182 161.449 1.00 19.96 ? ? ? ? ? ? 7 LEU C CB 1 +ATOM 4011 C CG . LEU C 1 8 ? 10.883 1.076 159.952 1.00 19.60 ? ? ? ? ? ? 7 LEU C CG 1 +ATOM 4012 C CD1 . LEU C 1 8 ? 9.342 0.984 159.680 1.00 10.32 ? ? ? ? ? ? 7 LEU C CD1 1 +ATOM 4013 C CD2 . LEU C 1 8 ? 11.571 2.241 159.172 1.00 15.37 ? ? ? ? ? ? 7 LEU C CD2 1 +ATOM 4014 N N . SER C 1 9 ? 13.255 -0.981 162.821 1.00 20.70 ? ? ? ? ? ? 8 SER C N 1 +ATOM 4015 C CA . SER C 1 9 ? 14.451 -1.804 162.716 1.00 21.62 ? ? ? ? ? ? 8 SER C CA 1 +ATOM 4016 C C . SER C 1 9 ? 14.220 -3.322 162.600 1.00 22.46 ? ? ? ? ? ? 8 SER C C 1 +ATOM 4017 O O . SER C 1 9 ? 15.054 -4.024 162.057 1.00 22.99 ? ? ? ? ? ? 8 SER C O 1 +ATOM 4018 C CB . SER C 1 9 ? 15.391 -1.494 163.877 1.00 21.82 ? ? ? ? ? ? 8 SER C CB 1 +ATOM 4019 O OG . SER C 1 9 ? 15.814 -0.137 163.797 1.00 23.14 ? ? ? ? ? ? 8 SER C OG 1 +ATOM 4020 N N . VAL C 1 10 ? 13.079 -3.809 163.077 1.00 22.03 ? ? ? ? ? ? 9 VAL C N 1 +ATOM 4021 C CA . VAL C 1 10 ? 12.688 -5.198 162.920 1.00 22.72 ? ? ? ? ? ? 9 VAL C CA 1 +ATOM 4022 C C . VAL C 1 10 ? 11.359 -5.421 162.135 1.00 23.79 ? ? ? ? ? ? 9 VAL C C 1 +ATOM 4023 O O . VAL C 1 10 ? 10.992 -6.534 161.847 1.00 26.92 ? ? ? ? ? ? 9 VAL C O 1 +ATOM 4024 C CB . VAL C 1 10 ? 12.562 -5.891 164.305 1.00 22.80 ? ? ? ? ? ? 9 VAL C CB 1 +ATOM 4025 C CG1 . VAL C 1 10 ? 13.861 -5.899 164.990 1.00 17.13 ? ? ? ? ? ? 9 VAL C CG1 1 +ATOM 4026 C CG2 . VAL C 1 10 ? 11.480 -5.228 165.199 1.00 17.69 ? ? ? ? ? ? 9 VAL C CG2 1 +ATOM 4027 N N . SER C 1 11 ? 10.663 -4.358 161.791 1.00 22.50 ? ? ? ? ? ? 10 SER C N 1 +ATOM 4028 C CA . SER C 1 11 ? 9.346 -4.439 161.203 1.00 21.58 ? ? ? ? ? ? 10 SER C CA 1 +ATOM 4029 C C . SER C 1 11 ? 9.400 -4.711 159.676 1.00 22.78 ? ? ? ? ? ? 10 SER C C 1 +ATOM 4030 O O . SER C 1 11 ? 10.465 -4.739 159.065 1.00 22.05 ? ? ? ? ? ? 10 SER C O 1 +ATOM 4031 C CB . SER C 1 11 ? 8.610 -3.148 161.530 1.00 20.62 ? ? ? ? ? ? 10 SER C CB 1 +ATOM 4032 O OG . SER C 1 11 ? 7.271 -3.255 161.231 1.00 24.15 ? ? ? ? ? ? 10 SER C OG 1 +ATOM 4033 N N . CYS C 1 12 ? 8.240 -4.963 159.091 1.00 22.65 ? ? ? ? ? ? 11 CYS C N 1 +ATOM 4034 C CA . CYS C 1 12 ? 8.096 -5.234 157.661 1.00 23.17 ? ? ? ? ? ? 11 CYS C CA 1 +ATOM 4035 C C . CYS C 1 12 ? 6.779 -4.622 157.203 1.00 23.32 ? ? ? ? ? ? 11 CYS C C 1 +ATOM 4036 O O . CYS C 1 12 ? 5.875 -4.373 158.038 1.00 23.71 ? ? ? ? ? ? 11 CYS C O 1 +ATOM 4037 C CB . CYS C 1 12 ? 8.110 -6.740 157.400 1.00 21.12 ? ? ? ? ? ? 11 CYS C CB 1 +ATOM 4038 S SG . CYS C 1 12 ? 6.836 -7.652 158.324 1.00 26.53 ? ? ? ? ? ? 11 CYS C SG 1 +ATOM 4039 N N . LEU C 1 13 ? 6.646 -4.394 155.898 1.00 23.22 ? ? ? ? ? ? 12 LEU C N 1 +ATOM 4040 C CA . LEU C 1 13 ? 5.460 -3.708 155.373 1.00 23.73 ? ? ? ? ? ? 12 LEU C CA 1 +ATOM 4041 C C . LEU C 1 13 ? 4.165 -4.384 155.763 1.00 25.22 ? ? ? ? ? ? 12 LEU C C 1 +ATOM 4042 O O . LEU C 1 13 ? 3.182 -3.723 156.062 1.00 25.42 ? ? ? ? ? ? 12 LEU C O 1 +ATOM 4043 C CB . LEU C 1 13 ? 5.523 -3.558 153.849 1.00 23.89 ? ? ? ? ? ? 12 LEU C CB 1 +ATOM 4044 C CG . LEU C 1 13 ? 4.390 -2.828 153.139 1.00 22.94 ? ? ? ? ? ? 12 LEU C CG 1 +ATOM 4045 C CD1 . LEU C 1 13 ? 4.368 -1.299 153.509 1.00 23.85 ? ? ? ? ? ? 12 LEU C CD1 1 +ATOM 4046 C CD2 . LEU C 1 13 ? 4.520 -3.012 151.640 1.00 21.92 ? ? ? ? ? ? 12 LEU C CD2 1 +ATOM 4047 N N . GLY C 1 14 ? 4.161 -5.706 155.730 1.00 26.07 ? ? ? ? ? ? 13 GLY C N 1 +ATOM 4048 C CA . GLY C 1 14 ? 2.976 -6.457 156.103 1.00 26.92 ? ? ? ? ? ? 13 GLY C CA 1 +ATOM 4049 C C . GLY C 1 14 ? 2.411 -6.098 157.463 1.00 28.18 ? ? ? ? ? ? 13 GLY C C 1 +ATOM 4050 O O . GLY C 1 14 ? 1.202 -5.956 157.602 1.00 28.43 ? ? ? ? ? ? 13 GLY C O 1 +ATOM 4051 N N . LYS C 1 15 ? 3.287 -5.931 158.453 1.00 28.82 ? ? ? ? ? ? 14 LYS C N 1 +ATOM 4052 C CA . LYS C 1 15 ? 2.869 -5.644 159.824 1.00 30.09 ? ? ? ? ? ? 14 LYS C CA 1 +ATOM 4053 C C . LYS C 1 15 ? 2.325 -4.215 159.981 1.00 30.93 ? ? ? ? ? ? 14 LYS C C 1 +ATOM 4054 O O . LYS C 1 15 ? 1.410 -3.978 160.775 1.00 34.96 ? ? ? ? ? ? 14 LYS C O 1 +ATOM 4055 C CB . LYS C 1 15 ? 4.015 -5.939 160.823 1.00 28.54 ? ? ? ? ? ? 14 LYS C CB 1 +ATOM 4056 N N . VAL C 1 16 ? 2.829 -3.270 159.187 1.00 29.53 ? ? ? ? ? ? 15 VAL C N 1 +ATOM 4057 C CA . VAL C 1 16 ? 2.529 -1.857 159.417 1.00 28.17 ? ? ? ? ? ? 15 VAL C CA 1 +ATOM 4058 C C . VAL C 1 16 ? 1.486 -1.295 158.459 1.00 29.25 ? ? ? ? ? ? 15 VAL C C 1 +ATOM 4059 O O . VAL C 1 16 ? 0.824 -0.297 158.778 1.00 26.88 ? ? ? ? ? ? 15 VAL C O 1 +ATOM 4060 C CB . VAL C 1 16 ? 3.803 -0.961 159.364 1.00 27.51 ? ? ? ? ? ? 15 VAL C CB 1 +ATOM 4061 C CG1 . VAL C 1 16 ? 4.867 -1.514 160.235 1.00 26.91 ? ? ? ? ? ? 15 VAL C CG1 1 +ATOM 4062 C CG2 . VAL C 1 16 ? 4.305 -0.745 157.913 1.00 25.17 ? ? ? ? ? ? 15 VAL C CG2 1 +ATOM 4063 N N . LYS C 1 17 ? 1.320 -1.918 157.297 1.00 30.66 ? ? ? ? ? ? 16 LYS C N 1 +ATOM 4064 C CA . LYS C 1 17 ? 0.567 -1.264 156.235 1.00 34.60 ? ? ? ? ? ? 16 LYS C CA 1 +ATOM 4065 C C . LYS C 1 17 ? -0.903 -0.986 156.549 1.00 34.94 ? ? ? ? ? ? 16 LYS C C 1 +ATOM 4066 O O . LYS C 1 17 ? -1.446 -0.004 156.038 1.00 35.14 ? ? ? ? ? ? 16 LYS C O 1 +ATOM 4067 C CB . LYS C 1 17 ? 0.729 -1.973 154.879 1.00 34.78 ? ? ? ? ? ? 16 LYS C CB 1 +ATOM 4068 C CG . LYS C 1 17 ? -0.047 -3.243 154.654 1.00 35.11 ? ? ? ? ? ? 16 LYS C CG 1 +ATOM 4069 C CD . LYS C 1 17 ? -0.193 -3.464 153.141 1.00 42.56 ? ? ? ? ? ? 16 LYS C CD 1 +ATOM 4070 C CE . LYS C 1 17 ? -0.991 -4.711 152.828 1.00 50.21 ? ? ? ? ? ? 16 LYS C CE 1 +ATOM 4071 N NZ . LYS C 1 17 ? -0.133 -5.896 153.058 1.00 56.68 ? ? ? ? ? ? 16 LYS C NZ 1 +ATOM 4072 N N . GLU C 1 18 ? -1.534 -1.811 157.383 1.00 35.82 ? ? ? ? ? ? 17 GLU C N 1 +ATOM 4073 C CA . GLU C 1 18 ? -2.939 -1.588 157.712 1.00 39.78 ? ? ? ? ? ? 17 GLU C CA 1 +ATOM 4074 C C . GLU C 1 18 ? -3.208 -0.862 159.056 1.00 38.69 ? ? ? ? ? ? 17 GLU C C 1 +ATOM 4075 O O . GLU C 1 18 ? -4.360 -0.758 159.479 1.00 39.41 ? ? ? ? ? ? 17 GLU C O 1 +ATOM 4076 C CB . GLU C 1 18 ? -3.707 -2.917 157.636 1.00 42.73 ? ? ? ? ? ? 17 GLU C CB 1 +ATOM 4077 C CG . GLU C 1 18 ? -3.997 -3.413 156.149 1.00 50.08 ? ? ? ? ? ? 17 GLU C CG 1 +ATOM 4078 C CD . GLU C 1 18 ? -4.584 -2.322 155.205 1.00 56.13 ? ? ? ? ? ? 17 GLU C CD 1 +ATOM 4079 O OE1 . GLU C 1 18 ? -5.440 -1.515 155.654 1.00 61.69 ? ? ? ? ? ? 17 GLU C OE1 1 +ATOM 4080 O OE2 . GLU C 1 18 ? -4.197 -2.278 154.006 1.00 60.22 ? ? ? ? ? ? 17 GLU C OE2 1 +ATOM 4081 N N . LEU C 1 19 ? -2.164 -0.346 159.701 1.00 35.41 ? ? ? ? ? ? 18 LEU C N 1 +ATOM 4082 C CA . LEU C 1 19 ? -2.295 0.333 161.003 1.00 33.00 ? ? ? ? ? ? 18 LEU C CA 1 +ATOM 4083 C C . LEU C 1 19 ? -2.121 1.843 160.877 1.00 31.71 ? ? ? ? ? ? 18 LEU C C 1 +ATOM 4084 O O . LEU C 1 19 ? -1.322 2.308 160.077 1.00 32.32 ? ? ? ? ? ? 18 LEU C O 1 +ATOM 4085 C CB . LEU C 1 19 ? -1.259 -0.213 162.013 1.00 31.98 ? ? ? ? ? ? 18 LEU C CB 1 +ATOM 4086 C CG . LEU C 1 19 ? -1.174 -1.742 162.196 1.00 31.01 ? ? ? ? ? ? 18 LEU C CG 1 +ATOM 4087 C CD1 . LEU C 1 19 ? 0.061 -2.150 163.056 1.00 24.54 ? ? ? ? ? ? 18 LEU C CD1 1 +ATOM 4088 C CD2 . LEU C 1 19 ? -2.479 -2.284 162.788 1.00 29.22 ? ? ? ? ? ? 18 LEU C CD2 1 +ATOM 4089 N N . LYS C 1 20 ? -2.845 2.584 161.708 1.00 30.37 ? ? ? ? ? ? 19 LYS C N 1 +ATOM 4090 C CA . LYS C 1 20 ? -2.743 4.025 161.805 1.00 29.51 ? ? ? ? ? ? 19 LYS C CA 1 +ATOM 4091 C C . LYS C 1 20 ? -1.607 4.409 162.750 1.00 26.96 ? ? ? ? ? ? 19 LYS C C 1 +ATOM 4092 O O . LYS C 1 20 ? -1.530 3.942 163.873 1.00 23.88 ? ? ? ? ? ? 19 LYS C O 1 +ATOM 4093 C CB . LYS C 1 20 ? -4.052 4.598 162.347 1.00 30.24 ? ? ? ? ? ? 19 LYS C CB 1 +ATOM 4094 C CG . LYS C 1 20 ? -4.085 6.124 162.597 1.00 37.70 ? ? ? ? ? ? 19 LYS C CG 1 +ATOM 4095 C CD . LYS C 1 20 ? -4.122 6.889 161.293 1.00 45.62 ? ? ? ? ? ? 19 LYS C CD 1 +ATOM 4096 C CE . LYS C 1 20 ? -3.839 8.366 161.519 1.00 53.75 ? ? ? ? ? ? 19 LYS C CE 1 +ATOM 4097 N NZ . LYS C 1 20 ? -3.993 9.150 160.254 1.00 54.40 ? ? ? ? ? ? 19 LYS C NZ 1 +ATOM 4098 N N . TYR C 1 21 ? -0.724 5.283 162.280 1.00 25.47 ? ? ? ? ? ? 20 TYR C N 1 +ATOM 4099 C CA . TYR C 1 21 ? 0.369 5.793 163.118 1.00 24.47 ? ? ? ? ? ? 20 TYR C CA 1 +ATOM 4100 C C . TYR C 1 21 ? 0.152 7.288 163.363 1.00 23.91 ? ? ? ? ? ? 20 TYR C C 1 +ATOM 4101 O O . TYR C 1 21 ? -0.229 8.016 162.454 1.00 26.03 ? ? ? ? ? ? 20 TYR C O 1 +ATOM 4102 C CB . TYR C 1 21 ? 1.715 5.487 162.463 1.00 22.27 ? ? ? ? ? ? 20 TYR C CB 1 +ATOM 4103 C CG . TYR C 1 21 ? 2.070 4.034 162.548 1.00 22.65 ? ? ? ? ? ? 20 TYR C CG 1 +ATOM 4104 C CD1 . TYR C 1 21 ? 1.700 3.132 161.539 1.00 19.09 ? ? ? ? ? ? 20 TYR C CD1 1 +ATOM 4105 C CD2 . TYR C 1 21 ? 2.783 3.555 163.622 1.00 18.12 ? ? ? ? ? ? 20 TYR C CD2 1 +ATOM 4106 C CE1 . TYR C 1 21 ? 2.026 1.778 161.632 1.00 21.31 ? ? ? ? ? ? 20 TYR C CE1 1 +ATOM 4107 C CE2 . TYR C 1 21 ? 3.138 2.216 163.717 1.00 15.36 ? ? ? ? ? ? 20 TYR C CE2 1 +ATOM 4108 C CZ . TYR C 1 21 ? 2.747 1.334 162.718 1.00 18.74 ? ? ? ? ? ? 20 TYR C CZ 1 +ATOM 4109 O OH . TYR C 1 21 ? 3.069 0.018 162.844 1.00 19.47 ? ? ? ? ? ? 20 TYR C OH 1 +ATOM 4110 N N . ASP C 1 22 ? 0.342 7.708 164.603 1.00 24.45 ? ? ? ? ? ? 21 ASP C N 1 +ATOM 4111 C CA . ASP C 1 22 ? 0.009 9.042 165.044 1.00 25.96 ? ? ? ? ? ? 21 ASP C CA 1 +ATOM 4112 C C . ASP C 1 22 ? 1.254 9.933 165.144 1.00 25.94 ? ? ? ? ? ? 21 ASP C C 1 +ATOM 4113 O O . ASP C 1 22 ? 1.198 11.109 164.794 1.00 27.73 ? ? ? ? ? ? 21 ASP C O 1 +ATOM 4114 C CB . ASP C 1 22 ? -0.707 8.983 166.404 1.00 27.02 ? ? ? ? ? ? 21 ASP C CB 1 +ATOM 4115 C CG . ASP C 1 22 ? -2.009 8.162 166.363 1.00 32.82 ? ? ? ? ? ? 21 ASP C CG 1 +ATOM 4116 O OD1 . ASP C 1 22 ? -2.925 8.554 165.604 1.00 34.87 ? ? ? ? ? ? 21 ASP C OD1 1 +ATOM 4117 O OD2 . ASP C 1 22 ? -2.098 7.110 167.057 1.00 32.70 ? ? ? ? ? ? 21 ASP C OD2 1 +ATOM 4118 N N . VAL C 1 23 ? 2.355 9.380 165.642 1.00 24.35 ? ? ? ? ? ? 22 VAL C N 1 +ATOM 4119 C CA . VAL C 1 23 ? 3.602 10.115 165.819 1.00 22.92 ? ? ? ? ? ? 22 VAL C CA 1 +ATOM 4120 C C . VAL C 1 23 ? 4.776 9.267 165.363 1.00 21.28 ? ? ? ? ? ? 22 VAL C C 1 +ATOM 4121 O O . VAL C 1 23 ? 4.787 8.068 165.546 1.00 19.85 ? ? ? ? ? ? 22 VAL C O 1 +ATOM 4122 C CB . VAL C 1 23 ? 3.787 10.561 167.304 1.00 23.59 ? ? ? ? ? ? 22 VAL C CB 1 +ATOM 4123 C CG1 . VAL C 1 23 ? 4.985 11.522 167.484 1.00 20.31 ? ? ? ? ? ? 22 VAL C CG1 1 +ATOM 4124 C CG2 . VAL C 1 23 ? 2.487 11.205 167.865 1.00 22.89 ? ? ? ? ? ? 22 VAL C CG2 1 +ATOM 4125 N N . ILE C 1 24 ? 5.759 9.922 164.746 1.00 20.30 ? ? ? ? ? ? 23 ILE C N 1 +ATOM 4126 C CA . ILE C 1 24 ? 6.997 9.284 164.298 1.00 18.48 ? ? ? ? ? ? 23 ILE C CA 1 +ATOM 4127 C C . ILE C 1 24 ? 8.111 9.752 165.205 1.00 17.99 ? ? ? ? ? ? 23 ILE C C 1 +ATOM 4128 O O . ILE C 1 24 ? 8.204 10.930 165.514 1.00 18.45 ? ? ? ? ? ? 23 ILE C O 1 +ATOM 4129 C CB . ILE C 1 24 ? 7.342 9.630 162.840 1.00 19.57 ? ? ? ? ? ? 23 ILE C CB 1 +ATOM 4130 C CG1 . ILE C 1 24 ? 6.181 9.306 161.889 1.00 23.46 ? ? ? ? ? ? 23 ILE C CG1 1 +ATOM 4131 C CG2 . ILE C 1 24 ? 8.582 8.876 162.392 1.00 17.29 ? ? ? ? ? ? 23 ILE C CG2 1 +ATOM 4132 C CD1 . ILE C 1 24 ? 5.599 7.921 162.083 1.00 23.03 ? ? ? ? ? ? 23 ILE C CD1 1 +ATOM 4133 N N . ILE C 1 25 ? 8.919 8.797 165.655 1.00 17.95 ? ? ? ? ? ? 24 ILE C N 1 +ATOM 4134 C CA . ILE C 1 25 ? 10.052 9.024 166.556 1.00 19.34 ? ? ? ? ? ? 24 ILE C CA 1 +ATOM 4135 C C . ILE C 1 25 ? 11.326 8.663 165.802 1.00 16.72 ? ? ? ? ? ? 24 ILE C C 1 +ATOM 4136 O O . ILE C 1 25 ? 11.480 7.535 165.306 1.00 17.22 ? ? ? ? ? ? 24 ILE C O 1 +ATOM 4137 C CB . ILE C 1 25 ? 9.994 8.133 167.843 1.00 18.23 ? ? ? ? ? ? 24 ILE C CB 1 +ATOM 4138 C CG1 . ILE C 1 25 ? 8.545 7.950 168.378 1.00 17.88 ? ? ? ? ? ? 24 ILE C CG1 1 +ATOM 4139 C CG2 . ILE C 1 25 ? 11.009 8.626 168.888 1.00 9.55 ? ? ? ? ? ? 24 ILE C CG2 1 +ATOM 4140 C CD1 . ILE C 1 25 ? 7.852 9.180 168.783 1.00 20.09 ? ? ? ? ? ? 24 ILE C CD1 1 +ATOM 4141 N N . LEU C 1 26 ? 12.212 9.639 165.711 1.00 17.11 ? ? ? ? ? ? 25 LEU C N 1 +ATOM 4142 C CA . LEU C 1 26 ? 13.523 9.477 165.104 1.00 17.72 ? ? ? ? ? ? 25 LEU C CA 1 +ATOM 4143 C C . LEU C 1 26 ? 14.646 9.527 166.142 1.00 17.60 ? ? ? ? ? ? 25 LEU C C 1 +ATOM 4144 O O . LEU C 1 26 ? 15.015 10.609 166.617 1.00 18.65 ? ? ? ? ? ? 25 LEU C O 1 +ATOM 4145 C CB . LEU C 1 26 ? 13.734 10.568 164.051 1.00 18.90 ? ? ? ? ? ? 25 LEU C CB 1 +ATOM 4146 C CG . LEU C 1 26 ? 15.018 10.532 163.192 1.00 16.15 ? ? ? ? ? ? 25 LEU C CG 1 +ATOM 4147 C CD1 . LEU C 1 26 ? 15.094 9.222 162.365 1.00 9.40 ? ? ? ? ? ? 25 LEU C CD1 1 +ATOM 4148 C CD2 . LEU C 1 26 ? 15.032 11.806 162.318 1.00 15.52 ? ? ? ? ? ? 25 LEU C CD2 1 +ATOM 4149 N N . PRO C 1 27 ? 15.205 8.365 166.485 1.00 18.11 ? ? ? ? ? ? 26 PRO C N 1 +ATOM 4150 C CA . PRO C 1 27 ? 16.389 8.396 167.310 1.00 18.29 ? ? ? ? ? ? 26 PRO C CA 1 +ATOM 4151 C C . PRO C 1 27 ? 17.604 8.892 166.505 1.00 18.88 ? ? ? ? ? ? 26 PRO C C 1 +ATOM 4152 O O . PRO C 1 27 ? 17.821 8.479 165.356 1.00 18.50 ? ? ? ? ? ? 26 PRO C O 1 +ATOM 4153 C CB . PRO C 1 27 ? 16.569 6.937 167.744 1.00 17.54 ? ? ? ? ? ? 26 PRO C CB 1 +ATOM 4154 C CG . PRO C 1 27 ? 15.351 6.216 167.263 1.00 20.15 ? ? ? ? ? ? 26 PRO C CG 1 +ATOM 4155 C CD . PRO C 1 27 ? 14.835 6.990 166.123 1.00 18.39 ? ? ? ? ? ? 26 PRO C CD 1 +ATOM 4156 N N . TRP C 1 28 ? 18.367 9.804 167.089 1.00 18.81 ? ? ? ? ? ? 27 TRP C N 1 +ATOM 4157 C CA . TRP C 1 28 ? 19.521 10.357 166.417 1.00 17.25 ? ? ? ? ? ? 27 TRP C CA 1 +ATOM 4158 C C . TRP C 1 28 ? 20.711 10.279 167.359 1.00 16.71 ? ? ? ? ? ? 27 TRP C C 1 +ATOM 4159 O O . TRP C 1 28 ? 20.712 10.891 168.432 1.00 17.23 ? ? ? ? ? ? 27 TRP C O 1 +ATOM 4160 C CB . TRP C 1 28 ? 19.230 11.794 165.981 1.00 16.66 ? ? ? ? ? ? 27 TRP C CB 1 +ATOM 4161 C CG . TRP C 1 28 ? 20.147 12.281 164.862 1.00 17.14 ? ? ? ? ? ? 27 TRP C CG 1 +ATOM 4162 C CD1 . TRP C 1 28 ? 21.501 12.150 164.802 1.00 16.97 ? ? ? ? ? ? 27 TRP C CD1 1 +ATOM 4163 C CD2 . TRP C 1 28 ? 19.759 12.940 163.645 1.00 14.86 ? ? ? ? ? ? 27 TRP C CD2 1 +ATOM 4164 N NE1 . TRP C 1 28 ? 21.989 12.716 163.652 1.00 16.41 ? ? ? ? ? ? 27 TRP C NE1 1 +ATOM 4165 C CE2 . TRP C 1 28 ? 20.941 13.216 162.924 1.00 16.29 ? ? ? ? ? ? 27 TRP C CE2 1 +ATOM 4166 C CE3 . TRP C 1 28 ? 18.541 13.362 163.120 1.00 17.76 ? ? ? ? ? ? 27 TRP C CE3 1 +ATOM 4167 C CZ2 . TRP C 1 28 ? 20.933 13.879 161.692 1.00 18.37 ? ? ? ? ? ? 27 TRP C CZ2 1 +ATOM 4168 C CZ3 . TRP C 1 28 ? 18.530 14.011 161.874 1.00 15.93 ? ? ? ? ? ? 27 TRP C CZ3 1 +ATOM 4169 C CH2 . TRP C 1 28 ? 19.705 14.262 161.182 1.00 17.93 ? ? ? ? ? ? 27 TRP C CH2 1 +ATOM 4170 N N . GLY C 1 29 ? 21.717 9.515 166.965 1.00 16.05 ? ? ? ? ? ? 28 GLY C N 1 +ATOM 4171 C CA . GLY C 1 29 ? 22.831 9.248 167.808 1.00 16.63 ? ? ? ? ? ? 28 GLY C CA 1 +ATOM 4172 C C . GLY C 1 29 ? 24.137 9.787 167.208 1.00 16.99 ? ? ? ? ? ? 28 GLY C C 1 +ATOM 4173 O O . GLY C 1 29 ? 24.199 10.922 166.788 1.00 16.36 ? ? ? ? ? ? 28 GLY C O 1 +ATOM 4174 N N . ALA C 1 30 ? 25.164 8.947 167.230 1.00 17.32 ? ? ? ? ? ? 29 ALA C N 1 +ATOM 4175 C CA . ALA C 1 30 ? 26.523 9.298 166.879 1.00 17.14 ? ? ? ? ? ? 29 ALA C CA 1 +ATOM 4176 C C . ALA C 1 30 ? 27.289 7.988 166.814 1.00 17.70 ? ? ? ? ? ? 29 ALA C C 1 +ATOM 4177 O O . ALA C 1 30 ? 26.893 7.013 167.450 1.00 18.18 ? ? ? ? ? ? 29 ALA C O 1 +ATOM 4178 C CB . ALA C 1 30 ? 27.161 10.245 167.939 1.00 14.25 ? ? ? ? ? ? 29 ALA C CB 1 +ATOM 4179 N N . THR C 1 31 ? 28.361 7.984 166.027 1.00 18.68 ? ? ? ? ? ? 30 THR C N 1 +ATOM 4180 C CA . THR C 1 31 ? 29.350 6.933 166.013 1.00 18.62 ? ? ? ? ? ? 30 THR C CA 1 +ATOM 4181 C C . THR C 1 31 ? 30.587 7.507 166.729 1.00 19.92 ? ? ? ? ? ? 30 THR C C 1 +ATOM 4182 O O . THR C 1 31 ? 31.346 8.300 166.164 1.00 19.05 ? ? ? ? ? ? 30 THR C O 1 +ATOM 4183 C CB . THR C 1 31 ? 29.622 6.452 164.550 1.00 19.40 ? ? ? ? ? ? 30 THR C CB 1 +ATOM 4184 O OG1 . THR C 1 31 ? 28.398 6.014 163.950 1.00 20.42 ? ? ? ? ? ? 30 THR C OG1 1 +ATOM 4185 C CG2 . THR C 1 31 ? 30.554 5.324 164.510 1.00 15.55 ? ? ? ? ? ? 30 THR C CG2 1 +ATOM 4186 N N . GLU C 1 32 ? 30.770 7.099 167.987 1.00 20.12 ? ? ? ? ? ? 31 GLU C N 1 +ATOM 4187 C CA . GLU C 1 32 ? 31.639 7.814 168.907 1.00 20.42 ? ? ? ? ? ? 31 GLU C CA 1 +ATOM 4188 C C . GLU C 1 32 ? 32.220 6.895 169.979 1.00 20.95 ? ? ? ? ? ? 31 GLU C C 1 +ATOM 4189 O O . GLU C 1 32 ? 31.469 6.143 170.607 1.00 21.73 ? ? ? ? ? ? 31 GLU C O 1 +ATOM 4190 C CB . GLU C 1 32 ? 30.794 8.893 169.566 1.00 18.78 ? ? ? ? ? ? 31 GLU C CB 1 +ATOM 4191 C CG . GLU C 1 32 ? 31.525 9.852 170.441 1.00 21.78 ? ? ? ? ? ? 31 GLU C CG 1 +ATOM 4192 C CD . GLU C 1 32 ? 30.572 10.772 171.173 1.00 23.99 ? ? ? ? ? ? 31 GLU C CD 1 +ATOM 4193 O OE1 . GLU C 1 32 ? 29.440 10.325 171.394 1.00 22.12 ? ? ? ? ? ? 31 GLU C OE1 1 +ATOM 4194 O OE2 . GLU C 1 32 ? 30.957 11.887 171.561 1.00 23.75 ? ? ? ? ? ? 31 GLU C OE2 1 +ATOM 4195 N N . PRO C 1 33 ? 33.547 6.945 170.208 1.00 22.46 ? ? ? ? ? ? 32 PRO C N 1 +ATOM 4196 C CA . PRO C 1 33 ? 34.154 6.260 171.356 1.00 22.45 ? ? ? ? ? ? 32 PRO C CA 1 +ATOM 4197 C C . PRO C 1 33 ? 33.533 6.747 172.680 1.00 21.48 ? ? ? ? ? ? 32 PRO C C 1 +ATOM 4198 O O . PRO C 1 33 ? 33.347 7.947 172.854 1.00 20.31 ? ? ? ? ? ? 32 PRO C O 1 +ATOM 4199 C CB . PRO C 1 33 ? 35.624 6.687 171.278 1.00 22.67 ? ? ? ? ? ? 32 PRO C CB 1 +ATOM 4200 C CG . PRO C 1 33 ? 35.831 7.057 169.886 1.00 23.41 ? ? ? ? ? ? 32 PRO C CG 1 +ATOM 4201 C CD . PRO C 1 33 ? 34.563 7.638 169.407 1.00 21.27 ? ? ? ? ? ? 32 PRO C CD 1 +ATOM 4202 N N . HIS C 1 34 ? 33.193 5.797 173.547 1.00 20.39 ? ? ? ? ? ? 33 HIS C N 1 +ATOM 4203 C CA . HIS C 1 34 ? 32.578 6.036 174.845 1.00 19.90 ? ? ? ? ? ? 33 HIS C CA 1 +ATOM 4204 C C . HIS C 1 34 ? 33.436 5.398 175.959 1.00 20.34 ? ? ? ? ? ? 33 HIS C C 1 +ATOM 4205 O O . HIS C 1 34 ? 33.152 4.292 176.385 1.00 18.73 ? ? ? ? ? ? 33 HIS C O 1 +ATOM 4206 C CB . HIS C 1 34 ? 31.155 5.433 174.865 1.00 21.35 ? ? ? ? ? ? 33 HIS C CB 1 +ATOM 4207 C CG . HIS C 1 34 ? 30.091 6.360 174.344 1.00 18.54 ? ? ? ? ? ? 33 HIS C CG 1 +ATOM 4208 N ND1 . HIS C 1 34 ? 29.916 6.625 173.005 1.00 16.46 ? ? ? ? ? ? 33 HIS C ND1 1 +ATOM 4209 C CD2 . HIS C 1 34 ? 29.149 7.080 174.994 1.00 20.89 ? ? ? ? ? ? 33 HIS C CD2 1 +ATOM 4210 C CE1 . HIS C 1 34 ? 28.926 7.482 172.854 1.00 21.41 ? ? ? ? ? ? 33 HIS C CE1 1 +ATOM 4211 N NE2 . HIS C 1 34 ? 28.445 7.778 174.047 1.00 20.36 ? ? ? ? ? ? 33 HIS C NE2 1 +ATOM 4212 N N . ASN C 1 35 ? 34.483 6.090 176.406 1.00 21.49 ? ? ? ? ? ? 34 ASN C N 1 +ATOM 4213 C CA . ASN C 1 35 ? 35.463 5.523 177.337 1.00 22.11 ? ? ? ? ? ? 34 ASN C CA 1 +ATOM 4214 C C . ASN C 1 35 ? 35.907 4.234 176.653 1.00 23.33 ? ? ? ? ? ? 34 ASN C C 1 +ATOM 4215 O O . ASN C 1 35 ? 35.766 4.113 175.441 1.00 24.01 ? ? ? ? ? ? 34 ASN C O 1 +ATOM 4216 C CB . ASN C 1 35 ? 34.790 5.358 178.724 1.00 19.80 ? ? ? ? ? ? 34 ASN C CB 1 +ATOM 4217 C CG . ASN C 1 35 ? 35.768 5.093 179.903 1.00 22.56 ? ? ? ? ? ? 34 ASN C CG 1 +ATOM 4218 O OD1 . ASN C 1 35 ? 36.699 4.287 179.792 1.00 20.34 ? ? ? ? ? ? 34 ASN C OD1 1 +ATOM 4219 N ND2 . ASN C 1 35 ? 35.478 5.712 181.083 1.00 20.57 ? ? ? ? ? ? 34 ASN C ND2 1 +ATOM 4220 N N . LEU C 1 36 ? 36.419 3.267 177.404 1.00 23.96 ? ? ? ? ? ? 35 LEU C N 1 +ATOM 4221 C CA . LEU C 1 36 ? 36.969 2.042 176.845 1.00 23.01 ? ? ? ? ? ? 35 LEU C CA 1 +ATOM 4222 C C . LEU C 1 36 ? 35.932 0.938 176.746 1.00 22.19 ? ? ? ? ? ? 35 LEU C C 1 +ATOM 4223 O O . LEU C 1 36 ? 36.102 -0.027 176.017 1.00 24.32 ? ? ? ? ? ? 35 LEU C O 1 +ATOM 4224 C CB . LEU C 1 36 ? 38.137 1.566 177.724 1.00 22.57 ? ? ? ? ? ? 35 LEU C CB 1 +ATOM 4225 C CG . LEU C 1 36 ? 39.308 2.550 177.872 1.00 26.02 ? ? ? ? ? ? 35 LEU C CG 1 +ATOM 4226 C CD1 . LEU C 1 36 ? 40.330 2.010 178.882 1.00 21.75 ? ? ? ? ? ? 35 LEU C CD1 1 +ATOM 4227 C CD2 . LEU C 1 36 ? 39.971 2.871 176.499 1.00 20.84 ? ? ? ? ? ? 35 LEU C CD2 1 +ATOM 4228 N N . HIS C 1 37 ? 34.830 1.097 177.449 1.00 22.39 ? ? ? ? ? ? 36 HIS C N 1 +ATOM 4229 C CA . HIS C 1 37 ? 33.943 -0.020 177.736 1.00 21.96 ? ? ? ? ? ? 36 HIS C CA 1 +ATOM 4230 C C . HIS C 1 37 ? 32.596 0.034 177.046 1.00 22.28 ? ? ? ? ? ? 36 HIS C C 1 +ATOM 4231 O O . HIS C 1 37 ? 31.948 -0.994 176.922 1.00 22.90 ? ? ? ? ? ? 36 HIS C O 1 +ATOM 4232 C CB . HIS C 1 37 ? 33.711 -0.115 179.261 1.00 22.17 ? ? ? ? ? ? 36 HIS C CB 1 +ATOM 4233 C CG . HIS C 1 37 ? 33.012 1.075 179.841 1.00 19.38 ? ? ? ? ? ? 36 HIS C CG 1 +ATOM 4234 N ND1 . HIS C 1 37 ? 33.481 2.363 179.693 1.00 17.15 ? ? ? ? ? ? 36 HIS C ND1 1 +ATOM 4235 C CD2 . HIS C 1 37 ? 31.853 1.174 180.531 1.00 17.29 ? ? ? ? ? ? 36 HIS C CD2 1 +ATOM 4236 C CE1 . HIS C 1 37 ? 32.635 3.201 180.260 1.00 19.50 ? ? ? ? ? ? 36 HIS C CE1 1 +ATOM 4237 N NE2 . HIS C 1 37 ? 31.649 2.503 180.792 1.00 16.91 ? ? ? ? ? ? 36 HIS C NE2 1 +ATOM 4238 N N . LEU C 1 38 ? 32.141 1.211 176.639 1.00 21.13 ? ? ? ? ? ? 37 LEU C N 1 +ATOM 4239 C CA . LEU C 1 38 ? 30.805 1.320 176.058 1.00 20.42 ? ? ? ? ? ? 37 LEU C CA 1 +ATOM 4240 C C . LEU C 1 38 ? 30.874 1.229 174.523 1.00 20.15 ? ? ? ? ? ? 37 LEU C C 1 +ATOM 4241 O O . LEU C 1 38 ? 31.905 1.582 173.928 1.00 19.72 ? ? ? ? ? ? 37 LEU C O 1 +ATOM 4242 C CB . LEU C 1 38 ? 30.096 2.608 176.530 1.00 20.77 ? ? ? ? ? ? 37 LEU C CB 1 +ATOM 4243 C CG . LEU C 1 38 ? 29.500 2.665 177.938 1.00 18.95 ? ? ? ? ? ? 37 LEU C CG 1 +ATOM 4244 C CD1 . LEU C 1 38 ? 29.015 4.099 178.262 1.00 14.65 ? ? ? ? ? ? 37 LEU C CD1 1 +ATOM 4245 C CD2 . LEU C 1 38 ? 28.376 1.660 178.098 1.00 20.28 ? ? ? ? ? ? 37 LEU C CD2 1 +ATOM 4246 N N . PRO C 1 39 ? 29.788 0.727 173.876 1.00 20.88 ? ? ? ? ? ? 38 PRO C N 1 +ATOM 4247 C CA . PRO C 1 39 ? 29.732 0.693 172.401 1.00 21.10 ? ? ? ? ? ? 38 PRO C CA 1 +ATOM 4248 C C . PRO C 1 39 ? 29.875 2.044 171.671 1.00 19.77 ? ? ? ? ? ? 38 PRO C C 1 +ATOM 4249 O O . PRO C 1 39 ? 29.429 3.103 172.141 1.00 18.71 ? ? ? ? ? ? 38 PRO C O 1 +ATOM 4250 C CB . PRO C 1 39 ? 28.345 0.083 172.086 1.00 21.27 ? ? ? ? ? ? 38 PRO C CB 1 +ATOM 4251 C CG . PRO C 1 39 ? 27.885 -0.541 173.313 1.00 20.84 ? ? ? ? ? ? 38 PRO C CG 1 +ATOM 4252 C CD . PRO C 1 39 ? 28.588 0.123 174.475 1.00 21.19 ? ? ? ? ? ? 38 PRO C CD 1 +ATOM 4253 N N . TYR C 1 40 ? 30.474 1.970 170.493 1.00 19.38 ? ? ? ? ? ? 39 TYR C N 1 +ATOM 4254 C CA . TYR C 1 40 ? 30.513 3.091 169.565 1.00 18.76 ? ? ? ? ? ? 39 TYR C CA 1 +ATOM 4255 C C . TYR C 1 40 ? 29.106 3.624 169.217 1.00 18.07 ? ? ? ? ? ? 39 TYR C C 1 +ATOM 4256 O O . TYR C 1 40 ? 28.943 4.800 168.934 1.00 17.81 ? ? ? ? ? ? 39 TYR C O 1 +ATOM 4257 C CB . TYR C 1 40 ? 31.254 2.678 168.280 1.00 17.73 ? ? ? ? ? ? 39 TYR C CB 1 +ATOM 4258 C CG . TYR C 1 40 ? 32.747 2.816 168.328 1.00 17.68 ? ? ? ? ? ? 39 TYR C CG 1 +ATOM 4259 C CD1 . TYR C 1 40 ? 33.551 1.819 168.884 1.00 17.86 ? ? ? ? ? ? 39 TYR C CD1 1 +ATOM 4260 C CD2 . TYR C 1 40 ? 33.360 3.926 167.781 1.00 17.96 ? ? ? ? ? ? 39 TYR C CD2 1 +ATOM 4261 C CE1 . TYR C 1 40 ? 34.961 1.943 168.897 1.00 19.53 ? ? ? ? ? ? 39 TYR C CE1 1 +ATOM 4262 C CE2 . TYR C 1 40 ? 34.736 4.072 167.783 1.00 20.76 ? ? ? ? ? ? 39 TYR C CE2 1 +ATOM 4263 C CZ . TYR C 1 40 ? 35.551 3.076 168.332 1.00 22.63 ? ? ? ? ? ? 39 TYR C CZ 1 +ATOM 4264 O OH . TYR C 1 40 ? 36.923 3.263 168.319 1.00 19.37 ? ? ? ? ? ? 39 TYR C OH 1 +ATOM 4265 N N . LEU C 1 41 ? 28.103 2.749 169.216 1.00 18.13 ? ? ? ? ? ? 40 LEU C N 1 +ATOM 4266 C CA . LEU C 1 41 ? 26.743 3.159 168.864 1.00 17.27 ? ? ? ? ? ? 40 LEU C CA 1 +ATOM 4267 C C . LEU C 1 41 ? 25.822 3.437 170.077 1.00 17.86 ? ? ? ? ? ? 40 LEU C C 1 +ATOM 4268 O O . LEU C 1 41 ? 24.604 3.502 169.923 1.00 18.37 ? ? ? ? ? ? 40 LEU C O 1 +ATOM 4269 C CB . LEU C 1 41 ? 26.122 2.132 167.925 1.00 15.69 ? ? ? ? ? ? 40 LEU C CB 1 +ATOM 4270 C CG . LEU C 1 41 ? 26.688 2.013 166.522 1.00 19.82 ? ? ? ? ? ? 40 LEU C CG 1 +ATOM 4271 C CD1 . LEU C 1 41 ? 25.869 1.027 165.682 1.00 17.50 ? ? ? ? ? ? 40 LEU C CD1 1 +ATOM 4272 C CD2 . LEU C 1 41 ? 26.726 3.409 165.864 1.00 20.09 ? ? ? ? ? ? 40 LEU C CD2 1 +ATOM 4273 N N . THR C 1 42 ? 26.408 3.647 171.258 1.00 18.88 ? ? ? ? ? ? 41 THR C N 1 +ATOM 4274 C CA . THR C 1 42 ? 25.664 3.975 172.480 1.00 18.29 ? ? ? ? ? ? 41 THR C CA 1 +ATOM 4275 C C . THR C 1 42 ? 24.588 5.024 172.269 1.00 18.81 ? ? ? ? ? ? 41 THR C C 1 +ATOM 4276 O O . THR C 1 42 ? 23.458 4.867 172.759 1.00 17.69 ? ? ? ? ? ? 41 THR C O 1 +ATOM 4277 C CB . THR C 1 42 ? 26.603 4.481 173.624 1.00 18.11 ? ? ? ? ? ? 41 THR C CB 1 +ATOM 4278 O OG1 . THR C 1 42 ? 27.410 3.397 174.076 1.00 16.17 ? ? ? ? ? ? 41 THR C OG1 1 +ATOM 4279 C CG2 . THR C 1 42 ? 25.787 4.996 174.804 1.00 13.91 ? ? ? ? ? ? 41 THR C CG2 1 +ATOM 4280 N N . ASP C 1 43 ? 24.939 6.091 171.554 1.00 18.75 ? ? ? ? ? ? 42 ASP C N 1 +ATOM 4281 C CA . ASP C 1 43 ? 24.019 7.224 171.341 1.00 18.06 ? ? ? ? ? ? 42 ASP C CA 1 +ATOM 4282 C C . ASP C 1 43 ? 22.895 6.932 170.387 1.00 18.22 ? ? ? ? ? ? 42 ASP C C 1 +ATOM 4283 O O . ASP C 1 43 ? 21.925 7.656 170.379 1.00 18.02 ? ? ? ? ? ? 42 ASP C O 1 +ATOM 4284 C CB . ASP C 1 43 ? 24.759 8.478 170.860 1.00 20.03 ? ? ? ? ? ? 42 ASP C CB 1 +ATOM 4285 C CG . ASP C 1 43 ? 25.667 9.008 171.886 1.00 18.14 ? ? ? ? ? ? 42 ASP C CG 1 +ATOM 4286 O OD1 . ASP C 1 43 ? 25.629 8.459 173.004 1.00 17.04 ? ? ? ? ? ? 42 ASP C OD1 1 +ATOM 4287 O OD2 . ASP C 1 43 ? 26.391 9.986 171.608 1.00 20.47 ? ? ? ? ? ? 42 ASP C OD2 1 +ATOM 4288 N N . CYS C 1 44 ? 23.025 5.867 169.604 1.00 18.29 ? ? ? ? ? ? 43 CYS C N 1 +ATOM 4289 C CA . CYS C 1 44 ? 21.924 5.341 168.799 1.00 20.17 ? ? ? ? ? ? 43 CYS C CA 1 +ATOM 4290 C C . CYS C 1 44 ? 21.057 4.340 169.595 1.00 19.06 ? ? ? ? ? ? 43 CYS C C 1 +ATOM 4291 O O . CYS C 1 44 ? 19.852 4.417 169.602 1.00 18.76 ? ? ? ? ? ? 43 CYS C O 1 +ATOM 4292 C CB . CYS C 1 44 ? 22.469 4.612 167.560 1.00 20.51 ? ? ? ? ? ? 43 CYS C CB 1 +ATOM 4293 S SG . CYS C 1 44 ? 23.219 5.677 166.339 1.00 21.93 ? ? ? ? ? ? 43 CYS C SG 1 +ATOM 4294 N N . ILE C 1 45 ? 21.719 3.409 170.243 1.00 18.54 ? ? ? ? ? ? 44 ILE C N 1 +ATOM 4295 C CA . ILE C 1 45 ? 21.075 2.324 170.990 1.00 19.03 ? ? ? ? ? ? 44 ILE C CA 1 +ATOM 4296 C C . ILE C 1 45 ? 20.186 2.847 172.127 1.00 19.73 ? ? ? ? ? ? 44 ILE C C 1 +ATOM 4297 O O . ILE C 1 45 ? 19.025 2.442 172.237 1.00 20.27 ? ? ? ? ? ? 44 ILE C O 1 +ATOM 4298 C CB . ILE C 1 45 ? 22.115 1.366 171.600 1.00 18.39 ? ? ? ? ? ? 44 ILE C CB 1 +ATOM 4299 C CG1 . ILE C 1 45 ? 22.906 0.653 170.493 1.00 20.54 ? ? ? ? ? ? 44 ILE C CG1 1 +ATOM 4300 C CG2 . ILE C 1 45 ? 21.401 0.355 172.527 1.00 20.43 ? ? ? ? ? ? 44 ILE C CG2 1 +ATOM 4301 C CD1 . ILE C 1 45 ? 24.250 0.104 170.895 1.00 16.77 ? ? ? ? ? ? 44 ILE C CD1 1 +ATOM 4302 N N . LEU C 1 46 ? 20.708 3.749 172.958 1.00 18.87 ? ? ? ? ? ? 45 LEU C N 1 +ATOM 4303 C CA . LEU C 1 46 ? 19.941 4.189 174.123 1.00 18.73 ? ? ? ? ? ? 45 LEU C CA 1 +ATOM 4304 C C . LEU C 1 46 ? 18.632 4.899 173.770 1.00 18.46 ? ? ? ? ? ? 45 LEU C C 1 +ATOM 4305 O O . LEU C 1 46 ? 17.578 4.483 174.250 1.00 18.38 ? ? ? ? ? ? 45 LEU C O 1 +ATOM 4306 C CB . LEU C 1 46 ? 20.786 4.984 175.113 1.00 16.42 ? ? ? ? ? ? 45 LEU C CB 1 +ATOM 4307 C CG . LEU C 1 46 ? 21.969 4.212 175.711 1.00 17.43 ? ? ? ? ? ? 45 LEU C CG 1 +ATOM 4308 C CD1 . LEU C 1 46 ? 22.697 5.036 176.775 1.00 17.47 ? ? ? ? ? ? 45 LEU C CD1 1 +ATOM 4309 C CD2 . LEU C 1 46 ? 21.535 2.843 176.294 1.00 16.59 ? ? ? ? ? ? 45 LEU C CD2 1 +ATOM 4310 N N . PRO C 1 47 ? 18.680 5.962 172.945 1.00 18.78 ? ? ? ? ? ? 46 PRO C N 1 +ATOM 4311 C CA . PRO C 1 47 ? 17.400 6.558 172.587 1.00 18.51 ? ? ? ? ? ? 46 PRO C CA 1 +ATOM 4312 C C . PRO C 1 47 ? 16.467 5.633 171.797 1.00 18.42 ? ? ? ? ? ? 46 PRO C C 1 +ATOM 4313 O O . PRO C 1 47 ? 15.245 5.775 171.913 1.00 20.96 ? ? ? ? ? ? 46 PRO C O 1 +ATOM 4314 C CB . PRO C 1 47 ? 17.789 7.788 171.748 1.00 18.12 ? ? ? ? ? ? 46 PRO C CB 1 +ATOM 4315 C CG . PRO C 1 47 ? 19.165 7.519 171.269 1.00 16.69 ? ? ? ? ? ? 46 PRO C CG 1 +ATOM 4316 C CD . PRO C 1 47 ? 19.812 6.645 172.294 1.00 18.41 ? ? ? ? ? ? 46 PRO C CD 1 +ATOM 4317 N N . HIS C 1 48 ? 17.019 4.712 171.000 1.00 19.69 ? ? ? ? ? ? 47 HIS C N 1 +ATOM 4318 C CA . HIS C 1 48 ? 16.205 3.733 170.323 1.00 20.84 ? ? ? ? ? ? 47 HIS C CA 1 +ATOM 4319 C C . HIS C 1 48 ? 15.405 2.881 171.302 1.00 19.43 ? ? ? ? ? ? 47 HIS C C 1 +ATOM 4320 O O . HIS C 1 48 ? 14.187 2.689 171.165 1.00 18.86 ? ? ? ? ? ? 47 HIS C O 1 +ATOM 4321 C CB . HIS C 1 48 ? 17.063 2.825 169.442 1.00 21.08 ? ? ? ? ? ? 47 HIS C CB 1 +ATOM 4322 C CG . HIS C 1 48 ? 16.275 1.738 168.781 1.00 21.56 ? ? ? ? ? ? 47 HIS C CG 1 +ATOM 4323 N ND1 . HIS C 1 48 ? 16.093 0.495 169.358 1.00 25.62 ? ? ? ? ? ? 47 HIS C ND1 1 +ATOM 4324 C CD2 . HIS C 1 48 ? 15.556 1.730 167.633 1.00 23.86 ? ? ? ? ? ? 47 HIS C CD2 1 +ATOM 4325 C CE1 . HIS C 1 48 ? 15.342 -0.245 168.566 1.00 22.52 ? ? ? ? ? ? 47 HIS C CE1 1 +ATOM 4326 N NE2 . HIS C 1 48 ? 15.013 0.479 167.508 1.00 24.55 ? ? ? ? ? ? 47 HIS C NE2 1 +ATOM 4327 N N . ASP C 1 49 ? 16.093 2.369 172.299 1.00 20.87 ? ? ? ? ? ? 48 ASP C N 1 +ATOM 4328 C CA . ASP C 1 49 ? 15.461 1.465 173.287 1.00 21.41 ? ? ? ? ? ? 48 ASP C CA 1 +ATOM 4329 C C . ASP C 1 49 ? 14.454 2.187 174.174 1.00 20.70 ? ? ? ? ? ? 48 ASP C C 1 +ATOM 4330 O O . ASP C 1 49 ? 13.368 1.661 174.437 1.00 20.97 ? ? ? ? ? ? 48 ASP C O 1 +ATOM 4331 C CB . ASP C 1 49 ? 16.534 0.694 174.077 1.00 19.94 ? ? ? ? ? ? 48 ASP C CB 1 +ATOM 4332 C CG . ASP C 1 49 ? 17.224 -0.387 173.229 1.00 24.58 ? ? ? ? ? ? 48 ASP C CG 1 +ATOM 4333 O OD1 . ASP C 1 49 ? 16.903 -0.567 172.011 1.00 31.03 ? ? ? ? ? ? 48 ASP C OD1 1 +ATOM 4334 O OD2 . ASP C 1 49 ? 18.103 -1.077 173.778 1.00 29.36 ? ? ? ? ? ? 48 ASP C OD2 1 +ATOM 4335 N N . ILE C 1 50 ? 14.793 3.417 174.561 1.00 19.82 ? ? ? ? ? ? 49 ILE C N 1 +ATOM 4336 C CA . ILE C 1 50 ? 13.889 4.270 175.337 1.00 18.56 ? ? ? ? ? ? 49 ILE C CA 1 +ATOM 4337 C C . ILE C 1 50 ? 12.631 4.627 174.541 1.00 19.59 ? ? ? ? ? ? 49 ILE C C 1 +ATOM 4338 O O . ILE C 1 50 ? 11.530 4.529 175.048 1.00 19.84 ? ? ? ? ? ? 49 ILE C O 1 +ATOM 4339 C CB . ILE C 1 50 ? 14.612 5.593 175.816 1.00 18.19 ? ? ? ? ? ? 49 ILE C CB 1 +ATOM 4340 C CG1 . ILE C 1 50 ? 15.669 5.243 176.871 1.00 16.82 ? ? ? ? ? ? 49 ILE C CG1 1 +ATOM 4341 C CG2 . ILE C 1 50 ? 13.580 6.644 176.293 1.00 18.05 ? ? ? ? ? ? 49 ILE C CG2 1 +ATOM 4342 C CD1 . ILE C 1 50 ? 16.636 6.330 177.268 1.00 18.05 ? ? ? ? ? ? 49 ILE C CD1 1 +ATOM 4343 N N . ALA C 1 51 ? 12.808 5.014 173.276 1.00 19.92 ? ? ? ? ? ? 50 ALA C N 1 +ATOM 4344 C CA . ALA C 1 51 ? 11.685 5.340 172.405 1.00 19.29 ? ? ? ? ? ? 50 ALA C CA 1 +ATOM 4345 C C . ALA C 1 51 ? 10.753 4.149 172.206 1.00 19.29 ? ? ? ? ? ? 50 ALA C C 1 +ATOM 4346 O O . ALA C 1 51 ? 9.530 4.289 172.287 1.00 19.95 ? ? ? ? ? ? 50 ALA C O 1 +ATOM 4347 C CB . ALA C 1 51 ? 12.188 5.890 171.068 1.00 15.56 ? ? ? ? ? ? 50 ALA C CB 1 +ATOM 4348 N N . VAL C 1 52 ? 11.316 2.960 171.975 1.00 19.80 ? ? ? ? ? ? 51 VAL C N 1 +ATOM 4349 C CA . VAL C 1 52 ? 10.500 1.764 171.757 1.00 20.44 ? ? ? ? ? ? 51 VAL C CA 1 +ATOM 4350 C C . VAL C 1 52 ? 9.651 1.480 173.020 1.00 20.70 ? ? ? ? ? ? 51 VAL C C 1 +ATOM 4351 O O . VAL C 1 52 ? 8.439 1.267 172.933 1.00 21.20 ? ? ? ? ? ? 51 VAL C O 1 +ATOM 4352 C CB . VAL C 1 52 ? 11.359 0.566 171.302 1.00 21.47 ? ? ? ? ? ? 51 VAL C CB 1 +ATOM 4353 C CG1 . VAL C 1 52 ? 10.567 -0.783 171.378 1.00 16.20 ? ? ? ? ? ? 51 VAL C CG1 1 +ATOM 4354 C CG2 . VAL C 1 52 ? 11.917 0.839 169.900 1.00 17.16 ? ? ? ? ? ? 51 VAL C CG2 1 +ATOM 4355 N N . GLU C 1 53 ? 10.266 1.551 174.184 1.00 21.62 ? ? ? ? ? ? 52 GLU C N 1 +ATOM 4356 C CA A GLU C 1 53 ? 9.543 1.307 175.428 0.50 22.63 ? ? ? ? ? ? 52 GLU C CA 1 +ATOM 4357 C CA B GLU C 1 53 ? 9.557 1.314 175.444 0.50 23.27 ? ? ? ? ? ? 52 GLU C CA 1 +ATOM 4358 C C . GLU C 1 53 ? 8.471 2.370 175.653 1.00 21.75 ? ? ? ? ? ? 52 GLU C C 1 +ATOM 4359 O O . GLU C 1 53 ? 7.342 2.044 176.007 1.00 22.26 ? ? ? ? ? ? 52 GLU C O 1 +ATOM 4360 C CB A GLU C 1 53 ? 10.510 1.215 176.604 0.50 22.49 ? ? ? ? ? ? 52 GLU C CB 1 +ATOM 4361 C CB B GLU C 1 53 ? 10.528 1.293 176.630 0.50 23.23 ? ? ? ? ? ? 52 GLU C CB 1 +ATOM 4362 C CG A GLU C 1 53 ? 11.225 -0.135 176.668 0.50 23.17 ? ? ? ? ? ? 52 GLU C CG 1 +ATOM 4363 C CG B GLU C 1 53 ? 9.997 0.468 177.814 0.50 28.06 ? ? ? ? ? ? 52 GLU C CG 1 +ATOM 4364 C CD A GLU C 1 53 ? 11.836 -0.432 178.033 0.50 24.24 ? ? ? ? ? ? 52 GLU C CD 1 +ATOM 4365 C CD B GLU C 1 53 ? 10.830 0.595 179.085 0.50 25.39 ? ? ? ? ? ? 52 GLU C CD 1 +ATOM 4366 O OE1 A GLU C 1 53 ? 12.234 0.518 178.750 0.50 31.54 ? ? ? ? ? ? 52 GLU C OE1 1 +ATOM 4367 O OE1 B GLU C 1 53 ? 12.068 0.787 178.999 0.50 35.12 ? ? ? ? ? ? 52 GLU C OE1 1 +ATOM 4368 O OE2 A GLU C 1 53 ? 11.945 -1.630 178.371 0.50 35.27 ? ? ? ? ? ? 52 GLU C OE2 1 +ATOM 4369 O OE2 B GLU C 1 53 ? 10.229 0.500 180.175 0.50 26.52 ? ? ? ? ? ? 52 GLU C OE2 1 +ATOM 4370 N N . ALA C 1 54 ? 8.821 3.638 175.409 1.00 20.60 ? ? ? ? ? ? 53 ALA C N 1 +ATOM 4371 C CA . ALA C 1 54 ? 7.856 4.721 175.486 1.00 19.19 ? ? ? ? ? ? 53 ALA C CA 1 +ATOM 4372 C C . ALA C 1 54 ? 6.688 4.503 174.501 1.00 19.98 ? ? ? ? ? ? 53 ALA C C 1 +ATOM 4373 O O . ALA C 1 54 ? 5.517 4.700 174.857 1.00 20.72 ? ? ? ? ? ? 53 ALA C O 1 +ATOM 4374 C CB . ALA C 1 54 ? 8.552 6.099 175.268 1.00 17.69 ? ? ? ? ? ? 53 ALA C CB 1 +ATOM 4375 N N . ALA C 1 55 ? 6.985 4.075 173.273 1.00 20.13 ? ? ? ? ? ? 54 ALA C N 1 +ATOM 4376 C CA . ALA C 1 55 ? 5.924 3.823 172.267 1.00 21.00 ? ? ? ? ? ? 54 ALA C CA 1 +ATOM 4377 C C . ALA C 1 55 ? 4.997 2.686 172.674 1.00 20.62 ? ? ? ? ? ? 54 ALA C C 1 +ATOM 4378 O O . ALA C 1 55 ? 3.775 2.761 172.473 1.00 21.82 ? ? ? ? ? ? 54 ALA C O 1 +ATOM 4379 C CB . ALA C 1 55 ? 6.519 3.576 170.863 1.00 17.10 ? ? ? ? ? ? 54 ALA C CB 1 +ATOM 4380 N N . GLU C 1 56 ? 5.584 1.630 173.215 1.00 22.25 ? ? ? ? ? ? 55 GLU C N 1 +ATOM 4381 C CA . GLU C 1 56 ? 4.833 0.498 173.778 1.00 24.17 ? ? ? ? ? ? 55 GLU C CA 1 +ATOM 4382 C C . GLU C 1 56 ? 3.892 0.897 174.934 1.00 24.00 ? ? ? ? ? ? 55 GLU C C 1 +ATOM 4383 O O . GLU C 1 56 ? 2.733 0.439 174.998 1.00 23.35 ? ? ? ? ? ? 55 GLU C O 1 +ATOM 4384 C CB . GLU C 1 56 ? 5.796 -0.586 174.254 1.00 24.86 ? ? ? ? ? ? 55 GLU C CB 1 +ATOM 4385 C CG . GLU C 1 56 ? 6.510 -1.305 173.140 1.00 24.35 ? ? ? ? ? ? 55 GLU C CG 1 +ATOM 4386 C CD . GLU C 1 56 ? 7.523 -2.341 173.632 1.00 28.42 ? ? ? ? ? ? 55 GLU C CD 1 +ATOM 4387 O OE1 . GLU C 1 56 ? 8.132 -2.158 174.725 1.00 37.71 ? ? ? ? ? ? 55 GLU C OE1 1 +ATOM 4388 O OE2 . GLU C 1 56 ? 7.716 -3.341 172.918 1.00 31.24 ? ? ? ? ? ? 55 GLU C OE2 1 +ATOM 4389 N N . LEU C 1 57 ? 4.390 1.753 175.826 1.00 23.68 ? ? ? ? ? ? 56 LEU C N 1 +ATOM 4390 C CA . LEU C 1 57 ? 3.577 2.274 176.924 1.00 23.33 ? ? ? ? ? ? 56 LEU C CA 1 +ATOM 4391 C C . LEU C 1 57 ? 2.435 3.164 176.399 1.00 24.72 ? ? ? ? ? ? 56 LEU C C 1 +ATOM 4392 O O . LEU C 1 57 ? 1.276 2.977 176.783 1.00 25.44 ? ? ? ? ? ? 56 LEU C O 1 +ATOM 4393 C CB . LEU C 1 57 ? 4.450 3.000 177.966 1.00 24.88 ? ? ? ? ? ? 56 LEU C CB 1 +ATOM 4394 C CG . LEU C 1 57 ? 3.713 3.721 179.096 1.00 23.97 ? ? ? ? ? ? 56 LEU C CG 1 +ATOM 4395 C CD1 . LEU C 1 57 ? 2.803 2.771 179.859 1.00 22.66 ? ? ? ? ? ? 56 LEU C CD1 1 +ATOM 4396 C CD2 . LEU C 1 57 ? 4.705 4.359 180.022 1.00 20.40 ? ? ? ? ? ? 56 LEU C CD2 1 +ATOM 4397 N N . ALA C 1 58 ? 2.730 4.082 175.489 1.00 24.11 ? ? ? ? ? ? 57 ALA C N 1 +ATOM 4398 C CA . ALA C 1 58 ? 1.682 4.917 174.908 1.00 23.95 ? ? ? ? ? ? 57 ALA C CA 1 +ATOM 4399 C C . ALA C 1 58 ? 0.574 4.107 174.196 1.00 24.87 ? ? ? ? ? ? 57 ALA C C 1 +ATOM 4400 O O . ALA C 1 58 ? -0.623 4.470 174.256 1.00 25.61 ? ? ? ? ? ? 57 ALA C O 1 +ATOM 4401 C CB . ALA C 1 58 ? 2.291 5.972 173.968 1.00 23.37 ? ? ? ? ? ? 57 ALA C CB 1 +ATOM 4402 N N . LEU C 1 59 ? 0.981 3.028 173.525 1.00 25.19 ? ? ? ? ? ? 58 LEU C N 1 +ATOM 4403 C CA . LEU C 1 59 ? 0.067 2.139 172.827 1.00 25.80 ? ? ? ? ? ? 58 LEU C CA 1 +ATOM 4404 C C . LEU C 1 59 ? -0.805 1.392 173.846 1.00 27.07 ? ? ? ? ? ? 58 LEU C C 1 +ATOM 4405 O O . LEU C 1 59 ? -2.016 1.460 173.758 1.00 26.89 ? ? ? ? ? ? 58 LEU C O 1 +ATOM 4406 C CB . LEU C 1 59 ? 0.802 1.135 171.929 1.00 25.27 ? ? ? ? ? ? 58 LEU C CB 1 +ATOM 4407 C CG . LEU C 1 59 ? -0.031 0.218 171.002 1.00 25.41 ? ? ? ? ? ? 58 LEU C CG 1 +ATOM 4408 C CD1 . LEU C 1 59 ? -0.977 1.012 170.075 1.00 20.89 ? ? ? ? ? ? 58 LEU C CD1 1 +ATOM 4409 C CD2 . LEU C 1 59 ? 0.862 -0.734 170.162 1.00 26.43 ? ? ? ? ? ? 58 LEU C CD2 1 +ATOM 4410 N N . SER C 1 60 ? -0.184 0.714 174.810 1.00 27.81 ? ? ? ? ? ? 59 SER C N 1 +ATOM 4411 C CA . SER C 1 60 ? -0.943 -0.080 175.793 1.00 31.32 ? ? ? ? ? ? 59 SER C CA 1 +ATOM 4412 C C . SER C 1 60 ? -1.891 0.785 176.639 1.00 32.13 ? ? ? ? ? ? 59 SER C C 1 +ATOM 4413 O O . SER C 1 60 ? -3.034 0.393 176.889 1.00 34.26 ? ? ? ? ? ? 59 SER C O 1 +ATOM 4414 C CB . SER C 1 60 ? -0.018 -0.868 176.715 1.00 29.81 ? ? ? ? ? ? 59 SER C CB 1 +ATOM 4415 O OG . SER C 1 60 ? 0.641 -0.011 177.612 1.00 38.71 ? ? ? ? ? ? 59 SER C OG 1 +ATOM 4416 N N . ARG C 1 61 ? -1.407 1.966 177.020 1.00 31.84 ? ? ? ? ? ? 60 ARG C N 1 +ATOM 4417 C CA . ARG C 1 61 ? -2.072 2.856 177.965 1.00 32.34 ? ? ? ? ? ? 60 ARG C CA 1 +ATOM 4418 C C . ARG C 1 61 ? -3.163 3.720 177.327 1.00 31.76 ? ? ? ? ? ? 60 ARG C C 1 +ATOM 4419 O O . ARG C 1 61 ? -4.176 3.957 177.953 1.00 32.79 ? ? ? ? ? ? 60 ARG C O 1 +ATOM 4420 C CB . ARG C 1 61 ? -1.004 3.739 178.647 1.00 32.16 ? ? ? ? ? ? 60 ARG C CB 1 +ATOM 4421 C CG . ARG C 1 61 ? -1.528 4.810 179.546 1.00 35.44 ? ? ? ? ? ? 60 ARG C CG 1 +ATOM 4422 C CD . ARG C 1 61 ? -0.455 5.375 180.450 1.00 35.00 ? ? ? ? ? ? 60 ARG C CD 1 +ATOM 4423 N NE . ARG C 1 61 ? 0.345 6.396 179.781 1.00 36.24 ? ? ? ? ? ? 60 ARG C NE 1 +ATOM 4424 C CZ . ARG C 1 61 ? 1.399 6.986 180.322 1.00 32.55 ? ? ? ? ? ? 60 ARG C CZ 1 +ATOM 4425 N NH1 . ARG C 1 61 ? 1.787 6.655 181.543 1.00 35.04 ? ? ? ? ? ? 60 ARG C NH1 1 +ATOM 4426 N NH2 . ARG C 1 61 ? 2.056 7.912 179.647 1.00 36.35 ? ? ? ? ? ? 60 ARG C NH2 1 +ATOM 4427 N N . SER C 1 62 ? -2.944 4.192 176.098 1.00 30.81 ? ? ? ? ? ? 61 SER C N 1 +ATOM 4428 C CA . SER C 1 62 ? -3.833 5.175 175.459 1.00 29.94 ? ? ? ? ? ? 61 SER C CA 1 +ATOM 4429 C C . SER C 1 62 ? -4.313 4.782 174.049 1.00 29.38 ? ? ? ? ? ? 61 SER C C 1 +ATOM 4430 O O . SER C 1 62 ? -5.186 5.466 173.494 1.00 29.15 ? ? ? ? ? ? 61 SER C O 1 +ATOM 4431 C CB . SER C 1 62 ? -3.155 6.547 175.358 1.00 31.52 ? ? ? ? ? ? 61 SER C CB 1 +ATOM 4432 O OG . SER C 1 62 ? -2.788 7.070 176.624 1.00 36.09 ? ? ? ? ? ? 61 SER C OG 1 +ATOM 4433 N N . GLY C 1 63 ? -3.757 3.717 173.468 1.00 28.12 ? ? ? ? ? ? 62 GLY C N 1 +ATOM 4434 C CA . GLY C 1 63 ? -4.041 3.385 172.069 1.00 28.37 ? ? ? ? ? ? 62 GLY C CA 1 +ATOM 4435 C C . GLY C 1 63 ? -3.417 4.325 171.047 1.00 28.15 ? ? ? ? ? ? 62 GLY C C 1 +ATOM 4436 O O . GLY C 1 63 ? -3.789 4.297 169.888 1.00 29.86 ? ? ? ? ? ? 62 GLY C O 1 +ATOM 4437 N N . VAL C 1 64 ? -2.458 5.143 171.470 1.00 27.47 ? ? ? ? ? ? 63 VAL C N 1 +ATOM 4438 C CA . VAL C 1 64 ? -1.696 5.986 170.564 1.00 25.82 ? ? ? ? ? ? 63 VAL C CA 1 +ATOM 4439 C C . VAL C 1 64 ? -0.537 5.144 169.997 1.00 24.84 ? ? ? ? ? ? 63 VAL C C 1 +ATOM 4440 O O . VAL C 1 64 ? 0.260 4.618 170.752 1.00 24.00 ? ? ? ? ? ? 63 VAL C O 1 +ATOM 4441 C CB . VAL C 1 64 ? -1.169 7.237 171.303 1.00 26.45 ? ? ? ? ? ? 63 VAL C CB 1 +ATOM 4442 C CG1 . VAL C 1 64 ? -0.109 7.984 170.487 1.00 21.66 ? ? ? ? ? ? 63 VAL C CG1 1 +ATOM 4443 C CG2 . VAL C 1 64 ? -2.325 8.141 171.693 1.00 21.47 ? ? ? ? ? ? 63 VAL C CG2 1 +ATOM 4444 N N . ARG C 1 65 ? -0.479 5.012 168.670 1.00 24.14 ? ? ? ? ? ? 64 ARG C N 1 +ATOM 4445 C CA . ARG C 1 65 ? 0.540 4.200 168.001 1.00 23.78 ? ? ? ? ? ? 64 ARG C CA 1 +ATOM 4446 C C . ARG C 1 65 ? 1.617 5.063 167.332 1.00 22.86 ? ? ? ? ? ? 64 ARG C C 1 +ATOM 4447 O O . ARG C 1 65 ? 1.341 5.900 166.467 1.00 22.16 ? ? ? ? ? ? 64 ARG C O 1 +ATOM 4448 C CB . ARG C 1 65 ? -0.072 3.259 166.979 1.00 22.08 ? ? ? ? ? ? 64 ARG C CB 1 +ATOM 4449 C CG . ARG C 1 65 ? 0.932 2.183 166.471 1.00 24.08 ? ? ? ? ? ? 64 ARG C CG 1 +ATOM 4450 C CD . ARG C 1 65 ? 0.345 1.320 165.337 1.00 25.31 ? ? ? ? ? ? 64 ARG C CD 1 +ATOM 4451 N NE . ARG C 1 65 ? -0.663 0.392 165.854 1.00 25.28 ? ? ? ? ? ? 64 ARG C NE 1 +ATOM 4452 C CZ . ARG C 1 65 ? -1.989 0.559 165.832 1.00 29.18 ? ? ? ? ? ? 64 ARG C CZ 1 +ATOM 4453 N NH1 . ARG C 1 65 ? -2.575 1.588 165.256 1.00 31.70 ? ? ? ? ? ? 64 ARG C NH1 1 +ATOM 4454 N NH2 . ARG C 1 65 ? -2.755 -0.357 166.374 1.00 32.17 ? ? ? ? ? ? 64 ARG C NH2 1 +ATOM 4455 N N . CYS C 1 66 ? 2.849 4.815 167.737 1.00 22.70 ? ? ? ? ? ? 65 CYS C N 1 +ATOM 4456 C CA . CYS C 1 66 ? 4.001 5.556 167.244 1.00 23.34 ? ? ? ? ? ? 65 CYS C CA 1 +ATOM 4457 C C . CYS C 1 66 ? 4.991 4.591 166.595 1.00 22.86 ? ? ? ? ? ? 65 CYS C C 1 +ATOM 4458 O O . CYS C 1 66 ? 5.101 3.455 167.046 1.00 23.68 ? ? ? ? ? ? 65 CYS C O 1 +ATOM 4459 C CB . CYS C 1 66 ? 4.655 6.270 168.421 1.00 24.61 ? ? ? ? ? ? 65 CYS C CB 1 +ATOM 4460 S SG . CYS C 1 66 ? 3.498 7.350 169.334 1.00 25.50 ? ? ? ? ? ? 65 CYS C SG 1 +ATOM 4461 N N . MSE C 1 67 ? 5.696 5.055 165.544 1.00 20.87 ? ? ? ? ? ? 66 MSE C N 1 +ATOM 4462 C CA . MSE C 1 67 ? 6.759 4.288 164.890 1.00 18.79 ? ? ? ? ? ? 66 MSE C CA 1 +ATOM 4463 C C . MSE C 1 67 ? 8.123 4.877 165.218 1.00 19.02 ? ? ? ? ? ? 66 MSE C C 1 +ATOM 4464 O O . MSE C 1 67 ? 8.360 6.079 165.014 1.00 18.29 ? ? ? ? ? ? 66 MSE C O 1 +ATOM 4465 C CB . MSE C 1 67 ? 6.572 4.269 163.377 1.00 20.19 ? ? ? ? ? ? 66 MSE C CB 1 +ATOM 4466 C CG . MSE C 1 67 ? 7.655 3.519 162.608 1.00 17.57 ? ? ? ? ? ? 66 MSE C CG 1 +ATOM 4467 SE SE . MSE C 1 67 ? 7.768 1.676 163.259 0.75 14.45 ? ? ? ? ? ? 66 MSE C SE 1 +ATOM 4468 C CE . MSE C 1 67 ? 6.243 1.046 162.104 1.00 14.97 ? ? ? ? ? ? 66 MSE C CE 1 +ATOM 4469 N N . VAL C 1 68 ? 9.000 4.022 165.746 1.00 18.67 ? ? ? ? ? ? 67 VAL C N 1 +ATOM 4470 C CA . VAL C 1 68 ? 10.369 4.388 166.043 1.00 17.86 ? ? ? ? ? ? 67 VAL C CA 1 +ATOM 4471 C C . VAL C 1 68 ? 11.231 4.028 164.842 1.00 18.60 ? ? ? ? ? ? 67 VAL C C 1 +ATOM 4472 O O . VAL C 1 68 ? 11.447 2.870 164.539 1.00 18.43 ? ? ? ? ? ? 67 VAL C O 1 +ATOM 4473 C CB . VAL C 1 68 ? 10.894 3.723 167.337 1.00 16.71 ? ? ? ? ? ? 67 VAL C CB 1 +ATOM 4474 C CG1 . VAL C 1 68 ? 12.346 4.233 167.715 1.00 12.66 ? ? ? ? ? ? 67 VAL C CG1 1 +ATOM 4475 C CG2 . VAL C 1 68 ? 9.953 3.974 168.448 1.00 14.49 ? ? ? ? ? ? 67 VAL C CG2 1 +ATOM 4476 N N . MSE C 1 69 ? 11.716 5.057 164.163 1.00 18.27 ? ? ? ? ? ? 68 MSE C N 1 +ATOM 4477 C CA . MSE C 1 69 ? 12.532 4.884 162.964 1.00 18.08 ? ? ? ? ? ? 68 MSE C CA 1 +ATOM 4478 C C . MSE C 1 69 ? 13.909 4.334 163.320 1.00 18.87 ? ? ? ? ? ? 68 MSE C C 1 +ATOM 4479 O O . MSE C 1 69 ? 14.259 4.279 164.483 1.00 18.91 ? ? ? ? ? ? 68 MSE C O 1 +ATOM 4480 C CB . MSE C 1 69 ? 12.705 6.235 162.268 1.00 19.44 ? ? ? ? ? ? 68 MSE C CB 1 +ATOM 4481 C CG . MSE C 1 69 ? 11.442 6.878 161.797 1.00 17.42 ? ? ? ? ? ? 68 MSE C CG 1 +ATOM 4482 SE SE . MSE C 1 69 ? 10.474 5.835 160.429 0.75 25.38 ? ? ? ? ? ? 68 MSE C SE 1 +ATOM 4483 C CE . MSE C 1 69 ? 11.736 6.108 158.783 1.00 16.14 ? ? ? ? ? ? 68 MSE C CE 1 +ATOM 4484 N N . PRO C 1 70 ? 14.675 3.873 162.322 1.00 19.33 ? ? ? ? ? ? 69 PRO C N 1 +ATOM 4485 C CA . PRO C 1 70 ? 16.009 3.440 162.668 1.00 21.64 ? ? ? ? ? ? 69 PRO C CA 1 +ATOM 4486 C C . PRO C 1 70 ? 16.879 4.626 163.085 1.00 21.89 ? ? ? ? ? ? 69 PRO C C 1 +ATOM 4487 O O . PRO C 1 70 ? 16.732 5.718 162.557 1.00 20.46 ? ? ? ? ? ? 69 PRO C O 1 +ATOM 4488 C CB . PRO C 1 70 ? 16.526 2.765 161.375 1.00 22.32 ? ? ? ? ? ? 69 PRO C CB 1 +ATOM 4489 C CG . PRO C 1 70 ? 15.324 2.583 160.536 1.00 20.64 ? ? ? ? ? ? 69 PRO C CG 1 +ATOM 4490 C CD . PRO C 1 70 ? 14.386 3.659 160.901 1.00 19.62 ? ? ? ? ? ? 69 PRO C CD 1 +ATOM 4491 N N . PRO C 1 71 ? 17.789 4.397 164.023 1.00 22.24 ? ? ? ? ? ? 70 PRO C N 1 +ATOM 4492 C CA . PRO C 1 71 ? 18.605 5.502 164.483 1.00 21.95 ? ? ? ? ? ? 70 PRO C CA 1 +ATOM 4493 C C . PRO C 1 71 ? 19.573 6.077 163.447 1.00 21.48 ? ? ? ? ? ? 70 PRO C C 1 +ATOM 4494 O O . PRO C 1 71 ? 20.144 5.350 162.650 1.00 22.81 ? ? ? ? ? ? 70 PRO C O 1 +ATOM 4495 C CB . PRO C 1 71 ? 19.362 4.918 165.671 1.00 22.20 ? ? ? ? ? ? 70 PRO C CB 1 +ATOM 4496 C CG . PRO C 1 71 ? 18.812 3.559 165.903 1.00 20.70 ? ? ? ? ? ? 70 PRO C CG 1 +ATOM 4497 C CD . PRO C 1 71 ? 18.082 3.138 164.724 1.00 24.11 ? ? ? ? ? ? 70 PRO C CD 1 +ATOM 4498 N N . VAL C 1 72 ? 19.778 7.379 163.511 1.00 20.60 ? ? ? ? ? ? 71 VAL C N 1 +ATOM 4499 C CA . VAL C 1 72 ? 20.725 8.051 162.633 1.00 18.39 ? ? ? ? ? ? 71 VAL C CA 1 +ATOM 4500 C C . VAL C 1 72 ? 22.086 8.005 163.347 1.00 17.26 ? ? ? ? ? ? 71 VAL C C 1 +ATOM 4501 O O . VAL C 1 72 ? 22.213 8.547 164.416 1.00 17.24 ? ? ? ? ? ? 71 VAL C O 1 +ATOM 4502 C CB . VAL C 1 72 ? 20.296 9.501 162.319 1.00 17.89 ? ? ? ? ? ? 71 VAL C CB 1 +ATOM 4503 C CG1 . VAL C 1 72 ? 21.193 10.092 161.235 1.00 14.39 ? ? ? ? ? ? 71 VAL C CG1 1 +ATOM 4504 C CG2 . VAL C 1 72 ? 18.839 9.579 161.873 1.00 13.79 ? ? ? ? ? ? 71 VAL C CG2 1 +ATOM 4505 N N . PRO C 1 73 ? 23.092 7.324 162.777 1.00 16.48 ? ? ? ? ? ? 72 PRO C N 1 +ATOM 4506 C CA . PRO C 1 73 ? 24.401 7.260 163.455 1.00 17.73 ? ? ? ? ? ? 72 PRO C CA 1 +ATOM 4507 C C . PRO C 1 73 ? 25.389 8.379 163.164 1.00 18.22 ? ? ? ? ? ? 72 PRO C C 1 +ATOM 4508 O O . PRO C 1 73 ? 26.607 8.154 163.292 1.00 21.60 ? ? ? ? ? ? 72 PRO C O 1 +ATOM 4509 C CB . PRO C 1 73 ? 24.988 5.935 162.954 1.00 17.14 ? ? ? ? ? ? 72 PRO C CB 1 +ATOM 4510 C CG . PRO C 1 73 ? 24.424 5.796 161.549 1.00 22.02 ? ? ? ? ? ? 72 PRO C CG 1 +ATOM 4511 C CD . PRO C 1 73 ? 23.070 6.547 161.530 1.00 17.12 ? ? ? ? ? ? 72 PRO C CD 1 +ATOM 4512 N N . PHE C 1 74 ? 24.901 9.568 162.815 1.00 17.38 ? ? ? ? ? ? 73 PHE C N 1 +ATOM 4513 C CA . PHE C 1 74 ? 25.774 10.643 162.295 1.00 17.16 ? ? ? ? ? ? 73 PHE C CA 1 +ATOM 4514 C C . PHE C 1 74 ? 25.679 11.860 163.213 1.00 17.54 ? ? ? ? ? ? 73 PHE C C 1 +ATOM 4515 O O . PHE C 1 74 ? 24.791 12.674 163.067 1.00 17.52 ? ? ? ? ? ? 73 PHE C O 1 +ATOM 4516 C CB . PHE C 1 74 ? 25.383 11.000 160.851 1.00 17.79 ? ? ? ? ? ? 73 PHE C CB 1 +ATOM 4517 C CG . PHE C 1 74 ? 25.614 9.879 159.880 1.00 20.08 ? ? ? ? ? ? 73 PHE C CG 1 +ATOM 4518 C CD1 . PHE C 1 74 ? 26.893 9.447 159.597 1.00 22.41 ? ? ? ? ? ? 73 PHE C CD1 1 +ATOM 4519 C CD2 . PHE C 1 74 ? 24.557 9.231 159.285 1.00 19.34 ? ? ? ? ? ? 73 PHE C CD2 1 +ATOM 4520 C CE1 . PHE C 1 74 ? 27.098 8.359 158.753 1.00 24.26 ? ? ? ? ? ? 73 PHE C CE1 1 +ATOM 4521 C CE2 . PHE C 1 74 ? 24.760 8.161 158.442 1.00 18.19 ? ? ? ? ? ? 73 PHE C CE2 1 +ATOM 4522 C CZ . PHE C 1 74 ? 26.010 7.732 158.166 1.00 18.76 ? ? ? ? ? ? 73 PHE C CZ 1 +ATOM 4523 N N . GLY C 1 75 ? 26.598 11.957 164.168 1.00 17.95 ? ? ? ? ? ? 74 GLY C N 1 +ATOM 4524 C CA . GLY C 1 75 ? 26.576 13.026 165.153 1.00 17.31 ? ? ? ? ? ? 74 GLY C CA 1 +ATOM 4525 C C . GLY C 1 75 ? 27.613 14.089 164.857 1.00 16.90 ? ? ? ? ? ? 74 GLY C C 1 +ATOM 4526 O O . GLY C 1 75 ? 28.469 13.896 164.018 1.00 16.21 ? ? ? ? ? ? 74 GLY C O 1 +ATOM 4527 N N . ALA C 1 76 ? 27.473 15.234 165.521 1.00 16.66 ? ? ? ? ? ? 75 ALA C N 1 +ATOM 4528 C CA . ALA C 1 76 ? 28.417 16.365 165.454 1.00 17.05 ? ? ? ? ? ? 75 ALA C CA 1 +ATOM 4529 C C . ALA C 1 76 ? 29.403 16.249 166.600 1.00 18.20 ? ? ? ? ? ? 75 ALA C C 1 +ATOM 4530 O O . ALA C 1 76 ? 28.996 16.130 167.786 1.00 20.44 ? ? ? ? ? ? 75 ALA C O 1 +ATOM 4531 C CB . ALA C 1 76 ? 27.675 17.691 165.578 1.00 15.17 ? ? ? ? ? ? 75 ALA C CB 1 +ATOM 4532 N N . HIS C 1 77 ? 30.691 16.294 166.282 1.00 19.52 ? ? ? ? ? ? 76 HIS C N 1 +ATOM 4533 C CA . HIS C 1 77 ? 31.733 16.023 167.280 1.00 19.26 ? ? ? ? ? ? 76 HIS C CA 1 +ATOM 4534 C C . HIS C 1 77 ? 32.716 17.187 167.465 1.00 20.68 ? ? ? ? ? ? 76 HIS C C 1 +ATOM 4535 O O . HIS C 1 77 ? 32.621 18.224 166.787 1.00 19.60 ? ? ? ? ? ? 76 HIS C O 1 +ATOM 4536 C CB . HIS C 1 77 ? 32.413 14.696 166.948 1.00 19.80 ? ? ? ? ? ? 76 HIS C CB 1 +ATOM 4537 C CG . HIS C 1 77 ? 31.491 13.522 167.066 1.00 18.80 ? ? ? ? ? ? 76 HIS C CG 1 +ATOM 4538 N ND1 . HIS C 1 77 ? 31.053 13.048 168.278 1.00 20.50 ? ? ? ? ? ? 76 HIS C ND1 1 +ATOM 4539 C CD2 . HIS C 1 77 ? 30.877 12.765 166.125 1.00 22.25 ? ? ? ? ? ? 76 HIS C CD2 1 +ATOM 4540 C CE1 . HIS C 1 77 ? 30.237 12.025 168.078 1.00 23.80 ? ? ? ? ? ? 76 HIS C CE1 1 +ATOM 4541 N NE2 . HIS C 1 77 ? 30.120 11.827 166.779 1.00 19.64 ? ? ? ? ? ? 76 HIS C NE2 1 +ATOM 4542 N N . ASN C 1 78 ? 33.626 17.004 168.427 1.00 20.55 ? ? ? ? ? ? 77 ASN C N 1 +ATOM 4543 C CA . ASN C 1 78 ? 34.451 18.059 168.970 1.00 20.82 ? ? ? ? ? ? 77 ASN C CA 1 +ATOM 4544 C C . ASN C 1 78 ? 35.878 17.876 168.529 1.00 21.86 ? ? ? ? ? ? 77 ASN C C 1 +ATOM 4545 O O . ASN C 1 78 ? 36.290 16.782 168.179 1.00 21.85 ? ? ? ? ? ? 77 ASN C O 1 +ATOM 4546 C CB . ASN C 1 78 ? 34.453 18.005 170.500 1.00 20.59 ? ? ? ? ? ? 77 ASN C CB 1 +ATOM 4547 C CG . ASN C 1 78 ? 33.184 18.573 171.137 1.00 22.43 ? ? ? ? ? ? 77 ASN C CG 1 +ATOM 4548 O OD1 . ASN C 1 78 ? 32.060 18.358 170.676 1.00 24.12 ? ? ? ? ? ? 77 ASN C OD1 1 +ATOM 4549 N ND2 . ASN C 1 78 ? 33.380 19.307 172.220 1.00 19.04 ? ? ? ? ? ? 77 ASN C ND2 1 +ATOM 4550 N N . PRO C 1 79 ? 36.662 18.956 168.594 1.00 23.37 ? ? ? ? ? ? 78 PRO C N 1 +ATOM 4551 C CA . PRO C 1 79 ? 38.072 18.835 168.321 1.00 23.17 ? ? ? ? ? ? 78 PRO C CA 1 +ATOM 4552 C C . PRO C 1 79 ? 38.661 17.727 169.159 1.00 23.14 ? ? ? ? ? ? 78 PRO C C 1 +ATOM 4553 O O . PRO C 1 79 ? 38.237 17.547 170.326 1.00 22.78 ? ? ? ? ? ? 78 PRO C O 1 +ATOM 4554 C CB . PRO C 1 79 ? 38.619 20.187 168.745 1.00 23.27 ? ? ? ? ? ? 78 PRO C CB 1 +ATOM 4555 C CG . PRO C 1 79 ? 37.529 21.111 168.516 1.00 25.25 ? ? ? ? ? ? 78 PRO C CG 1 +ATOM 4556 C CD . PRO C 1 79 ? 36.291 20.341 168.933 1.00 23.78 ? ? ? ? ? ? 78 PRO C CD 1 +ATOM 4557 N N . GLY C 1 80 ? 39.569 16.966 168.540 1.00 22.01 ? ? ? ? ? ? 79 GLY C N 1 +ATOM 4558 C CA . GLY C 1 80 ? 40.224 15.825 169.167 1.00 23.65 ? ? ? ? ? ? 79 GLY C CA 1 +ATOM 4559 C C . GLY C 1 80 ? 39.514 14.494 169.107 1.00 23.59 ? ? ? ? ? ? 79 GLY C C 1 +ATOM 4560 O O . GLY C 1 80 ? 40.124 13.465 169.379 1.00 26.12 ? ? ? ? ? ? 79 GLY C O 1 +ATOM 4561 N N . GLN C 1 81 ? 38.235 14.488 168.754 1.00 23.47 ? ? ? ? ? ? 80 GLN C N 1 +ATOM 4562 C CA . GLN C 1 81 ? 37.471 13.246 168.642 1.00 23.68 ? ? ? ? ? ? 80 GLN C CA 1 +ATOM 4563 C C . GLN C 1 81 ? 37.579 12.590 167.267 1.00 24.28 ? ? ? ? ? ? 80 GLN C C 1 +ATOM 4564 O O . GLN C 1 81 ? 37.499 11.383 167.138 1.00 24.18 ? ? ? ? ? ? 80 GLN C O 1 +ATOM 4565 C CB . GLN C 1 81 ? 35.997 13.508 168.888 1.00 23.37 ? ? ? ? ? ? 80 GLN C CB 1 +ATOM 4566 C CG . GLN C 1 81 ? 35.619 13.863 170.266 1.00 21.51 ? ? ? ? ? ? 80 GLN C CG 1 +ATOM 4567 C CD . GLN C 1 81 ? 34.121 13.751 170.481 1.00 25.86 ? ? ? ? ? ? 80 GLN C CD 1 +ATOM 4568 O OE1 . GLN C 1 81 ? 33.325 14.615 170.037 1.00 24.44 ? ? ? ? ? ? 80 GLN C OE1 1 +ATOM 4569 N NE2 . GLN C 1 81 ? 33.715 12.657 171.139 1.00 26.41 ? ? ? ? ? ? 80 GLN C NE2 1 +ATOM 4570 N N . ARG C 1 82 ? 37.673 13.416 166.244 1.00 24.33 ? ? ? ? ? ? 81 ARG C N 1 +ATOM 4571 C CA . ARG C 1 82 ? 37.701 12.966 164.852 1.00 26.49 ? ? ? ? ? ? 81 ARG C CA 1 +ATOM 4572 C C . ARG C 1 82 ? 38.960 12.139 164.558 1.00 26.16 ? ? ? ? ? ? 81 ARG C C 1 +ATOM 4573 O O . ARG C 1 82 ? 38.942 11.319 163.666 1.00 27.32 ? ? ? ? ? ? 81 ARG C O 1 +ATOM 4574 C CB . ARG C 1 82 ? 37.584 14.182 163.916 1.00 26.60 ? ? ? ? ? ? 81 ARG C CB 1 +ATOM 4575 C CG . ARG C 1 82 ? 37.328 13.887 162.461 1.00 29.54 ? ? ? ? ? ? 81 ARG C CG 1 +ATOM 4576 C CD . ARG C 1 82 ? 37.253 15.141 161.591 1.00 26.74 ? ? ? ? ? ? 81 ARG C CD 1 +ATOM 4577 N NE . ARG C 1 82 ? 38.477 15.945 161.612 1.00 33.97 ? ? ? ? ? ? 81 ARG C NE 1 +ATOM 4578 C CZ . ARG C 1 82 ? 38.811 16.864 160.689 1.00 35.81 ? ? ? ? ? ? 81 ARG C CZ 1 +ATOM 4579 N NH1 . ARG C 1 82 ? 38.060 17.085 159.618 1.00 29.60 ? ? ? ? ? ? 81 ARG C NH1 1 +ATOM 4580 N NH2 . ARG C 1 82 ? 39.927 17.559 160.817 1.00 36.46 ? ? ? ? ? ? 81 ARG C NH2 1 +ATOM 4581 N N . GLU C 1 83 ? 40.012 12.323 165.352 1.00 26.77 ? ? ? ? ? ? 82 GLU C N 1 +ATOM 4582 C CA . GLU C 1 83 ? 41.238 11.530 165.244 1.00 29.68 ? ? ? ? ? ? 82 GLU C CA 1 +ATOM 4583 C C . GLU C 1 83 ? 41.179 10.186 165.961 1.00 26.92 ? ? ? ? ? ? 82 GLU C C 1 +ATOM 4584 O O . GLU C 1 83 ? 42.034 9.346 165.739 1.00 26.25 ? ? ? ? ? ? 82 GLU C O 1 +ATOM 4585 C CB . GLU C 1 83 ? 42.455 12.337 165.727 1.00 31.02 ? ? ? ? ? ? 82 GLU C CB 1 +ATOM 4586 C CG . GLU C 1 83 ? 42.587 12.547 167.270 1.00 36.92 ? ? ? ? ? ? 82 GLU C CG 1 +ATOM 4587 C CD . GLU C 1 83 ? 43.635 13.620 167.662 1.00 39.00 ? ? ? ? ? ? 82 GLU C CD 1 +ATOM 4588 O OE1 . GLU C 1 83 ? 43.593 14.750 167.107 1.00 55.19 ? ? ? ? ? ? 82 GLU C OE1 1 +ATOM 4589 O OE2 . GLU C 1 83 ? 44.484 13.347 168.552 1.00 50.76 ? ? ? ? ? ? 82 GLU C OE2 1 +ATOM 4590 N N . LEU C 1 84 ? 40.170 9.968 166.802 1.00 25.03 ? ? ? ? ? ? 83 LEU C N 1 +ATOM 4591 C CA . LEU C 1 84 ? 39.993 8.679 167.450 1.00 24.17 ? ? ? ? ? ? 83 LEU C CA 1 +ATOM 4592 C C . LEU C 1 84 ? 39.442 7.641 166.439 1.00 23.47 ? ? ? ? ? ? 83 LEU C C 1 +ATOM 4593 O O . LEU C 1 84 ? 38.502 7.940 165.702 1.00 21.38 ? ? ? ? ? ? 83 LEU C O 1 +ATOM 4594 C CB . LEU C 1 84 ? 39.049 8.831 168.655 1.00 23.15 ? ? ? ? ? ? 83 LEU C CB 1 +ATOM 4595 C CG . LEU C 1 84 ? 39.500 9.803 169.760 1.00 26.94 ? ? ? ? ? ? 83 LEU C CG 1 +ATOM 4596 C CD1 . LEU C 1 84 ? 38.401 10.091 170.739 1.00 20.14 ? ? ? ? ? ? 83 LEU C CD1 1 +ATOM 4597 C CD2 . LEU C 1 84 ? 40.742 9.292 170.482 1.00 27.34 ? ? ? ? ? ? 83 LEU C CD2 1 +ATOM 4598 N N . PRO C 1 85 ? 39.994 6.411 166.430 1.00 23.19 ? ? ? ? ? ? 84 PRO C N 1 +ATOM 4599 C CA . PRO C 1 85 ? 39.592 5.464 165.384 1.00 22.61 ? ? ? ? ? ? 84 PRO C CA 1 +ATOM 4600 C C . PRO C 1 85 ? 38.086 5.237 165.317 1.00 21.71 ? ? ? ? ? ? 84 PRO C C 1 +ATOM 4601 O O . PRO C 1 85 ? 37.445 4.929 166.344 1.00 20.74 ? ? ? ? ? ? 84 PRO C O 1 +ATOM 4602 C CB . PRO C 1 85 ? 40.327 4.153 165.736 1.00 22.67 ? ? ? ? ? ? 84 PRO C CB 1 +ATOM 4603 C CG . PRO C 1 85 ? 40.911 4.330 167.122 1.00 25.45 ? ? ? ? ? ? 84 PRO C CG 1 +ATOM 4604 C CD . PRO C 1 85 ? 40.976 5.837 167.371 1.00 25.16 ? ? ? ? ? ? 84 PRO C CD 1 +ATOM 4605 N N . PHE C 1 86 ? 37.553 5.393 164.093 1.00 21.38 ? ? ? ? ? ? 85 PHE C N 1 +ATOM 4606 C CA . PHE C 1 86 ? 36.126 5.145 163.761 1.00 21.00 ? ? ? ? ? ? 85 PHE C CA 1 +ATOM 4607 C C . PHE C 1 86 ? 35.096 6.146 164.314 1.00 20.79 ? ? ? ? ? ? 85 PHE C C 1 +ATOM 4608 O O . PHE C 1 86 ? 33.922 5.922 164.196 1.00 22.25 ? ? ? ? ? ? 85 PHE C O 1 +ATOM 4609 C CB . PHE C 1 86 ? 35.698 3.696 164.071 1.00 20.20 ? ? ? ? ? ? 85 PHE C CB 1 +ATOM 4610 C CG . PHE C 1 86 ? 36.754 2.692 163.769 1.00 21.50 ? ? ? ? ? ? 85 PHE C CG 1 +ATOM 4611 C CD1 . PHE C 1 86 ? 37.289 2.602 162.497 1.00 21.43 ? ? ? ? ? ? 85 PHE C CD1 1 +ATOM 4612 C CD2 . PHE C 1 86 ? 37.287 1.895 164.782 1.00 21.76 ? ? ? ? ? ? 85 PHE C CD2 1 +ATOM 4613 C CE1 . PHE C 1 86 ? 38.278 1.715 162.216 1.00 21.84 ? ? ? ? ? ? 85 PHE C CE1 1 +ATOM 4614 C CE2 . PHE C 1 86 ? 38.309 1.002 164.508 1.00 26.07 ? ? ? ? ? ? 85 PHE C CE2 1 +ATOM 4615 C CZ . PHE C 1 86 ? 38.797 0.903 163.220 1.00 22.86 ? ? ? ? ? ? 85 PHE C CZ 1 +ATOM 4616 N N . CYS C 1 87 ? 35.539 7.256 164.880 1.00 21.28 ? ? ? ? ? ? 86 CYS C N 1 +ATOM 4617 C CA . CYS C 1 87 ? 34.642 8.347 165.234 1.00 21.09 ? ? ? ? ? ? 86 CYS C CA 1 +ATOM 4618 C C . CYS C 1 87 ? 34.299 9.134 163.973 1.00 21.30 ? ? ? ? ? ? 86 CYS C C 1 +ATOM 4619 O O . CYS C 1 87 ? 35.207 9.591 163.302 1.00 22.64 ? ? ? ? ? ? 86 CYS C O 1 +ATOM 4620 C CB . CYS C 1 87 ? 35.339 9.251 166.240 1.00 21.84 ? ? ? ? ? ? 86 CYS C CB 1 +ATOM 4621 S SG . CYS C 1 87 ? 34.301 10.600 166.748 1.00 22.72 ? ? ? ? ? ? 86 CYS C SG 1 +ATOM 4622 N N . ILE C 1 88 ? 33.009 9.271 163.627 1.00 19.16 ? ? ? ? ? ? 87 ILE C N 1 +ATOM 4623 C CA . ILE C 1 88 ? 32.619 9.964 162.377 1.00 19.57 ? ? ? ? ? ? 87 ILE C CA 1 +ATOM 4624 C C . ILE C 1 88 ? 31.965 11.321 162.675 1.00 18.79 ? ? ? ? ? ? 87 ILE C C 1 +ATOM 4625 O O . ILE C 1 88 ? 30.838 11.384 163.180 1.00 18.81 ? ? ? ? ? ? 87 ILE C O 1 +ATOM 4626 C CB . ILE C 1 88 ? 31.674 9.117 161.459 1.00 20.01 ? ? ? ? ? ? 87 ILE C CB 1 +ATOM 4627 C CG1 . ILE C 1 88 ? 32.276 7.747 161.110 1.00 23.47 ? ? ? ? ? ? 87 ILE C CG1 1 +ATOM 4628 C CG2 . ILE C 1 88 ? 31.433 9.840 160.162 1.00 16.72 ? ? ? ? ? ? 87 ILE C CG2 1 +ATOM 4629 C CD1 . ILE C 1 88 ? 33.780 7.807 160.569 1.00 15.74 ? ? ? ? ? ? 87 ILE C CD1 1 +ATOM 4630 N N . HIS C 1 89 ? 32.685 12.410 162.380 1.00 18.75 ? ? ? ? ? ? 88 HIS C N 1 +ATOM 4631 C CA . HIS C 1 89 ? 32.145 13.763 162.525 1.00 18.03 ? ? ? ? ? ? 88 HIS C CA 1 +ATOM 4632 C C . HIS C 1 89 ? 31.235 14.127 161.367 1.00 17.21 ? ? ? ? ? ? 88 HIS C C 1 +ATOM 4633 O O . HIS C 1 89 ? 31.655 14.089 160.212 1.00 17.45 ? ? ? ? ? ? 88 HIS C O 1 +ATOM 4634 C CB . HIS C 1 89 ? 33.244 14.832 162.584 1.00 18.17 ? ? ? ? ? ? 88 HIS C CB 1 +ATOM 4635 C CG . HIS C 1 89 ? 32.699 16.228 162.525 1.00 16.61 ? ? ? ? ? ? 88 HIS C CG 1 +ATOM 4636 N ND1 . HIS C 1 89 ? 31.903 16.754 163.519 1.00 16.89 ? ? ? ? ? ? 88 HIS C ND1 1 +ATOM 4637 C CD2 . HIS C 1 89 ? 32.781 17.181 161.569 1.00 19.48 ? ? ? ? ? ? 88 HIS C CD2 1 +ATOM 4638 C CE1 . HIS C 1 89 ? 31.575 17.994 163.204 1.00 20.36 ? ? ? ? ? ? 88 HIS C CE1 1 +ATOM 4639 N NE2 . HIS C 1 89 ? 32.080 18.271 162.013 1.00 15.60 ? ? ? ? ? ? 88 HIS C NE2 1 +ATOM 4640 N N . THR C 1 90 ? 30.001 14.519 161.675 1.00 17.44 ? ? ? ? ? ? 89 THR C N 1 +ATOM 4641 C CA . THR C 1 90 ? 29.031 14.911 160.666 1.00 16.85 ? ? ? ? ? ? 89 THR C CA 1 +ATOM 4642 C C . THR C 1 90 ? 28.893 16.435 160.650 1.00 16.98 ? ? ? ? ? ? 89 THR C C 1 +ATOM 4643 O O . THR C 1 90 ? 28.608 17.053 161.675 1.00 17.54 ? ? ? ? ? ? 89 THR C O 1 +ATOM 4644 C CB . THR C 1 90 ? 27.686 14.238 160.955 1.00 18.00 ? ? ? ? ? ? 89 THR C CB 1 +ATOM 4645 O OG1 . THR C 1 90 ? 27.923 12.834 161.149 1.00 16.07 ? ? ? ? ? ? 89 THR C OG1 1 +ATOM 4646 C CG2 . THR C 1 90 ? 26.697 14.399 159.761 1.00 14.59 ? ? ? ? ? ? 89 THR C CG2 1 +ATOM 4647 N N . ARG C 1 91 ? 29.061 17.059 159.483 1.00 15.13 ? ? ? ? ? ? 90 ARG C N 1 +ATOM 4648 C CA . ARG C 1 91 ? 28.780 18.496 159.362 1.00 15.59 ? ? ? ? ? ? 90 ARG C CA 1 +ATOM 4649 C C . ARG C 1 91 ? 27.321 18.805 159.578 1.00 16.85 ? ? ? ? ? ? 90 ARG C C 1 +ATOM 4650 O O . ARG C 1 91 ? 26.454 17.965 159.289 1.00 16.10 ? ? ? ? ? ? 90 ARG C O 1 +ATOM 4651 C CB . ARG C 1 91 ? 29.195 19.007 157.984 1.00 17.63 ? ? ? ? ? ? 90 ARG C CB 1 +ATOM 4652 C CG . ARG C 1 91 ? 30.698 19.211 157.812 1.00 13.59 ? ? ? ? ? ? 90 ARG C CG 1 +ATOM 4653 C CD . ARG C 1 91 ? 31.106 19.411 156.359 1.00 20.29 ? ? ? ? ? ? 90 ARG C CD 1 +ATOM 4654 N NE . ARG C 1 91 ? 30.786 18.249 155.503 1.00 22.28 ? ? ? ? ? ? 90 ARG C NE 1 +ATOM 4655 C CZ . ARG C 1 91 ? 30.735 18.256 154.163 1.00 28.76 ? ? ? ? ? ? 90 ARG C CZ 1 +ATOM 4656 N NH1 . ARG C 1 91 ? 30.990 19.372 153.459 1.00 30.22 ? ? ? ? ? ? 90 ARG C NH1 1 +ATOM 4657 N NH2 . ARG C 1 91 ? 30.444 17.134 153.508 1.00 22.87 ? ? ? ? ? ? 90 ARG C NH2 1 +ATOM 4658 N N . TYR C 1 92 ? 27.039 20.013 160.088 1.00 17.59 ? ? ? ? ? ? 91 TYR C N 1 +ATOM 4659 C CA . TYR C 1 92 ? 25.684 20.451 160.345 1.00 17.16 ? ? ? ? ? ? 91 TYR C CA 1 +ATOM 4660 C C . TYR C 1 92 ? 24.886 20.342 159.058 1.00 15.62 ? ? ? ? ? ? 91 TYR C C 1 +ATOM 4661 O O . TYR C 1 92 ? 23.747 19.948 159.094 1.00 17.03 ? ? ? ? ? ? 91 TYR C O 1 +ATOM 4662 C CB . TYR C 1 92 ? 25.620 21.933 160.828 1.00 18.66 ? ? ? ? ? ? 91 TYR C CB 1 +ATOM 4663 C CG . TYR C 1 92 ? 24.255 22.366 161.369 1.00 19.65 ? ? ? ? ? ? 91 TYR C CG 1 +ATOM 4664 C CD1 . TYR C 1 92 ? 23.227 22.827 160.525 1.00 22.88 ? ? ? ? ? ? 91 TYR C CD1 1 +ATOM 4665 C CD2 . TYR C 1 92 ? 23.994 22.315 162.721 1.00 23.25 ? ? ? ? ? ? 91 TYR C CD2 1 +ATOM 4666 C CE1 . TYR C 1 92 ? 21.982 23.227 161.057 1.00 20.47 ? ? ? ? ? ? 91 TYR C CE1 1 +ATOM 4667 C CE2 . TYR C 1 92 ? 22.786 22.692 163.244 1.00 23.05 ? ? ? ? ? ? 91 TYR C CE2 1 +ATOM 4668 C CZ . TYR C 1 92 ? 21.779 23.155 162.421 1.00 24.90 ? ? ? ? ? ? 91 TYR C CZ 1 +ATOM 4669 O OH . TYR C 1 92 ? 20.580 23.509 163.039 1.00 29.20 ? ? ? ? ? ? 91 TYR C OH 1 +ATOM 4670 N N . ALA C 1 93 ? 25.466 20.794 157.947 1.00 16.22 ? ? ? ? ? ? 92 ALA C N 1 +ATOM 4671 C CA . ALA C 1 93 ? 24.782 20.759 156.657 1.00 15.79 ? ? ? ? ? ? 92 ALA C CA 1 +ATOM 4672 C C . ALA C 1 93 ? 24.422 19.341 156.231 1.00 15.38 ? ? ? ? ? ? 92 ALA C C 1 +ATOM 4673 O O . ALA C 1 93 ? 23.406 19.143 155.561 1.00 15.11 ? ? ? ? ? ? 92 ALA C O 1 +ATOM 4674 C CB . ALA C 1 93 ? 25.617 21.470 155.548 1.00 15.01 ? ? ? ? ? ? 92 ALA C CB 1 +ATOM 4675 N N . THR C 1 94 ? 25.271 18.379 156.578 1.00 15.28 ? ? ? ? ? ? 93 THR C N 1 +ATOM 4676 C CA . THR C 1 94 ? 25.021 16.973 156.261 1.00 14.49 ? ? ? ? ? ? 93 THR C CA 1 +ATOM 4677 C C . THR C 1 94 ? 23.835 16.502 157.098 1.00 16.24 ? ? ? ? ? ? 93 THR C C 1 +ATOM 4678 O O . THR C 1 94 ? 22.914 15.868 156.579 1.00 15.88 ? ? ? ? ? ? 93 THR C O 1 +ATOM 4679 C CB . THR C 1 94 ? 26.245 16.109 156.498 1.00 17.41 ? ? ? ? ? ? 93 THR C CB 1 +ATOM 4680 O OG1 . THR C 1 94 ? 27.331 16.631 155.712 1.00 14.73 ? ? ? ? ? ? 93 THR C OG1 1 +ATOM 4681 C CG2 . THR C 1 94 ? 25.965 14.553 156.118 1.00 13.19 ? ? ? ? ? ? 93 THR C CG2 1 +ATOM 4682 N N . GLN C 1 95 ? 23.821 16.836 158.383 1.00 16.74 ? ? ? ? ? ? 94 GLN C N 1 +ATOM 4683 C CA . GLN C 1 95 ? 22.683 16.457 159.225 1.00 16.12 ? ? ? ? ? ? 94 GLN C CA 1 +ATOM 4684 C C . GLN C 1 95 ? 21.396 17.075 158.718 1.00 15.66 ? ? ? ? ? ? 94 GLN C C 1 +ATOM 4685 O O . GLN C 1 95 ? 20.372 16.395 158.642 1.00 15.92 ? ? ? ? ? ? 94 GLN C O 1 +ATOM 4686 C CB . GLN C 1 95 ? 22.935 16.867 160.670 1.00 17.63 ? ? ? ? ? ? 94 GLN C CB 1 +ATOM 4687 C CG . GLN C 1 95 ? 24.153 16.169 161.309 1.00 19.62 ? ? ? ? ? ? 94 GLN C CG 1 +ATOM 4688 C CD . GLN C 1 95 ? 24.335 16.582 162.757 1.00 17.68 ? ? ? ? ? ? 94 GLN C CD 1 +ATOM 4689 O OE1 . GLN C 1 95 ? 24.304 17.767 163.079 1.00 17.31 ? ? ? ? ? ? 94 GLN C OE1 1 +ATOM 4690 N NE2 . GLN C 1 95 ? 24.527 15.599 163.634 1.00 18.41 ? ? ? ? ? ? 94 GLN C NE2 1 +ATOM 4691 N N . GLN C 1 96 ? 21.448 18.351 158.318 1.00 16.85 ? ? ? ? ? ? 95 GLN C N 1 +ATOM 4692 C CA . GLN C 1 96 ? 20.269 19.032 157.804 1.00 16.76 ? ? ? ? ? ? 95 GLN C CA 1 +ATOM 4693 C C . GLN C 1 96 ? 19.739 18.372 156.527 1.00 15.56 ? ? ? ? ? ? 95 GLN C C 1 +ATOM 4694 O O . GLN C 1 96 ? 18.527 18.240 156.346 1.00 16.33 ? ? ? ? ? ? 95 GLN C O 1 +ATOM 4695 C CB . GLN C 1 96 ? 20.561 20.510 157.581 1.00 15.66 ? ? ? ? ? ? 95 GLN C CB 1 +ATOM 4696 C CG . GLN C 1 96 ? 19.286 21.326 157.177 1.00 21.39 ? ? ? ? ? ? 95 GLN C CG 1 +ATOM 4697 C CD . GLN C 1 96 ? 19.576 22.797 156.826 1.00 26.29 ? ? ? ? ? ? 95 GLN C CD 1 +ATOM 4698 O OE1 . GLN C 1 96 ? 20.342 23.481 157.501 1.00 31.78 ? ? ? ? ? ? 95 GLN C OE1 1 +ATOM 4699 N NE2 . GLN C 1 96 ? 18.976 23.262 155.738 1.00 39.70 ? ? ? ? ? ? 95 GLN C NE2 1 +ATOM 4700 N N . ALA C 1 97 ? 20.644 17.986 155.628 1.00 15.65 ? ? ? ? ? ? 96 ALA C N 1 +ATOM 4701 C CA . ALA C 1 97 ? 20.260 17.272 154.414 1.00 15.45 ? ? ? ? ? ? 96 ALA C CA 1 +ATOM 4702 C C . ALA C 1 97 ? 19.554 15.937 154.760 1.00 16.50 ? ? ? ? ? ? 96 ALA C C 1 +ATOM 4703 O O . ALA C 1 97 ? 18.544 15.569 154.144 1.00 14.33 ? ? ? ? ? ? 96 ALA C O 1 +ATOM 4704 C CB . ALA C 1 97 ? 21.480 17.079 153.502 1.00 15.03 ? ? ? ? ? ? 96 ALA C CB 1 +ATOM 4705 N N . ILE C 1 98 ? 20.039 15.244 155.791 1.00 15.93 ? ? ? ? ? ? 97 ILE C N 1 +ATOM 4706 C CA . ILE C 1 98 ? 19.432 13.997 156.228 1.00 15.06 ? ? ? ? ? ? 97 ILE C CA 1 +ATOM 4707 C C . ILE C 1 98 ? 18.024 14.245 156.721 1.00 15.77 ? ? ? ? ? ? 97 ILE C C 1 +ATOM 4708 O O . ILE C 1 98 ? 17.075 13.576 156.274 1.00 16.12 ? ? ? ? ? ? 97 ILE C O 1 +ATOM 4709 C CB . ILE C 1 98 ? 20.322 13.247 157.303 1.00 15.81 ? ? ? ? ? ? 97 ILE C CB 1 +ATOM 4710 C CG1 . ILE C 1 98 ? 21.574 12.657 156.664 1.00 16.81 ? ? ? ? ? ? 97 ILE C CG1 1 +ATOM 4711 C CG2 . ILE C 1 98 ? 19.534 12.112 158.011 1.00 17.42 ? ? ? ? ? ? 97 ILE C CG2 1 +ATOM 4712 C CD1 . ILE C 1 98 ? 22.706 12.300 157.694 1.00 13.36 ? ? ? ? ? ? 97 ILE C CD1 1 +ATOM 4713 N N . LEU C 1 99 ? 17.861 15.223 157.613 1.00 16.56 ? ? ? ? ? ? 98 LEU C N 1 +ATOM 4714 C CA . LEU C 1 99 ? 16.547 15.526 158.222 1.00 16.42 ? ? ? ? ? ? 98 LEU C CA 1 +ATOM 4715 C C . LEU C 1 99 ? 15.520 15.989 157.166 1.00 17.18 ? ? ? ? ? ? 98 LEU C C 1 +ATOM 4716 O O . LEU C 1 99 ? 14.379 15.589 157.218 1.00 17.39 ? ? ? ? ? ? 98 LEU C O 1 +ATOM 4717 C CB . LEU C 1 99 ? 16.663 16.578 159.347 1.00 15.21 ? ? ? ? ? ? 98 LEU C CB 1 +ATOM 4718 C CG . LEU C 1 99 ? 15.366 16.908 160.138 1.00 14.49 ? ? ? ? ? ? 98 LEU C CG 1 +ATOM 4719 C CD1 . LEU C 1 99 ? 14.727 15.626 160.700 1.00 14.07 ? ? ? ? ? ? 98 LEU C CD1 1 +ATOM 4720 C CD2 . LEU C 1 99 ? 15.547 17.966 161.262 1.00 13.10 ? ? ? ? ? ? 98 LEU C CD2 1 +ATOM 4721 N N . GLU C 1 100 ? 15.961 16.837 156.235 1.00 17.82 ? ? ? ? ? ? 99 GLU C N 1 +ATOM 4722 C CA . GLU C 1 100 ? 15.190 17.260 155.083 1.00 17.92 ? ? ? ? ? ? 99 GLU C CA 1 +ATOM 4723 C C . GLU C 1 100 ? 14.666 16.076 154.247 1.00 17.69 ? ? ? ? ? ? 99 GLU C C 1 +ATOM 4724 O O . GLU C 1 100 ? 13.512 16.063 153.852 1.00 17.22 ? ? ? ? ? ? 99 GLU C O 1 +ATOM 4725 C CB . GLU C 1 100 ? 16.048 18.156 154.179 1.00 17.14 ? ? ? ? ? ? 99 GLU C CB 1 +ATOM 4726 C CG . GLU C 1 100 ? 16.154 19.606 154.616 1.00 20.54 ? ? ? ? ? ? 99 GLU C CG 1 +ATOM 4727 C CD . GLU C 1 100 ? 17.185 20.452 153.802 1.00 21.01 ? ? ? ? ? ? 99 GLU C CD 1 +ATOM 4728 O OE1 . GLU C 1 100 ? 17.821 19.952 152.865 1.00 23.17 ? ? ? ? ? ? 99 GLU C OE1 1 +ATOM 4729 O OE2 . GLU C 1 100 ? 17.352 21.641 154.111 1.00 25.57 ? ? ? ? ? ? 99 GLU C OE2 1 +ATOM 4730 N N . ASP C 1 101 ? 15.526 15.109 153.957 1.00 16.15 ? ? ? ? ? ? 100 ASP C N 1 +ATOM 4731 C CA . ASP C 1 101 ? 15.117 13.900 153.235 1.00 17.17 ? ? ? ? ? ? 100 ASP C CA 1 +ATOM 4732 C C . ASP C 1 101 ? 14.090 13.046 153.985 1.00 17.64 ? ? ? ? ? ? 100 ASP C C 1 +ATOM 4733 O O . ASP C 1 101 ? 13.100 12.617 153.394 1.00 18.06 ? ? ? ? ? ? 100 ASP C O 1 +ATOM 4734 C CB . ASP C 1 101 ? 16.355 13.069 152.842 1.00 16.61 ? ? ? ? ? ? 100 ASP C CB 1 +ATOM 4735 C CG . ASP C 1 101 ? 17.189 13.748 151.722 1.00 18.58 ? ? ? ? ? ? 100 ASP C CG 1 +ATOM 4736 O OD1 . ASP C 1 101 ? 16.707 14.761 151.183 1.00 24.63 ? ? ? ? ? ? 100 ASP C OD1 1 +ATOM 4737 O OD2 . ASP C 1 101 ? 18.279 13.264 151.360 1.00 18.77 ? ? ? ? ? ? 100 ASP C OD2 1 +ATOM 4738 N N . ILE C 1 102 ? 14.338 12.825 155.280 1.00 17.64 ? ? ? ? ? ? 101 ILE C N 1 +ATOM 4739 C CA . ILE C 1 102 ? 13.418 12.107 156.183 1.00 15.92 ? ? ? ? ? ? 101 ILE C CA 1 +ATOM 4740 C C . ILE C 1 102 ? 12.078 12.837 156.256 1.00 16.92 ? ? ? ? ? ? 101 ILE C C 1 +ATOM 4741 O O . ILE C 1 102 ? 11.050 12.212 156.056 1.00 17.47 ? ? ? ? ? ? 101 ILE C O 1 +ATOM 4742 C CB . ILE C 1 102 ? 13.978 11.923 157.610 1.00 15.95 ? ? ? ? ? ? 101 ILE C CB 1 +ATOM 4743 C CG1 . ILE C 1 102 ? 15.240 11.054 157.607 1.00 16.06 ? ? ? ? ? ? 101 ILE C CG1 1 +ATOM 4744 C CG2 . ILE C 1 102 ? 12.918 11.324 158.559 1.00 14.03 ? ? ? ? ? ? 101 ILE C CG2 1 +ATOM 4745 C CD1 . ILE C 1 102 ? 16.026 11.101 158.904 1.00 15.10 ? ? ? ? ? ? 101 ILE C CD1 1 +ATOM 4746 N N . VAL C 1 103 ? 12.086 14.158 156.458 1.00 17.53 ? ? ? ? ? ? 102 VAL C N 1 +ATOM 4747 C CA . VAL C 1 103 ? 10.842 14.909 156.553 1.00 17.05 ? ? ? ? ? ? 102 VAL C CA 1 +ATOM 4748 C C . VAL C 1 103 ? 10.070 14.930 155.227 1.00 17.95 ? ? ? ? ? ? 102 VAL C C 1 +ATOM 4749 O O . VAL C 1 103 ? 8.846 14.769 155.212 1.00 18.49 ? ? ? ? ? ? 102 VAL C O 1 +ATOM 4750 C CB . VAL C 1 103 ? 11.087 16.332 157.128 1.00 20.36 ? ? ? ? ? ? 102 VAL C CB 1 +ATOM 4751 C CG1 . VAL C 1 103 ? 9.811 17.238 156.988 1.00 16.77 ? ? ? ? ? ? 102 VAL C CG1 1 +ATOM 4752 C CG2 . VAL C 1 103 ? 11.539 16.210 158.593 1.00 15.07 ? ? ? ? ? ? 102 VAL C CG2 1 +ATOM 4753 N N . SER C 1 104 ? 10.779 15.083 154.117 1.00 16.97 ? ? ? ? ? ? 103 SER C N 1 +ATOM 4754 C CA . SER C 1 104 ? 10.142 15.120 152.811 1.00 15.55 ? ? ? ? ? ? 103 SER C CA 1 +ATOM 4755 C C . SER C 1 104 ? 9.393 13.784 152.550 1.00 18.29 ? ? ? ? ? ? 103 SER C C 1 +ATOM 4756 O O . SER C 1 104 ? 8.230 13.768 152.129 1.00 19.24 ? ? ? ? ? ? 103 SER C O 1 +ATOM 4757 C CB . SER C 1 104 ? 11.182 15.440 151.712 1.00 15.84 ? ? ? ? ? ? 103 SER C CB 1 +ATOM 4758 O OG . SER C 1 104 ? 10.649 15.255 150.404 1.00 23.39 ? ? ? ? ? ? 103 SER C OG 1 +ATOM 4759 N N . SER C 1 105 ? 10.029 12.669 152.880 1.00 18.15 ? ? ? ? ? ? 104 SER C N 1 +ATOM 4760 C CA . SER C 1 105 ? 9.410 11.343 152.689 1.00 18.13 ? ? ? ? ? ? 104 SER C CA 1 +ATOM 4761 C C . SER C 1 105 ? 8.205 11.150 153.620 1.00 17.26 ? ? ? ? ? ? 104 SER C C 1 +ATOM 4762 O O . SER C 1 105 ? 7.123 10.824 153.162 1.00 17.46 ? ? ? ? ? ? 104 SER C O 1 +ATOM 4763 C CB . SER C 1 105 ? 10.448 10.237 152.873 1.00 18.06 ? ? ? ? ? ? 104 SER C CB 1 +ATOM 4764 O OG . SER C 1 105 ? 11.389 10.287 151.811 1.00 20.02 ? ? ? ? ? ? 104 SER C OG 1 +ATOM 4765 N N . LEU C 1 106 ? 8.389 11.428 154.909 1.00 17.49 ? ? ? ? ? ? 105 LEU C N 1 +ATOM 4766 C CA . LEU C 1 106 ? 7.297 11.304 155.895 1.00 17.65 ? ? ? ? ? ? 105 LEU C CA 1 +ATOM 4767 C C . LEU C 1 106 ? 6.092 12.191 155.570 1.00 18.48 ? ? ? ? ? ? 105 LEU C C 1 +ATOM 4768 O O . LEU C 1 106 ? 4.966 11.749 155.695 1.00 18.68 ? ? ? ? ? ? 105 LEU C O 1 +ATOM 4769 C CB . LEU C 1 106 ? 7.796 11.575 157.305 1.00 15.17 ? ? ? ? ? ? 105 LEU C CB 1 +ATOM 4770 C CG . LEU C 1 106 ? 8.813 10.612 157.947 1.00 16.34 ? ? ? ? ? ? 105 LEU C CG 1 +ATOM 4771 C CD1 . LEU C 1 106 ? 9.233 11.192 159.325 1.00 13.57 ? ? ? ? ? ? 105 LEU C CD1 1 +ATOM 4772 C CD2 . LEU C 1 106 ? 8.315 9.174 158.104 1.00 17.44 ? ? ? ? ? ? 105 LEU C CD2 1 +ATOM 4773 N N . HIS C 1 107 ? 6.339 13.420 155.122 1.00 19.37 ? ? ? ? ? ? 106 HIS C N 1 +ATOM 4774 C CA . HIS C 1 107 ? 5.275 14.324 154.712 1.00 21.40 ? ? ? ? ? ? 106 HIS C CA 1 +ATOM 4775 C C . HIS C 1 107 ? 4.438 13.781 153.537 1.00 21.18 ? ? ? ? ? ? 106 HIS C C 1 +ATOM 4776 O O . HIS C 1 107 ? 3.205 13.825 153.586 1.00 22.64 ? ? ? ? ? ? 106 HIS C O 1 +ATOM 4777 C CB . HIS C 1 107 ? 5.815 15.720 154.404 1.00 21.82 ? ? ? ? ? ? 106 HIS C CB 1 +ATOM 4778 C CG . HIS C 1 107 ? 4.738 16.744 154.257 1.00 23.26 ? ? ? ? ? ? 106 HIS C CG 1 +ATOM 4779 N ND1 . HIS C 1 107 ? 3.973 16.853 153.116 1.00 25.62 ? ? ? ? ? ? 106 HIS C ND1 1 +ATOM 4780 C CD2 . HIS C 1 107 ? 4.272 17.681 155.116 1.00 23.79 ? ? ? ? ? ? 106 HIS C CD2 1 +ATOM 4781 C CE1 . HIS C 1 107 ? 3.095 17.822 153.272 1.00 25.32 ? ? ? ? ? ? 106 HIS C CE1 1 +ATOM 4782 N NE2 . HIS C 1 107 ? 3.256 18.343 154.475 1.00 24.91 ? ? ? ? ? ? 106 HIS C NE2 1 +ATOM 4783 N N . VAL C 1 108 ? 5.113 13.247 152.526 1.00 21.16 ? ? ? ? ? ? 107 VAL C N 1 +ATOM 4784 C CA . VAL C 1 108 ? 4.477 12.608 151.398 1.00 22.39 ? ? ? ? ? ? 107 VAL C CA 1 +ATOM 4785 C C . VAL C 1 108 ? 3.638 11.408 151.811 1.00 22.38 ? ? ? ? ? ? 107 VAL C C 1 +ATOM 4786 O O . VAL C 1 108 ? 2.626 11.172 151.203 1.00 22.39 ? ? ? ? ? ? 107 VAL C O 1 +ATOM 4787 C CB . VAL C 1 108 ? 5.514 12.150 150.325 1.00 23.36 ? ? ? ? ? ? 107 VAL C CB 1 +ATOM 4788 C CG1 . VAL C 1 108 ? 4.853 11.199 149.353 1.00 27.94 ? ? ? ? ? ? 107 VAL C CG1 1 +ATOM 4789 C CG2 . VAL C 1 108 ? 6.101 13.373 149.614 1.00 24.21 ? ? ? ? ? ? 107 VAL C CG2 1 +ATOM 4790 N N . GLN C 1 109 ? 4.067 10.695 152.857 1.00 21.69 ? ? ? ? ? ? 108 GLN C N 1 +ATOM 4791 C CA . GLN C 1 109 ? 3.347 9.534 153.381 1.00 21.76 ? ? ? ? ? ? 108 GLN C CA 1 +ATOM 4792 C C . GLN C 1 109 ? 2.113 9.883 154.225 1.00 22.98 ? ? ? ? ? ? 108 GLN C C 1 +ATOM 4793 O O . GLN C 1 109 ? 1.327 9.002 154.563 1.00 23.41 ? ? ? ? ? ? 108 GLN C O 1 +ATOM 4794 C CB . GLN C 1 109 ? 4.305 8.661 154.204 1.00 21.73 ? ? ? ? ? ? 108 GLN C CB 1 +ATOM 4795 C CG . GLN C 1 109 ? 5.421 8.069 153.374 1.00 18.43 ? ? ? ? ? ? 108 GLN C CG 1 +ATOM 4796 C CD . GLN C 1 109 ? 6.631 7.728 154.161 1.00 17.35 ? ? ? ? ? ? 108 GLN C CD 1 +ATOM 4797 O OE1 . GLN C 1 109 ? 6.553 7.475 155.356 1.00 18.66 ? ? ? ? ? ? 108 GLN C OE1 1 +ATOM 4798 N NE2 . GLN C 1 109 ? 7.774 7.672 153.486 1.00 15.02 ? ? ? ? ? ? 108 GLN C NE2 1 +ATOM 4799 N N . GLY C 1 110 ? 1.982 11.160 154.565 1.00 22.47 ? ? ? ? ? ? 109 GLY C N 1 +ATOM 4800 C CA . GLY C 1 110 ? 0.828 11.699 155.277 1.00 21.85 ? ? ? ? ? ? 109 GLY C CA 1 +ATOM 4801 C C . GLY C 1 110 ? 1.082 12.008 156.747 1.00 21.83 ? ? ? ? ? ? 109 GLY C C 1 +ATOM 4802 O O . GLY C 1 110 ? 0.171 12.400 157.471 1.00 21.41 ? ? ? ? ? ? 109 GLY C O 1 +ATOM 4803 N N . PHE C 1 111 ? 2.303 11.791 157.212 1.00 20.81 ? ? ? ? ? ? 110 PHE C N 1 +ATOM 4804 C CA . PHE C 1 111 ? 2.619 12.040 158.613 1.00 19.25 ? ? ? ? ? ? 110 PHE C CA 1 +ATOM 4805 C C . PHE C 1 111 ? 2.839 13.516 158.819 1.00 20.08 ? ? ? ? ? ? 110 PHE C C 1 +ATOM 4806 O O . PHE C 1 111 ? 3.266 14.229 157.912 1.00 20.98 ? ? ? ? ? ? 110 PHE C O 1 +ATOM 4807 C CB . PHE C 1 111 ? 3.799 11.182 159.064 1.00 20.00 ? ? ? ? ? ? 110 PHE C CB 1 +ATOM 4808 C CG . PHE C 1 111 ? 3.549 9.716 158.877 1.00 20.20 ? ? ? ? ? ? 110 PHE C CG 1 +ATOM 4809 C CD1 . PHE C 1 111 ? 2.527 9.080 159.577 1.00 22.84 ? ? ? ? ? ? 110 PHE C CD1 1 +ATOM 4810 C CD2 . PHE C 1 111 ? 4.315 8.958 157.987 1.00 19.86 ? ? ? ? ? ? 110 PHE C CD2 1 +ATOM 4811 C CE1 . PHE C 1 111 ? 2.284 7.719 159.383 1.00 20.23 ? ? ? ? ? ? 110 PHE C CE1 1 +ATOM 4812 C CE2 . PHE C 1 111 ? 4.060 7.597 157.798 1.00 18.22 ? ? ? ? ? ? 110 PHE C CE2 1 +ATOM 4813 C CZ . PHE C 1 111 ? 3.057 6.994 158.480 1.00 20.14 ? ? ? ? ? ? 110 PHE C CZ 1 +ATOM 4814 N N . ARG C 1 112 ? 2.492 13.979 160.008 1.00 19.92 ? ? ? ? ? ? 111 ARG C N 1 +ATOM 4815 C CA . ARG C 1 112 ? 2.504 15.395 160.327 1.00 21.36 ? ? ? ? ? ? 111 ARG C CA 1 +ATOM 4816 C C . ARG C 1 112 ? 3.134 15.688 161.720 1.00 20.74 ? ? ? ? ? ? 111 ARG C C 1 +ATOM 4817 O O . ARG C 1 112 ? 3.142 16.831 162.181 1.00 20.78 ? ? ? ? ? ? 111 ARG C O 1 +ATOM 4818 C CB . ARG C 1 112 ? 1.064 15.914 160.270 1.00 21.53 ? ? ? ? ? ? 111 ARG C CB 1 +ATOM 4819 C CG . ARG C 1 112 ? 0.350 15.817 158.886 1.00 20.57 ? ? ? ? ? ? 111 ARG C CG 1 +ATOM 4820 C CD . ARG C 1 112 ? 0.987 16.785 157.943 1.00 22.29 ? ? ? ? ? ? 111 ARG C CD 1 +ATOM 4821 N NE . ARG C 1 112 ? 0.412 16.831 156.587 1.00 28.35 ? ? ? ? ? ? 111 ARG C NE 1 +ATOM 4822 C CZ . ARG C 1 112 ? 0.806 16.080 155.563 1.00 23.29 ? ? ? ? ? ? 111 ARG C CZ 1 +ATOM 4823 N NH1 . ARG C 1 112 ? 1.746 15.163 155.695 1.00 20.37 ? ? ? ? ? ? 111 ARG C NH1 1 +ATOM 4824 N NH2 . ARG C 1 112 ? 0.264 16.260 154.391 1.00 22.98 ? ? ? ? ? ? 111 ARG C NH2 1 +ATOM 4825 N N . LYS C 1 113 ? 3.650 14.661 162.383 1.00 19.83 ? ? ? ? ? ? 112 LYS C N 1 +ATOM 4826 C CA . LYS C 1 113 ? 4.226 14.793 163.726 1.00 20.20 ? ? ? ? ? ? 112 LYS C CA 1 +ATOM 4827 C C . LYS C 1 113 ? 5.460 13.932 163.880 1.00 19.32 ? ? ? ? ? ? 112 LYS C C 1 +ATOM 4828 O O . LYS C 1 113 ? 5.382 12.719 163.738 1.00 19.18 ? ? ? ? ? ? 112 LYS C O 1 +ATOM 4829 C CB . LYS C 1 113 ? 3.206 14.365 164.780 1.00 21.52 ? ? ? ? ? ? 112 LYS C CB 1 +ATOM 4830 C CG . LYS C 1 113 ? 2.093 15.400 164.957 1.00 25.89 ? ? ? ? ? ? 112 LYS C CG 1 +ATOM 4831 C CD . LYS C 1 113 ? 0.828 14.802 165.450 1.00 34.28 ? ? ? ? ? ? 112 LYS C CD 1 +ATOM 4832 C CE . LYS C 1 113 ? -0.268 15.878 165.486 1.00 40.21 ? ? ? ? ? ? 112 LYS C CE 1 +ATOM 4833 N NZ . LYS C 1 113 ? -1.556 15.281 165.912 1.00 43.65 ? ? ? ? ? ? 112 LYS C NZ 1 +ATOM 4834 N N . LEU C 1 114 ? 6.575 14.570 164.210 1.00 18.75 ? ? ? ? ? ? 113 LEU C N 1 +ATOM 4835 C CA . LEU C 1 114 ? 7.854 13.930 164.392 1.00 18.22 ? ? ? ? ? ? 113 LEU C CA 1 +ATOM 4836 C C . LEU C 1 114 ? 8.459 14.392 165.707 1.00 17.46 ? ? ? ? ? ? 113 LEU C C 1 +ATOM 4837 O O . LEU C 1 114 ? 8.395 15.572 166.028 1.00 19.10 ? ? ? ? ? ? 113 LEU C O 1 +ATOM 4838 C CB . LEU C 1 114 ? 8.778 14.291 163.220 1.00 15.27 ? ? ? ? ? ? 113 LEU C CB 1 +ATOM 4839 C CG . LEU C 1 114 ? 10.208 13.760 163.228 1.00 11.94 ? ? ? ? ? ? 113 LEU C CG 1 +ATOM 4840 C CD1 . LEU C 1 114 ? 10.339 12.169 163.066 1.00 12.22 ? ? ? ? ? ? 113 LEU C CD1 1 +ATOM 4841 C CD2 . LEU C 1 114 ? 10.984 14.486 162.158 1.00 17.85 ? ? ? ? ? ? 113 LEU C CD2 1 +ATOM 4842 N N . LEU C 1 115 ? 8.994 13.463 166.474 1.00 17.52 ? ? ? ? ? ? 114 LEU C N 1 +ATOM 4843 C CA . LEU C 1 115 ? 9.933 13.778 167.569 1.00 17.27 ? ? ? ? ? ? 114 LEU C CA 1 +ATOM 4844 C C . LEU C 1 115 ? 11.306 13.218 167.240 1.00 17.34 ? ? ? ? ? ? 114 LEU C C 1 +ATOM 4845 O O . LEU C 1 115 ? 11.441 12.020 167.030 1.00 17.74 ? ? ? ? ? ? 114 LEU C O 1 +ATOM 4846 C CB . LEU C 1 115 ? 9.467 13.176 168.902 1.00 15.72 ? ? ? ? ? ? 114 LEU C CB 1 +ATOM 4847 C CG . LEU C 1 115 ? 10.505 13.265 170.040 1.00 18.14 ? ? ? ? ? ? 114 LEU C CG 1 +ATOM 4848 C CD1 . LEU C 1 115 ? 10.678 14.715 170.522 1.00 15.81 ? ? ? ? ? ? 114 LEU C CD1 1 +ATOM 4849 C CD2 . LEU C 1 115 ? 10.189 12.302 171.167 1.00 13.13 ? ? ? ? ? ? 114 LEU C CD2 1 +ATOM 4850 N N . ILE C 1 116 ? 12.322 14.103 167.250 1.00 17.61 ? ? ? ? ? ? 115 ILE C N 1 +ATOM 4851 C CA . ILE C 1 116 ? 13.725 13.700 167.208 1.00 17.28 ? ? ? ? ? ? 115 ILE C CA 1 +ATOM 4852 C C . ILE C 1 116 ? 14.202 13.402 168.634 1.00 18.23 ? ? ? ? ? ? 115 ILE C C 1 +ATOM 4853 O O . ILE C 1 116 ? 14.212 14.283 169.502 1.00 18.11 ? ? ? ? ? ? 115 ILE C O 1 +ATOM 4854 C CB . ILE C 1 116 ? 14.637 14.773 166.553 1.00 15.24 ? ? ? ? ? ? 115 ILE C CB 1 +ATOM 4855 C CG1 . ILE C 1 116 ? 14.061 15.216 165.218 1.00 15.77 ? ? ? ? ? ? 115 ILE C CG1 1 +ATOM 4856 C CG2 . ILE C 1 116 ? 16.046 14.246 166.361 1.00 14.55 ? ? ? ? ? ? 115 ILE C CG2 1 +ATOM 4857 C CD1 . ILE C 1 116 ? 14.739 16.343 164.551 1.00 13.39 ? ? ? ? ? ? 115 ILE C CD1 1 +ATOM 4858 N N . LEU C 1 117 ? 14.570 12.149 168.894 1.00 17.51 ? ? ? ? ? ? 116 LEU C N 1 +ATOM 4859 C CA . LEU C 1 117 ? 15.093 11.801 170.219 1.00 16.95 ? ? ? ? ? ? 116 LEU C CA 1 +ATOM 4860 C C . LEU C 1 117 ? 16.607 11.583 170.068 1.00 17.89 ? ? ? ? ? ? 116 LEU C C 1 +ATOM 4861 O O . LEU C 1 117 ? 17.074 10.564 169.528 1.00 17.39 ? ? ? ? ? ? 116 LEU C O 1 +ATOM 4862 C CB . LEU C 1 117 ? 14.404 10.580 170.836 1.00 17.98 ? ? ? ? ? ? 116 LEU C CB 1 +ATOM 4863 C CG . LEU C 1 117 ? 14.670 10.325 172.322 1.00 17.96 ? ? ? ? ? ? 116 LEU C CG 1 +ATOM 4864 C CD1 . LEU C 1 117 ? 14.197 11.491 173.191 1.00 13.40 ? ? ? ? ? ? 116 LEU C CD1 1 +ATOM 4865 C CD2 . LEU C 1 117 ? 14.020 8.993 172.749 1.00 16.32 ? ? ? ? ? ? 116 LEU C CD2 1 +ATOM 4866 N N . SER C 1 118 ? 17.347 12.577 170.541 1.00 17.60 ? ? ? ? ? ? 117 SER C N 1 +ATOM 4867 C CA . SER C 1 118 ? 18.770 12.564 170.467 1.00 18.61 ? ? ? ? ? ? 117 SER C CA 1 +ATOM 4868 C C . SER C 1 118 ? 19.428 11.847 171.639 1.00 20.07 ? ? ? ? ? ? 117 SER C C 1 +ATOM 4869 O O . SER C 1 118 ? 18.969 11.933 172.765 1.00 20.52 ? ? ? ? ? ? 117 SER C O 1 +ATOM 4870 C CB . SER C 1 118 ? 19.316 13.991 170.364 1.00 16.43 ? ? ? ? ? ? 117 SER C CB 1 +ATOM 4871 O OG . SER C 1 118 ? 20.723 13.949 170.150 1.00 20.96 ? ? ? ? ? ? 117 SER C OG 1 +ATOM 4872 N N . GLY C 1 119 ? 20.493 11.115 171.323 1.00 20.81 ? ? ? ? ? ? 118 GLY C N 1 +ATOM 4873 C CA . GLY C 1 119 ? 21.332 10.437 172.292 1.00 20.65 ? ? ? ? ? ? 118 GLY C CA 1 +ATOM 4874 C C . GLY C 1 119 ? 22.674 11.099 172.422 1.00 20.14 ? ? ? ? ? ? 118 GLY C C 1 +ATOM 4875 O O . GLY C 1 119 ? 23.479 10.623 173.201 1.00 21.03 ? ? ? ? ? ? 118 GLY C O 1 +ATOM 4876 N N . HIS C 1 120 ? 22.904 12.197 171.676 1.00 19.59 ? ? ? ? ? ? 119 HIS C N 1 +ATOM 4877 C CA . HIS C 1 120 ? 24.203 12.837 171.638 1.00 20.98 ? ? ? ? ? ? 119 HIS C CA 1 +ATOM 4878 C C . HIS C 1 120 ? 24.023 14.347 171.799 1.00 22.56 ? ? ? ? ? ? 119 HIS C C 1 +ATOM 4879 O O . HIS C 1 120 ? 23.322 14.992 171.015 1.00 23.67 ? ? ? ? ? ? 119 HIS C O 1 +ATOM 4880 C CB . HIS C 1 120 ? 24.928 12.440 170.343 1.00 21.11 ? ? ? ? ? ? 119 HIS C CB 1 +ATOM 4881 C CG . HIS C 1 120 ? 26.180 13.204 170.065 1.00 17.97 ? ? ? ? ? ? 119 HIS C CG 1 +ATOM 4882 N ND1 . HIS C 1 120 ? 27.285 13.161 170.879 1.00 21.57 ? ? ? ? ? ? 119 HIS C ND1 1 +ATOM 4883 C CD2 . HIS C 1 120 ? 26.497 14.045 169.053 1.00 22.45 ? ? ? ? ? ? 119 HIS C CD2 1 +ATOM 4884 C CE1 . HIS C 1 120 ? 28.232 13.932 170.380 1.00 22.92 ? ? ? ? ? ? 119 HIS C CE1 1 +ATOM 4885 N NE2 . HIS C 1 120 ? 27.776 14.487 169.271 1.00 18.57 ? ? ? ? ? ? 119 HIS C NE2 1 +ATOM 4886 N N . GLY C 1 121 ? 24.667 14.893 172.836 1.00 22.87 ? ? ? ? ? ? 120 GLY C N 1 +ATOM 4887 C CA . GLY C 1 121 ? 24.529 16.278 173.222 1.00 22.95 ? ? ? ? ? ? 120 GLY C CA 1 +ATOM 4888 C C . GLY C 1 121 ? 25.093 17.249 172.216 1.00 23.57 ? ? ? ? ? ? 120 GLY C C 1 +ATOM 4889 O O . GLY C 1 121 ? 24.658 18.419 172.158 1.00 24.40 ? ? ? ? ? ? 120 GLY C O 1 +ATOM 4890 N N . GLY C 1 122 ? 26.060 16.769 171.423 1.00 23.65 ? ? ? ? ? ? 121 GLY C N 1 +ATOM 4891 C CA . GLY C 1 122 ? 26.691 17.571 170.385 1.00 22.61 ? ? ? ? ? ? 121 GLY C CA 1 +ATOM 4892 C C . GLY C 1 122 ? 25.807 17.814 169.169 1.00 22.80 ? ? ? ? ? ? 121 GLY C C 1 +ATOM 4893 O O . GLY C 1 122 ? 26.109 18.670 168.347 1.00 22.96 ? ? ? ? ? ? 121 GLY C O 1 +ATOM 4894 N N . ASN C 1 123 ? 24.695 17.064 169.072 1.00 23.02 ? ? ? ? ? ? 122 ASN C N 1 +ATOM 4895 C CA . ASN C 1 123 ? 23.646 17.309 168.091 1.00 21.47 ? ? ? ? ? ? 122 ASN C CA 1 +ATOM 4896 C C . ASN C 1 123 ? 22.720 18.449 168.567 1.00 22.42 ? ? ? ? ? ? 122 ASN C C 1 +ATOM 4897 O O . ASN C 1 123 ? 22.267 18.489 169.727 1.00 21.62 ? ? ? ? ? ? 122 ASN C O 1 +ATOM 4898 C CB . ASN C 1 123 ? 22.804 16.049 167.852 1.00 21.62 ? ? ? ? ? ? 122 ASN C CB 1 +ATOM 4899 C CG . ASN C 1 123 ? 23.583 14.921 167.268 1.00 19.69 ? ? ? ? ? ? 122 ASN C CG 1 +ATOM 4900 O OD1 . ASN C 1 123 ? 24.547 15.122 166.559 1.00 22.13 ? ? ? ? ? ? 122 ASN C OD1 1 +ATOM 4901 N ND2 . ASN C 1 123 ? 23.169 13.720 167.561 1.00 15.54 ? ? ? ? ? ? 122 ASN C ND2 1 +ATOM 4902 N N . ASN C 1 124 ? 22.430 19.350 167.633 1.00 21.38 ? ? ? ? ? ? 123 ASN C N 1 +ATOM 4903 C CA . ASN C 1 124 ? 21.615 20.510 167.858 1.00 22.56 ? ? ? ? ? ? 123 ASN C CA 1 +ATOM 4904 C C . ASN C 1 124 ? 20.684 20.669 166.671 1.00 20.95 ? ? ? ? ? ? 123 ASN C C 1 +ATOM 4905 O O . ASN C 1 124 ? 21.162 20.794 165.558 1.00 21.63 ? ? ? ? ? ? 123 ASN C O 1 +ATOM 4906 C CB . ASN C 1 124 ? 22.530 21.733 168.011 1.00 25.47 ? ? ? ? ? ? 123 ASN C CB 1 +ATOM 4907 C CG . ASN C 1 124 ? 23.175 21.801 169.404 1.00 30.39 ? ? ? ? ? ? 123 ASN C CG 1 +ATOM 4908 O OD1 . ASN C 1 124 ? 22.480 22.036 170.394 1.00 38.74 ? ? ? ? ? ? 123 ASN C OD1 1 +ATOM 4909 N ND2 . ASN C 1 124 ? 24.500 21.579 169.485 1.00 31.48 ? ? ? ? ? ? 123 ASN C ND2 1 +ATOM 4910 N N . PHE C 1 125 ? 19.370 20.653 166.909 1.00 20.19 ? ? ? ? ? ? 124 PHE C N 1 +ATOM 4911 C CA . PHE C 1 125 ? 18.360 20.607 165.835 1.00 19.23 ? ? ? ? ? ? 124 PHE C CA 1 +ATOM 4912 C C . PHE C 1 125 ? 17.443 21.817 165.769 1.00 19.11 ? ? ? ? ? ? 124 PHE C C 1 +ATOM 4913 O O . PHE C 1 125 ? 16.551 21.853 164.919 1.00 19.23 ? ? ? ? ? ? 124 PHE C O 1 +ATOM 4914 C CB . PHE C 1 125 ? 17.459 19.377 166.023 1.00 19.45 ? ? ? ? ? ? 124 PHE C CB 1 +ATOM 4915 C CG . PHE C 1 125 ? 18.192 18.088 165.993 1.00 18.90 ? ? ? ? ? ? 124 PHE C CG 1 +ATOM 4916 C CD1 . PHE C 1 125 ? 18.569 17.529 164.787 1.00 17.31 ? ? ? ? ? ? 124 PHE C CD1 1 +ATOM 4917 C CD2 . PHE C 1 125 ? 18.531 17.444 167.162 1.00 17.13 ? ? ? ? ? ? 124 PHE C CD2 1 +ATOM 4918 C CE1 . PHE C 1 125 ? 19.285 16.390 164.740 1.00 17.45 ? ? ? ? ? ? 124 PHE C CE1 1 +ATOM 4919 C CE2 . PHE C 1 125 ? 19.230 16.270 167.125 1.00 14.26 ? ? ? ? ? ? 124 PHE C CE2 1 +ATOM 4920 C CZ . PHE C 1 125 ? 19.627 15.749 165.915 1.00 20.02 ? ? ? ? ? ? 124 PHE C CZ 1 +ATOM 4921 N N . LYS C 1 126 ? 17.642 22.807 166.641 1.00 19.24 ? ? ? ? ? ? 125 LYS C N 1 +ATOM 4922 C CA . LYS C 1 126 ? 16.713 23.951 166.715 1.00 18.87 ? ? ? ? ? ? 125 LYS C CA 1 +ATOM 4923 C C . LYS C 1 126 ? 16.666 24.737 165.433 1.00 18.69 ? ? ? ? ? ? 125 LYS C C 1 +ATOM 4924 O O . LYS C 1 126 ? 15.563 25.087 164.943 1.00 20.34 ? ? ? ? ? ? 125 LYS C O 1 +ATOM 4925 C CB . LYS C 1 126 ? 17.068 24.885 167.885 1.00 17.43 ? ? ? ? ? ? 125 LYS C CB 1 +ATOM 4926 C CG . LYS C 1 126 ? 16.861 24.210 169.229 1.00 17.34 ? ? ? ? ? ? 125 LYS C CG 1 +ATOM 4927 C CD . LYS C 1 126 ? 17.091 25.160 170.363 1.00 20.71 ? ? ? ? ? ? 125 LYS C CD 1 +ATOM 4928 C CE . LYS C 1 126 ? 16.855 24.483 171.704 1.00 26.50 ? ? ? ? ? ? 125 LYS C CE 1 +ATOM 4929 N NZ . LYS C 1 126 ? 16.733 25.489 172.801 1.00 32.52 ? ? ? ? ? ? 125 LYS C NZ 1 +ATOM 4930 N N . GLY C 1 127 ? 17.846 25.008 164.882 1.00 17.82 ? ? ? ? ? ? 126 GLY C N 1 +ATOM 4931 C CA . GLY C 1 127 ? 17.969 25.710 163.599 1.00 18.44 ? ? ? ? ? ? 126 GLY C CA 1 +ATOM 4932 C C . GLY C 1 127 ? 17.284 24.981 162.439 1.00 19.34 ? ? ? ? ? ? 126 GLY C C 1 +ATOM 4933 O O . GLY C 1 127 ? 16.558 25.590 161.667 1.00 17.37 ? ? ? ? ? ? 126 GLY C O 1 +ATOM 4934 N N . MSE C 1 128 ? 17.546 23.673 162.326 1.00 19.66 ? ? ? ? ? ? 127 MSE C N 1 +ATOM 4935 C CA . MSE C 1 128 ? 16.941 22.815 161.302 1.00 19.23 ? ? ? ? ? ? 127 MSE C CA 1 +ATOM 4936 C C . MSE C 1 128 ? 15.439 22.787 161.427 1.00 18.05 ? ? ? ? ? ? 127 MSE C C 1 +ATOM 4937 O O . MSE C 1 128 ? 14.715 22.812 160.433 1.00 17.29 ? ? ? ? ? ? 127 MSE C O 1 +ATOM 4938 C CB . MSE C 1 128 ? 17.433 21.377 161.458 1.00 17.87 ? ? ? ? ? ? 127 MSE C CB 1 +ATOM 4939 C CG . MSE C 1 128 ? 18.868 21.180 161.213 1.00 23.44 ? ? ? ? ? ? 127 MSE C CG 1 +ATOM 4940 SE SE . MSE C 1 128 ? 19.381 19.326 161.440 0.75 16.46 ? ? ? ? ? ? 127 MSE C SE 1 +ATOM 4941 C CE . MSE C 1 128 ? 21.173 19.617 162.098 1.00 14.20 ? ? ? ? ? ? 127 MSE C CE 1 +ATOM 4942 N N . ILE C 1 129 ? 14.971 22.693 162.661 1.00 18.41 ? ? ? ? ? ? 128 ILE C N 1 +ATOM 4943 C CA . ILE C 1 129 ? 13.523 22.733 162.948 1.00 18.39 ? ? ? ? ? ? 128 ILE C CA 1 +ATOM 4944 C C . ILE C 1 129 ? 12.920 24.094 162.545 1.00 18.27 ? ? ? ? ? ? 128 ILE C C 1 +ATOM 4945 O O . ILE C 1 129 ? 11.837 24.143 161.920 1.00 18.19 ? ? ? ? ? ? 128 ILE C O 1 +ATOM 4946 C CB . ILE C 1 129 ? 13.234 22.360 164.441 1.00 17.44 ? ? ? ? ? ? 128 ILE C CB 1 +ATOM 4947 C CG1 . ILE C 1 129 ? 13.528 20.878 164.651 1.00 19.51 ? ? ? ? ? ? 128 ILE C CG1 1 +ATOM 4948 C CG2 . ILE C 1 129 ? 11.758 22.692 164.840 1.00 17.99 ? ? ? ? ? ? 128 ILE C CG2 1 +ATOM 4949 C CD1 . ILE C 1 129 ? 13.455 20.406 166.112 1.00 16.90 ? ? ? ? ? ? 128 ILE C CD1 1 +ATOM 4950 N N . ARG C 1 130 ? 13.634 25.189 162.821 1.00 18.01 ? ? ? ? ? ? 129 ARG C N 1 +ATOM 4951 C CA . ARG C 1 130 ? 13.144 26.516 162.426 1.00 18.49 ? ? ? ? ? ? 129 ARG C CA 1 +ATOM 4952 C C . ARG C 1 130 ? 13.028 26.672 160.924 1.00 19.13 ? ? ? ? ? ? 129 ARG C C 1 +ATOM 4953 O O . ARG C 1 130 ? 12.023 27.133 160.419 1.00 20.58 ? ? ? ? ? ? 129 ARG C O 1 +ATOM 4954 C CB . ARG C 1 130 ? 14.047 27.623 162.962 1.00 20.47 ? ? ? ? ? ? 129 ARG C CB 1 +ATOM 4955 C CG . ARG C 1 130 ? 13.831 27.896 164.438 1.00 22.16 ? ? ? ? ? ? 129 ARG C CG 1 +ATOM 4956 C CD . ARG C 1 130 ? 14.469 29.168 164.834 1.00 22.84 ? ? ? ? ? ? 129 ARG C CD 1 +ATOM 4957 N NE . ARG C 1 130 ? 14.025 29.591 166.168 1.00 23.88 ? ? ? ? ? ? 129 ARG C NE 1 +ATOM 4958 C CZ . ARG C 1 130 ? 14.670 29.307 167.300 1.00 22.60 ? ? ? ? ? ? 129 ARG C CZ 1 +ATOM 4959 N NH1 . ARG C 1 130 ? 15.780 28.592 167.283 1.00 28.67 ? ? ? ? ? ? 129 ARG C NH1 1 +ATOM 4960 N NH2 . ARG C 1 130 ? 14.209 29.743 168.463 1.00 24.74 ? ? ? ? ? ? 129 ARG C NH2 1 +ATOM 4961 N N . ASP C 1 131 ? 14.046 26.240 160.204 1.00 19.18 ? ? ? ? ? ? 130 ASP C N 1 +ATOM 4962 C CA . ASP C 1 131 ? 14.027 26.337 158.757 1.00 19.28 ? ? ? ? ? ? 130 ASP C CA 1 +ATOM 4963 C C . ASP C 1 131 ? 12.994 25.435 158.104 1.00 19.85 ? ? ? ? ? ? 130 ASP C C 1 +ATOM 4964 O O . ASP C 1 131 ? 12.443 25.805 157.058 1.00 20.87 ? ? ? ? ? ? 130 ASP C O 1 +ATOM 4965 C CB . ASP C 1 131 ? 15.413 26.090 158.185 1.00 19.99 ? ? ? ? ? ? 130 ASP C CB 1 +ATOM 4966 C CG . ASP C 1 131 ? 16.433 27.141 158.643 1.00 25.03 ? ? ? ? ? ? 130 ASP C CG 1 +ATOM 4967 O OD1 . ASP C 1 131 ? 16.027 28.275 159.014 1.00 24.33 ? ? ? ? ? ? 130 ASP C OD1 1 +ATOM 4968 O OD2 . ASP C 1 131 ? 17.634 26.830 158.622 1.00 22.35 ? ? ? ? ? ? 130 ASP C OD2 1 +ATOM 4969 N N . LEU C 1 132 ? 12.740 24.266 158.692 1.00 19.62 ? ? ? ? ? ? 131 LEU C N 1 +ATOM 4970 C CA . LEU C 1 132 ? 11.780 23.329 158.163 1.00 19.70 ? ? ? ? ? ? 131 LEU C CA 1 +ATOM 4971 C C . LEU C 1 132 ? 10.340 23.756 158.452 1.00 20.72 ? ? ? ? ? ? 131 LEU C C 1 +ATOM 4972 O O . LEU C 1 132 ? 9.425 23.348 157.755 1.00 20.74 ? ? ? ? ? ? 131 LEU C O 1 +ATOM 4973 C CB . LEU C 1 132 ? 12.039 21.914 158.714 1.00 17.85 ? ? ? ? ? ? 131 LEU C CB 1 +ATOM 4974 C CG . LEU C 1 132 ? 13.107 21.085 158.000 1.00 23.01 ? ? ? ? ? ? 131 LEU C CG 1 +ATOM 4975 C CD1 . LEU C 1 132 ? 13.566 19.940 158.867 1.00 21.24 ? ? ? ? ? ? 131 LEU C CD1 1 +ATOM 4976 C CD2 . LEU C 1 132 ? 12.611 20.594 156.598 1.00 15.93 ? ? ? ? ? ? 131 LEU C CD2 1 +ATOM 4977 N N . ALA C 1 133 ? 10.137 24.571 159.482 1.00 21.51 ? ? ? ? ? ? 132 ALA C N 1 +ATOM 4978 C CA . ALA C 1 133 ? 8.782 25.014 159.857 1.00 21.92 ? ? ? ? ? ? 132 ALA C CA 1 +ATOM 4979 C C . ALA C 1 133 ? 8.237 25.930 158.795 1.00 22.14 ? ? ? ? ? ? 132 ALA C C 1 +ATOM 4980 O O . ALA C 1 133 ? 7.030 25.980 158.588 1.00 24.20 ? ? ? ? ? ? 132 ALA C O 1 +ATOM 4981 C CB . ALA C 1 133 ? 8.785 25.735 161.204 1.00 20.21 ? ? ? ? ? ? 132 ALA C CB 1 +ATOM 4982 N N . PHE C 1 134 ? 9.131 26.653 158.126 1.00 24.15 ? ? ? ? ? ? 133 PHE C N 1 +ATOM 4983 C CA . PHE C 1 134 ? 8.759 27.515 157.007 1.00 25.50 ? ? ? ? ? ? 133 PHE C CA 1 +ATOM 4984 C C . PHE C 1 134 ? 8.467 26.705 155.708 1.00 26.37 ? ? ? ? ? ? 133 PHE C C 1 +ATOM 4985 O O . PHE C 1 134 ? 7.477 26.980 154.998 1.00 27.65 ? ? ? ? ? ? 133 PHE C O 1 +ATOM 4986 C CB . PHE C 1 134 ? 9.848 28.597 156.829 1.00 27.01 ? ? ? ? ? ? 133 PHE C CB 1 +ATOM 4987 C CG . PHE C 1 134 ? 9.993 29.554 158.059 1.00 26.14 ? ? ? ? ? ? 133 PHE C CG 1 +ATOM 4988 C CD1 . PHE C 1 134 ? 8.924 30.339 158.490 1.00 28.83 ? ? ? ? ? ? 133 PHE C CD1 1 +ATOM 4989 C CD2 . PHE C 1 134 ? 11.185 29.654 158.758 1.00 25.64 ? ? ? ? ? ? 133 PHE C CD2 1 +ATOM 4990 C CE1 . PHE C 1 134 ? 9.044 31.198 159.575 1.00 23.70 ? ? ? ? ? ? 133 PHE C CE1 1 +ATOM 4991 C CE2 . PHE C 1 134 ? 11.303 30.511 159.857 1.00 26.68 ? ? ? ? ? ? 133 PHE C CE2 1 +ATOM 4992 C CZ . PHE C 1 134 ? 10.234 31.295 160.247 1.00 24.22 ? ? ? ? ? ? 133 PHE C CZ 1 +ATOM 4993 N N . GLU C 1 135 ? 9.273 25.671 155.444 1.00 26.85 ? ? ? ? ? ? 134 GLU C N 1 +ATOM 4994 C CA . GLU C 1 135 ? 9.072 24.788 154.313 1.00 27.70 ? ? ? ? ? ? 134 GLU C CA 1 +ATOM 4995 C C . GLU C 1 135 ? 7.865 23.847 154.449 1.00 26.03 ? ? ? ? ? ? 134 GLU C C 1 +ATOM 4996 O O . GLU C 1 135 ? 7.209 23.557 153.466 1.00 25.01 ? ? ? ? ? ? 134 GLU C O 1 +ATOM 4997 C CB . GLU C 1 135 ? 10.290 23.897 154.124 1.00 29.39 ? ? ? ? ? ? 134 GLU C CB 1 +ATOM 4998 C CG . GLU C 1 135 ? 11.545 24.546 153.577 1.00 36.83 ? ? ? ? ? ? 134 GLU C CG 1 +ATOM 4999 C CD . GLU C 1 135 ? 12.579 23.475 153.217 1.00 40.32 ? ? ? ? ? ? 134 GLU C CD 1 +ATOM 5000 O OE1 . GLU C 1 135 ? 12.373 22.799 152.168 1.00 56.04 ? ? ? ? ? ? 134 GLU C OE1 1 +ATOM 5001 O OE2 . GLU C 1 135 ? 13.560 23.289 154.001 1.00 50.77 ? ? ? ? ? ? 134 GLU C OE2 1 +ATOM 5002 N N . TYR C 1 136 ? 7.631 23.320 155.656 1.00 23.62 ? ? ? ? ? ? 135 TYR C N 1 +ATOM 5003 C CA . TYR C 1 136 ? 6.549 22.386 155.924 1.00 22.18 ? ? ? ? ? ? 135 TYR C CA 1 +ATOM 5004 C C . TYR C 1 136 ? 5.724 22.909 157.115 1.00 22.82 ? ? ? ? ? ? 135 TYR C C 1 +ATOM 5005 O O . TYR C 1 136 ? 5.804 22.373 158.221 1.00 21.14 ? ? ? ? ? ? 135 TYR C O 1 +ATOM 5006 C CB . TYR C 1 136 ? 7.107 20.987 156.245 1.00 22.88 ? ? ? ? ? ? 135 TYR C CB 1 +ATOM 5007 C CG . TYR C 1 136 ? 7.905 20.323 155.133 1.00 20.84 ? ? ? ? ? ? 135 TYR C CG 1 +ATOM 5008 C CD1 . TYR C 1 136 ? 7.285 19.596 154.142 1.00 20.58 ? ? ? ? ? ? 135 TYR C CD1 1 +ATOM 5009 C CD2 . TYR C 1 136 ? 9.280 20.432 155.090 1.00 24.39 ? ? ? ? ? ? 135 TYR C CD2 1 +ATOM 5010 C CE1 . TYR C 1 136 ? 8.005 18.985 153.116 1.00 21.66 ? ? ? ? ? ? 135 TYR C CE1 1 +ATOM 5011 C CE2 . TYR C 1 136 ? 10.019 19.849 154.070 1.00 18.94 ? ? ? ? ? ? 135 TYR C CE2 1 +ATOM 5012 C CZ . TYR C 1 136 ? 9.382 19.120 153.097 1.00 23.17 ? ? ? ? ? ? 135 TYR C CZ 1 +ATOM 5013 O OH . TYR C 1 136 ? 10.131 18.544 152.096 1.00 22.64 ? ? ? ? ? ? 135 TYR C OH 1 +ATOM 5014 N N . PRO C 1 137 ? 4.897 23.925 156.891 1.00 24.54 ? ? ? ? ? ? 136 PRO C N 1 +ATOM 5015 C CA . PRO C 1 137 ? 4.166 24.551 158.015 1.00 25.67 ? ? ? ? ? ? 136 PRO C CA 1 +ATOM 5016 C C . PRO C 1 137 ? 3.153 23.685 158.732 1.00 25.69 ? ? ? ? ? ? 136 PRO C C 1 +ATOM 5017 O O . PRO C 1 137 ? 2.724 24.040 159.805 1.00 26.82 ? ? ? ? ? ? 136 PRO C O 1 +ATOM 5018 C CB . PRO C 1 137 ? 3.453 25.750 157.373 1.00 25.33 ? ? ? ? ? ? 136 PRO C CB 1 +ATOM 5019 C CG . PRO C 1 137 ? 4.045 25.888 155.984 1.00 26.98 ? ? ? ? ? ? 136 PRO C CG 1 +ATOM 5020 C CD . PRO C 1 137 ? 4.608 24.572 155.596 1.00 25.65 ? ? ? ? ? ? 136 PRO C CD 1 +ATOM 5021 N N . ASP C 1 138 ? 2.757 22.571 158.128 1.00 25.70 ? ? ? ? ? ? 137 ASP C N 1 +ATOM 5022 C CA . ASP C 1 138 ? 1.764 21.675 158.715 1.00 25.95 ? ? ? ? ? ? 137 ASP C CA 1 +ATOM 5023 C C . ASP C 1 138 ? 2.439 20.465 159.375 1.00 24.36 ? ? ? ? ? ? 137 ASP C C 1 +ATOM 5024 O O . ASP C 1 138 ? 1.762 19.527 159.790 1.00 23.74 ? ? ? ? ? ? 137 ASP C O 1 +ATOM 5025 C CB . ASP C 1 138 ? 0.758 21.216 157.635 1.00 28.08 ? ? ? ? ? ? 137 ASP C CB 1 +ATOM 5026 C CG . ASP C 1 138 ? 1.433 20.585 156.399 1.00 30.92 ? ? ? ? ? ? 137 ASP C CG 1 +ATOM 5027 O OD1 . ASP C 1 138 ? 2.682 20.623 156.251 1.00 32.00 ? ? ? ? ? ? 137 ASP C OD1 1 +ATOM 5028 O OD2 . ASP C 1 138 ? 0.692 20.085 155.538 1.00 42.18 ? ? ? ? ? ? 137 ASP C OD2 1 +ATOM 5029 N N . PHE C 1 139 ? 3.764 20.495 159.488 1.00 23.01 ? ? ? ? ? ? 138 PHE C N 1 +ATOM 5030 C CA . PHE C 1 139 ? 4.539 19.376 160.035 1.00 21.31 ? ? ? ? ? ? 138 PHE C CA 1 +ATOM 5031 C C . PHE C 1 139 ? 5.178 19.812 161.366 1.00 21.28 ? ? ? ? ? ? 138 PHE C C 1 +ATOM 5032 O O . PHE C 1 139 ? 6.070 20.640 161.373 1.00 21.68 ? ? ? ? ? ? 138 PHE C O 1 +ATOM 5033 C CB . PHE C 1 139 ? 5.625 18.951 159.023 1.00 21.00 ? ? ? ? ? ? 138 PHE C CB 1 +ATOM 5034 C CG . PHE C 1 139 ? 6.162 17.541 159.204 1.00 17.78 ? ? ? ? ? ? 138 PHE C CG 1 +ATOM 5035 C CD1 . PHE C 1 139 ? 7.140 17.266 160.120 1.00 32.06 ? ? ? ? ? ? 138 PHE C CD1 1 +ATOM 5036 C CD2 . PHE C 1 139 ? 5.773 16.525 158.378 1.00 22.45 ? ? ? ? ? ? 138 PHE C CD2 1 +ATOM 5037 C CE1 . PHE C 1 139 ? 7.677 15.976 160.242 1.00 31.20 ? ? ? ? ? ? 138 PHE C CE1 1 +ATOM 5038 C CE2 . PHE C 1 139 ? 6.301 15.247 158.505 1.00 23.88 ? ? ? ? ? ? 138 PHE C CE2 1 +ATOM 5039 C CZ . PHE C 1 139 ? 7.245 14.976 159.423 1.00 22.06 ? ? ? ? ? ? 138 PHE C CZ 1 +ATOM 5040 N N . LEU C 1 140 ? 4.719 19.240 162.481 1.00 21.27 ? ? ? ? ? ? 139 LEU C N 1 +ATOM 5041 C CA . LEU C 1 140 ? 5.277 19.534 163.770 1.00 21.54 ? ? ? ? ? ? 139 LEU C CA 1 +ATOM 5042 C C . LEU C 1 140 ? 6.525 18.692 164.001 1.00 21.14 ? ? ? ? ? ? 139 LEU C C 1 +ATOM 5043 O O . LEU C 1 140 ? 6.448 17.474 163.922 1.00 22.06 ? ? ? ? ? ? 139 LEU C O 1 +ATOM 5044 C CB . LEU C 1 140 ? 4.256 19.224 164.867 1.00 23.79 ? ? ? ? ? ? 139 LEU C CB 1 +ATOM 5045 C CG . LEU C 1 140 ? 4.599 19.466 166.351 1.00 23.75 ? ? ? ? ? ? 139 LEU C CG 1 +ATOM 5046 C CD1 . LEU C 1 140 ? 4.810 20.910 166.587 1.00 22.32 ? ? ? ? ? ? 139 LEU C CD1 1 +ATOM 5047 C CD2 . LEU C 1 140 ? 3.465 18.903 167.262 1.00 21.57 ? ? ? ? ? ? 139 LEU C CD2 1 +ATOM 5048 N N . ILE C 1 141 ? 7.653 19.330 164.294 1.00 19.42 ? ? ? ? ? ? 140 ILE C N 1 +ATOM 5049 C CA . ILE C 1 141 ? 8.864 18.618 164.676 1.00 19.00 ? ? ? ? ? ? 140 ILE C CA 1 +ATOM 5050 C C . ILE C 1 141 ? 9.286 19.129 166.050 1.00 19.15 ? ? ? ? ? ? 140 ILE C C 1 +ATOM 5051 O O . ILE C 1 141 ? 9.437 20.353 166.265 1.00 18.74 ? ? ? ? ? ? 140 ILE C O 1 +ATOM 5052 C CB . ILE C 1 141 ? 10.017 18.816 163.666 1.00 17.79 ? ? ? ? ? ? 140 ILE C CB 1 +ATOM 5053 C CG1 . ILE C 1 141 ? 9.603 18.449 162.248 1.00 19.09 ? ? ? ? ? ? 140 ILE C CG1 1 +ATOM 5054 C CG2 . ILE C 1 141 ? 11.239 18.065 164.074 1.00 12.64 ? ? ? ? ? ? 140 ILE C CG2 1 +ATOM 5055 C CD1 . ILE C 1 141 ? 10.746 18.766 161.216 1.00 15.85 ? ? ? ? ? ? 140 ILE C CD1 1 +ATOM 5056 N N . ALA C 1 142 ? 9.452 18.186 166.987 1.00 19.24 ? ? ? ? ? ? 141 ALA C N 1 +ATOM 5057 C CA . ALA C 1 142 ? 9.938 18.472 168.327 1.00 18.31 ? ? ? ? ? ? 141 ALA C CA 1 +ATOM 5058 C C . ALA C 1 142 ? 11.294 17.785 168.474 1.00 18.08 ? ? ? ? ? ? 141 ALA C C 1 +ATOM 5059 O O . ALA C 1 142 ? 11.579 16.858 167.746 1.00 19.15 ? ? ? ? ? ? 141 ALA C O 1 +ATOM 5060 C CB . ALA C 1 142 ? 8.897 17.962 169.391 1.00 15.74 ? ? ? ? ? ? 141 ALA C CB 1 +ATOM 5061 N N . ALA C 1 143 ? 12.135 18.245 169.397 1.00 17.96 ? ? ? ? ? ? 142 ALA C N 1 +ATOM 5062 C CA . ALA C 1 143 ? 13.453 17.614 169.693 1.00 18.54 ? ? ? ? ? ? 142 ALA C CA 1 +ATOM 5063 C C . ALA C 1 143 ? 13.722 17.586 171.199 1.00 18.89 ? ? ? ? ? ? 142 ALA C C 1 +ATOM 5064 O O . ALA C 1 143 ? 13.454 18.578 171.885 1.00 19.58 ? ? ? ? ? ? 142 ALA C O 1 +ATOM 5065 C CB . ALA C 1 143 ? 14.622 18.345 168.978 1.00 14.78 ? ? ? ? ? ? 142 ALA C CB 1 +ATOM 5066 N N . ALA C 1 144 ? 14.311 16.476 171.654 1.00 19.52 ? ? ? ? ? ? 143 ALA C N 1 +ATOM 5067 C CA . ALA C 1 144 ? 14.737 16.244 173.021 1.00 20.39 ? ? ? ? ? ? 143 ALA C CA 1 +ATOM 5068 C C . ALA C 1 144 ? 15.991 15.358 173.041 1.00 20.51 ? ? ? ? ? ? 143 ALA C C 1 +ATOM 5069 O O . ALA C 1 144 ? 16.170 14.456 172.210 1.00 19.38 ? ? ? ? ? ? 143 ALA C O 1 +ATOM 5070 C CB . ALA C 1 144 ? 13.637 15.595 173.824 1.00 18.04 ? ? ? ? ? ? 143 ALA C CB 1 +ATOM 5071 N N . ASN C 1 145 ? 16.868 15.629 173.993 1.00 20.56 ? ? ? ? ? ? 144 ASN C N 1 +ATOM 5072 C CA . ASN C 1 145 ? 17.880 14.662 174.394 1.00 21.45 ? ? ? ? ? ? 144 ASN C CA 1 +ATOM 5073 C C . ASN C 1 145 ? 17.261 13.729 175.443 1.00 21.01 ? ? ? ? ? ? 144 ASN C C 1 +ATOM 5074 O O . ASN C 1 145 ? 16.672 14.208 176.397 1.00 21.54 ? ? ? ? ? ? 144 ASN C O 1 +ATOM 5075 C CB . ASN C 1 145 ? 19.071 15.385 175.009 1.00 21.03 ? ? ? ? ? ? 144 ASN C CB 1 +ATOM 5076 C CG . ASN C 1 145 ? 19.931 16.131 173.986 1.00 24.41 ? ? ? ? ? ? 144 ASN C CG 1 +ATOM 5077 O OD1 . ASN C 1 145 ? 20.427 15.552 173.034 1.00 25.20 ? ? ? ? ? ? 144 ASN C OD1 1 +ATOM 5078 N ND2 . ASN C 1 145 ? 20.148 17.412 174.221 1.00 21.74 ? ? ? ? ? ? 144 ASN C ND2 1 +ATOM 5079 N N . TRP C 1 146 ? 17.398 12.415 175.313 1.00 19.61 ? ? ? ? ? ? 145 TRP C N 1 +ATOM 5080 C CA . TRP C 1 146 ? 16.710 11.521 176.234 1.00 20.26 ? ? ? ? ? ? 145 TRP C CA 1 +ATOM 5081 C C . TRP C 1 146 ? 17.140 11.729 177.682 1.00 20.61 ? ? ? ? ? ? 145 TRP C C 1 +ATOM 5082 O O . TRP C 1 146 ? 16.320 11.572 178.608 1.00 20.55 ? ? ? ? ? ? 145 TRP C O 1 +ATOM 5083 C CB . TRP C 1 146 ? 16.839 10.056 175.827 1.00 19.12 ? ? ? ? ? ? 145 TRP C CB 1 +ATOM 5084 C CG . TRP C 1 146 ? 18.177 9.490 176.043 1.00 18.82 ? ? ? ? ? ? 145 TRP C CG 1 +ATOM 5085 C CD1 . TRP C 1 146 ? 19.193 9.416 175.130 1.00 17.73 ? ? ? ? ? ? 145 TRP C CD1 1 +ATOM 5086 C CD2 . TRP C 1 146 ? 18.686 8.951 177.262 1.00 21.23 ? ? ? ? ? ? 145 TRP C CD2 1 +ATOM 5087 N NE1 . TRP C 1 146 ? 20.296 8.852 175.703 1.00 21.90 ? ? ? ? ? ? 145 TRP C NE1 1 +ATOM 5088 C CE2 . TRP C 1 146 ? 20.013 8.549 177.014 1.00 20.52 ? ? ? ? ? ? 145 TRP C CE2 1 +ATOM 5089 C CE3 . TRP C 1 146 ? 18.158 8.785 178.550 1.00 21.70 ? ? ? ? ? ? 145 TRP C CE3 1 +ATOM 5090 C CZ2 . TRP C 1 146 ? 20.809 7.975 177.992 1.00 19.50 ? ? ? ? ? ? 145 TRP C CZ2 1 +ATOM 5091 C CZ3 . TRP C 1 146 ? 18.968 8.191 179.529 1.00 21.87 ? ? ? ? ? ? 145 TRP C CZ3 1 +ATOM 5092 C CH2 . TRP C 1 146 ? 20.279 7.827 179.246 1.00 20.16 ? ? ? ? ? ? 145 TRP C CH2 1 +ATOM 5093 N N . PHE C 1 147 ? 18.410 12.099 177.860 1.00 21.21 ? ? ? ? ? ? 146 PHE C N 1 +ATOM 5094 C CA . PHE C 1 147 ? 19.031 12.265 179.164 1.00 21.04 ? ? ? ? ? ? 146 PHE C CA 1 +ATOM 5095 C C . PHE C 1 147 ? 18.749 13.624 179.796 1.00 21.62 ? ? ? ? ? ? 146 PHE C C 1 +ATOM 5096 O O . PHE C 1 147 ? 19.243 13.908 180.866 1.00 23.38 ? ? ? ? ? ? 146 PHE C O 1 +ATOM 5097 C CB . PHE C 1 147 ? 20.547 12.047 179.076 1.00 19.22 ? ? ? ? ? ? 146 PHE C CB 1 +ATOM 5098 C CG . PHE C 1 147 ? 21.195 12.813 177.981 1.00 21.98 ? ? ? ? ? ? 146 PHE C CG 1 +ATOM 5099 C CD1 . PHE C 1 147 ? 21.532 14.148 178.151 1.00 21.46 ? ? ? ? ? ? 146 PHE C CD1 1 +ATOM 5100 C CD2 . PHE C 1 147 ? 21.437 12.216 176.754 1.00 21.59 ? ? ? ? ? ? 146 PHE C CD2 1 +ATOM 5101 C CE1 . PHE C 1 147 ? 22.140 14.870 177.134 1.00 25.99 ? ? ? ? ? ? 146 PHE C CE1 1 +ATOM 5102 C CE2 . PHE C 1 147 ? 22.009 12.936 175.722 1.00 24.29 ? ? ? ? ? ? 146 PHE C CE2 1 +ATOM 5103 C CZ . PHE C 1 147 ? 22.360 14.259 175.905 1.00 27.63 ? ? ? ? ? ? 146 PHE C CZ 1 +ATOM 5104 N N . GLU C 1 148 ? 17.976 14.459 179.127 1.00 21.48 ? ? ? ? ? ? 147 GLU C N 1 +ATOM 5105 C CA . GLU C 1 148 ? 17.512 15.696 179.681 1.00 21.62 ? ? ? ? ? ? 147 GLU C CA 1 +ATOM 5106 C C . GLU C 1 148 ? 16.029 15.688 180.017 1.00 22.20 ? ? ? ? ? ? 147 GLU C C 1 +ATOM 5107 O O . GLU C 1 148 ? 15.515 16.647 180.582 1.00 23.68 ? ? ? ? ? ? 147 GLU C O 1 +ATOM 5108 C CB . GLU C 1 148 ? 17.793 16.818 178.705 1.00 23.17 ? ? ? ? ? ? 147 GLU C CB 1 +ATOM 5109 C CG . GLU C 1 148 ? 19.257 17.093 178.547 1.00 20.75 ? ? ? ? ? ? 147 GLU C CG 1 +ATOM 5110 C CD . GLU C 1 148 ? 19.522 18.234 177.631 1.00 25.12 ? ? ? ? ? ? 147 GLU C CD 1 +ATOM 5111 O OE1 . GLU C 1 148 ? 18.703 18.503 176.729 1.00 29.47 ? ? ? ? ? ? 147 GLU C OE1 1 +ATOM 5112 O OE2 . GLU C 1 148 ? 20.578 18.852 177.785 1.00 32.81 ? ? ? ? ? ? 147 GLU C OE2 1 +ATOM 5113 N N . VAL C 1 149 ? 15.353 14.586 179.719 1.00 23.17 ? ? ? ? ? ? 148 VAL C N 1 +ATOM 5114 C CA . VAL C 1 149 ? 13.935 14.442 180.063 1.00 22.27 ? ? ? ? ? ? 148 VAL C CA 1 +ATOM 5115 C C . VAL C 1 149 ? 13.720 14.367 181.587 1.00 23.50 ? ? ? ? ? ? 148 VAL C C 1 +ATOM 5116 O O . VAL C 1 149 ? 12.745 14.894 182.093 1.00 22.46 ? ? ? ? ? ? 148 VAL C O 1 +ATOM 5117 C CB . VAL C 1 149 ? 13.307 13.229 179.364 1.00 21.28 ? ? ? ? ? ? 148 VAL C CB 1 +ATOM 5118 C CG1 . VAL C 1 149 ? 11.844 13.040 179.823 1.00 17.76 ? ? ? ? ? ? 148 VAL C CG1 1 +ATOM 5119 C CG2 . VAL C 1 149 ? 13.373 13.405 177.833 1.00 15.92 ? ? ? ? ? ? 148 VAL C CG2 1 +ATOM 5120 N N . VAL C 1 150 ? 14.623 13.666 182.275 1.00 23.14 ? ? ? ? ? ? 149 VAL C N 1 +ATOM 5121 C CA . VAL C 1 150 ? 14.690 13.630 183.725 1.00 22.95 ? ? ? ? ? ? 149 VAL C CA 1 +ATOM 5122 C C . VAL C 1 150 ? 16.150 13.968 183.997 1.00 24.05 ? ? ? ? ? ? 149 VAL C C 1 +ATOM 5123 O O . VAL C 1 150 ? 17.022 13.420 183.345 1.00 23.71 ? ? ? ? ? ? 149 VAL C O 1 +ATOM 5124 C CB . VAL C 1 150 ? 14.271 12.223 184.279 1.00 22.38 ? ? ? ? ? ? 149 VAL C CB 1 +ATOM 5125 C CG1 . VAL C 1 150 ? 14.442 12.160 185.776 1.00 22.99 ? ? ? ? ? ? 149 VAL C CG1 1 +ATOM 5126 C CG2 . VAL C 1 150 ? 12.833 11.899 183.867 1.00 18.48 ? ? ? ? ? ? 149 VAL C CG2 1 +ATOM 5127 N N . SER C 1 151 ? 16.426 14.896 184.902 1.00 26.63 ? ? ? ? ? ? 150 SER C N 1 +ATOM 5128 C CA . SER C 1 151 ? 17.824 15.175 185.278 1.00 29.43 ? ? ? ? ? ? 150 SER C CA 1 +ATOM 5129 C C . SER C 1 151 ? 18.387 13.928 185.923 1.00 29.46 ? ? ? ? ? ? 150 SER C C 1 +ATOM 5130 O O . SER C 1 151 ? 17.658 13.224 186.581 1.00 30.23 ? ? ? ? ? ? 150 SER C O 1 +ATOM 5131 C CB . SER C 1 151 ? 17.952 16.370 186.238 1.00 30.94 ? ? ? ? ? ? 150 SER C CB 1 +ATOM 5132 O OG . SER C 1 151 ? 19.293 16.530 186.668 1.00 35.85 ? ? ? ? ? ? 150 SER C OG 1 +ATOM 5133 N N . PRO C 1 152 ? 19.666 13.622 185.689 1.00 31.46 ? ? ? ? ? ? 151 PRO C N 1 +ATOM 5134 C CA . PRO C 1 152 ? 20.283 12.445 186.307 1.00 32.86 ? ? ? ? ? ? 151 PRO C CA 1 +ATOM 5135 C C . PRO C 1 152 ? 20.775 12.684 187.720 1.00 34.50 ? ? ? ? ? ? 151 PRO C C 1 +ATOM 5136 O O . PRO C 1 152 ? 20.942 11.736 188.469 1.00 34.24 ? ? ? ? ? ? 151 PRO C O 1 +ATOM 5137 C CB . PRO C 1 152 ? 21.452 12.105 185.363 1.00 33.22 ? ? ? ? ? ? 151 PRO C CB 1 +ATOM 5138 C CG . PRO C 1 152 ? 21.629 13.317 184.457 1.00 35.29 ? ? ? ? ? ? 151 PRO C CG 1 +ATOM 5139 C CD . PRO C 1 152 ? 20.607 14.353 184.833 1.00 33.15 ? ? ? ? ? ? 151 PRO C CD 1 +ATOM 5140 N N . LYS C 1 153 ? 20.995 13.946 188.083 1.00 41.48 ? ? ? ? ? ? 152 LYS C N 1 +ATOM 5141 C CA . LYS C 1 153 ? 21.324 14.290 189.473 1.00 45.63 ? ? ? ? ? ? 152 LYS C CA 1 +ATOM 5142 C C . LYS C 1 153 ? 20.175 13.792 190.389 1.00 43.03 ? ? ? ? ? ? 152 LYS C C 1 +ATOM 5143 O O . LYS C 1 153 ? 19.000 14.024 190.111 1.00 45.16 ? ? ? ? ? ? 152 LYS C O 1 +ATOM 5144 C CB . LYS C 1 153 ? 21.605 15.802 189.597 1.00 47.91 ? ? ? ? ? ? 152 LYS C CB 1 +ATOM 5145 C CG . LYS C 1 153 ? 22.827 16.273 188.749 1.00 49.26 ? ? ? ? ? ? 152 LYS C CG 1 +ATOM 5146 C CD . LYS C 1 153 ? 23.173 17.759 188.982 1.00 52.14 ? ? ? ? ? ? 152 LYS C CD 1 +ATOM 5147 C CE . LYS C 1 153 ? 24.557 18.152 188.386 1.00 59.53 ? ? ? ? ? ? 152 LYS C CE 1 +ATOM 5148 N NZ . LYS C 1 153 ? 24.655 17.960 186.886 1.00 61.37 ? ? ? ? ? ? 152 LYS C NZ 1 +ATOM 5149 N N . GLY C 1 154 ? 20.528 13.057 191.435 1.00 39.36 ? ? ? ? ? ? 153 GLY C N 1 +ATOM 5150 C CA . GLY C 1 154 ? 19.559 12.255 192.196 1.00 36.39 ? ? ? ? ? ? 153 GLY C CA 1 +ATOM 5151 C C . GLY C 1 154 ? 19.641 10.745 191.959 1.00 32.65 ? ? ? ? ? ? 153 GLY C C 1 +ATOM 5152 O O . GLY C 1 154 ? 19.563 9.928 192.899 1.00 31.72 ? ? ? ? ? ? 153 GLY C O 1 +ATOM 5153 N N . TYR C 1 155 ? 19.809 10.376 190.692 1.00 29.03 ? ? ? ? ? ? 154 TYR C N 1 +ATOM 5154 C CA . TYR C 1 155 ? 19.783 8.986 190.252 1.00 26.53 ? ? ? ? ? ? 154 TYR C CA 1 +ATOM 5155 C C . TYR C 1 155 ? 21.175 8.324 190.241 1.00 25.05 ? ? ? ? ? ? 154 TYR C C 1 +ATOM 5156 O O . TYR C 1 155 ? 21.293 7.089 190.213 1.00 26.29 ? ? ? ? ? ? 154 TYR C O 1 +ATOM 5157 C CB . TYR C 1 155 ? 19.115 8.951 188.859 1.00 25.65 ? ? ? ? ? ? 154 TYR C CB 1 +ATOM 5158 C CG . TYR C 1 155 ? 17.613 9.225 188.922 1.00 23.35 ? ? ? ? ? ? 154 TYR C CG 1 +ATOM 5159 C CD1 . TYR C 1 155 ? 16.707 8.189 189.138 1.00 18.29 ? ? ? ? ? ? 154 TYR C CD1 1 +ATOM 5160 C CD2 . TYR C 1 155 ? 17.113 10.516 188.790 1.00 23.50 ? ? ? ? ? ? 154 TYR C CD2 1 +ATOM 5161 C CE1 . TYR C 1 155 ? 15.347 8.424 189.206 1.00 21.43 ? ? ? ? ? ? 154 TYR C CE1 1 +ATOM 5162 C CE2 . TYR C 1 155 ? 15.742 10.766 188.856 1.00 24.29 ? ? ? ? ? ? 154 TYR C CE2 1 +ATOM 5163 C CZ . TYR C 1 155 ? 14.864 9.716 189.068 1.00 22.31 ? ? ? ? ? ? 154 TYR C CZ 1 +ATOM 5164 O OH . TYR C 1 155 ? 13.505 9.966 189.149 1.00 23.84 ? ? ? ? ? ? 154 TYR C OH 1 +ATOM 5165 N N . PHE C 1 156 ? 22.213 9.155 190.238 1.00 25.28 ? ? ? ? ? ? 155 PHE C N 1 +ATOM 5166 C CA . PHE C 1 156 ? 23.606 8.694 190.147 1.00 26.77 ? ? ? ? ? ? 155 PHE C CA 1 +ATOM 5167 C C . PHE C 1 156 ? 24.568 9.426 191.091 1.00 29.16 ? ? ? ? ? ? 155 PHE C C 1 +ATOM 5168 O O . PHE C 1 156 ? 24.396 10.589 191.401 1.00 30.87 ? ? ? ? ? ? 155 PHE C O 1 +ATOM 5169 C CB . PHE C 1 156 ? 24.102 8.856 188.708 1.00 26.76 ? ? ? ? ? ? 155 PHE C CB 1 +ATOM 5170 C CG . PHE C 1 156 ? 23.237 8.153 187.715 1.00 23.31 ? ? ? ? ? ? 155 PHE C CG 1 +ATOM 5171 C CD1 . PHE C 1 156 ? 23.293 6.790 187.590 1.00 18.91 ? ? ? ? ? ? 155 PHE C CD1 1 +ATOM 5172 C CD2 . PHE C 1 156 ? 22.302 8.844 186.981 1.00 22.30 ? ? ? ? ? ? 155 PHE C CD2 1 +ATOM 5173 C CE1 . PHE C 1 156 ? 22.447 6.122 186.727 1.00 22.49 ? ? ? ? ? ? 155 PHE C CE1 1 +ATOM 5174 C CE2 . PHE C 1 156 ? 21.485 8.174 186.111 1.00 26.14 ? ? ? ? ? ? 155 PHE C CE2 1 +ATOM 5175 C CZ . PHE C 1 156 ? 21.584 6.795 185.980 1.00 22.19 ? ? ? ? ? ? 155 PHE C CZ 1 +ATOM 5176 N N . GLU C 1 157 ? 25.630 8.731 191.479 1.00 31.91 ? ? ? ? ? ? 156 GLU C N 1 +ATOM 5177 C CA . GLU C 1 157 ? 26.595 9.236 192.477 1.00 32.87 ? ? ? ? ? ? 156 GLU C CA 1 +ATOM 5178 C C . GLU C 1 157 ? 27.682 10.197 191.918 1.00 33.90 ? ? ? ? ? ? 156 GLU C C 1 +ATOM 5179 O O . GLU C 1 157 ? 27.895 11.292 192.448 1.00 34.44 ? ? ? ? ? ? 156 GLU C O 1 +ATOM 5180 C CB . GLU C 1 157 ? 27.235 8.018 193.160 1.00 33.40 ? ? ? ? ? ? 156 GLU C CB 1 +ATOM 5181 C CG . GLU C 1 157 ? 26.192 7.035 193.735 1.00 30.77 ? ? ? ? ? ? 156 GLU C CG 1 +ATOM 5182 C CD . GLU C 1 157 ? 26.786 6.036 194.712 1.00 34.23 ? ? ? ? ? ? 156 GLU C CD 1 +ATOM 5183 O OE1 . GLU C 1 157 ? 27.421 6.470 195.704 1.00 37.61 ? ? ? ? ? ? 156 GLU C OE1 1 +ATOM 5184 O OE2 . GLU C 1 157 ? 26.616 4.813 194.481 1.00 40.22 ? ? ? ? ? ? 156 GLU C OE2 1 +ATOM 5185 N N . ALA C 1 158 ? 28.326 9.793 190.826 1.00 34.96 ? ? ? ? ? ? 157 ALA C N 1 +ATOM 5186 C CA . ALA C 1 158 ? 29.467 10.510 190.266 1.00 34.47 ? ? ? ? ? ? 157 ALA C CA 1 +ATOM 5187 C C . ALA C 1 158 ? 29.191 11.989 190.047 1.00 35.55 ? ? ? ? ? ? 157 ALA C C 1 +ATOM 5188 O O . ALA C 1 158 ? 28.129 12.370 189.607 1.00 35.45 ? ? ? ? ? ? 157 ALA C O 1 +ATOM 5189 C CB . ALA C 1 158 ? 29.926 9.850 188.973 1.00 33.47 ? ? ? ? ? ? 157 ALA C CB 1 +ATOM 5190 N N . GLU C 1 159 ? 30.157 12.822 190.406 1.00 37.56 ? ? ? ? ? ? 158 GLU C N 1 +ATOM 5191 C CA . GLU C 1 159 ? 30.017 14.281 190.322 1.00 40.66 ? ? ? ? ? ? 158 GLU C CA 1 +ATOM 5192 C C . GLU C 1 159 ? 29.960 14.764 188.873 1.00 37.68 ? ? ? ? ? ? 158 GLU C C 1 +ATOM 5193 O O . GLU C 1 159 ? 29.149 15.599 188.510 1.00 37.98 ? ? ? ? ? ? 158 GLU C O 1 +ATOM 5194 C CB . GLU C 1 159 ? 31.209 14.939 191.048 1.00 39.98 ? ? ? ? ? ? 158 GLU C CB 1 +ATOM 5195 C CG . GLU C 1 159 ? 31.171 16.480 191.229 1.00 39.89 ? ? ? ? ? ? 158 GLU C CG 1 +ATOM 5196 C CD . GLU C 1 159 ? 30.021 16.979 192.138 1.00 45.70 ? ? ? ? ? ? 158 GLU C CD 1 +ATOM 5197 O OE1 . GLU C 1 159 ? 29.359 16.171 192.839 1.00 46.01 ? ? ? ? ? ? 158 GLU C OE1 1 +ATOM 5198 O OE2 . GLU C 1 159 ? 29.786 18.204 192.159 1.00 48.92 ? ? ? ? ? ? 158 GLU C OE2 1 +ATOM 5199 N N . ILE C 1 160 ? 30.858 14.241 188.066 1.00 35.15 ? ? ? ? ? ? 159 ILE C N 1 +ATOM 5200 C CA . ILE C 1 160 ? 30.864 14.511 186.636 1.00 33.98 ? ? ? ? ? ? 159 ILE C CA 1 +ATOM 5201 C C . ILE C 1 160 ? 30.367 13.290 185.883 1.00 32.65 ? ? ? ? ? ? 159 ILE C C 1 +ATOM 5202 O O . ILE C 1 160 ? 30.690 12.141 186.209 1.00 30.81 ? ? ? ? ? ? 159 ILE C O 1 +ATOM 5203 C CB . ILE C 1 160 ? 32.248 14.947 186.152 1.00 35.13 ? ? ? ? ? ? 159 ILE C CB 1 +ATOM 5204 C CG1 . ILE C 1 160 ? 32.581 16.306 186.783 1.00 34.00 ? ? ? ? ? ? 159 ILE C CG1 1 +ATOM 5205 C CG2 . ILE C 1 160 ? 32.308 15.000 184.602 1.00 31.21 ? ? ? ? ? ? 159 ILE C CG2 1 +ATOM 5206 C CD1 . ILE C 1 160 ? 33.983 16.738 186.566 1.00 38.22 ? ? ? ? ? ? 159 ILE C CD1 1 +ATOM 5207 N N . ASP C 1 161 ? 29.537 13.548 184.886 1.00 31.42 ? ? ? ? ? ? 160 ASP C N 1 +ATOM 5208 C CA . ASP C 1 161 ? 28.860 12.476 184.173 1.00 32.42 ? ? ? ? ? ? 160 ASP C CA 1 +ATOM 5209 C C . ASP C 1 161 ? 28.400 13.031 182.825 1.00 31.90 ? ? ? ? ? ? 160 ASP C C 1 +ATOM 5210 O O . ASP C 1 161 ? 27.214 13.099 182.555 1.00 32.25 ? ? ? ? ? ? 160 ASP C O 1 +ATOM 5211 C CB . ASP C 1 161 ? 27.674 12.014 185.036 1.00 32.07 ? ? ? ? ? ? 160 ASP C CB 1 +ATOM 5212 C CG . ASP C 1 161 ? 26.916 10.822 184.452 1.00 34.95 ? ? ? ? ? ? 160 ASP C CG 1 +ATOM 5213 O OD1 . ASP C 1 161 ? 27.391 10.173 183.505 1.00 37.58 ? ? ? ? ? ? 160 ASP C OD1 1 +ATOM 5214 O OD2 . ASP C 1 161 ? 25.819 10.541 184.965 1.00 40.88 ? ? ? ? ? ? 160 ASP C OD2 1 +ATOM 5215 N N . ASP C 1 162 ? 29.351 13.454 181.997 1.00 31.34 ? ? ? ? ? ? 161 ASP C N 1 +ATOM 5216 C CA . ASP C 1 162 ? 29.024 14.161 180.749 1.00 30.47 ? ? ? ? ? ? 161 ASP C CA 1 +ATOM 5217 C C . ASP C 1 162 ? 28.980 13.233 179.528 1.00 29.39 ? ? ? ? ? ? 161 ASP C C 1 +ATOM 5218 O O . ASP C 1 162 ? 28.235 13.485 178.594 1.00 30.19 ? ? ? ? ? ? 161 ASP C O 1 +ATOM 5219 C CB . ASP C 1 162 ? 30.027 15.268 180.451 1.00 29.97 ? ? ? ? ? ? 161 ASP C CB 1 +ATOM 5220 C CG . ASP C 1 162 ? 29.809 16.519 181.254 1.00 34.05 ? ? ? ? ? ? 161 ASP C CG 1 +ATOM 5221 O OD1 . ASP C 1 162 ? 28.807 16.636 181.996 1.00 44.41 ? ? ? ? ? ? 161 ASP C OD1 1 +ATOM 5222 O OD2 . ASP C 1 162 ? 30.670 17.409 181.135 1.00 43.54 ? ? ? ? ? ? 161 ASP C OD2 1 +ATOM 5223 N N . HIS C 1 163 ? 29.815 12.199 179.515 1.00 25.91 ? ? ? ? ? ? 162 HIS C N 1 +ATOM 5224 C CA . HIS C 1 163 ? 29.908 11.320 178.361 1.00 23.70 ? ? ? ? ? ? 162 HIS C CA 1 +ATOM 5225 C C . HIS C 1 163 ? 30.439 9.973 178.792 1.00 22.20 ? ? ? ? ? ? 162 HIS C C 1 +ATOM 5226 O O . HIS C 1 163 ? 31.512 9.906 179.356 1.00 20.78 ? ? ? ? ? ? 162 HIS C O 1 +ATOM 5227 C CB . HIS C 1 163 ? 30.794 11.992 177.296 1.00 22.27 ? ? ? ? ? ? 162 HIS C CB 1 +ATOM 5228 C CG . HIS C 1 163 ? 31.234 11.083 176.200 1.00 21.01 ? ? ? ? ? ? 162 HIS C CG 1 +ATOM 5229 N ND1 . HIS C 1 163 ? 30.411 10.698 175.175 1.00 18.61 ? ? ? ? ? ? 162 HIS C ND1 1 +ATOM 5230 C CD2 . HIS C 1 163 ? 32.435 10.516 175.950 1.00 22.92 ? ? ? ? ? ? 162 HIS C CD2 1 +ATOM 5231 C CE1 . HIS C 1 163 ? 31.068 9.881 174.374 1.00 25.92 ? ? ? ? ? ? 162 HIS C CE1 1 +ATOM 5232 N NE2 . HIS C 1 163 ? 32.303 9.761 174.815 1.00 20.36 ? ? ? ? ? ? 162 HIS C NE2 1 +ATOM 5233 N N . ALA C 1 164 ? 29.676 8.908 178.542 1.00 20.98 ? ? ? ? ? ? 163 ALA C N 1 +ATOM 5234 C CA . ALA C 1 164 ? 30.072 7.541 178.909 1.00 21.56 ? ? ? ? ? ? 163 ALA C CA 1 +ATOM 5235 C C . ALA C 1 164 ? 30.319 7.368 180.414 1.00 23.15 ? ? ? ? ? ? 163 ALA C C 1 +ATOM 5236 O O . ALA C 1 164 ? 31.161 6.580 180.820 1.00 23.24 ? ? ? ? ? ? 163 ALA C O 1 +ATOM 5237 C CB . ALA C 1 164 ? 31.306 7.121 178.114 1.00 19.56 ? ? ? ? ? ? 163 ALA C CB 1 +ATOM 5238 N N . GLY C 1 165 ? 29.579 8.123 181.227 1.00 23.55 ? ? ? ? ? ? 164 GLY C N 1 +ATOM 5239 C CA . GLY C 1 165 ? 29.743 8.106 182.654 1.00 23.68 ? ? ? ? ? ? 164 GLY C CA 1 +ATOM 5240 C C . GLY C 1 165 ? 28.813 7.112 183.317 1.00 23.49 ? ? ? ? ? ? 164 GLY C C 1 +ATOM 5241 O O . GLY C 1 165 ? 28.433 6.102 182.716 1.00 23.45 ? ? ? ? ? ? 164 GLY C O 1 +ATOM 5242 N N . GLU C 1 166 ? 28.434 7.410 184.556 1.00 22.91 ? ? ? ? ? ? 165 GLU C N 1 +ATOM 5243 C CA . GLU C 1 166 ? 27.623 6.512 185.352 1.00 22.63 ? ? ? ? ? ? 165 GLU C CA 1 +ATOM 5244 C C . GLU C 1 166 ? 26.250 6.320 184.745 1.00 22.22 ? ? ? ? ? ? 165 GLU C C 1 +ATOM 5245 O O . GLU C 1 166 ? 25.771 5.203 184.697 1.00 22.74 ? ? ? ? ? ? 165 GLU C O 1 +ATOM 5246 C CB . GLU C 1 166 ? 27.507 7.008 186.790 1.00 22.76 ? ? ? ? ? ? 165 GLU C CB 1 +ATOM 5247 C CG . GLU C 1 166 ? 27.003 5.952 187.760 1.00 25.32 ? ? ? ? ? ? 165 GLU C CG 1 +ATOM 5248 C CD . GLU C 1 166 ? 26.934 6.444 189.205 1.00 24.15 ? ? ? ? ? ? 165 GLU C CD 1 +ATOM 5249 O OE1 . GLU C 1 166 ? 27.890 7.103 189.668 1.00 26.21 ? ? ? ? ? ? 165 GLU C OE1 1 +ATOM 5250 O OE2 . GLU C 1 166 ? 25.921 6.155 189.878 1.00 25.29 ? ? ? ? ? ? 165 GLU C OE2 1 +ATOM 5251 N N . SER C 1 167 ? 25.637 7.390 184.234 1.00 22.80 ? ? ? ? ? ? 166 SER C N 1 +ATOM 5252 C CA . SER C 1 167 ? 24.284 7.298 183.693 1.00 22.92 ? ? ? ? ? ? 166 SER C CA 1 +ATOM 5253 C C . SER C 1 167 ? 24.172 6.477 182.409 1.00 22.86 ? ? ? ? ? ? 166 SER C C 1 +ATOM 5254 O O . SER C 1 167 ? 23.404 5.520 182.347 1.00 24.21 ? ? ? ? ? ? 166 SER C O 1 +ATOM 5255 C CB . SER C 1 167 ? 23.642 8.677 183.525 1.00 24.21 ? ? ? ? ? ? 166 SER C CB 1 +ATOM 5256 O OG . SER C 1 167 ? 24.362 9.509 182.662 1.00 29.22 ? ? ? ? ? ? 166 SER C OG 1 +ATOM 5257 N N . GLU C 1 168 ? 24.925 6.851 181.383 1.00 23.53 ? ? ? ? ? ? 167 GLU C N 1 +ATOM 5258 C CA . GLU C 1 168 ? 24.972 6.053 180.148 1.00 22.84 ? ? ? ? ? ? 167 GLU C CA 1 +ATOM 5259 C C . GLU C 1 168 ? 25.421 4.624 180.405 1.00 20.91 ? ? ? ? ? ? 167 GLU C C 1 +ATOM 5260 O O . GLU C 1 168 ? 24.888 3.701 179.802 1.00 20.90 ? ? ? ? ? ? 167 GLU C O 1 +ATOM 5261 C CB . GLU C 1 168 ? 25.890 6.690 179.081 1.00 22.00 ? ? ? ? ? ? 167 GLU C CB 1 +ATOM 5262 C CG . GLU C 1 168 ? 25.225 7.766 178.315 1.00 23.25 ? ? ? ? ? ? 167 GLU C CG 1 +ATOM 5263 C CD . GLU C 1 168 ? 26.043 8.231 177.120 1.00 27.19 ? ? ? ? ? ? 167 GLU C CD 1 +ATOM 5264 O OE1 . GLU C 1 168 ? 27.253 8.417 177.277 1.00 22.76 ? ? ? ? ? ? 167 GLU C OE1 1 +ATOM 5265 O OE2 . GLU C 1 168 ? 25.482 8.414 176.029 1.00 22.36 ? ? ? ? ? ? 167 GLU C OE2 1 +ATOM 5266 N N . THR C 1 169 ? 26.411 4.418 181.270 1.00 20.12 ? ? ? ? ? ? 168 THR C N 1 +ATOM 5267 C CA . THR C 1 169 ? 26.861 3.062 181.537 1.00 20.12 ? ? ? ? ? ? 168 THR C CA 1 +ATOM 5268 C C . THR C 1 169 ? 25.755 2.228 182.207 1.00 20.86 ? ? ? ? ? ? 168 THR C C 1 +ATOM 5269 O O . THR C 1 169 ? 25.564 1.063 181.873 1.00 21.86 ? ? ? ? ? ? 168 THR C O 1 +ATOM 5270 C CB . THR C 1 169 ? 28.144 3.013 182.385 1.00 21.85 ? ? ? ? ? ? 168 THR C CB 1 +ATOM 5271 O OG1 . THR C 1 169 ? 29.207 3.728 181.717 1.00 17.77 ? ? ? ? ? ? 168 THR C OG1 1 +ATOM 5272 C CG2 . THR C 1 169 ? 28.545 1.556 182.578 1.00 16.17 ? ? ? ? ? ? 168 THR C CG2 1 +ATOM 5273 N N . SER C 1 170 ? 25.023 2.836 183.141 1.00 20.93 ? ? ? ? ? ? 169 SER C N 1 +ATOM 5274 C CA . SER C 1 170 ? 23.974 2.126 183.915 1.00 20.68 ? ? ? ? ? ? 169 SER C CA 1 +ATOM 5275 C C . SER C 1 170 ? 22.816 1.751 183.010 1.00 20.75 ? ? ? ? ? ? 169 SER C C 1 +ATOM 5276 O O . SER C 1 170 ? 22.312 0.632 183.052 1.00 20.57 ? ? ? ? ? ? 169 SER C O 1 +ATOM 5277 C CB . SER C 1 170 ? 23.484 3.017 185.060 1.00 21.50 ? ? ? ? ? ? 169 SER C CB 1 +ATOM 5278 O OG . SER C 1 170 ? 24.521 3.227 186.020 1.00 18.62 ? ? ? ? ? ? 169 SER C OG 1 +ATOM 5279 N N . VAL C 1 171 ? 22.433 2.701 182.163 1.00 21.13 ? ? ? ? ? ? 170 VAL C N 1 +ATOM 5280 C CA . VAL C 1 171 ? 21.348 2.508 181.220 1.00 19.94 ? ? ? ? ? ? 170 VAL C CA 1 +ATOM 5281 C C . VAL C 1 171 ? 21.720 1.451 180.161 1.00 20.07 ? ? ? ? ? ? 170 VAL C C 1 +ATOM 5282 O O . VAL C 1 171 ? 20.883 0.662 179.773 1.00 22.45 ? ? ? ? ? ? 170 VAL C O 1 +ATOM 5283 C CB . VAL C 1 171 ? 20.871 3.831 180.581 1.00 17.91 ? ? ? ? ? ? 170 VAL C CB 1 +ATOM 5284 C CG1 . VAL C 1 171 ? 19.742 3.558 179.565 1.00 16.38 ? ? ? ? ? ? 170 VAL C CG1 1 +ATOM 5285 C CG2 . VAL C 1 171 ? 20.373 4.810 181.644 1.00 16.86 ? ? ? ? ? ? 170 VAL C CG2 1 +ATOM 5286 N N . MSE C 1 172 ? 22.971 1.412 179.727 1.00 19.70 ? ? ? ? ? ? 171 MSE C N 1 +ATOM 5287 C CA . MSE C 1 172 ? 23.395 0.380 178.803 1.00 20.37 ? ? ? ? ? ? 171 MSE C CA 1 +ATOM 5288 C C . MSE C 1 172 ? 23.428 -0.989 179.483 1.00 21.26 ? ? ? ? ? ? 171 MSE C C 1 +ATOM 5289 O O . MSE C 1 172 ? 23.069 -1.991 178.868 1.00 21.52 ? ? ? ? ? ? 171 MSE C O 1 +ATOM 5290 C CB . MSE C 1 172 ? 24.785 0.671 178.207 1.00 18.34 ? ? ? ? ? ? 171 MSE C CB 1 +ATOM 5291 C CG . MSE C 1 172 ? 25.238 -0.396 177.166 1.00 20.27 ? ? ? ? ? ? 171 MSE C CG 1 +ATOM 5292 SE SE . MSE C 1 172 ? 24.149 -0.408 175.508 0.75 18.71 ? ? ? ? ? ? 171 MSE C SE 1 +ATOM 5293 C CE . MSE C 1 172 ? 24.486 1.446 174.978 1.00 17.49 ? ? ? ? ? ? 171 MSE C CE 1 +ATOM 5294 N N . MSE C 1 173 ? 23.893 -1.046 180.729 1.00 21.65 ? ? ? ? ? ? 172 MSE C N 1 +ATOM 5295 C CA . MSE C 1 173 ? 23.854 -2.307 181.496 1.00 21.79 ? ? ? ? ? ? 172 MSE C CA 1 +ATOM 5296 C C . MSE C 1 173 ? 22.407 -2.844 181.707 1.00 22.29 ? ? ? ? ? ? 172 MSE C C 1 +ATOM 5297 O O . MSE C 1 173 ? 22.191 -4.058 181.754 1.00 23.66 ? ? ? ? ? ? 172 MSE C O 1 +ATOM 5298 C CB . MSE C 1 173 ? 24.540 -2.095 182.846 1.00 24.42 ? ? ? ? ? ? 172 MSE C CB 1 +ATOM 5299 C CG . MSE C 1 173 ? 26.066 -1.875 182.775 1.00 22.79 ? ? ? ? ? ? 172 MSE C CG 1 +ATOM 5300 SE SE . MSE C 1 173 ? 26.787 -1.370 184.515 0.75 24.53 ? ? ? ? ? ? 172 MSE C SE 1 +ATOM 5301 C CE . MSE C 1 173 ? 26.852 -3.098 185.331 1.00 23.60 ? ? ? ? ? ? 172 MSE C CE 1 +ATOM 5302 N N . HIS C 1 174 ? 21.431 -1.944 181.833 1.00 21.62 ? ? ? ? ? ? 173 HIS C N 1 +ATOM 5303 C CA . HIS C 1 174 ? 19.994 -2.310 181.907 1.00 21.62 ? ? ? ? ? ? 173 HIS C CA 1 +ATOM 5304 C C . HIS C 1 174 ? 19.490 -2.892 180.597 1.00 22.95 ? ? ? ? ? ? 173 HIS C C 1 +ATOM 5305 O O . HIS C 1 174 ? 18.985 -4.017 180.558 1.00 22.84 ? ? ? ? ? ? 173 HIS C O 1 +ATOM 5306 C CB . HIS C 1 174 ? 19.146 -1.080 182.298 1.00 23.23 ? ? ? ? ? ? 173 HIS C CB 1 +ATOM 5307 C CG . HIS C 1 174 ? 17.661 -1.270 182.145 1.00 21.69 ? ? ? ? ? ? 173 HIS C CG 1 +ATOM 5308 N ND1 . HIS C 1 174 ? 16.948 -2.192 182.879 1.00 19.97 ? ? ? ? ? ? 173 HIS C ND1 1 +ATOM 5309 C CD2 . HIS C 1 174 ? 16.760 -0.637 181.362 1.00 22.57 ? ? ? ? ? ? 173 HIS C CD2 1 +ATOM 5310 C CE1 . HIS C 1 174 ? 15.673 -2.135 182.534 1.00 26.53 ? ? ? ? ? ? 173 HIS C CE1 1 +ATOM 5311 N NE2 . HIS C 1 174 ? 15.529 -1.195 181.614 1.00 23.94 ? ? ? ? ? ? 173 HIS C NE2 1 +ATOM 5312 N N . TYR C 1 175 ? 19.642 -2.125 179.514 1.00 22.62 ? ? ? ? ? ? 174 TYR C N 1 +ATOM 5313 C CA . TYR C 1 175 ? 19.134 -2.530 178.206 1.00 21.21 ? ? ? ? ? ? 174 TYR C CA 1 +ATOM 5314 C C . TYR C 1 175 ? 19.967 -3.631 177.506 1.00 20.80 ? ? ? ? ? ? 174 TYR C C 1 +ATOM 5315 O O . TYR C 1 175 ? 19.386 -4.533 176.898 1.00 19.47 ? ? ? ? ? ? 174 TYR C O 1 +ATOM 5316 C CB . TYR C 1 175 ? 18.959 -1.290 177.281 1.00 20.61 ? ? ? ? ? ? 174 TYR C CB 1 +ATOM 5317 C CG . TYR C 1 175 ? 17.723 -0.455 177.573 1.00 21.35 ? ? ? ? ? ? 174 TYR C CG 1 +ATOM 5318 C CD1 . TYR C 1 175 ? 16.454 -1.034 177.649 1.00 19.84 ? ? ? ? ? ? 174 TYR C CD1 1 +ATOM 5319 C CD2 . TYR C 1 175 ? 17.817 0.928 177.722 1.00 20.33 ? ? ? ? ? ? 174 TYR C CD2 1 +ATOM 5320 C CE1 . TYR C 1 175 ? 15.304 -0.235 177.916 1.00 20.34 ? ? ? ? ? ? 174 TYR C CE1 1 +ATOM 5321 C CE2 . TYR C 1 175 ? 16.685 1.716 177.986 1.00 21.02 ? ? ? ? ? ? 174 TYR C CE2 1 +ATOM 5322 C CZ . TYR C 1 175 ? 15.446 1.139 178.087 1.00 19.72 ? ? ? ? ? ? 174 TYR C CZ 1 +ATOM 5323 O OH . TYR C 1 175 ? 14.363 1.974 178.322 1.00 22.16 ? ? ? ? ? ? 174 TYR C OH 1 +ATOM 5324 N N . HIS C 1 176 ? 21.301 -3.540 177.585 1.00 21.75 ? ? ? ? ? ? 175 HIS C N 1 +ATOM 5325 C CA . HIS C 1 176 ? 22.225 -4.458 176.903 1.00 22.31 ? ? ? ? ? ? 175 HIS C CA 1 +ATOM 5326 C C . HIS C 1 176 ? 23.441 -4.791 177.750 1.00 23.02 ? ? ? ? ? ? 175 HIS C C 1 +ATOM 5327 O O . HIS C 1 176 ? 24.566 -4.356 177.472 1.00 23.52 ? ? ? ? ? ? 175 HIS C O 1 +ATOM 5328 C CB . HIS C 1 176 ? 22.691 -3.904 175.554 1.00 22.66 ? ? ? ? ? ? 175 HIS C CB 1 +ATOM 5329 C CG . HIS C 1 176 ? 21.580 -3.751 174.580 1.00 21.05 ? ? ? ? ? ? 175 HIS C CG 1 +ATOM 5330 N ND1 . HIS C 1 176 ? 21.100 -4.805 173.829 1.00 24.84 ? ? ? ? ? ? 175 HIS C ND1 1 +ATOM 5331 C CD2 . HIS C 1 176 ? 20.807 -2.683 174.279 1.00 21.20 ? ? ? ? ? ? 175 HIS C CD2 1 +ATOM 5332 C CE1 . HIS C 1 176 ? 20.077 -4.391 173.108 1.00 26.95 ? ? ? ? ? ? 175 HIS C CE1 1 +ATOM 5333 N NE2 . HIS C 1 176 ? 19.878 -3.108 173.363 1.00 26.12 ? ? ? ? ? ? 175 HIS C NE2 1 +ATOM 5334 N N . PRO C 1 177 ? 23.237 -5.610 178.769 1.00 24.91 ? ? ? ? ? ? 176 PRO C N 1 +ATOM 5335 C CA . PRO C 1 177 ? 24.370 -5.969 179.583 1.00 26.30 ? ? ? ? ? ? 176 PRO C CA 1 +ATOM 5336 C C . PRO C 1 177 ? 25.474 -6.681 178.797 1.00 25.69 ? ? ? ? ? ? 176 PRO C C 1 +ATOM 5337 O O . PRO C 1 177 ? 26.610 -6.550 179.145 1.00 27.26 ? ? ? ? ? ? 176 PRO C O 1 +ATOM 5338 C CB . PRO C 1 177 ? 23.744 -6.891 180.638 1.00 26.23 ? ? ? ? ? ? 176 PRO C CB 1 +ATOM 5339 C CG . PRO C 1 177 ? 22.501 -7.361 180.069 1.00 23.07 ? ? ? ? ? ? 176 PRO C CG 1 +ATOM 5340 C CD . PRO C 1 177 ? 21.996 -6.259 179.237 1.00 26.34 ? ? ? ? ? ? 176 PRO C CD 1 +ATOM 5341 N N . GLU C 1 178 ? 25.115 -7.388 177.729 1.00 27.16 ? ? ? ? ? ? 177 GLU C N 1 +ATOM 5342 C CA . GLU C 1 178 ? 26.061 -8.135 176.882 1.00 27.57 ? ? ? ? ? ? 177 GLU C CA 1 +ATOM 5343 C C . GLU C 1 178 ? 27.039 -7.265 176.060 1.00 27.43 ? ? ? ? ? ? 177 GLU C C 1 +ATOM 5344 O O . GLU C 1 178 ? 28.101 -7.742 175.655 1.00 26.84 ? ? ? ? ? ? 177 GLU C O 1 +ATOM 5345 C CB . GLU C 1 178 ? 25.292 -9.078 175.962 1.00 26.26 ? ? ? ? ? ? 177 GLU C CB 1 +ATOM 5346 C CG . GLU C 1 178 ? 24.616 -8.438 174.740 1.00 30.86 ? ? ? ? ? ? 177 GLU C CG 1 +ATOM 5347 C CD . GLU C 1 178 ? 23.247 -7.773 175.011 1.00 34.25 ? ? ? ? ? ? 177 GLU C CD 1 +ATOM 5348 O OE1 . GLU C 1 178 ? 22.728 -7.815 176.169 1.00 30.17 ? ? ? ? ? ? 177 GLU C OE1 1 +ATOM 5349 O OE2 . GLU C 1 178 ? 22.707 -7.203 174.034 1.00 32.74 ? ? ? ? ? ? 177 GLU C OE2 1 +ATOM 5350 N N . LEU C 1 179 ? 26.695 -5.992 175.865 1.00 26.47 ? ? ? ? ? ? 178 LEU C N 1 +ATOM 5351 C CA . LEU C 1 179 ? 27.511 -5.050 175.107 1.00 25.58 ? ? ? ? ? ? 178 LEU C CA 1 +ATOM 5352 C C . LEU C 1 179 ? 28.497 -4.229 175.964 1.00 26.73 ? ? ? ? ? ? 178 LEU C C 1 +ATOM 5353 O O . LEU C 1 179 ? 29.236 -3.397 175.414 1.00 28.44 ? ? ? ? ? ? 178 LEU C O 1 +ATOM 5354 C CB . LEU C 1 179 ? 26.597 -4.103 174.331 1.00 24.61 ? ? ? ? ? ? 178 LEU C CB 1 +ATOM 5355 C CG . LEU C 1 179 ? 25.709 -4.723 173.249 1.00 22.47 ? ? ? ? ? ? 178 LEU C CG 1 +ATOM 5356 C CD1 . LEU C 1 179 ? 24.749 -3.665 172.638 1.00 22.82 ? ? ? ? ? ? 178 LEU C CD1 1 +ATOM 5357 C CD2 . LEU C 1 179 ? 26.558 -5.392 172.176 1.00 25.51 ? ? ? ? ? ? 178 LEU C CD2 1 +ATOM 5358 N N . VAL C 1 180 ? 28.498 -4.420 177.291 1.00 26.89 ? ? ? ? ? ? 179 VAL C N 1 +ATOM 5359 C CA . VAL C 1 180 ? 29.379 -3.649 178.172 1.00 26.83 ? ? ? ? ? ? 179 VAL C CA 1 +ATOM 5360 C C . VAL C 1 180 ? 29.966 -4.500 179.292 1.00 28.17 ? ? ? ? ? ? 179 VAL C C 1 +ATOM 5361 O O . VAL C 1 180 ? 29.241 -5.198 179.987 1.00 28.86 ? ? ? ? ? ? 179 VAL C O 1 +ATOM 5362 C CB . VAL C 1 180 ? 28.681 -2.373 178.778 1.00 29.26 ? ? ? ? ? ? 179 VAL C CB 1 +ATOM 5363 C CG1 . VAL C 1 180 ? 27.328 -2.689 179.388 1.00 25.47 ? ? ? ? ? ? 179 VAL C CG1 1 +ATOM 5364 C CG2 . VAL C 1 180 ? 29.582 -1.700 179.832 1.00 27.45 ? ? ? ? ? ? 179 VAL C CG2 1 +ATOM 5365 N N . ASN C 1 181 ? 31.288 -4.463 179.437 1.00 29.34 ? ? ? ? ? ? 180 ASN C N 1 +ATOM 5366 C CA . ASN C 1 181 ? 31.992 -5.040 180.573 1.00 28.51 ? ? ? ? ? ? 180 ASN C CA 1 +ATOM 5367 C C . ASN C 1 181 ? 32.542 -3.879 181.385 1.00 27.58 ? ? ? ? ? ? 180 ASN C C 1 +ATOM 5368 O O . ASN C 1 181 ? 33.569 -3.257 181.000 1.00 26.72 ? ? ? ? ? ? 180 ASN C O 1 +ATOM 5369 C CB . ASN C 1 181 ? 33.138 -5.944 180.096 1.00 32.97 ? ? ? ? ? ? 180 ASN C CB 1 +ATOM 5370 C CG . ASN C 1 181 ? 33.963 -6.598 181.280 1.00 38.68 ? ? ? ? ? ? 180 ASN C CG 1 +ATOM 5371 O OD1 . ASN C 1 181 ? 33.674 -6.395 182.489 1.00 52.11 ? ? ? ? ? ? 180 ASN C OD1 1 +ATOM 5372 N ND2 . ASN C 1 181 ? 34.993 -7.404 180.903 1.00 48.03 ? ? ? ? ? ? 180 ASN C ND2 1 +ATOM 5373 N N . LEU C 1 182 ? 31.867 -3.582 182.501 1.00 26.85 ? ? ? ? ? ? 181 LEU C N 1 +ATOM 5374 C CA . LEU C 1 182 ? 32.278 -2.479 183.388 1.00 27.41 ? ? ? ? ? ? 181 LEU C CA 1 +ATOM 5375 C C . LEU C 1 182 ? 33.764 -2.545 183.831 1.00 27.15 ? ? ? ? ? ? 181 LEU C C 1 +ATOM 5376 O O . LEU C 1 182 ? 34.431 -1.505 183.943 1.00 26.77 ? ? ? ? ? ? 181 LEU C O 1 +ATOM 5377 C CB . LEU C 1 182 ? 31.350 -2.397 184.612 1.00 28.70 ? ? ? ? ? ? 181 LEU C CB 1 +ATOM 5378 C CG . LEU C 1 182 ? 31.506 -1.163 185.522 1.00 28.83 ? ? ? ? ? ? 181 LEU C CG 1 +ATOM 5379 C CD1 . LEU C 1 182 ? 31.422 0.097 184.712 1.00 25.42 ? ? ? ? ? ? 181 LEU C CD1 1 +ATOM 5380 C CD2 . LEU C 1 182 ? 30.420 -1.192 186.619 1.00 28.53 ? ? ? ? ? ? 181 LEU C CD2 1 +ATOM 5381 N N . ALA C 1 183 ? 34.277 -3.758 184.025 1.00 27.95 ? ? ? ? ? ? 182 ALA C N 1 +ATOM 5382 C CA . ALA C 1 183 ? 35.702 -3.990 184.366 1.00 29.04 ? ? ? ? ? ? 182 ALA C CA 1 +ATOM 5383 C C . ALA C 1 183 ? 36.715 -3.358 183.400 1.00 30.08 ? ? ? ? ? ? 182 ALA C C 1 +ATOM 5384 O O . ALA C 1 183 ? 37.843 -3.090 183.810 1.00 30.44 ? ? ? ? ? ? 182 ALA C O 1 +ATOM 5385 C CB . ALA C 1 183 ? 35.983 -5.481 184.476 1.00 28.93 ? ? ? ? ? ? 182 ALA C CB 1 +ATOM 5386 N N . GLU C 1 184 ? 36.326 -3.116 182.142 1.00 30.52 ? ? ? ? ? ? 183 GLU C N 1 +ATOM 5387 C CA . GLU C 1 184 ? 37.219 -2.465 181.132 1.00 31.58 ? ? ? ? ? ? 183 GLU C CA 1 +ATOM 5388 C C . GLU C 1 184 ? 37.275 -0.918 181.174 1.00 27.83 ? ? ? ? ? ? 183 GLU C C 1 +ATOM 5389 O O . GLU C 1 184 ? 38.132 -0.275 180.551 1.00 27.00 ? ? ? ? ? ? 183 GLU C O 1 +ATOM 5390 C CB . GLU C 1 184 ? 36.795 -2.884 179.714 1.00 31.91 ? ? ? ? ? ? 183 GLU C CB 1 +ATOM 5391 C CG . GLU C 1 184 ? 36.708 -4.372 179.451 1.00 35.30 ? ? ? ? ? ? 183 GLU C CG 1 +ATOM 5392 C CD . GLU C 1 184 ? 36.148 -4.678 178.043 1.00 39.41 ? ? ? ? ? ? 183 GLU C CD 1 +ATOM 5393 O OE1 . GLU C 1 184 ? 36.232 -3.795 177.128 1.00 44.04 ? ? ? ? ? ? 183 GLU C OE1 1 +ATOM 5394 O OE2 . GLU C 1 184 ? 35.633 -5.808 177.860 1.00 45.10 ? ? ? ? ? ? 183 GLU C OE2 1 +ATOM 5395 N N . ALA C 1 185 ? 36.336 -0.319 181.893 1.00 27.07 ? ? ? ? ? ? 184 ALA C N 1 +ATOM 5396 C CA . ALA C 1 185 ? 36.207 1.140 181.950 1.00 25.48 ? ? ? ? ? ? 184 ALA C CA 1 +ATOM 5397 C C . ALA C 1 185 ? 37.440 1.779 182.560 1.00 26.26 ? ? ? ? ? ? 184 ALA C C 1 +ATOM 5398 O O . ALA C 1 185 ? 38.017 1.247 183.489 1.00 27.44 ? ? ? ? ? ? 184 ALA C O 1 +ATOM 5399 C CB . ALA C 1 185 ? 34.962 1.515 182.758 1.00 24.13 ? ? ? ? ? ? 184 ALA C CB 1 +ATOM 5400 N N . GLY C 1 186 ? 37.859 2.913 182.023 1.00 25.97 ? ? ? ? ? ? 185 GLY C N 1 +ATOM 5401 C CA . GLY C 1 186 ? 38.763 3.811 182.737 1.00 24.73 ? ? ? ? ? ? 185 GLY C CA 1 +ATOM 5402 C C . GLY C 1 186 ? 37.991 4.783 183.625 1.00 25.21 ? ? ? ? ? ? 185 GLY C C 1 +ATOM 5403 O O . GLY C 1 186 ? 36.736 4.796 183.626 1.00 24.92 ? ? ? ? ? ? 185 GLY C O 1 +ATOM 5404 N N . ASP C 1 187 ? 38.723 5.641 184.325 1.00 26.07 ? ? ? ? ? ? 186 ASP C N 1 +ATOM 5405 C CA A ASP C 1 187 ? 38.136 6.545 185.317 0.50 27.78 ? ? ? ? ? ? 186 ASP C CA 1 +ATOM 5406 C CA B ASP C 1 187 ? 38.128 6.536 185.324 0.50 26.98 ? ? ? ? ? ? 186 ASP C CA 1 +ATOM 5407 C C . ASP C 1 187 ? 37.480 7.789 184.710 1.00 27.30 ? ? ? ? ? ? 186 ASP C C 1 +ATOM 5408 O O . ASP C 1 187 ? 36.779 8.534 185.396 1.00 26.71 ? ? ? ? ? ? 186 ASP C O 1 +ATOM 5409 C CB A ASP C 1 187 ? 39.189 6.947 186.375 0.50 29.94 ? ? ? ? ? ? 186 ASP C CB 1 +ATOM 5410 C CB B ASP C 1 187 ? 39.189 6.955 186.363 0.50 28.38 ? ? ? ? ? ? 186 ASP C CB 1 +ATOM 5411 C CG A ASP C 1 187 ? 40.353 7.780 185.805 0.50 36.19 ? ? ? ? ? ? 186 ASP C CG 1 +ATOM 5412 C CG B ASP C 1 187 ? 39.649 5.797 187.264 0.50 31.05 ? ? ? ? ? ? 186 ASP C CG 1 +ATOM 5413 O OD1 A ASP C 1 187 ? 40.551 7.828 184.563 0.50 47.85 ? ? ? ? ? ? 186 ASP C OD1 1 +ATOM 5414 O OD1 B ASP C 1 187 ? 38.993 4.733 187.287 0.50 28.07 ? ? ? ? ? ? 186 ASP C OD1 1 +ATOM 5415 O OD2 A ASP C 1 187 ? 41.087 8.387 186.627 0.50 42.65 ? ? ? ? ? ? 186 ASP C OD2 1 +ATOM 5416 O OD2 B ASP C 1 187 ? 40.676 5.963 187.963 0.50 34.47 ? ? ? ? ? ? 186 ASP C OD2 1 +ATOM 5417 N N . GLY C 1 188 ? 37.724 8.027 183.421 1.00 27.30 ? ? ? ? ? ? 187 GLY C N 1 +ATOM 5418 C CA . GLY C 1 188 ? 37.144 9.154 182.710 1.00 26.78 ? ? ? ? ? ? 187 GLY C CA 1 +ATOM 5419 C C . GLY C 1 188 ? 37.480 10.504 183.272 1.00 26.81 ? ? ? ? ? ? 187 GLY C C 1 +ATOM 5420 O O . GLY C 1 188 ? 36.653 11.409 183.270 1.00 25.59 ? ? ? ? ? ? 187 GLY C O 1 +ATOM 5421 N N . GLU C 1 189 ? 38.721 10.643 183.712 1.00 27.94 ? ? ? ? ? ? 188 GLU C N 1 +ATOM 5422 C CA . GLU C 1 189 ? 39.219 11.895 184.229 1.00 30.54 ? ? ? ? ? ? 188 GLU C CA 1 +ATOM 5423 C C . GLU C 1 189 ? 39.255 12.933 183.100 1.00 30.61 ? ? ? ? ? ? 188 GLU C C 1 +ATOM 5424 O O . GLU C 1 189 ? 39.579 12.620 181.952 1.00 30.23 ? ? ? ? ? ? 188 GLU C O 1 +ATOM 5425 C CB . GLU C 1 189 ? 40.593 11.670 184.889 1.00 30.06 ? ? ? ? ? ? 188 GLU C CB 1 +ATOM 5426 N N . SER C 1 190 ? 38.856 14.162 183.414 1.00 32.04 ? ? ? ? ? ? 189 SER C N 1 +ATOM 5427 C CA . SER C 1 190 ? 38.749 15.223 182.418 1.00 32.67 ? ? ? ? ? ? 189 SER C CA 1 +ATOM 5428 C C . SER C 1 190 ? 39.410 16.519 182.922 1.00 33.69 ? ? ? ? ? ? 189 SER C C 1 +ATOM 5429 O O . SER C 1 190 ? 39.292 16.856 184.102 1.00 34.75 ? ? ? ? ? ? 189 SER C O 1 +ATOM 5430 C CB . SER C 1 190 ? 37.279 15.471 182.065 1.00 34.48 ? ? ? ? ? ? 189 SER C CB 1 +ATOM 5431 O OG . SER C 1 190 ? 36.509 15.879 183.199 1.00 38.34 ? ? ? ? ? ? 189 SER C OG 1 +ATOM 5432 N N . LYS C 1 191 ? 40.116 17.224 182.039 1.00 32.39 ? ? ? ? ? ? 190 LYS C N 1 +ATOM 5433 C CA . LYS C 1 191 ? 40.783 18.472 182.396 1.00 34.58 ? ? ? ? ? ? 190 LYS C CA 1 +ATOM 5434 C C . LYS C 1 191 ? 39.906 19.606 181.919 1.00 32.02 ? ? ? ? ? ? 190 LYS C C 1 +ATOM 5435 O O . LYS C 1 191 ? 39.335 19.505 180.834 1.00 31.30 ? ? ? ? ? ? 190 LYS C O 1 +ATOM 5436 C CB . LYS C 1 191 ? 42.148 18.608 181.733 1.00 34.94 ? ? ? ? ? ? 190 LYS C CB 1 +ATOM 5437 C CG . LYS C 1 191 ? 43.209 17.654 182.267 1.00 42.60 ? ? ? ? ? ? 190 LYS C CG 1 +ATOM 5438 C CD . LYS C 1 191 ? 44.595 17.914 181.617 1.00 44.02 ? ? ? ? ? ? 190 LYS C CD 1 +ATOM 5439 C CE . LYS C 1 191 ? 45.651 16.964 182.199 1.00 53.44 ? ? ? ? ? ? 190 LYS C CE 1 +ATOM 5440 N NZ . LYS C 1 191 ? 46.906 16.932 181.385 1.00 54.81 ? ? ? ? ? ? 190 LYS C NZ 1 +ATOM 5441 N N . PRO C 1 192 ? 39.770 20.674 182.728 1.00 30.85 ? ? ? ? ? ? 191 PRO C N 1 +ATOM 5442 C CA . PRO C 1 192 ? 39.043 21.883 182.346 1.00 29.53 ? ? ? ? ? ? 191 PRO C CA 1 +ATOM 5443 C C . PRO C 1 192 ? 39.847 22.824 181.472 1.00 26.97 ? ? ? ? ? ? 191 PRO C C 1 +ATOM 5444 O O . PRO C 1 192 ? 40.997 22.581 181.218 1.00 26.36 ? ? ? ? ? ? 191 PRO C O 1 +ATOM 5445 C CB . PRO C 1 192 ? 38.756 22.523 183.698 1.00 30.57 ? ? ? ? ? ? 191 PRO C CB 1 +ATOM 5446 C CG . PRO C 1 192 ? 39.964 22.213 184.496 1.00 31.84 ? ? ? ? ? ? 191 PRO C CG 1 +ATOM 5447 C CD . PRO C 1 192 ? 40.277 20.778 184.111 1.00 32.35 ? ? ? ? ? ? 191 PRO C CD 1 +ATOM 5448 N N . PHE C 1 193 ? 39.234 23.897 181.003 1.00 26.43 ? ? ? ? ? ? 192 PHE C N 1 +ATOM 5449 C CA . PHE C 1 193 ? 39.980 24.923 180.254 1.00 25.77 ? ? ? ? ? ? 192 PHE C CA 1 +ATOM 5450 C C . PHE C 1 193 ? 40.952 25.665 181.190 1.00 26.33 ? ? ? ? ? ? 192 PHE C C 1 +ATOM 5451 O O . PHE C 1 193 ? 40.780 25.611 182.416 1.00 25.97 ? ? ? ? ? ? 192 PHE C O 1 +ATOM 5452 C CB . PHE C 1 193 ? 39.011 25.933 179.620 1.00 25.55 ? ? ? ? ? ? 192 PHE C CB 1 +ATOM 5453 C CG . PHE C 1 193 ? 37.995 25.300 178.698 1.00 24.45 ? ? ? ? ? ? 192 PHE C CG 1 +ATOM 5454 C CD1 . PHE C 1 193 ? 38.412 24.649 177.538 1.00 24.45 ? ? ? ? ? ? 192 PHE C CD1 1 +ATOM 5455 C CD2 . PHE C 1 193 ? 36.647 25.351 178.980 1.00 25.05 ? ? ? ? ? ? 192 PHE C CD2 1 +ATOM 5456 C CE1 . PHE C 1 193 ? 37.506 24.069 176.679 1.00 24.88 ? ? ? ? ? ? 192 PHE C CE1 1 +ATOM 5457 C CE2 . PHE C 1 193 ? 35.720 24.761 178.111 1.00 28.26 ? ? ? ? ? ? 192 PHE C CE2 1 +ATOM 5458 C CZ . PHE C 1 193 ? 36.161 24.115 176.963 1.00 23.04 ? ? ? ? ? ? 192 PHE C CZ 1 +ATOM 5459 N N . ALA C 1 194 ? 41.946 26.340 180.606 1.00 26.12 ? ? ? ? ? ? 193 ALA C N 1 +ATOM 5460 C CA . ALA C 1 194 ? 42.810 27.267 181.328 1.00 27.44 ? ? ? ? ? ? 193 ALA C CA 1 +ATOM 5461 C C . ALA C 1 194 ? 42.251 28.691 181.340 1.00 28.22 ? ? ? ? ? ? 193 ALA C C 1 +ATOM 5462 O O . ALA C 1 194 ? 42.781 29.545 182.034 1.00 29.62 ? ? ? ? ? ? 193 ALA C O 1 +ATOM 5463 C CB . ALA C 1 194 ? 44.196 27.261 180.736 1.00 26.45 ? ? ? ? ? ? 193 ALA C CB 1 +ATOM 5464 N N . ILE C 1 195 ? 41.188 28.934 180.567 1.00 28.27 ? ? ? ? ? ? 194 ILE C N 1 +ATOM 5465 C CA . ILE C 1 195 ? 40.437 30.196 180.594 1.00 25.43 ? ? ? ? ? ? 194 ILE C CA 1 +ATOM 5466 C C . ILE C 1 195 ? 39.297 30.028 181.612 1.00 26.62 ? ? ? ? ? ? 194 ILE C C 1 +ATOM 5467 O O . ILE C 1 195 ? 38.334 29.268 181.369 1.00 26.86 ? ? ? ? ? ? 194 ILE C O 1 +ATOM 5468 C CB . ILE C 1 195 ? 39.916 30.581 179.183 1.00 25.88 ? ? ? ? ? ? 194 ILE C CB 1 +ATOM 5469 C CG1 . ILE C 1 195 ? 41.083 30.607 178.177 1.00 23.74 ? ? ? ? ? ? 194 ILE C CG1 1 +ATOM 5470 C CG2 . ILE C 1 195 ? 39.169 31.949 179.214 1.00 24.91 ? ? ? ? ? ? 194 ILE C CG2 1 +ATOM 5471 C CD1 . ILE C 1 195 ? 40.656 30.783 176.663 1.00 25.04 ? ? ? ? ? ? 194 ILE C CD1 1 +ATOM 5472 N N . ALA C 1 196 ? 39.425 30.729 182.751 1.00 25.65 ? ? ? ? ? ? 195 ALA C N 1 +ATOM 5473 C CA . ALA C 1 196 ? 38.523 30.571 183.899 1.00 25.39 ? ? ? ? ? ? 195 ALA C CA 1 +ATOM 5474 C C . ALA C 1 196 ? 37.057 30.791 183.546 1.00 24.50 ? ? ? ? ? ? 195 ALA C C 1 +ATOM 5475 O O . ALA C 1 196 ? 36.181 29.999 183.907 1.00 25.67 ? ? ? ? ? ? 195 ALA C O 1 +ATOM 5476 C CB . ALA C 1 196 ? 38.944 31.520 185.069 1.00 24.59 ? ? ? ? ? ? 195 ALA C CB 1 +ATOM 5477 N N . SER C 1 197 ? 36.800 31.859 182.815 1.00 24.54 ? ? ? ? ? ? 196 SER C N 1 +ATOM 5478 C CA . SER C 1 197 ? 35.427 32.246 182.443 1.00 23.97 ? ? ? ? ? ? 196 SER C CA 1 +ATOM 5479 C C . SER C 1 197 ? 34.724 31.196 181.585 1.00 23.90 ? ? ? ? ? ? 196 SER C C 1 +ATOM 5480 O O . SER C 1 197 ? 33.498 31.062 181.656 1.00 23.98 ? ? ? ? ? ? 196 SER C O 1 +ATOM 5481 C CB . SER C 1 197 ? 35.459 33.580 181.705 1.00 26.49 ? ? ? ? ? ? 196 SER C CB 1 +ATOM 5482 O OG . SER C 1 197 ? 36.182 34.565 182.445 1.00 29.06 ? ? ? ? ? ? 196 SER C OG 1 +ATOM 5483 N N . LEU C 1 198 ? 35.475 30.446 180.778 1.00 23.76 ? ? ? ? ? ? 197 LEU C N 1 +ATOM 5484 C CA . LEU C 1 198 ? 34.874 29.337 179.994 1.00 24.31 ? ? ? ? ? ? 197 LEU C CA 1 +ATOM 5485 C C . LEU C 1 198 ? 34.440 28.174 180.905 1.00 25.20 ? ? ? ? ? ? 197 LEU C C 1 +ATOM 5486 O O . LEU C 1 198 ? 33.385 27.589 180.711 1.00 26.36 ? ? ? ? ? ? 197 LEU C O 1 +ATOM 5487 C CB . LEU C 1 198 ? 35.825 28.839 178.883 1.00 23.33 ? ? ? ? ? ? 197 LEU C CB 1 +ATOM 5488 C CG . LEU C 1 198 ? 36.151 29.889 177.815 1.00 25.36 ? ? ? ? ? ? 197 LEU C CG 1 +ATOM 5489 C CD1 . LEU C 1 198 ? 37.196 29.385 176.813 1.00 24.99 ? ? ? ? ? ? 197 LEU C CD1 1 +ATOM 5490 C CD2 . LEU C 1 198 ? 34.879 30.358 177.103 1.00 22.03 ? ? ? ? ? ? 197 LEU C CD2 1 +ATOM 5491 N N . ASN C 1 199 ? 35.234 27.861 181.917 1.00 26.93 ? ? ? ? ? ? 198 ASN C N 1 +ATOM 5492 C CA . ASN C 1 199 ? 34.833 26.871 182.930 1.00 27.39 ? ? ? ? ? ? 198 ASN C CA 1 +ATOM 5493 C C . ASN C 1 199 ? 33.607 27.303 183.727 1.00 27.79 ? ? ? ? ? ? 198 ASN C C 1 +ATOM 5494 O O . ASN C 1 199 ? 32.798 26.459 184.127 1.00 27.82 ? ? ? ? ? ? 198 ASN C O 1 +ATOM 5495 C CB . ASN C 1 199 ? 35.979 26.614 183.912 1.00 26.74 ? ? ? ? ? ? 198 ASN C CB 1 +ATOM 5496 C CG . ASN C 1 199 ? 37.185 26.001 183.259 1.00 28.10 ? ? ? ? ? ? 198 ASN C CG 1 +ATOM 5497 O OD1 . ASN C 1 199 ? 37.063 25.146 182.363 1.00 31.57 ? ? ? ? ? ? 198 ASN C OD1 1 +ATOM 5498 N ND2 . ASN C 1 199 ? 38.380 26.418 183.707 1.00 28.91 ? ? ? ? ? ? 198 ASN C ND2 1 +ATOM 5499 N N . GLU C 1 200 ? 33.486 28.611 183.955 1.00 28.77 ? ? ? ? ? ? 199 GLU C N 1 +ATOM 5500 C CA . GLU C 1 200 ? 32.353 29.210 184.655 1.00 31.29 ? ? ? ? ? ? 199 GLU C CA 1 +ATOM 5501 C C . GLU C 1 200 ? 31.171 29.449 183.703 1.00 30.39 ? ? ? ? ? ? 199 GLU C C 1 +ATOM 5502 O O . GLU C 1 200 ? 30.101 29.883 184.153 1.00 29.99 ? ? ? ? ? ? 199 GLU C O 1 +ATOM 5503 C CB . GLU C 1 200 ? 32.750 30.554 185.304 1.00 31.41 ? ? ? ? ? ? 199 GLU C CB 1 +ATOM 5504 C CG . GLU C 1 200 ? 33.971 30.542 186.250 1.00 37.50 ? ? ? ? ? ? 199 GLU C CG 1 +ATOM 5505 C CD . GLU C 1 200 ? 34.651 31.965 186.434 1.00 41.28 ? ? ? ? ? ? 199 GLU C CD 1 +ATOM 5506 O OE1 . GLU C 1 200 ? 34.232 32.992 185.801 1.00 48.09 ? ? ? ? ? ? 199 GLU C OE1 1 +ATOM 5507 O OE2 . GLU C 1 200 ? 35.637 32.043 187.222 1.00 55.99 ? ? ? ? ? ? 199 GLU C OE2 1 +ATOM 5508 N N . LYS C 1 201 ? 31.388 29.238 182.398 1.00 30.33 ? ? ? ? ? ? 200 LYS C N 1 +ATOM 5509 C CA . LYS C 1 201 ? 30.325 29.271 181.364 1.00 29.92 ? ? ? ? ? ? 200 LYS C CA 1 +ATOM 5510 C C . LYS C 1 201 ? 29.819 30.654 181.019 1.00 27.75 ? ? ? ? ? ? 200 LYS C C 1 +ATOM 5511 O O . LYS C 1 201 ? 28.655 30.832 180.667 1.00 27.80 ? ? ? ? ? ? 200 LYS C O 1 +ATOM 5512 C CB . LYS C 1 201 ? 29.166 28.344 181.733 1.00 28.96 ? ? ? ? ? ? 200 LYS C CB 1 +ATOM 5513 C CG . LYS C 1 201 ? 29.642 26.922 182.009 1.00 36.31 ? ? ? ? ? ? 200 LYS C CG 1 +ATOM 5514 C CD . LYS C 1 201 ? 28.492 25.943 181.991 1.00 42.22 ? ? ? ? ? ? 200 LYS C CD 1 +ATOM 5515 C CE . LYS C 1 201 ? 28.951 24.497 182.175 1.00 50.54 ? ? ? ? ? ? 200 LYS C CE 1 +ATOM 5516 N NZ . LYS C 1 201 ? 27.801 23.546 182.007 1.00 53.22 ? ? ? ? ? ? 200 LYS C NZ 1 +ATOM 5517 N N . VAL C 1 202 ? 30.701 31.639 181.106 1.00 25.64 ? ? ? ? ? ? 201 VAL C N 1 +ATOM 5518 C CA . VAL C 1 202 ? 30.355 32.983 180.665 1.00 24.60 ? ? ? ? ? ? 201 VAL C CA 1 +ATOM 5519 C C . VAL C 1 202 ? 30.137 32.894 179.148 1.00 23.81 ? ? ? ? ? ? 201 VAL C C 1 +ATOM 5520 O O . VAL C 1 202 ? 29.253 33.543 178.625 1.00 23.03 ? ? ? ? ? ? 201 VAL C O 1 +ATOM 5521 C CB . VAL C 1 202 ? 31.465 33.991 181.023 1.00 24.64 ? ? ? ? ? ? 201 VAL C CB 1 +ATOM 5522 C CG1 . VAL C 1 202 ? 31.069 35.397 180.592 1.00 20.65 ? ? ? ? ? ? 201 VAL C CG1 1 +ATOM 5523 C CG2 . VAL C 1 202 ? 31.788 33.915 182.526 1.00 24.87 ? ? ? ? ? ? 201 VAL C CG2 1 +ATOM 5524 N N . ALA C 1 203 ? 30.951 32.066 178.477 1.00 22.57 ? ? ? ? ? ? 202 ALA C N 1 +ATOM 5525 C CA . ALA C 1 203 ? 30.844 31.789 177.038 1.00 20.99 ? ? ? ? ? ? 202 ALA C CA 1 +ATOM 5526 C C . ALA C 1 203 ? 31.101 30.291 176.829 1.00 22.01 ? ? ? ? ? ? 202 ALA C C 1 +ATOM 5527 O O . ALA C 1 203 ? 31.735 29.645 177.656 1.00 22.05 ? ? ? ? ? ? 202 ALA C O 1 +ATOM 5528 C CB . ALA C 1 203 ? 31.894 32.640 176.229 1.00 18.36 ? ? ? ? ? ? 202 ALA C CB 1 +ATOM 5529 N N . TRP C 1 204 ? 30.633 29.762 175.703 1.00 22.46 ? ? ? ? ? ? 203 TRP C N 1 +ATOM 5530 C CA . TRP C 1 204 ? 30.829 28.344 175.325 1.00 20.90 ? ? ? ? ? ? 203 TRP C CA 1 +ATOM 5531 C C . TRP C 1 204 ? 31.962 28.177 174.283 1.00 20.55 ? ? ? ? ? ? 203 TRP C C 1 +ATOM 5532 O O . TRP C 1 204 ? 32.065 28.935 173.303 1.00 18.68 ? ? ? ? ? ? 203 TRP C O 1 +ATOM 5533 C CB . TRP C 1 204 ? 29.512 27.781 174.792 1.00 19.92 ? ? ? ? ? ? 203 TRP C CB 1 +ATOM 5534 C CG . TRP C 1 204 ? 29.553 26.338 174.370 1.00 22.07 ? ? ? ? ? ? 203 TRP C CG 1 +ATOM 5535 C CD1 . TRP C 1 204 ? 29.323 25.233 175.158 1.00 25.05 ? ? ? ? ? ? 203 TRP C CD1 1 +ATOM 5536 C CD2 . TRP C 1 204 ? 29.839 25.838 173.060 1.00 20.25 ? ? ? ? ? ? 203 TRP C CD2 1 +ATOM 5537 N NE1 . TRP C 1 204 ? 29.463 24.078 174.414 1.00 24.31 ? ? ? ? ? ? 203 TRP C NE1 1 +ATOM 5538 C CE2 . TRP C 1 204 ? 29.800 24.416 173.131 1.00 24.74 ? ? ? ? ? ? 203 TRP C CE2 1 +ATOM 5539 C CE3 . TRP C 1 204 ? 30.166 26.447 171.843 1.00 20.05 ? ? ? ? ? ? 203 TRP C CE3 1 +ATOM 5540 C CZ2 . TRP C 1 204 ? 30.020 23.600 172.007 1.00 25.84 ? ? ? ? ? ? 203 TRP C CZ2 1 +ATOM 5541 C CZ3 . TRP C 1 204 ? 30.414 25.637 170.737 1.00 22.07 ? ? ? ? ? ? 203 TRP C CZ3 1 +ATOM 5542 C CH2 . TRP C 1 204 ? 30.327 24.233 170.822 1.00 20.50 ? ? ? ? ? ? 203 TRP C CH2 1 +ATOM 5543 N N . VAL C 1 205 ? 32.821 27.190 174.544 1.00 20.11 ? ? ? ? ? ? 204 VAL C N 1 +ATOM 5544 C CA . VAL C 1 205 ? 33.815 26.697 173.602 1.00 20.61 ? ? ? ? ? ? 204 VAL C CA 1 +ATOM 5545 C C . VAL C 1 205 ? 33.711 25.202 173.730 1.00 21.85 ? ? ? ? ? ? 204 VAL C C 1 +ATOM 5546 O O . VAL C 1 205 ? 33.533 24.704 174.843 1.00 21.75 ? ? ? ? ? ? 204 VAL C O 1 +ATOM 5547 C CB . VAL C 1 205 ? 35.254 27.171 173.914 1.00 21.47 ? ? ? ? ? ? 204 VAL C CB 1 +ATOM 5548 C CG1 . VAL C 1 205 ? 36.332 26.365 173.082 1.00 19.85 ? ? ? ? ? ? 204 VAL C CG1 1 +ATOM 5549 C CG2 . VAL C 1 205 ? 35.365 28.679 173.631 1.00 18.77 ? ? ? ? ? ? 204 VAL C CG2 1 +ATOM 5550 N N . PRO C 1 206 ? 33.793 24.475 172.598 1.00 21.38 ? ? ? ? ? ? 205 PRO C N 1 +ATOM 5551 C CA . PRO C 1 206 ? 33.731 23.011 172.706 1.00 22.54 ? ? ? ? ? ? 205 PRO C CA 1 +ATOM 5552 C C . PRO C 1 206 ? 34.948 22.453 173.453 1.00 22.76 ? ? ? ? ? ? 205 PRO C C 1 +ATOM 5553 O O . PRO C 1 206 ? 36.057 22.965 173.322 1.00 23.52 ? ? ? ? ? ? 205 PRO C O 1 +ATOM 5554 C CB . PRO C 1 206 ? 33.751 22.549 171.245 1.00 23.09 ? ? ? ? ? ? 205 PRO C CB 1 +ATOM 5555 C CG . PRO C 1 206 ? 34.422 23.690 170.489 1.00 22.31 ? ? ? ? ? ? 205 PRO C CG 1 +ATOM 5556 C CD . PRO C 1 206 ? 33.988 24.936 171.210 1.00 18.90 ? ? ? ? ? ? 205 PRO C CD 1 +ATOM 5557 N N . ARG C 1 207 ? 34.739 21.411 174.232 1.00 23.52 ? ? ? ? ? ? 206 ARG C N 1 +ATOM 5558 C CA . ARG C 1 207 ? 35.831 20.682 174.847 1.00 25.18 ? ? ? ? ? ? 206 ARG C CA 1 +ATOM 5559 C C . ARG C 1 207 ? 36.699 20.052 173.763 1.00 22.53 ? ? ? ? ? ? 206 ARG C C 1 +ATOM 5560 O O . ARG C 1 207 ? 36.165 19.519 172.817 1.00 21.31 ? ? ? ? ? ? 206 ARG C O 1 +ATOM 5561 C CB . ARG C 1 207 ? 35.275 19.574 175.755 1.00 25.43 ? ? ? ? ? ? 206 ARG C CB 1 +ATOM 5562 C CG . ARG C 1 207 ? 36.313 18.584 176.257 1.00 29.91 ? ? ? ? ? ? 206 ARG C CG 1 +ATOM 5563 C CD . ARG C 1 207 ? 35.676 17.386 176.956 1.00 32.05 ? ? ? ? ? ? 206 ARG C CD 1 +ATOM 5564 N NE . ARG C 1 207 ? 35.189 17.760 178.280 1.00 43.57 ? ? ? ? ? ? 206 ARG C NE 1 +ATOM 5565 C CZ . ARG C 1 207 ? 33.915 17.951 178.631 1.00 48.25 ? ? ? ? ? ? 206 ARG C CZ 1 +ATOM 5566 N NH1 . ARG C 1 207 ? 32.923 17.767 177.768 1.00 44.68 ? ? ? ? ? ? 206 ARG C NH1 1 +ATOM 5567 N NH2 . ARG C 1 207 ? 33.640 18.308 179.889 1.00 47.45 ? ? ? ? ? ? 206 ARG C NH2 1 +ATOM 5568 N N . HIS C 1 208 ? 38.031 20.115 173.929 1.00 22.78 ? ? ? ? ? ? 207 HIS C N 1 +ATOM 5569 C CA . HIS C 1 208 ? 38.979 19.414 173.072 1.00 22.30 ? ? ? ? ? ? 207 HIS C CA 1 +ATOM 5570 C C . HIS C 1 208 ? 39.318 18.084 173.721 1.00 23.90 ? ? ? ? ? ? 207 HIS C C 1 +ATOM 5571 O O . HIS C 1 208 ? 39.945 18.038 174.765 1.00 23.54 ? ? ? ? ? ? 207 HIS C O 1 +ATOM 5572 C CB . HIS C 1 208 ? 40.240 20.257 172.827 1.00 23.50 ? ? ? ? ? ? 207 HIS C CB 1 +ATOM 5573 C CG . HIS C 1 208 ? 39.986 21.472 171.990 1.00 22.08 ? ? ? ? ? ? 207 HIS C CG 1 +ATOM 5574 N ND1 . HIS C 1 208 ? 40.885 21.934 171.064 1.00 23.90 ? ? ? ? ? ? 207 HIS C ND1 1 +ATOM 5575 C CD2 . HIS C 1 208 ? 38.914 22.297 171.923 1.00 19.90 ? ? ? ? ? ? 207 HIS C CD2 1 +ATOM 5576 C CE1 . HIS C 1 208 ? 40.389 23.004 170.468 1.00 24.61 ? ? ? ? ? ? 207 HIS C CE1 1 +ATOM 5577 N NE2 . HIS C 1 208 ? 39.194 23.248 170.973 1.00 24.20 ? ? ? ? ? ? 207 HIS C NE2 1 +ATOM 5578 N N . TRP C 1 209 ? 38.865 17.004 173.095 1.00 24.31 ? ? ? ? ? ? 208 TRP C N 1 +ATOM 5579 C CA . TRP C 1 209 ? 39.005 15.648 173.629 1.00 24.27 ? ? ? ? ? ? 208 TRP C CA 1 +ATOM 5580 C C . TRP C 1 209 ? 40.468 15.224 173.803 1.00 25.51 ? ? ? ? ? ? 208 TRP C C 1 +ATOM 5581 O O . TRP C 1 209 ? 40.794 14.484 174.735 1.00 25.73 ? ? ? ? ? ? 208 TRP C O 1 +ATOM 5582 C CB . TRP C 1 209 ? 38.253 14.636 172.739 1.00 23.80 ? ? ? ? ? ? 208 TRP C CB 1 +ATOM 5583 C CG . TRP C 1 209 ? 37.063 13.992 173.377 1.00 22.17 ? ? ? ? ? ? 208 TRP C CG 1 +ATOM 5584 C CD1 . TRP C 1 209 ? 36.970 12.678 173.813 1.00 20.57 ? ? ? ? ? ? 208 TRP C CD1 1 +ATOM 5585 C CD2 . TRP C 1 209 ? 35.798 14.601 173.684 1.00 24.62 ? ? ? ? ? ? 208 TRP C CD2 1 +ATOM 5586 N NE1 . TRP C 1 209 ? 35.736 12.457 174.381 1.00 24.31 ? ? ? ? ? ? 208 TRP C NE1 1 +ATOM 5587 C CE2 . TRP C 1 209 ? 34.988 13.602 174.302 1.00 24.55 ? ? ? ? ? ? 208 TRP C CE2 1 +ATOM 5588 C CE3 . TRP C 1 209 ? 35.263 15.884 173.496 1.00 25.08 ? ? ? ? ? ? 208 TRP C CE3 1 +ATOM 5589 C CZ2 . TRP C 1 209 ? 33.676 13.849 174.728 1.00 24.10 ? ? ? ? ? ? 208 TRP C CZ2 1 +ATOM 5590 C CZ3 . TRP C 1 209 ? 33.952 16.125 173.911 1.00 28.44 ? ? ? ? ? ? 208 TRP C CZ3 1 +ATOM 5591 C CH2 . TRP C 1 209 ? 33.173 15.104 174.517 1.00 27.21 ? ? ? ? ? ? 208 TRP C CH2 1 +ATOM 5592 N N . ASP C 1 210 ? 41.331 15.652 172.894 1.00 25.73 ? ? ? ? ? ? 209 ASP C N 1 +ATOM 5593 C CA . ASP C 1 210 ? 42.758 15.304 172.944 1.00 28.04 ? ? ? ? ? ? 209 ASP C CA 1 +ATOM 5594 C C . ASP C 1 210 ? 43.461 15.959 174.138 1.00 29.25 ? ? ? ? ? ? 209 ASP C C 1 +ATOM 5595 O O . ASP C 1 210 ? 44.347 15.368 174.708 1.00 29.61 ? ? ? ? ? ? 209 ASP C O 1 +ATOM 5596 C CB . ASP C 1 210 ? 43.498 15.611 171.624 1.00 26.52 ? ? ? ? ? ? 209 ASP C CB 1 +ATOM 5597 C CG . ASP C 1 210 ? 43.466 17.089 171.221 1.00 30.13 ? ? ? ? ? ? 209 ASP C CG 1 +ATOM 5598 O OD1 . ASP C 1 210 ? 42.397 17.732 171.270 1.00 28.01 ? ? ? ? ? ? 209 ASP C OD1 1 +ATOM 5599 O OD2 . ASP C 1 210 ? 44.535 17.603 170.808 1.00 36.59 ? ? ? ? ? ? 209 ASP C OD2 1 +ATOM 5600 N N . LYS C 1 211 ? 43.012 17.147 174.542 1.00 29.89 ? ? ? ? ? ? 210 LYS C N 1 +ATOM 5601 C CA . LYS C 1 211 ? 43.578 17.846 175.695 1.00 29.85 ? ? ? ? ? ? 210 LYS C CA 1 +ATOM 5602 C C . LYS C 1 211 ? 42.856 17.516 176.984 1.00 29.59 ? ? ? ? ? ? 210 LYS C C 1 +ATOM 5603 O O . LYS C 1 211 ? 43.449 17.608 178.038 1.00 31.27 ? ? ? ? ? ? 210 LYS C O 1 +ATOM 5604 C CB . LYS C 1 211 ? 43.509 19.362 175.497 1.00 30.40 ? ? ? ? ? ? 210 LYS C CB 1 +ATOM 5605 C CG . LYS C 1 211 ? 44.088 19.900 174.211 1.00 31.45 ? ? ? ? ? ? 210 LYS C CG 1 +ATOM 5606 C CD . LYS C 1 211 ? 45.574 19.657 174.097 1.00 40.07 ? ? ? ? ? ? 210 LYS C CD 1 +ATOM 5607 C CE . LYS C 1 211 ? 46.232 20.602 173.060 1.00 45.96 ? ? ? ? ? ? 210 LYS C CE 1 +ATOM 5608 N NZ . LYS C 1 211 ? 45.339 20.958 171.884 1.00 51.09 ? ? ? ? ? ? 210 LYS C NZ 1 +ATOM 5609 N N . ALA C 1 212 ? 41.588 17.130 176.891 1.00 28.82 ? ? ? ? ? ? 211 ALA C N 1 +ATOM 5610 C CA . ALA C 1 212 ? 40.667 17.119 178.019 1.00 28.94 ? ? ? ? ? ? 211 ALA C CA 1 +ATOM 5611 C C . ALA C 1 212 ? 40.389 15.755 178.622 1.00 30.41 ? ? ? ? ? ? 211 ALA C C 1 +ATOM 5612 O O . ALA C 1 212 ? 39.960 15.690 179.753 1.00 31.96 ? ? ? ? ? ? 211 ALA C O 1 +ATOM 5613 C CB . ALA C 1 212 ? 39.372 17.737 177.618 1.00 29.46 ? ? ? ? ? ? 211 ALA C CB 1 +ATOM 5614 N N . THR C 1 213 ? 40.623 14.681 177.866 1.00 30.43 ? ? ? ? ? ? 212 THR C N 1 +ATOM 5615 C CA A THR C 1 213 ? 40.324 13.322 178.307 0.50 31.88 ? ? ? ? ? ? 212 THR C CA 1 +ATOM 5616 C CA B THR C 1 213 ? 40.345 13.323 178.320 0.50 30.15 ? ? ? ? ? ? 212 THR C CA 1 +ATOM 5617 C C . THR C 1 213 ? 41.498 12.386 178.018 1.00 32.28 ? ? ? ? ? ? 212 THR C C 1 +ATOM 5618 O O . THR C 1 213 ? 42.325 12.656 177.178 1.00 35.24 ? ? ? ? ? ? 212 THR C O 1 +ATOM 5619 C CB A THR C 1 213 ? 39.084 12.767 177.589 0.50 31.90 ? ? ? ? ? ? 212 THR C CB 1 +ATOM 5620 C CB B THR C 1 213 ? 39.131 12.687 177.637 0.50 29.67 ? ? ? ? ? ? 212 THR C CB 1 +ATOM 5621 O OG1 A THR C 1 213 ? 39.337 12.718 176.182 0.50 33.05 ? ? ? ? ? ? 212 THR C OG1 1 +ATOM 5622 O OG1 B THR C 1 213 ? 38.119 13.667 177.346 0.50 31.34 ? ? ? ? ? ? 212 THR C OG1 1 +ATOM 5623 C CG2 A THR C 1 213 ? 37.867 13.644 177.829 0.50 35.01 ? ? ? ? ? ? 212 THR C CG2 1 +ATOM 5624 C CG2 B THR C 1 213 ? 38.596 11.600 178.530 0.50 18.27 ? ? ? ? ? ? 212 THR C CG2 1 +ATOM 5625 N N . VAL C 1 214 ? 41.530 11.266 178.708 1.00 32.93 ? ? ? ? ? ? 213 VAL C N 1 +ATOM 5626 C CA . VAL C 1 214 ? 42.584 10.295 178.537 1.00 33.36 ? ? ? ? ? ? 213 VAL C CA 1 +ATOM 5627 C C . VAL C 1 214 ? 42.035 9.038 177.850 1.00 31.29 ? ? ? ? ? ? 213 VAL C C 1 +ATOM 5628 O O . VAL C 1 214 ? 42.649 8.509 176.946 1.00 31.50 ? ? ? ? ? ? 213 VAL C O 1 +ATOM 5629 C CB . VAL C 1 214 ? 43.205 9.960 179.923 1.00 35.71 ? ? ? ? ? ? 213 VAL C CB 1 +ATOM 5630 C CG1 . VAL C 1 214 ? 44.330 8.952 179.782 1.00 36.41 ? ? ? ? ? ? 213 VAL C CG1 1 +ATOM 5631 C CG2 . VAL C 1 214 ? 43.702 11.266 180.604 1.00 39.11 ? ? ? ? ? ? 213 VAL C CG2 1 +ATOM 5632 N N . ASP C 1 215 ? 40.865 8.584 178.282 1.00 29.01 ? ? ? ? ? ? 214 ASP C N 1 +ATOM 5633 C CA . ASP C 1 215 ? 40.288 7.338 177.782 1.00 28.94 ? ? ? ? ? ? 214 ASP C CA 1 +ATOM 5634 C C . ASP C 1 215 ? 39.087 7.603 176.853 1.00 27.10 ? ? ? ? ? ? 214 ASP C C 1 +ATOM 5635 O O . ASP C 1 215 ? 38.403 6.676 176.474 1.00 25.67 ? ? ? ? ? ? 214 ASP C O 1 +ATOM 5636 C CB . ASP C 1 215 ? 39.928 6.388 178.962 1.00 28.34 ? ? ? ? ? ? 214 ASP C CB 1 +ATOM 5637 C CG . ASP C 1 215 ? 39.078 7.061 180.060 1.00 32.00 ? ? ? ? ? ? 214 ASP C CG 1 +ATOM 5638 O OD1 . ASP C 1 215 ? 38.264 7.923 179.714 1.00 33.59 ? ? ? ? ? ? 214 ASP C OD1 1 +ATOM 5639 O OD2 . ASP C 1 215 ? 39.184 6.700 181.254 1.00 29.47 ? ? ? ? ? ? 214 ASP C OD2 1 +ATOM 5640 N N . SER C 1 216 ? 38.876 8.874 176.501 1.00 25.71 ? ? ? ? ? ? 215 SER C N 1 +ATOM 5641 C CA . SER C 1 216 ? 37.701 9.362 175.764 1.00 25.38 ? ? ? ? ? ? 215 SER C CA 1 +ATOM 5642 C C . SER C 1 216 ? 36.398 9.544 176.593 1.00 25.17 ? ? ? ? ? ? 215 SER C C 1 +ATOM 5643 O O . SER C 1 216 ? 35.456 10.140 176.103 1.00 26.49 ? ? ? ? ? ? 215 SER C O 1 +ATOM 5644 C CB . SER C 1 216 ? 37.422 8.545 174.484 1.00 23.11 ? ? ? ? ? ? 215 SER C CB 1 +ATOM 5645 O OG . SER C 1 216 ? 36.504 7.489 174.692 1.00 23.58 ? ? ? ? ? ? 215 SER C OG 1 +ATOM 5646 N N . GLY C 1 217 ? 36.345 9.070 177.840 1.00 24.02 ? ? ? ? ? ? 216 GLY C N 1 +ATOM 5647 C CA . GLY C 1 217 ? 35.174 9.319 178.711 1.00 22.64 ? ? ? ? ? ? 216 GLY C CA 1 +ATOM 5648 C C . GLY C 1 217 ? 35.273 10.634 179.455 1.00 22.56 ? ? ? ? ? ? 216 GLY C C 1 +ATOM 5649 O O . GLY C 1 217 ? 36.352 11.144 179.669 1.00 22.19 ? ? ? ? ? ? 216 GLY C O 1 +ATOM 5650 N N . VAL C 1 218 ? 34.138 11.196 179.841 1.00 23.42 ? ? ? ? ? ? 217 VAL C N 1 +ATOM 5651 C CA . VAL C 1 218 ? 34.110 12.369 180.707 1.00 23.77 ? ? ? ? ? ? 217 VAL C CA 1 +ATOM 5652 C C . VAL C 1 218 ? 33.168 12.051 181.866 1.00 24.64 ? ? ? ? ? ? 217 VAL C C 1 +ATOM 5653 O O . VAL C 1 218 ? 31.972 12.250 181.778 1.00 23.67 ? ? ? ? ? ? 217 VAL C O 1 +ATOM 5654 C CB . VAL C 1 218 ? 33.666 13.644 179.971 1.00 24.36 ? ? ? ? ? ? 217 VAL C CB 1 +ATOM 5655 C CG1 . VAL C 1 218 ? 33.819 14.865 180.895 1.00 22.54 ? ? ? ? ? ? 217 VAL C CG1 1 +ATOM 5656 C CG2 . VAL C 1 218 ? 34.448 13.829 178.670 1.00 20.78 ? ? ? ? ? ? 217 VAL C CG2 1 +ATOM 5657 N N . GLY C 1 219 ? 33.743 11.522 182.948 1.00 25.27 ? ? ? ? ? ? 218 GLY C N 1 +ATOM 5658 C CA . GLY C 1 219 ? 32.985 11.105 184.112 1.00 25.74 ? ? ? ? ? ? 218 GLY C CA 1 +ATOM 5659 C C . GLY C 1 219 ? 33.354 9.692 184.502 1.00 26.36 ? ? ? ? ? ? 218 GLY C C 1 +ATOM 5660 O O . GLY C 1 219 ? 33.546 8.844 183.654 1.00 25.82 ? ? ? ? ? ? 218 GLY C O 1 +ATOM 5661 N N . ASN C 1 220 ? 33.462 9.456 185.806 1.00 27.29 ? ? ? ? ? ? 219 ASN C N 1 +ATOM 5662 C CA . ASN C 1 220 ? 33.822 8.143 186.340 1.00 26.40 ? ? ? ? ? ? 219 ASN C CA 1 +ATOM 5663 C C . ASN C 1 220 ? 32.576 7.302 186.322 1.00 24.55 ? ? ? ? ? ? 219 ASN C C 1 +ATOM 5664 O O . ASN C 1 220 ? 31.602 7.704 186.928 1.00 25.15 ? ? ? ? ? ? 219 ASN C O 1 +ATOM 5665 C CB . ASN C 1 220 ? 34.346 8.280 187.775 1.00 27.47 ? ? ? ? ? ? 219 ASN C CB 1 +ATOM 5666 C CG . ASN C 1 220 ? 35.061 7.033 188.266 1.00 25.13 ? ? ? ? ? ? 219 ASN C CG 1 +ATOM 5667 O OD1 . ASN C 1 220 ? 34.651 5.923 187.968 1.00 28.98 ? ? ? ? ? ? 219 ASN C OD1 1 +ATOM 5668 N ND2 . ASN C 1 220 ? 36.092 7.221 189.065 1.00 20.75 ? ? ? ? ? ? 219 ASN C ND2 1 +ATOM 5669 N N . PRO C 1 221 ? 32.588 6.171 185.582 1.00 23.37 ? ? ? ? ? ? 220 PRO C N 1 +ATOM 5670 C CA . PRO C 1 221 ? 31.433 5.307 185.410 1.00 24.79 ? ? ? ? ? ? 220 PRO C CA 1 +ATOM 5671 C C . PRO C 1 221 ? 31.359 4.110 186.369 1.00 25.68 ? ? ? ? ? ? 220 PRO C C 1 +ATOM 5672 O O . PRO C 1 221 ? 30.419 3.342 186.314 1.00 24.55 ? ? ? ? ? ? 220 PRO C O 1 +ATOM 5673 C CB . PRO C 1 221 ? 31.655 4.780 183.995 1.00 24.66 ? ? ? ? ? ? 220 PRO C CB 1 +ATOM 5674 C CG . PRO C 1 221 ? 33.173 4.580 183.940 1.00 18.37 ? ? ? ? ? ? 220 PRO C CG 1 +ATOM 5675 C CD . PRO C 1 221 ? 33.750 5.671 184.808 1.00 23.24 ? ? ? ? ? ? 220 PRO C CD 1 +ATOM 5676 N N . LYS C 1 222 ? 32.353 3.947 187.223 1.00 27.72 ? ? ? ? ? ? 221 LYS C N 1 +ATOM 5677 C CA . LYS C 1 222 ? 32.565 2.671 187.933 1.00 31.78 ? ? ? ? ? ? 221 LYS C CA 1 +ATOM 5678 C C . LYS C 1 222 ? 31.519 2.291 189.013 1.00 27.18 ? ? ? ? ? ? 221 LYS C C 1 +ATOM 5679 O O . LYS C 1 222 ? 31.431 1.131 189.383 1.00 27.47 ? ? ? ? ? ? 221 LYS C O 1 +ATOM 5680 C CB . LYS C 1 222 ? 34.009 2.626 188.478 1.00 33.49 ? ? ? ? ? ? 221 LYS C CB 1 +ATOM 5681 C CG . LYS C 1 222 ? 35.039 2.609 187.336 1.00 35.83 ? ? ? ? ? ? 221 LYS C CG 1 +ATOM 5682 C CD . LYS C 1 222 ? 36.470 2.522 187.847 1.00 36.98 ? ? ? ? ? ? 221 LYS C CD 1 +ATOM 5683 C CE . LYS C 1 222 ? 37.462 2.251 186.718 1.00 43.13 ? ? ? ? ? ? 221 LYS C CE 1 +ATOM 5684 N NZ . LYS C 1 222 ? 38.887 2.188 187.202 1.00 42.03 ? ? ? ? ? ? 221 LYS C NZ 1 +ATOM 5685 N N . LYS C 1 223 ? 30.697 3.231 189.466 1.00 26.73 ? ? ? ? ? ? 222 LYS C N 1 +ATOM 5686 C CA . LYS C 1 223 ? 29.560 2.885 190.339 1.00 26.78 ? ? ? ? ? ? 222 LYS C CA 1 +ATOM 5687 C C . LYS C 1 223 ? 28.265 2.554 189.586 1.00 25.42 ? ? ? ? ? ? 222 LYS C C 1 +ATOM 5688 O O . LYS C 1 223 ? 27.218 2.360 190.206 1.00 24.83 ? ? ? ? ? ? 222 LYS C O 1 +ATOM 5689 C CB . LYS C 1 223 ? 29.293 3.997 191.334 1.00 28.53 ? ? ? ? ? ? 222 LYS C CB 1 +ATOM 5690 C CG . LYS C 1 223 ? 30.484 4.291 192.201 1.00 31.67 ? ? ? ? ? ? 222 LYS C CG 1 +ATOM 5691 C CD . LYS C 1 223 ? 30.127 4.456 193.639 1.00 40.27 ? ? ? ? ? ? 222 LYS C CD 1 +ATOM 5692 C CE . LYS C 1 223 ? 31.332 4.168 194.510 1.00 48.00 ? ? ? ? ? ? 222 LYS C CE 1 +ATOM 5693 N NZ . LYS C 1 223 ? 30.933 3.484 195.768 1.00 50.01 ? ? ? ? ? ? 222 LYS C NZ 1 +ATOM 5694 N N . ALA C 1 224 ? 28.361 2.461 188.259 1.00 24.60 ? ? ? ? ? ? 223 ALA C N 1 +ATOM 5695 C CA . ALA C 1 224 ? 27.241 2.100 187.397 1.00 22.90 ? ? ? ? ? ? 223 ALA C CA 1 +ATOM 5696 C C . ALA C 1 224 ? 26.695 0.706 187.701 1.00 22.92 ? ? ? ? ? ? 223 ALA C C 1 +ATOM 5697 O O . ALA C 1 224 ? 27.461 -0.211 188.000 1.00 22.29 ? ? ? ? ? ? 223 ALA C O 1 +ATOM 5698 C CB . ALA C 1 224 ? 27.685 2.215 185.894 1.00 20.69 ? ? ? ? ? ? 223 ALA C CB 1 +ATOM 5699 N N . THR C 1 225 ? 25.363 0.575 187.645 1.00 22.24 ? ? ? ? ? ? 224 THR C N 1 +ATOM 5700 C CA . THR C 1 225 ? 24.659 -0.686 187.785 1.00 22.21 ? ? ? ? ? ? 224 THR C CA 1 +ATOM 5701 C C . THR C 1 225 ? 23.400 -0.717 186.894 1.00 22.31 ? ? ? ? ? ? 224 THR C C 1 +ATOM 5702 O O . THR C 1 225 ? 22.781 0.322 186.606 1.00 22.17 ? ? ? ? ? ? 224 THR C O 1 +ATOM 5703 C CB . THR C 1 225 ? 24.163 -0.946 189.247 1.00 23.26 ? ? ? ? ? ? 224 THR C CB 1 +ATOM 5704 O OG1 . THR C 1 225 ? 23.085 -0.049 189.555 1.00 24.44 ? ? ? ? ? ? 224 THR C OG1 1 +ATOM 5705 C CG2 . THR C 1 225 ? 25.236 -0.754 190.217 1.00 18.17 ? ? ? ? ? ? 224 THR C CG2 1 +ATOM 5706 N N . ALA C 1 226 ? 23.025 -1.916 186.466 1.00 21.72 ? ? ? ? ? ? 225 ALA C N 1 +ATOM 5707 C CA . ALA C 1 226 ? 21.781 -2.114 185.750 1.00 21.71 ? ? ? ? ? ? 225 ALA C CA 1 +ATOM 5708 C C . ALA C 1 226 ? 20.547 -1.574 186.500 1.00 24.20 ? ? ? ? ? ? 225 ALA C C 1 +ATOM 5709 O O . ALA C 1 226 ? 19.654 -1.016 185.866 1.00 24.22 ? ? ? ? ? ? 225 ALA C O 1 +ATOM 5710 C CB . ALA C 1 226 ? 21.610 -3.611 185.393 1.00 20.33 ? ? ? ? ? ? 225 ALA C CB 1 +ATOM 5711 N N . GLU C 1 227 ? 20.505 -1.725 187.834 1.00 26.16 ? ? ? ? ? ? 226 GLU C N 1 +ATOM 5712 C CA . GLU C 1 227 ? 19.368 -1.280 188.651 1.00 29.01 ? ? ? ? ? ? 226 GLU C CA 1 +ATOM 5713 C C . GLU C 1 227 ? 19.229 0.223 188.669 1.00 24.15 ? ? ? ? ? ? 226 GLU C C 1 +ATOM 5714 O O . GLU C 1 227 ? 18.135 0.773 188.631 1.00 23.14 ? ? ? ? ? ? 226 GLU C O 1 +ATOM 5715 C CB . GLU C 1 227 ? 19.522 -1.738 190.110 1.00 31.84 ? ? ? ? ? ? 226 GLU C CB 1 +ATOM 5716 C CG . GLU C 1 227 ? 18.894 -3.076 190.458 1.00 41.54 ? ? ? ? ? ? 226 GLU C CG 1 +ATOM 5717 C CD . GLU C 1 227 ? 18.877 -3.355 192.001 1.00 44.14 ? ? ? ? ? ? 226 GLU C CD 1 +ATOM 5718 O OE1 . GLU C 1 227 ? 18.597 -2.411 192.790 1.00 56.24 ? ? ? ? ? ? 226 GLU C OE1 1 +ATOM 5719 O OE2 . GLU C 1 227 ? 19.135 -4.526 192.406 1.00 62.61 ? ? ? ? ? ? 226 GLU C OE2 1 +ATOM 5720 N N . LYS C 1 228 ? 20.364 0.896 188.763 1.00 23.58 ? ? ? ? ? ? 227 LYS C N 1 +ATOM 5721 C CA . LYS C 1 228 ? 20.386 2.354 188.644 1.00 24.06 ? ? ? ? ? ? 227 LYS C CA 1 +ATOM 5722 C C . LYS C 1 228 ? 19.878 2.826 187.260 1.00 23.52 ? ? ? ? ? ? 227 LYS C C 1 +ATOM 5723 O O . LYS C 1 228 ? 19.207 3.849 187.154 1.00 23.85 ? ? ? ? ? ? 227 LYS C O 1 +ATOM 5724 C CB . LYS C 1 228 ? 21.801 2.862 188.869 1.00 23.47 ? ? ? ? ? ? 227 LYS C CB 1 +ATOM 5725 C CG . LYS C 1 228 ? 22.262 2.867 190.296 1.00 24.68 ? ? ? ? ? ? 227 LYS C CG 1 +ATOM 5726 C CD . LYS C 1 228 ? 23.661 3.517 190.348 1.00 26.32 ? ? ? ? ? ? 227 LYS C CD 1 +ATOM 5727 C CE . LYS C 1 228 ? 24.314 3.412 191.687 1.00 26.72 ? ? ? ? ? ? 227 LYS C CE 1 +ATOM 5728 N NZ . LYS C 1 228 ? 25.532 4.256 191.762 1.00 28.32 ? ? ? ? ? ? 227 LYS C NZ 1 +ATOM 5729 N N . GLY C 1 229 ? 20.230 2.086 186.214 1.00 23.26 ? ? ? ? ? ? 228 GLY C N 1 +ATOM 5730 C CA . GLY C 1 229 ? 19.807 2.414 184.860 1.00 23.00 ? ? ? ? ? ? 228 GLY C CA 1 +ATOM 5731 C C . GLY C 1 229 ? 18.318 2.188 184.700 1.00 23.44 ? ? ? ? ? ? 228 GLY C C 1 +ATOM 5732 O O . GLY C 1 229 ? 17.607 3.030 184.155 1.00 23.02 ? ? ? ? ? ? 228 GLY C O 1 +ATOM 5733 N N . GLU C 1 230 ? 17.854 1.058 185.206 1.00 24.60 ? ? ? ? ? ? 229 GLU C N 1 +ATOM 5734 C CA . GLU C 1 230 ? 16.426 0.741 185.217 1.00 26.34 ? ? ? ? ? ? 229 GLU C CA 1 +ATOM 5735 C C . GLU C 1 230 ? 15.620 1.818 185.919 1.00 25.29 ? ? ? ? ? ? 229 GLU C C 1 +ATOM 5736 O O . GLU C 1 230 ? 14.643 2.280 185.408 1.00 24.72 ? ? ? ? ? ? 229 GLU C O 1 +ATOM 5737 C CB . GLU C 1 230 ? 16.188 -0.588 185.901 1.00 25.75 ? ? ? ? ? ? 229 GLU C CB 1 +ATOM 5738 C CG . GLU C 1 230 ? 14.747 -1.047 185.835 1.00 30.62 ? ? ? ? ? ? 229 GLU C CG 1 +ATOM 5739 C CD . GLU C 1 230 ? 14.573 -2.456 186.388 1.00 37.73 ? ? ? ? ? ? 229 GLU C CD 1 +ATOM 5740 O OE1 . GLU C 1 230 ? 15.310 -2.836 187.331 1.00 45.32 ? ? ? ? ? ? 229 GLU C OE1 1 +ATOM 5741 O OE2 . GLU C 1 230 ? 13.695 -3.180 185.878 1.00 49.36 ? ? ? ? ? ? 229 GLU C OE2 1 +ATOM 5742 N N . ARG C 1 231 ? 16.063 2.199 187.106 1.00 24.97 ? ? ? ? ? ? 230 ARG C N 1 +ATOM 5743 C CA . ARG C 1 231 ? 15.425 3.229 187.916 1.00 25.62 ? ? ? ? ? ? 230 ARG C CA 1 +ATOM 5744 C C . ARG C 1 231 ? 15.297 4.585 187.181 1.00 24.81 ? ? ? ? ? ? 230 ARG C C 1 +ATOM 5745 O O . ARG C 1 231 ? 14.260 5.258 187.239 1.00 25.30 ? ? ? ? ? ? 230 ARG C O 1 +ATOM 5746 C CB . ARG C 1 231 ? 16.248 3.390 189.243 1.00 24.26 ? ? ? ? ? ? 230 ARG C CB 1 +ATOM 5747 C CG . ARG C 1 231 ? 15.713 4.426 190.202 1.00 32.00 ? ? ? ? ? ? 230 ARG C CG 1 +ATOM 5748 C CD . ARG C 1 231 ? 16.402 4.420 191.590 1.00 30.26 ? ? ? ? ? ? 230 ARG C CD 1 +ATOM 5749 N NE . ARG C 1 231 ? 17.678 5.129 191.549 1.00 34.99 ? ? ? ? ? ? 230 ARG C NE 1 +ATOM 5750 C CZ . ARG C 1 231 ? 18.371 5.502 192.621 1.00 37.90 ? ? ? ? ? ? 230 ARG C CZ 1 +ATOM 5751 N NH1 . ARG C 1 231 ? 17.922 5.262 193.852 1.00 31.96 ? ? ? ? ? ? 230 ARG C NH1 1 +ATOM 5752 N NH2 . ARG C 1 231 ? 19.525 6.127 192.457 1.00 36.72 ? ? ? ? ? ? 230 ARG C NH2 1 +ATOM 5753 N N . TYR C 1 232 ? 16.375 4.985 186.521 1.00 23.06 ? ? ? ? ? ? 231 TYR C N 1 +ATOM 5754 C CA . TYR C 1 232 ? 16.428 6.251 185.800 1.00 22.79 ? ? ? ? ? ? 231 TYR C CA 1 +ATOM 5755 C C . TYR C 1 232 ? 15.570 6.254 184.544 1.00 21.80 ? ? ? ? ? ? 231 TYR C C 1 +ATOM 5756 O O . TYR C 1 232 ? 14.907 7.245 184.266 1.00 24.42 ? ? ? ? ? ? 231 TYR C O 1 +ATOM 5757 C CB . TYR C 1 232 ? 17.887 6.578 185.465 1.00 22.91 ? ? ? ? ? ? 231 TYR C CB 1 +ATOM 5758 C CG . TYR C 1 232 ? 18.152 7.888 184.763 1.00 24.53 ? ? ? ? ? ? 231 TYR C CG 1 +ATOM 5759 C CD1 . TYR C 1 232 ? 17.580 9.075 185.198 1.00 20.87 ? ? ? ? ? ? 231 TYR C CD1 1 +ATOM 5760 C CD2 . TYR C 1 232 ? 19.026 7.946 183.698 1.00 21.02 ? ? ? ? ? ? 231 TYR C CD2 1 +ATOM 5761 C CE1 . TYR C 1 232 ? 17.858 10.287 184.575 1.00 19.90 ? ? ? ? ? ? 231 TYR C CE1 1 +ATOM 5762 C CE2 . TYR C 1 232 ? 19.301 9.162 183.050 1.00 21.27 ? ? ? ? ? ? 231 TYR C CE2 1 +ATOM 5763 C CZ . TYR C 1 232 ? 18.717 10.320 183.497 1.00 21.93 ? ? ? ? ? ? 231 TYR C CZ 1 +ATOM 5764 O OH . TYR C 1 232 ? 18.992 11.503 182.845 1.00 22.75 ? ? ? ? ? ? 231 TYR C OH 1 +ATOM 5765 N N . VAL C 1 233 ? 15.568 5.169 183.776 1.00 22.37 ? ? ? ? ? ? 232 VAL C N 1 +ATOM 5766 C CA . VAL C 1 233 ? 14.785 5.176 182.522 1.00 22.20 ? ? ? ? ? ? 232 VAL C CA 1 +ATOM 5767 C C . VAL C 1 233 ? 13.276 5.114 182.766 1.00 23.14 ? ? ? ? ? ? 232 VAL C C 1 +ATOM 5768 O O . VAL C 1 233 ? 12.519 5.622 181.953 1.00 23.27 ? ? ? ? ? ? 232 VAL C O 1 +ATOM 5769 C CB . VAL C 1 233 ? 15.210 4.114 181.473 1.00 23.60 ? ? ? ? ? ? 232 VAL C CB 1 +ATOM 5770 C CG1 . VAL C 1 233 ? 16.697 4.190 181.201 1.00 21.73 ? ? ? ? ? ? 232 VAL C CG1 1 +ATOM 5771 C CG2 . VAL C 1 233 ? 14.832 2.743 181.894 1.00 23.15 ? ? ? ? ? ? 232 VAL C CG2 1 +ATOM 5772 N N . LYS C 1 234 ? 12.835 4.513 183.870 1.00 23.22 ? ? ? ? ? ? 233 LYS C N 1 +ATOM 5773 C CA . LYS C 1 234 ? 11.393 4.412 184.145 1.00 25.14 ? ? ? ? ? ? 233 LYS C CA 1 +ATOM 5774 C C . LYS C 1 234 ? 10.648 5.745 184.000 1.00 22.50 ? ? ? ? ? ? 233 LYS C C 1 +ATOM 5775 O O . LYS C 1 234 ? 9.729 5.815 183.201 1.00 23.45 ? ? ? ? ? ? 233 LYS C O 1 +ATOM 5776 C CB . LYS C 1 234 ? 11.117 3.759 185.498 1.00 26.81 ? ? ? ? ? ? 233 LYS C CB 1 +ATOM 5777 C CG . LYS C 1 234 ? 9.638 3.570 185.838 1.00 30.50 ? ? ? ? ? ? 233 LYS C CG 1 +ATOM 5778 C CD . LYS C 1 234 ? 9.517 2.562 187.009 1.00 29.32 ? ? ? ? ? ? 233 LYS C CD 1 +ATOM 5779 C CE . LYS C 1 234 ? 8.098 2.498 187.546 1.00 34.73 ? ? ? ? ? ? 233 LYS C CE 1 +ATOM 5780 N NZ . LYS C 1 234 ? 7.108 2.065 186.550 1.00 26.42 ? ? ? ? ? ? 233 LYS C NZ 1 +ATOM 5781 N N . PRO C 1 235 ? 11.058 6.808 184.737 1.00 21.76 ? ? ? ? ? ? 234 PRO C N 1 +ATOM 5782 C CA . PRO C 1 235 ? 10.378 8.081 184.581 1.00 21.86 ? ? ? ? ? ? 234 PRO C CA 1 +ATOM 5783 C C . PRO C 1 235 ? 10.607 8.797 183.239 1.00 20.82 ? ? ? ? ? ? 234 PRO C C 1 +ATOM 5784 O O . PRO C 1 235 ? 9.804 9.638 182.863 1.00 20.41 ? ? ? ? ? ? 234 PRO C O 1 +ATOM 5785 C CB . PRO C 1 235 ? 10.913 8.916 185.770 1.00 21.20 ? ? ? ? ? ? 234 PRO C CB 1 +ATOM 5786 C CG . PRO C 1 235 ? 12.296 8.336 186.033 1.00 18.81 ? ? ? ? ? ? 234 PRO C CG 1 +ATOM 5787 C CD . PRO C 1 235 ? 12.116 6.882 185.771 1.00 22.90 ? ? ? ? ? ? 234 PRO C CD 1 +ATOM 5788 N N . ILE C 1 236 ? 11.723 8.512 182.559 1.00 21.85 ? ? ? ? ? ? 235 ILE C N 1 +ATOM 5789 C CA . ILE C 1 236 ? 11.997 9.052 181.214 1.00 20.21 ? ? ? ? ? ? 235 ILE C CA 1 +ATOM 5790 C C . ILE C 1 236 ? 11.020 8.416 180.236 1.00 20.55 ? ? ? ? ? ? 235 ILE C C 1 +ATOM 5791 O O . ILE C 1 236 ? 10.365 9.105 179.454 1.00 21.91 ? ? ? ? ? ? 235 ILE C O 1 +ATOM 5792 C CB . ILE C 1 236 ? 13.444 8.772 180.783 1.00 21.92 ? ? ? ? ? ? 235 ILE C CB 1 +ATOM 5793 C CG1 . ILE C 1 236 ? 14.418 9.613 181.607 1.00 17.03 ? ? ? ? ? ? 235 ILE C CG1 1 +ATOM 5794 C CG2 . ILE C 1 236 ? 13.643 9.039 179.281 1.00 19.20 ? ? ? ? ? ? 235 ILE C CG2 1 +ATOM 5795 C CD1 . ILE C 1 236 ? 15.823 9.203 181.429 1.00 17.26 ? ? ? ? ? ? 235 ILE C CD1 1 +ATOM 5796 N N . VAL C 1 237 ? 10.892 7.095 180.318 1.00 20.34 ? ? ? ? ? ? 236 VAL C N 1 +ATOM 5797 C CA . VAL C 1 237 ? 9.949 6.348 179.461 1.00 20.31 ? ? ? ? ? ? 236 VAL C CA 1 +ATOM 5798 C C . VAL C 1 237 ? 8.493 6.828 179.659 1.00 21.53 ? ? ? ? ? ? 236 VAL C C 1 +ATOM 5799 O O . VAL C 1 237 ? 7.764 6.991 178.682 1.00 21.72 ? ? ? ? ? ? 236 VAL C O 1 +ATOM 5800 C CB . VAL C 1 237 ? 10.110 4.816 179.653 1.00 18.88 ? ? ? ? ? ? 236 VAL C CB 1 +ATOM 5801 C CG1 . VAL C 1 237 ? 8.932 4.069 179.097 1.00 15.81 ? ? ? ? ? ? 236 VAL C CG1 1 +ATOM 5802 C CG2 . VAL C 1 237 ? 11.496 4.337 179.044 1.00 18.55 ? ? ? ? ? ? 236 VAL C CG2 1 +ATOM 5803 N N . GLU C 1 238 ? 8.107 7.103 180.909 1.00 23.13 ? ? ? ? ? ? 237 GLU C N 1 +ATOM 5804 C CA . GLU C 1 238 ? 6.753 7.616 181.226 1.00 22.99 ? ? ? ? ? ? 237 GLU C CA 1 +ATOM 5805 C C . GLU C 1 238 ? 6.499 9.023 180.725 1.00 21.58 ? ? ? ? ? ? 237 GLU C C 1 +ATOM 5806 O O . GLU C 1 238 ? 5.407 9.335 180.227 1.00 21.92 ? ? ? ? ? ? 237 GLU C O 1 +ATOM 5807 C CB . GLU C 1 238 ? 6.495 7.573 182.740 1.00 25.35 ? ? ? ? ? ? 237 GLU C CB 1 +ATOM 5808 C CG . GLU C 1 238 ? 4.976 7.567 183.108 1.00 32.41 ? ? ? ? ? ? 237 GLU C CG 1 +ATOM 5809 C CD . GLU C 1 238 ? 4.325 8.944 182.974 1.00 34.83 ? ? ? ? ? ? 237 GLU C CD 1 +ATOM 5810 O OE1 . GLU C 1 238 ? 5.012 9.956 183.202 1.00 42.17 ? ? ? ? ? ? 237 GLU C OE1 1 +ATOM 5811 O OE2 . GLU C 1 238 ? 3.129 9.028 182.631 1.00 38.81 ? ? ? ? ? ? 237 GLU C OE2 1 +ATOM 5812 N N . LYS C 1 239 ? 7.465 9.911 180.896 1.00 21.93 ? ? ? ? ? ? 238 LYS C N 1 +ATOM 5813 C CA . LYS C 1 239 ? 7.302 11.294 180.409 1.00 23.34 ? ? ? ? ? ? 238 LYS C CA 1 +ATOM 5814 C C . LYS C 1 239 ? 7.192 11.347 178.884 1.00 22.05 ? ? ? ? ? ? 238 LYS C C 1 +ATOM 5815 O O . LYS C 1 239 ? 6.368 12.066 178.338 1.00 21.91 ? ? ? ? ? ? 238 LYS C O 1 +ATOM 5816 C CB . LYS C 1 239 ? 8.455 12.194 180.854 1.00 22.95 ? ? ? ? ? ? 238 LYS C CB 1 +ATOM 5817 C CG . LYS C 1 239 ? 8.308 12.818 182.218 1.00 28.88 ? ? ? ? ? ? 238 LYS C CG 1 +ATOM 5818 C CD . LYS C 1 239 ? 9.464 13.760 182.470 1.00 35.09 ? ? ? ? ? ? 238 LYS C CD 1 +ATOM 5819 C CE . LYS C 1 239 ? 9.524 14.215 183.910 1.00 44.08 ? ? ? ? ? ? 238 LYS C CE 1 +ATOM 5820 N NZ . LYS C 1 239 ? 8.185 14.619 184.391 1.00 47.86 ? ? ? ? ? ? 238 LYS C NZ 1 +ATOM 5821 N N . LEU C 1 240 ? 8.068 10.606 178.215 1.00 22.18 ? ? ? ? ? ? 239 LEU C N 1 +ATOM 5822 C CA . LEU C 1 240 ? 8.044 10.523 176.744 1.00 21.34 ? ? ? ? ? ? 239 LEU C CA 1 +ATOM 5823 C C . LEU C 1 240 ? 6.764 9.924 176.221 1.00 20.71 ? ? ? ? ? ? 239 LEU C C 1 +ATOM 5824 O O . LEU C 1 240 ? 6.219 10.457 175.285 1.00 20.57 ? ? ? ? ? ? 239 LEU C O 1 +ATOM 5825 C CB . LEU C 1 240 ? 9.222 9.726 176.223 1.00 20.13 ? ? ? ? ? ? 239 LEU C CB 1 +ATOM 5826 C CG . LEU C 1 240 ? 10.544 10.476 176.289 1.00 19.33 ? ? ? ? ? ? 239 LEU C CG 1 +ATOM 5827 C CD1 . LEU C 1 240 ? 11.651 9.506 175.945 1.00 19.52 ? ? ? ? ? ? 239 LEU C CD1 1 +ATOM 5828 C CD2 . LEU C 1 240 ? 10.525 11.661 175.361 1.00 16.38 ? ? ? ? ? ? 239 LEU C CD2 1 +ATOM 5829 N N . ALA C 1 241 ? 6.279 8.831 176.831 1.00 21.23 ? ? ? ? ? ? 240 ALA C N 1 +ATOM 5830 C CA . ALA C 1 241 ? 4.966 8.253 176.482 1.00 20.57 ? ? ? ? ? ? 240 ALA C CA 1 +ATOM 5831 C C . ALA C 1 241 ? 3.869 9.283 176.594 1.00 20.43 ? ? ? ? ? ? 240 ALA C C 1 +ATOM 5832 O O . ALA C 1 241 ? 3.031 9.396 175.714 1.00 22.54 ? ? ? ? ? ? 240 ALA C O 1 +ATOM 5833 C CB . ALA C 1 241 ? 4.635 7.055 177.371 1.00 20.56 ? ? ? ? ? ? 240 ALA C CB 1 +ATOM 5834 N N . GLY C 1 242 ? 3.870 10.031 177.688 1.00 20.78 ? ? ? ? ? ? 241 GLY C N 1 +ATOM 5835 C CA . GLY C 1 242 ? 2.933 11.112 177.858 1.00 21.28 ? ? ? ? ? ? 241 GLY C CA 1 +ATOM 5836 C C . GLY C 1 242 ? 3.016 12.206 176.804 1.00 21.80 ? ? ? ? ? ? 241 GLY C C 1 +ATOM 5837 O O . GLY C 1 242 ? 1.978 12.698 176.383 1.00 22.04 ? ? ? ? ? ? 241 GLY C O 1 +ATOM 5838 N N . LEU C 1 243 ? 4.226 12.585 176.392 1.00 20.71 ? ? ? ? ? ? 242 LEU C N 1 +ATOM 5839 C CA . LEU C 1 243 ? 4.417 13.539 175.284 1.00 21.00 ? ? ? ? ? ? 242 LEU C CA 1 +ATOM 5840 C C . LEU C 1 243 ? 3.875 12.968 173.956 1.00 21.83 ? ? ? ? ? ? 242 LEU C C 1 +ATOM 5841 O O . LEU C 1 243 ? 3.207 13.685 173.212 1.00 21.12 ? ? ? ? ? ? 242 LEU C O 1 +ATOM 5842 C CB . LEU C 1 243 ? 5.895 13.960 175.136 1.00 19.35 ? ? ? ? ? ? 242 LEU C CB 1 +ATOM 5843 C CG . LEU C 1 243 ? 6.342 14.697 173.860 1.00 21.88 ? ? ? ? ? ? 242 LEU C CG 1 +ATOM 5844 C CD1 . LEU C 1 243 ? 5.701 16.071 173.811 1.00 20.68 ? ? ? ? ? ? 242 LEU C CD1 1 +ATOM 5845 C CD2 . LEU C 1 243 ? 7.881 14.773 173.731 1.00 17.61 ? ? ? ? ? ? 242 LEU C CD2 1 +ATOM 5846 N N . PHE C 1 244 ? 4.144 11.688 173.665 1.00 22.51 ? ? ? ? ? ? 243 PHE C N 1 +ATOM 5847 C CA . PHE C 1 244 ? 3.618 11.080 172.437 1.00 23.01 ? ? ? ? ? ? 243 PHE C CA 1 +ATOM 5848 C C . PHE C 1 244 ? 2.082 11.143 172.409 1.00 23.87 ? ? ? ? ? ? 243 PHE C C 1 +ATOM 5849 O O . PHE C 1 244 ? 1.496 11.415 171.366 1.00 24.75 ? ? ? ? ? ? 243 PHE C O 1 +ATOM 5850 C CB . PHE C 1 244 ? 3.997 9.600 172.304 1.00 23.09 ? ? ? ? ? ? 243 PHE C CB 1 +ATOM 5851 C CG . PHE C 1 244 ? 5.473 9.301 172.283 1.00 23.24 ? ? ? ? ? ? 243 PHE C CG 1 +ATOM 5852 C CD1 . PHE C 1 244 ? 6.433 10.298 172.156 1.00 25.76 ? ? ? ? ? ? 243 PHE C CD1 1 +ATOM 5853 C CD2 . PHE C 1 244 ? 5.890 7.978 172.355 1.00 23.65 ? ? ? ? ? ? 243 PHE C CD2 1 +ATOM 5854 C CE1 . PHE C 1 244 ? 7.784 9.971 172.150 1.00 25.48 ? ? ? ? ? ? 243 PHE C CE1 1 +ATOM 5855 C CE2 . PHE C 1 244 ? 7.246 7.647 172.333 1.00 22.15 ? ? ? ? ? ? 243 PHE C CE2 1 +ATOM 5856 C CZ . PHE C 1 244 ? 8.183 8.639 172.233 1.00 24.31 ? ? ? ? ? ? 243 PHE C CZ 1 +ATOM 5857 N N . GLU C 1 245 ? 1.444 10.831 173.539 1.00 23.61 ? ? ? ? ? ? 244 GLU C N 1 +ATOM 5858 C CA . GLU C 1 245 ? -0.025 10.837 173.657 1.00 24.40 ? ? ? ? ? ? 244 GLU C CA 1 +ATOM 5859 C C . GLU C 1 245 ? -0.590 12.238 173.460 1.00 24.09 ? ? ? ? ? ? 244 GLU C C 1 +ATOM 5860 O O . GLU C 1 245 ? -1.572 12.415 172.763 1.00 25.57 ? ? ? ? ? ? 244 GLU C O 1 +ATOM 5861 C CB . GLU C 1 245 ? -0.494 10.307 175.030 1.00 22.50 ? ? ? ? ? ? 244 GLU C CB 1 +ATOM 5862 C CG . GLU C 1 245 ? -0.202 8.852 175.269 1.00 25.50 ? ? ? ? ? ? 244 GLU C CG 1 +ATOM 5863 C CD . GLU C 1 245 ? -0.161 8.467 176.736 1.00 27.72 ? ? ? ? ? ? 244 GLU C CD 1 +ATOM 5864 O OE1 . GLU C 1 245 ? -0.100 9.348 177.620 1.00 32.94 ? ? ? ? ? ? 244 GLU C OE1 1 +ATOM 5865 O OE2 . GLU C 1 245 ? -0.191 7.258 177.012 1.00 31.61 ? ? ? ? ? ? 244 GLU C OE2 1 +ATOM 5866 N N . GLU C 1 246 ? 0.030 13.228 174.069 1.00 24.63 ? ? ? ? ? ? 245 GLU C N 1 +ATOM 5867 C CA . GLU C 1 246 ? -0.399 14.618 173.893 1.00 25.28 ? ? ? ? ? ? 245 GLU C CA 1 +ATOM 5868 C C . GLU C 1 246 ? -0.166 15.117 172.486 1.00 26.03 ? ? ? ? ? ? 245 GLU C C 1 +ATOM 5869 O O . GLU C 1 246 ? -0.986 15.853 171.976 1.00 26.95 ? ? ? ? ? ? 245 GLU C O 1 +ATOM 5870 C CB . GLU C 1 246 ? 0.317 15.527 174.883 1.00 22.98 ? ? ? ? ? ? 245 GLU C CB 1 +ATOM 5871 C CG . GLU C 1 246 ? -0.054 15.244 176.303 1.00 25.18 ? ? ? ? ? ? 245 GLU C CG 1 +ATOM 5872 C CD . GLU C 1 246 ? 0.906 15.814 177.302 1.00 30.05 ? ? ? ? ? ? 245 GLU C CD 1 +ATOM 5873 O OE1 . GLU C 1 246 ? 1.939 16.423 176.910 1.00 29.12 ? ? ? ? ? ? 245 GLU C OE1 1 +ATOM 5874 O OE2 . GLU C 1 246 ? 0.626 15.630 178.495 1.00 32.97 ? ? ? ? ? ? 245 GLU C OE2 1 +ATOM 5875 N N . MSE C 1 247 ? 0.975 14.760 171.883 1.00 26.16 ? ? ? ? ? ? 246 MSE C N 1 +ATOM 5876 C CA . MSE C 1 247 ? 1.249 15.112 170.478 1.00 26.45 ? ? ? ? ? ? 246 MSE C CA 1 +ATOM 5877 C C . MSE C 1 247 ? 0.194 14.554 169.527 1.00 28.37 ? ? ? ? ? ? 246 MSE C C 1 +ATOM 5878 O O . MSE C 1 247 ? -0.252 15.252 168.592 1.00 28.93 ? ? ? ? ? ? 246 MSE C O 1 +ATOM 5879 C CB . MSE C 1 247 ? 2.630 14.631 170.041 1.00 25.70 ? ? ? ? ? ? 246 MSE C CB 1 +ATOM 5880 C CG . MSE C 1 247 ? 3.721 15.502 170.519 1.00 26.81 ? ? ? ? ? ? 246 MSE C CG 1 +ATOM 5881 SE SE . MSE C 1 247 ? 5.515 14.918 169.973 0.75 28.15 ? ? ? ? ? ? 246 MSE C SE 1 +ATOM 5882 C CE . MSE C 1 247 ? 5.362 15.671 168.063 1.00 22.06 ? ? ? ? ? ? 246 MSE C CE 1 +ATOM 5883 N N . ALA C 1 248 ? -0.206 13.309 169.790 1.00 29.85 ? ? ? ? ? ? 247 ALA C N 1 +ATOM 5884 C CA . ALA C 1 248 ? -1.223 12.614 169.002 1.00 30.72 ? ? ? ? ? ? 247 ALA C CA 1 +ATOM 5885 C C . ALA C 1 248 ? -2.621 13.202 169.187 1.00 30.77 ? ? ? ? ? ? 247 ALA C C 1 +ATOM 5886 O O . ALA C 1 248 ? -3.422 13.164 168.270 1.00 31.62 ? ? ? ? ? ? 247 ALA C O 1 +ATOM 5887 C CB . ALA C 1 248 ? -1.251 11.119 169.352 1.00 27.86 ? ? ? ? ? ? 247 ALA C CB 1 +ATOM 5888 N N . GLN C 1 249 ? -2.904 13.731 170.363 1.00 30.35 ? ? ? ? ? ? 248 GLN C N 1 +ATOM 5889 C CA . GLN C 1 249 ? -4.264 14.084 170.726 1.00 33.44 ? ? ? ? ? ? 248 GLN C CA 1 +ATOM 5890 C C . GLN C 1 249 ? -4.567 15.565 170.675 1.00 33.58 ? ? ? ? ? ? 248 GLN C C 1 +ATOM 5891 O O . GLN C 1 249 ? -5.728 15.941 170.782 1.00 34.66 ? ? ? ? ? ? 248 GLN C O 1 +ATOM 5892 C CB . GLN C 1 249 ? -4.567 13.538 172.128 1.00 34.43 ? ? ? ? ? ? 248 GLN C CB 1 +ATOM 5893 C CG . GLN C 1 249 ? -4.659 12.010 172.133 1.00 36.52 ? ? ? ? ? ? 248 GLN C CG 1 +ATOM 5894 C CD . GLN C 1 249 ? -4.556 11.398 173.514 1.00 37.58 ? ? ? ? ? ? 248 GLN C CD 1 +ATOM 5895 O OE1 . GLN C 1 249 ? -4.174 12.064 174.479 1.00 45.55 ? ? ? ? ? ? 248 GLN C OE1 1 +ATOM 5896 N NE2 . GLN C 1 249 ? -4.869 10.106 173.609 1.00 40.45 ? ? ? ? ? ? 248 GLN C NE2 1 +ATOM 5897 N N . HIS C 1 250 ? -3.544 16.404 170.528 1.00 33.11 ? ? ? ? ? ? 249 HIS C N 1 +ATOM 5898 C CA . HIS C 1 250 ? -3.723 17.853 170.511 1.00 32.92 ? ? ? ? ? ? 249 HIS C CA 1 +ATOM 5899 C C . HIS C 1 250 ? -3.009 18.514 169.365 1.00 32.38 ? ? ? ? ? ? 249 HIS C C 1 +ATOM 5900 O O . HIS C 1 250 ? -1.925 18.096 168.964 1.00 33.15 ? ? ? ? ? ? 249 HIS C O 1 +ATOM 5901 C CB . HIS C 1 250 ? -3.212 18.469 171.819 1.00 33.94 ? ? ? ? ? ? 249 HIS C CB 1 +ATOM 5902 C CG . HIS C 1 250 ? -4.024 18.083 173.015 1.00 36.41 ? ? ? ? ? ? 249 HIS C CG 1 +ATOM 5903 N ND1 . HIS C 1 250 ? -5.241 18.664 173.302 1.00 39.51 ? ? ? ? ? ? 249 HIS C ND1 1 +ATOM 5904 C CD2 . HIS C 1 250 ? -3.813 17.147 173.971 1.00 35.88 ? ? ? ? ? ? 249 HIS C CD2 1 +ATOM 5905 C CE1 . HIS C 1 250 ? -5.741 18.107 174.393 1.00 42.78 ? ? ? ? ? ? 249 HIS C CE1 1 +ATOM 5906 N NE2 . HIS C 1 250 ? -4.891 17.186 174.818 1.00 40.67 ? ? ? ? ? ? 249 HIS C NE2 1 +ATOM 5907 N N . ASP C 1 251 ? -3.602 19.586 168.859 1.00 32.05 ? ? ? ? ? ? 250 ASP C N 1 +ATOM 5908 C CA . ASP C 1 251 ? -2.872 20.514 168.020 1.00 31.32 ? ? ? ? ? ? 250 ASP C CA 1 +ATOM 5909 C C . ASP C 1 251 ? -1.839 21.246 168.888 1.00 28.30 ? ? ? ? ? ? 250 ASP C C 1 +ATOM 5910 O O . ASP C 1 251 ? -1.921 21.214 170.117 1.00 27.58 ? ? ? ? ? ? 250 ASP C O 1 +ATOM 5911 C CB . ASP C 1 251 ? -3.836 21.489 167.329 1.00 32.68 ? ? ? ? ? ? 250 ASP C CB 1 +ATOM 5912 C CG . ASP C 1 251 ? -4.748 20.795 166.315 1.00 38.24 ? ? ? ? ? ? 250 ASP C CG 1 +ATOM 5913 O OD1 . ASP C 1 251 ? -4.400 19.707 165.784 1.00 42.17 ? ? ? ? ? ? 250 ASP C OD1 1 +ATOM 5914 O OD2 . ASP C 1 251 ? -5.832 21.342 166.047 1.00 49.31 ? ? ? ? ? ? 250 ASP C OD2 1 +ATOM 5915 N N . LEU C 1 252 ? -0.847 21.869 168.250 1.00 26.46 ? ? ? ? ? ? 251 LEU C N 1 +ATOM 5916 C CA . LEU C 1 252 ? 0.197 22.561 168.989 1.00 25.99 ? ? ? ? ? ? 251 LEU C CA 1 +ATOM 5917 C C . LEU C 1 252 ? -0.392 23.684 169.843 1.00 25.69 ? ? ? ? ? ? 251 LEU C C 1 +ATOM 5918 O O . LEU C 1 252 ? -0.030 23.855 170.993 1.00 24.47 ? ? ? ? ? ? 251 LEU C O 1 +ATOM 5919 C CB . LEU C 1 252 ? 1.241 23.116 168.044 1.00 25.02 ? ? ? ? ? ? 251 LEU C CB 1 +ATOM 5920 C CG . LEU C 1 252 ? 2.448 23.738 168.719 1.00 23.41 ? ? ? ? ? ? 251 LEU C CG 1 +ATOM 5921 C CD1 . LEU C 1 252 ? 3.140 22.735 169.732 1.00 19.12 ? ? ? ? ? ? 251 LEU C CD1 1 +ATOM 5922 C CD2 . LEU C 1 252 ? 3.381 24.234 167.612 1.00 23.24 ? ? ? ? ? ? 251 LEU C CD2 1 +ATOM 5923 N N . TYR C 1 253 ? -1.302 24.427 169.250 1.00 27.10 ? ? ? ? ? ? 252 TYR C N 1 +ATOM 5924 C CA . TYR C 1 253 ? -2.137 25.415 169.933 1.00 28.52 ? ? ? ? ? ? 252 TYR C CA 1 +ATOM 5925 C C . TYR C 1 253 ? -3.614 25.040 169.715 1.00 31.61 ? ? ? ? ? ? 252 TYR C C 1 +ATOM 5926 O O . TYR C 1 253 ? -3.978 24.488 168.677 1.00 31.20 ? ? ? ? ? ? 252 TYR C O 1 +ATOM 5927 C CB . TYR C 1 253 ? -1.857 26.805 169.375 1.00 27.88 ? ? ? ? ? ? 252 TYR C CB 1 +ATOM 5928 C CG . TYR C 1 253 ? -0.469 27.302 169.664 1.00 25.17 ? ? ? ? ? ? 252 TYR C CG 1 +ATOM 5929 C CD1 . TYR C 1 253 ? -0.190 27.999 170.851 1.00 23.91 ? ? ? ? ? ? 252 TYR C CD1 1 +ATOM 5930 C CD2 . TYR C 1 253 ? 0.572 27.088 168.764 1.00 24.31 ? ? ? ? ? ? 252 TYR C CD2 1 +ATOM 5931 C CE1 . TYR C 1 253 ? 1.087 28.469 171.133 1.00 25.35 ? ? ? ? ? ? 252 TYR C CE1 1 +ATOM 5932 C CE2 . TYR C 1 253 ? 1.871 27.573 169.037 1.00 19.96 ? ? ? ? ? ? 252 TYR C CE2 1 +ATOM 5933 C CZ . TYR C 1 253 ? 2.114 28.250 170.218 1.00 24.16 ? ? ? ? ? ? 252 TYR C CZ 1 +ATOM 5934 O OH . TYR C 1 253 ? 3.359 28.717 170.518 1.00 25.03 ? ? ? ? ? ? 252 TYR C OH 1 +ATOM 5935 N N . GLU C 1 254 ? -4.458 25.325 170.702 1.00 36.73 ? ? ? ? ? ? 253 GLU C N 1 +ATOM 5936 C CA . GLU C 1 254 ? -5.889 25.033 170.589 1.00 39.95 ? ? ? ? ? ? 253 GLU C CA 1 +ATOM 5937 C C . GLU C 1 254 ? -6.702 26.174 171.214 1.00 44.41 ? ? ? ? ? ? 253 GLU C C 1 +ATOM 5938 O O . GLU C 1 254 ? -6.121 27.138 171.732 1.00 46.14 ? ? ? ? ? ? 253 GLU C O 1 +ATOM 5939 C CB . GLU C 1 254 ? -6.225 23.683 171.243 1.00 40.18 ? ? ? ? ? ? 253 GLU C CB 1 +ATOM 5940 C CG . GLU C 1 254 ? -5.857 22.472 170.389 1.00 41.31 ? ? ? ? ? ? 253 GLU C CG 1 +ATOM 5941 C CD . GLU C 1 254 ? -6.165 21.120 171.053 1.00 40.65 ? ? ? ? ? ? 253 GLU C CD 1 +ATOM 5942 O OE1 . GLU C 1 254 ? -6.190 21.041 172.317 1.00 41.38 ? ? ? ? ? ? 253 GLU C OE1 1 +ATOM 5943 O OE2 . GLU C 1 254 ? -6.353 20.127 170.287 1.00 36.28 ? ? ? ? ? ? 253 GLU C OE2 1 +ATOM 5944 O OXT . GLU C 1 254 ? -7.942 26.167 171.199 1.00 45.04 ? ? ? ? ? ? 253 GLU C OXT 1 +ATOM 5945 N N . MSE D 1 2 ? 28.864 -12.458 168.116 1.00 39.29 ? ? ? ? ? ? 1 MSE D N 1 +ATOM 5946 C CA . MSE D 1 2 ? 29.254 -11.044 168.435 1.00 39.97 ? ? ? ? ? ? 1 MSE D CA 1 +ATOM 5947 C C . MSE D 1 2 ? 30.782 -10.872 168.379 1.00 37.55 ? ? ? ? ? ? 1 MSE D C 1 +ATOM 5948 O O . MSE D 1 2 ? 31.504 -11.483 169.175 1.00 37.77 ? ? ? ? ? ? 1 MSE D O 1 +ATOM 5949 C CB . MSE D 1 2 ? 28.755 -10.620 169.821 1.00 39.71 ? ? ? ? ? ? 1 MSE D CB 1 +ATOM 5950 C CG . MSE D 1 2 ? 29.380 -9.287 170.310 1.00 42.69 ? ? ? ? ? ? 1 MSE D CG 1 +ATOM 5951 SE SE . MSE D 1 2 ? 28.886 -8.606 172.124 0.75 46.10 ? ? ? ? ? ? 1 MSE D SE 1 +ATOM 5952 C CE . MSE D 1 2 ? 26.888 -8.767 171.790 1.00 42.27 ? ? ? ? ? ? 1 MSE D CE 1 +ATOM 5953 N N . ASN D 1 3 ? 31.265 -10.007 167.478 1.00 33.81 ? ? ? ? ? ? 2 ASN D N 1 +ATOM 5954 C CA . ASN D 1 3 ? 32.701 -9.857 167.228 1.00 30.99 ? ? ? ? ? ? 2 ASN D CA 1 +ATOM 5955 C C . ASN D 1 3 ? 33.151 -8.415 167.278 1.00 29.66 ? ? ? ? ? ? 2 ASN D C 1 +ATOM 5956 O O . ASN D 1 3 ? 33.130 -7.728 166.274 1.00 27.58 ? ? ? ? ? ? 2 ASN D O 1 +ATOM 5957 C CB . ASN D 1 3 ? 33.081 -10.439 165.875 1.00 29.74 ? ? ? ? ? ? 2 ASN D CB 1 +ATOM 5958 C CG . ASN D 1 3 ? 34.582 -10.588 165.718 1.00 29.50 ? ? ? ? ? ? 2 ASN D CG 1 +ATOM 5959 O OD1 . ASN D 1 3 ? 35.358 -9.824 166.293 1.00 31.86 ? ? ? ? ? ? 2 ASN D OD1 1 +ATOM 5960 N ND2 . ASN D 1 3 ? 34.998 -11.584 164.958 1.00 25.71 ? ? ? ? ? ? 2 ASN D ND2 1 +ATOM 5961 N N . LYS D 1 4 ? 33.608 -7.989 168.446 1.00 28.68 ? ? ? ? ? ? 3 LYS D N 1 +ATOM 5962 C CA . LYS D 1 4 ? 34.016 -6.613 168.660 1.00 30.01 ? ? ? ? ? ? 3 LYS D CA 1 +ATOM 5963 C C . LYS D 1 4 ? 35.255 -6.219 167.850 1.00 28.41 ? ? ? ? ? ? 3 LYS D C 1 +ATOM 5964 O O . LYS D 1 4 ? 35.505 -5.043 167.666 1.00 27.88 ? ? ? ? ? ? 3 LYS D O 1 +ATOM 5965 C CB . LYS D 1 4 ? 34.253 -6.347 170.156 1.00 30.09 ? ? ? ? ? ? 3 LYS D CB 1 +ATOM 5966 C CG . LYS D 1 4 ? 32.984 -6.385 170.992 1.00 32.12 ? ? ? ? ? ? 3 LYS D CG 1 +ATOM 5967 C CD . LYS D 1 4 ? 33.227 -5.819 172.383 1.00 31.79 ? ? ? ? ? ? 3 LYS D CD 1 +ATOM 5968 C CE . LYS D 1 4 ? 31.994 -5.931 173.287 1.00 36.72 ? ? ? ? ? ? 3 LYS D CE 1 +ATOM 5969 N NZ . LYS D 1 4 ? 32.188 -5.143 174.571 1.00 31.83 ? ? ? ? ? ? 3 LYS D NZ 1 +ATOM 5970 N N . GLU D 1 5 ? 36.004 -7.193 167.359 1.00 27.56 ? ? ? ? ? ? 4 GLU D N 1 +ATOM 5971 C CA . GLU D 1 5 ? 37.214 -6.919 166.610 1.00 27.58 ? ? ? ? ? ? 4 GLU D CA 1 +ATOM 5972 C C . GLU D 1 5 ? 36.950 -6.298 165.224 1.00 23.78 ? ? ? ? ? ? 4 GLU D C 1 +ATOM 5973 O O . GLU D 1 5 ? 37.704 -5.447 164.796 1.00 24.87 ? ? ? ? ? ? 4 GLU D O 1 +ATOM 5974 C CB . GLU D 1 5 ? 38.039 -8.205 166.464 1.00 27.43 ? ? ? ? ? ? 4 GLU D CB 1 +ATOM 5975 C CG . GLU D 1 5 ? 39.514 -7.942 166.166 1.00 32.57 ? ? ? ? ? ? 4 GLU D CG 1 +ATOM 5976 C CD . GLU D 1 5 ? 40.397 -9.203 166.186 1.00 33.56 ? ? ? ? ? ? 4 GLU D CD 1 +ATOM 5977 O OE1 . GLU D 1 5 ? 39.910 -10.291 166.601 1.00 40.89 ? ? ? ? ? ? 4 GLU D OE1 1 +ATOM 5978 O OE2 . GLU D 1 5 ? 41.582 -9.087 165.785 1.00 31.63 ? ? ? ? ? ? 4 GLU D OE2 1 +ATOM 5979 N N . VAL D 1 6 ? 35.892 -6.728 164.545 1.00 21.60 ? ? ? ? ? ? 5 VAL D N 1 +ATOM 5980 C CA . VAL D 1 6 ? 35.629 -6.384 163.154 1.00 20.78 ? ? ? ? ? ? 5 VAL D CA 1 +ATOM 5981 C C . VAL D 1 6 ? 34.212 -5.820 162.903 1.00 20.64 ? ? ? ? ? ? 5 VAL D C 1 +ATOM 5982 O O . VAL D 1 6 ? 33.898 -5.437 161.777 1.00 20.10 ? ? ? ? ? ? 5 VAL D O 1 +ATOM 5983 C CB . VAL D 1 6 ? 35.855 -7.632 162.171 1.00 22.30 ? ? ? ? ? ? 5 VAL D CB 1 +ATOM 5984 C CG1 . VAL D 1 6 ? 37.294 -8.188 162.211 1.00 18.43 ? ? ? ? ? ? 5 VAL D CG1 1 +ATOM 5985 C CG2 . VAL D 1 6 ? 34.854 -8.701 162.411 1.00 16.84 ? ? ? ? ? ? 5 VAL D CG2 1 +ATOM 5986 N N . ASP D 1 7 ? 33.364 -5.750 163.937 1.00 19.78 ? ? ? ? ? ? 6 ASP D N 1 +ATOM 5987 C CA . ASP D 1 7 ? 31.992 -5.241 163.766 1.00 19.56 ? ? ? ? ? ? 6 ASP D CA 1 +ATOM 5988 C C . ASP D 1 7 ? 31.750 -4.041 164.698 1.00 19.92 ? ? ? ? ? ? 6 ASP D C 1 +ATOM 5989 O O . ASP D 1 7 ? 31.510 -4.226 165.899 1.00 20.56 ? ? ? ? ? ? 6 ASP D O 1 +ATOM 5990 C CB . ASP D 1 7 ? 30.980 -6.354 164.046 1.00 17.80 ? ? ? ? ? ? 6 ASP D CB 1 +ATOM 5991 C CG . ASP D 1 7 ? 29.542 -5.900 163.891 1.00 19.81 ? ? ? ? ? ? 6 ASP D CG 1 +ATOM 5992 O OD1 . ASP D 1 7 ? 29.304 -4.797 163.343 1.00 25.65 ? ? ? ? ? ? 6 ASP D OD1 1 +ATOM 5993 O OD2 . ASP D 1 7 ? 28.650 -6.655 164.296 1.00 22.45 ? ? ? ? ? ? 6 ASP D OD2 1 +ATOM 5994 N N . LEU D 1 8 ? 31.816 -2.824 164.152 1.00 18.79 ? ? ? ? ? ? 7 LEU D N 1 +ATOM 5995 C CA . LEU D 1 8 ? 31.736 -1.612 164.971 1.00 19.80 ? ? ? ? ? ? 7 LEU D CA 1 +ATOM 5996 C C . LEU D 1 8 ? 30.411 -1.447 165.702 1.00 20.60 ? ? ? ? ? ? 7 LEU D C 1 +ATOM 5997 O O . LEU D 1 8 ? 30.359 -0.773 166.728 1.00 22.26 ? ? ? ? ? ? 7 LEU D O 1 +ATOM 5998 C CB . LEU D 1 8 ? 32.034 -0.332 164.162 1.00 19.16 ? ? ? ? ? ? 7 LEU D CB 1 +ATOM 5999 C CG . LEU D 1 8 ? 32.517 0.843 165.005 1.00 15.29 ? ? ? ? ? ? 7 LEU D CG 1 +ATOM 6000 C CD1 . LEU D 1 8 ? 34.069 0.676 165.281 1.00 13.21 ? ? ? ? ? ? 7 LEU D CD1 1 +ATOM 6001 C CD2 . LEU D 1 8 ? 32.231 2.216 164.370 1.00 17.38 ? ? ? ? ? ? 7 LEU D CD2 1 +ATOM 6002 N N . SER D 1 9 ? 29.347 -2.051 165.176 1.00 21.14 ? ? ? ? ? ? 8 SER D N 1 +ATOM 6003 C CA . SER D 1 9 ? 28.012 -1.938 165.744 1.00 21.87 ? ? ? ? ? ? 8 SER D CA 1 +ATOM 6004 C C . SER D 1 9 ? 27.927 -2.524 167.152 1.00 22.70 ? ? ? ? ? ? 8 SER D C 1 +ATOM 6005 O O . SER D 1 9 ? 27.003 -2.189 167.906 1.00 23.20 ? ? ? ? ? ? 8 SER D O 1 +ATOM 6006 C CB . SER D 1 9 ? 26.974 -2.613 164.840 1.00 22.13 ? ? ? ? ? ? 8 SER D CB 1 +ATOM 6007 O OG . SER D 1 9 ? 26.872 -1.960 163.594 1.00 24.40 ? ? ? ? ? ? 8 SER D OG 1 +ATOM 6008 N N . VAL D 1 10 ? 28.867 -3.416 167.478 1.00 22.34 ? ? ? ? ? ? 9 VAL D N 1 +ATOM 6009 C CA . VAL D 1 10 ? 28.975 -4.006 168.816 1.00 22.73 ? ? ? ? ? ? 9 VAL D CA 1 +ATOM 6010 C C . VAL D 1 10 ? 30.315 -3.679 169.523 1.00 23.79 ? ? ? ? ? ? 9 VAL D C 1 +ATOM 6011 O O . VAL D 1 10 ? 30.488 -4.001 170.691 1.00 27.25 ? ? ? ? ? ? 9 VAL D O 1 +ATOM 6012 C CB . VAL D 1 10 ? 28.763 -5.566 168.803 1.00 22.03 ? ? ? ? ? ? 9 VAL D CB 1 +ATOM 6013 C CG1 . VAL D 1 10 ? 27.312 -5.955 168.432 1.00 19.83 ? ? ? ? ? ? 9 VAL D CG1 1 +ATOM 6014 C CG2 . VAL D 1 10 ? 29.731 -6.214 167.930 1.00 18.06 ? ? ? ? ? ? 9 VAL D CG2 1 +ATOM 6015 N N . SER D 1 11 ? 31.235 -3.009 168.837 1.00 22.77 ? ? ? ? ? ? 10 SER D N 1 +ATOM 6016 C CA . SER D 1 11 ? 32.584 -2.785 169.371 1.00 21.85 ? ? ? ? ? ? 10 SER D CA 1 +ATOM 6017 C C . SER D 1 11 ? 32.651 -1.594 170.324 1.00 23.10 ? ? ? ? ? ? 10 SER D C 1 +ATOM 6018 O O . SER D 1 11 ? 31.688 -0.822 170.450 1.00 22.33 ? ? ? ? ? ? 10 SER D O 1 +ATOM 6019 C CB . SER D 1 11 ? 33.586 -2.571 168.236 1.00 22.68 ? ? ? ? ? ? 10 SER D CB 1 +ATOM 6020 O OG . SER D 1 11 ? 34.930 -2.594 168.739 1.00 26.86 ? ? ? ? ? ? 10 SER D OG 1 +ATOM 6021 N N . CYS D 1 12 ? 33.807 -1.479 170.991 1.00 23.05 ? ? ? ? ? ? 11 CYS D N 1 +ATOM 6022 C CA . CYS D 1 12 ? 34.102 -0.398 171.904 1.00 23.22 ? ? ? ? ? ? 11 CYS D CA 1 +ATOM 6023 C C . CYS D 1 12 ? 35.569 -0.047 171.752 1.00 23.26 ? ? ? ? ? ? 11 CYS D C 1 +ATOM 6024 O O . CYS D 1 12 ? 36.358 -0.868 171.296 1.00 24.11 ? ? ? ? ? ? 11 CYS D O 1 +ATOM 6025 C CB . CYS D 1 12 ? 33.826 -0.828 173.341 1.00 24.70 ? ? ? ? ? ? 11 CYS D CB 1 +ATOM 6026 S SG . CYS D 1 12 ? 34.750 -2.258 173.875 1.00 26.10 ? ? ? ? ? ? 11 CYS D SG 1 +ATOM 6027 N N . LEU D 1 13 ? 35.937 1.157 172.157 1.00 23.67 ? ? ? ? ? ? 12 LEU D N 1 +ATOM 6028 C CA . LEU D 1 13 ? 37.303 1.662 171.946 1.00 23.97 ? ? ? ? ? ? 12 LEU D CA 1 +ATOM 6029 C C . LEU D 1 13 ? 38.374 0.759 172.548 1.00 25.61 ? ? ? ? ? ? 12 LEU D C 1 +ATOM 6030 O O . LEU D 1 13 ? 39.449 0.552 171.941 1.00 26.04 ? ? ? ? ? ? 12 LEU D O 1 +ATOM 6031 C CB . LEU D 1 13 ? 37.422 3.096 172.497 1.00 23.78 ? ? ? ? ? ? 12 LEU D CB 1 +ATOM 6032 C CG . LEU D 1 13 ? 38.768 3.843 172.388 1.00 25.21 ? ? ? ? ? ? 12 LEU D CG 1 +ATOM 6033 C CD1 . LEU D 1 13 ? 39.152 4.006 170.916 1.00 22.19 ? ? ? ? ? ? 12 LEU D CD1 1 +ATOM 6034 C CD2 . LEU D 1 13 ? 38.740 5.218 173.093 1.00 23.32 ? ? ? ? ? ? 12 LEU D CD2 1 +ATOM 6035 N N . GLY D 1 14 ? 38.091 0.241 173.740 1.00 26.13 ? ? ? ? ? ? 13 GLY D N 1 +ATOM 6036 C CA . GLY D 1 14 ? 39.013 -0.634 174.433 1.00 26.89 ? ? ? ? ? ? 13 GLY D CA 1 +ATOM 6037 C C . GLY D 1 14 ? 39.442 -1.836 173.625 1.00 28.20 ? ? ? ? ? ? 13 GLY D C 1 +ATOM 6038 O O . GLY D 1 14 ? 40.602 -2.247 173.707 1.00 28.73 ? ? ? ? ? ? 13 GLY D O 1 +ATOM 6039 N N . LYS D 1 15 ? 38.526 -2.405 172.844 1.00 28.78 ? ? ? ? ? ? 14 LYS D N 1 +ATOM 6040 C CA . LYS D 1 15 ? 38.838 -3.571 171.980 1.00 30.25 ? ? ? ? ? ? 14 LYS D CA 1 +ATOM 6041 C C . LYS D 1 15 ? 39.710 -3.201 170.746 1.00 31.11 ? ? ? ? ? ? 14 LYS D C 1 +ATOM 6042 O O . LYS D 1 15 ? 40.547 -3.993 170.308 1.00 35.15 ? ? ? ? ? ? 14 LYS D O 1 +ATOM 6043 C CB . LYS D 1 15 ? 37.560 -4.283 171.518 1.00 26.21 ? ? ? ? ? ? 14 LYS D CB 1 +ATOM 6044 N N . VAL D 1 16 ? 39.520 -1.999 170.206 1.00 29.51 ? ? ? ? ? ? 15 VAL D N 1 +ATOM 6045 C CA . VAL D 1 16 ? 40.102 -1.656 168.917 1.00 28.46 ? ? ? ? ? ? 15 VAL D CA 1 +ATOM 6046 C C . VAL D 1 16 ? 41.369 -0.808 168.993 1.00 29.29 ? ? ? ? ? ? 15 VAL D C 1 +ATOM 6047 O O . VAL D 1 16 ? 42.154 -0.822 168.054 1.00 27.24 ? ? ? ? ? ? 15 VAL D O 1 +ATOM 6048 C CB . VAL D 1 16 ? 39.063 -0.974 168.008 1.00 28.08 ? ? ? ? ? ? 15 VAL D CB 1 +ATOM 6049 C CG1 . VAL D 1 16 ? 37.762 -1.803 167.987 1.00 27.88 ? ? ? ? ? ? 15 VAL D CG1 1 +ATOM 6050 C CG2 . VAL D 1 16 ? 38.810 0.479 168.424 1.00 26.43 ? ? ? ? ? ? 15 VAL D CG2 1 +ATOM 6051 N N . LYS D 1 17 ? 41.590 -0.096 170.102 1.00 30.76 ? ? ? ? ? ? 16 LYS D N 1 +ATOM 6052 C CA . LYS D 1 17 ? 42.536 1.020 170.080 1.00 34.76 ? ? ? ? ? ? 16 LYS D CA 1 +ATOM 6053 C C . LYS D 1 17 ? 44.004 0.638 169.844 1.00 35.11 ? ? ? ? ? ? 16 LYS D C 1 +ATOM 6054 O O . LYS D 1 17 ? 44.799 1.466 169.376 1.00 35.32 ? ? ? ? ? ? 16 LYS D O 1 +ATOM 6055 C CB . LYS D 1 17 ? 42.381 1.921 171.328 1.00 35.67 ? ? ? ? ? ? 16 LYS D CB 1 +ATOM 6056 C CG . LYS D 1 17 ? 43.035 1.459 172.634 1.00 37.34 ? ? ? ? ? ? 16 LYS D CG 1 +ATOM 6057 C CD . LYS D 1 17 ? 43.230 2.688 173.579 1.00 40.88 ? ? ? ? ? ? 16 LYS D CD 1 +ATOM 6058 C CE . LYS D 1 17 ? 44.115 2.367 174.819 1.00 51.00 ? ? ? ? ? ? 16 LYS D CE 1 +ATOM 6059 N NZ . LYS D 1 17 ? 43.339 1.816 175.994 1.00 56.32 ? ? ? ? ? ? 16 LYS D NZ 1 +ATOM 6060 N N . GLU D 1 18 ? 44.338 -0.611 170.139 1.00 36.05 ? ? ? ? ? ? 17 GLU D N 1 +ATOM 6061 C CA . GLU D 1 18 ? 45.697 -1.097 170.006 1.00 39.83 ? ? ? ? ? ? 17 GLU D CA 1 +ATOM 6062 C C . GLU D 1 18 ? 45.890 -2.003 168.763 1.00 38.59 ? ? ? ? ? ? 17 GLU D C 1 +ATOM 6063 O O . GLU D 1 18 ? 46.984 -2.541 168.537 1.00 39.17 ? ? ? ? ? ? 17 GLU D O 1 +ATOM 6064 C CB . GLU D 1 18 ? 46.105 -1.799 171.314 1.00 42.14 ? ? ? ? ? ? 17 GLU D CB 1 +ATOM 6065 C CG . GLU D 1 18 ? 45.421 -3.155 171.636 1.00 50.43 ? ? ? ? ? ? 17 GLU D CG 1 +ATOM 6066 C CD . GLU D 1 18 ? 43.894 -3.097 171.839 1.00 56.56 ? ? ? ? ? ? 17 GLU D CD 1 +ATOM 6067 O OE1 . GLU D 1 18 ? 43.298 -2.002 171.755 1.00 60.05 ? ? ? ? ? ? 17 GLU D OE1 1 +ATOM 6068 O OE2 . GLU D 1 18 ? 43.292 -4.174 172.074 1.00 60.04 ? ? ? ? ? ? 17 GLU D OE2 1 +ATOM 6069 N N . LEU D 1 19 ? 44.830 -2.165 167.964 1.00 35.43 ? ? ? ? ? ? 18 LEU D N 1 +ATOM 6070 C CA . LEU D 1 19 ? 44.891 -3.025 166.793 1.00 32.98 ? ? ? ? ? ? 18 LEU D CA 1 +ATOM 6071 C C . LEU D 1 19 ? 45.090 -2.236 165.514 1.00 31.75 ? ? ? ? ? ? 18 LEU D C 1 +ATOM 6072 O O . LEU D 1 19 ? 44.499 -1.173 165.318 1.00 32.02 ? ? ? ? ? ? 18 LEU D O 1 +ATOM 6073 C CB . LEU D 1 19 ? 43.627 -3.881 166.675 1.00 32.86 ? ? ? ? ? ? 18 LEU D CB 1 +ATOM 6074 C CG . LEU D 1 19 ? 43.294 -4.775 167.857 1.00 31.07 ? ? ? ? ? ? 18 LEU D CG 1 +ATOM 6075 C CD1 . LEU D 1 19 ? 42.140 -5.699 167.469 1.00 25.44 ? ? ? ? ? ? 18 LEU D CD1 1 +ATOM 6076 C CD2 . LEU D 1 19 ? 44.532 -5.579 168.299 1.00 30.54 ? ? ? ? ? ? 18 LEU D CD2 1 +ATOM 6077 N N . LYS D 1 20 ? 45.890 -2.811 164.616 1.00 30.75 ? ? ? ? ? ? 19 LYS D N 1 +ATOM 6078 C CA . LYS D 1 20 ? 46.060 -2.289 163.267 1.00 29.60 ? ? ? ? ? ? 19 LYS D CA 1 +ATOM 6079 C C . LYS D 1 20 ? 44.896 -2.707 162.394 1.00 26.70 ? ? ? ? ? ? 19 LYS D C 1 +ATOM 6080 O O . LYS D 1 20 ? 44.646 -3.878 162.232 1.00 24.36 ? ? ? ? ? ? 19 LYS D O 1 +ATOM 6081 C CB . LYS D 1 20 ? 47.346 -2.857 162.649 1.00 29.84 ? ? ? ? ? ? 19 LYS D CB 1 +ATOM 6082 C CG . LYS D 1 20 ? 47.646 -2.388 161.203 1.00 39.13 ? ? ? ? ? ? 19 LYS D CG 1 +ATOM 6083 C CD . LYS D 1 20 ? 48.226 -0.984 161.138 1.00 46.16 ? ? ? ? ? ? 19 LYS D CD 1 +ATOM 6084 C CE . LYS D 1 20 ? 48.663 -0.610 159.724 1.00 52.05 ? ? ? ? ? ? 19 LYS D CE 1 +ATOM 6085 N NZ . LYS D 1 20 ? 47.551 -0.396 158.745 1.00 55.48 ? ? ? ? ? ? 19 LYS D NZ 1 +ATOM 6086 N N . TYR D 1 21 ? 44.230 -1.749 161.777 1.00 25.17 ? ? ? ? ? ? 20 TYR D N 1 +ATOM 6087 C CA . TYR D 1 21 ? 43.210 -2.044 160.791 1.00 24.24 ? ? ? ? ? ? 20 TYR D CA 1 +ATOM 6088 C C . TYR D 1 21 ? 43.736 -1.704 159.404 1.00 23.86 ? ? ? ? ? ? 20 TYR D C 1 +ATOM 6089 O O . TYR D 1 21 ? 44.350 -0.655 159.211 1.00 25.71 ? ? ? ? ? ? 20 TYR D O 1 +ATOM 6090 C CB . TYR D 1 21 ? 41.908 -1.313 161.132 1.00 20.87 ? ? ? ? ? ? 20 TYR D CB 1 +ATOM 6091 C CG . TYR D 1 21 ? 41.222 -1.947 162.310 1.00 20.55 ? ? ? ? ? ? 20 TYR D CG 1 +ATOM 6092 C CD1 . TYR D 1 21 ? 41.544 -1.587 163.593 1.00 19.62 ? ? ? ? ? ? 20 TYR D CD1 1 +ATOM 6093 C CD2 . TYR D 1 21 ? 40.303 -2.962 162.135 1.00 20.37 ? ? ? ? ? ? 20 TYR D CD2 1 +ATOM 6094 C CE1 . TYR D 1 21 ? 40.954 -2.186 164.671 1.00 19.53 ? ? ? ? ? ? 20 TYR D CE1 1 +ATOM 6095 C CE2 . TYR D 1 21 ? 39.707 -3.578 163.213 1.00 18.55 ? ? ? ? ? ? 20 TYR D CE2 1 +ATOM 6096 C CZ . TYR D 1 21 ? 40.034 -3.176 164.487 1.00 20.38 ? ? ? ? ? ? 20 TYR D CZ 1 +ATOM 6097 O OH . TYR D 1 21 ? 39.456 -3.801 165.581 1.00 20.15 ? ? ? ? ? ? 20 TYR D OH 1 +ATOM 6098 N N . ASP D 1 22 ? 43.478 -2.597 158.454 1.00 24.59 ? ? ? ? ? ? 21 ASP D N 1 +ATOM 6099 C CA . ASP D 1 22 ? 43.975 -2.500 157.071 1.00 25.88 ? ? ? ? ? ? 21 ASP D CA 1 +ATOM 6100 C C . ASP D 1 22 ? 42.951 -1.891 156.090 1.00 26.13 ? ? ? ? ? ? 21 ASP D C 1 +ATOM 6101 O O . ASP D 1 22 ? 43.276 -0.999 155.276 1.00 27.20 ? ? ? ? ? ? 21 ASP D O 1 +ATOM 6102 C CB . ASP D 1 22 ? 44.350 -3.902 156.602 1.00 25.92 ? ? ? ? ? ? 21 ASP D CB 1 +ATOM 6103 C CG . ASP D 1 22 ? 45.521 -4.492 157.394 1.00 31.24 ? ? ? ? ? ? 21 ASP D CG 1 +ATOM 6104 O OD1 . ASP D 1 22 ? 46.603 -3.884 157.316 1.00 35.60 ? ? ? ? ? ? 21 ASP D OD1 1 +ATOM 6105 O OD2 . ASP D 1 22 ? 45.366 -5.555 158.060 1.00 32.51 ? ? ? ? ? ? 21 ASP D OD2 1 +ATOM 6106 N N . VAL D 1 23 ? 41.719 -2.382 156.149 1.00 24.11 ? ? ? ? ? ? 22 VAL D N 1 +ATOM 6107 C CA . VAL D 1 23 ? 40.677 -1.914 155.233 1.00 22.65 ? ? ? ? ? ? 22 VAL D CA 1 +ATOM 6108 C C . VAL D 1 23 ? 39.404 -1.654 156.026 1.00 21.78 ? ? ? ? ? ? 22 VAL D C 1 +ATOM 6109 O O . VAL D 1 23 ? 39.124 -2.372 156.979 1.00 19.86 ? ? ? ? ? ? 22 VAL D O 1 +ATOM 6110 C CB . VAL D 1 23 ? 40.439 -2.952 154.158 1.00 23.85 ? ? ? ? ? ? 22 VAL D CB 1 +ATOM 6111 C CG1 . VAL D 1 23 ? 39.430 -2.452 153.123 1.00 20.86 ? ? ? ? ? ? 22 VAL D CG1 1 +ATOM 6112 C CG2 . VAL D 1 23 ? 41.809 -3.395 153.530 1.00 19.62 ? ? ? ? ? ? 22 VAL D CG2 1 +ATOM 6113 N N . ILE D 1 24 ? 38.677 -0.593 155.650 1.00 20.02 ? ? ? ? ? ? 23 ILE D N 1 +ATOM 6114 C CA . ILE D 1 24 ? 37.395 -0.245 156.225 1.00 18.09 ? ? ? ? ? ? 23 ILE D CA 1 +ATOM 6115 C C . ILE D 1 24 ? 36.311 -0.673 155.247 1.00 18.11 ? ? ? ? ? ? 23 ILE D C 1 +ATOM 6116 O O . ILE D 1 24 ? 36.462 -0.493 154.031 1.00 18.52 ? ? ? ? ? ? 23 ILE D O 1 +ATOM 6117 C CB . ILE D 1 24 ? 37.285 1.275 156.490 1.00 18.52 ? ? ? ? ? ? 23 ILE D CB 1 +ATOM 6118 C CG1 . ILE D 1 24 ? 38.481 1.800 157.291 1.00 18.49 ? ? ? ? ? ? 23 ILE D CG1 1 +ATOM 6119 C CG2 . ILE D 1 24 ? 35.924 1.650 157.165 1.00 13.16 ? ? ? ? ? ? 23 ILE D CG2 1 +ATOM 6120 C CD1 . ILE D 1 24 ? 38.760 1.098 158.636 1.00 21.41 ? ? ? ? ? ? 23 ILE D CD1 1 +ATOM 6121 N N . ILE D 1 25 ? 35.251 -1.300 155.770 1.00 17.68 ? ? ? ? ? ? 24 ILE D N 1 +ATOM 6122 C CA . ILE D 1 25 ? 34.093 -1.754 154.979 1.00 18.36 ? ? ? ? ? ? 24 ILE D CA 1 +ATOM 6123 C C . ILE D 1 25 ? 32.878 -0.951 155.440 1.00 16.74 ? ? ? ? ? ? 24 ILE D C 1 +ATOM 6124 O O . ILE D 1 25 ? 32.557 -0.926 156.619 1.00 16.80 ? ? ? ? ? ? 24 ILE D O 1 +ATOM 6125 C CB . ILE D 1 25 ? 33.788 -3.292 155.175 1.00 18.47 ? ? ? ? ? ? 24 ILE D CB 1 +ATOM 6126 C CG1 . ILE D 1 25 ? 35.081 -4.129 155.125 1.00 21.90 ? ? ? ? ? ? 24 ILE D CG1 1 +ATOM 6127 C CG2 . ILE D 1 25 ? 32.795 -3.782 154.149 1.00 14.40 ? ? ? ? ? ? 24 ILE D CG2 1 +ATOM 6128 C CD1 . ILE D 1 25 ? 35.899 -3.909 153.850 1.00 26.94 ? ? ? ? ? ? 24 ILE D CD1 1 +ATOM 6129 N N . LEU D 1 26 ? 32.235 -0.276 154.501 1.00 17.31 ? ? ? ? ? ? 25 LEU D N 1 +ATOM 6130 C CA . LEU D 1 26 ? 31.063 0.538 154.776 1.00 17.56 ? ? ? ? ? ? 25 LEU D CA 1 +ATOM 6131 C C . LEU D 1 26 ? 29.823 -0.110 154.176 1.00 18.00 ? ? ? ? ? ? 25 LEU D C 1 +ATOM 6132 O O . LEU D 1 26 ? 29.583 0.013 152.985 1.00 19.04 ? ? ? ? ? ? 25 LEU D O 1 +ATOM 6133 C CB . LEU D 1 26 ? 31.266 1.962 154.211 1.00 17.82 ? ? ? ? ? ? 25 LEU D CB 1 +ATOM 6134 C CG . LEU D 1 26 ? 30.111 2.961 154.392 1.00 15.86 ? ? ? ? ? ? 25 LEU D CG 1 +ATOM 6135 C CD1 . LEU D 1 26 ? 29.737 3.176 155.908 1.00 13.33 ? ? ? ? ? ? 25 LEU D CD1 1 +ATOM 6136 C CD2 . LEU D 1 26 ? 30.446 4.284 153.692 1.00 14.71 ? ? ? ? ? ? 25 LEU D CD2 1 +ATOM 6137 N N . PRO D 1 27 ? 29.015 -0.817 154.998 1.00 18.87 ? ? ? ? ? ? 26 PRO D N 1 +ATOM 6138 C CA . PRO D 1 27 ? 27.747 -1.283 154.440 1.00 18.29 ? ? ? ? ? ? 26 PRO D CA 1 +ATOM 6139 C C . PRO D 1 27 ? 26.786 -0.135 154.166 1.00 18.67 ? ? ? ? ? ? 26 PRO D C 1 +ATOM 6140 O O . PRO D 1 27 ? 26.638 0.772 154.992 1.00 19.12 ? ? ? ? ? ? 26 PRO D O 1 +ATOM 6141 C CB . PRO D 1 27 ? 27.196 -2.246 155.514 1.00 19.88 ? ? ? ? ? ? 26 PRO D CB 1 +ATOM 6142 C CG . PRO D 1 27 ? 28.341 -2.523 156.425 1.00 18.75 ? ? ? ? ? ? 26 PRO D CG 1 +ATOM 6143 C CD . PRO D 1 27 ? 29.174 -1.249 156.395 1.00 19.33 ? ? ? ? ? ? 26 PRO D CD 1 +ATOM 6144 N N . TRP D 1 28 ? 26.161 -0.135 152.998 1.00 18.06 ? ? ? ? ? ? 27 TRP D N 1 +ATOM 6145 C CA . TRP D 1 28 ? 25.273 0.945 152.655 1.00 17.55 ? ? ? ? ? ? 27 TRP D CA 1 +ATOM 6146 C C . TRP D 1 28 ? 23.988 0.372 152.132 1.00 16.33 ? ? ? ? ? ? 27 TRP D C 1 +ATOM 6147 O O . TRP D 1 28 ? 23.953 -0.274 151.092 1.00 16.37 ? ? ? ? ? ? 27 TRP D O 1 +ATOM 6148 C CB . TRP D 1 28 ? 25.914 1.900 151.642 1.00 16.60 ? ? ? ? ? ? 27 TRP D CB 1 +ATOM 6149 C CG . TRP D 1 28 ? 25.314 3.260 151.605 1.00 13.58 ? ? ? ? ? ? 27 TRP D CG 1 +ATOM 6150 C CD1 . TRP D 1 28 ? 23.973 3.595 151.516 1.00 14.83 ? ? ? ? ? ? 27 TRP D CD1 1 +ATOM 6151 C CD2 . TRP D 1 28 ? 26.034 4.509 151.642 1.00 13.78 ? ? ? ? ? ? 27 TRP D CD2 1 +ATOM 6152 N NE1 . TRP D 1 28 ? 23.826 4.959 151.491 1.00 14.01 ? ? ? ? ? ? 27 TRP D NE1 1 +ATOM 6153 C CE2 . TRP D 1 28 ? 25.076 5.545 151.573 1.00 17.03 ? ? ? ? ? ? 27 TRP D CE2 1 +ATOM 6154 C CE3 . TRP D 1 28 ? 27.382 4.837 151.745 1.00 14.81 ? ? ? ? ? ? 27 TRP D CE3 1 +ATOM 6155 C CZ2 . TRP D 1 28 ? 25.434 6.887 151.580 1.00 16.00 ? ? ? ? ? ? 27 TRP D CZ2 1 +ATOM 6156 C CZ3 . TRP D 1 28 ? 27.739 6.158 151.746 1.00 16.79 ? ? ? ? ? ? 27 TRP D CZ3 1 +ATOM 6157 C CH2 . TRP D 1 28 ? 26.763 7.180 151.690 1.00 17.29 ? ? ? ? ? ? 27 TRP D CH2 1 +ATOM 6158 N N . GLY D 1 29 ? 22.925 0.643 152.879 1.00 16.27 ? ? ? ? ? ? 28 GLY D N 1 +ATOM 6159 C CA . GLY D 1 29 ? 21.626 0.060 152.618 1.00 16.74 ? ? ? ? ? ? 28 GLY D CA 1 +ATOM 6160 C C . GLY D 1 29 ? 20.597 1.066 152.233 1.00 16.90 ? ? ? ? ? ? 28 GLY D C 1 +ATOM 6161 O O . GLY D 1 29 ? 20.885 1.973 151.462 1.00 16.34 ? ? ? ? ? ? 28 GLY D O 1 +ATOM 6162 N N . ALA D 1 30 ? 19.391 0.845 152.761 1.00 17.44 ? ? ? ? ? ? 29 ALA D N 1 +ATOM 6163 C CA . ALA D 1 30 ? 18.185 1.608 152.486 1.00 16.81 ? ? ? ? ? ? 29 ALA D CA 1 +ATOM 6164 C C . ALA D 1 30 ? 17.148 1.294 153.564 1.00 17.55 ? ? ? ? ? ? 29 ALA D C 1 +ATOM 6165 O O . ALA D 1 30 ? 17.194 0.232 154.194 1.00 17.94 ? ? ? ? ? ? 29 ALA D O 1 +ATOM 6166 C CB . ALA D 1 30 ? 17.600 1.301 151.088 1.00 13.72 ? ? ? ? ? ? 29 ALA D CB 1 +ATOM 6167 N N . THR D 1 31 ? 16.236 2.238 153.781 1.00 18.24 ? ? ? ? ? ? 30 THR D N 1 +ATOM 6168 C CA . THR D 1 31 ? 15.027 2.009 154.587 1.00 18.58 ? ? ? ? ? ? 30 THR D CA 1 +ATOM 6169 C C . THR D 1 31 ? 13.848 1.881 153.614 1.00 19.68 ? ? ? ? ? ? 30 THR D C 1 +ATOM 6170 O O . THR D 1 31 ? 13.366 2.881 153.107 1.00 18.61 ? ? ? ? ? ? 30 THR D O 1 +ATOM 6171 C CB . THR D 1 31 ? 14.818 3.170 155.558 1.00 17.92 ? ? ? ? ? ? 30 THR D CB 1 +ATOM 6172 O OG1 . THR D 1 31 ? 16.029 3.345 156.299 1.00 18.82 ? ? ? ? ? ? 30 THR D OG1 1 +ATOM 6173 C CG2 . THR D 1 31 ? 13.643 2.897 156.493 1.00 15.40 ? ? ? ? ? ? 30 THR D CG2 1 +ATOM 6174 N N . GLU D 1 32 ? 13.425 0.644 153.352 1.00 20.26 ? ? ? ? ? ? 31 GLU D N 1 +ATOM 6175 C CA . GLU D 1 32 ? 12.613 0.335 152.181 1.00 20.38 ? ? ? ? ? ? 31 GLU D CA 1 +ATOM 6176 C C . GLU D 1 32 ? 11.707 -0.878 152.370 1.00 20.63 ? ? ? ? ? ? 31 GLU D C 1 +ATOM 6177 O O . GLU D 1 32 ? 12.169 -1.929 152.750 1.00 21.21 ? ? ? ? ? ? 31 GLU D O 1 +ATOM 6178 C CB . GLU D 1 32 ? 13.553 0.062 151.017 1.00 20.03 ? ? ? ? ? ? 31 GLU D CB 1 +ATOM 6179 C CG . GLU D 1 32 ? 12.878 -0.169 149.689 1.00 20.06 ? ? ? ? ? ? 31 GLU D CG 1 +ATOM 6180 C CD . GLU D 1 32 ? 13.848 -0.593 148.584 1.00 25.26 ? ? ? ? ? ? 31 GLU D CD 1 +ATOM 6181 O OE1 . GLU D 1 32 ? 14.958 -1.045 148.918 1.00 21.52 ? ? ? ? ? ? 31 GLU D OE1 1 +ATOM 6182 O OE2 . GLU D 1 32 ? 13.488 -0.483 147.386 1.00 26.14 ? ? ? ? ? ? 31 GLU D OE2 1 +ATOM 6183 N N . PRO D 1 33 ? 10.410 -0.755 152.054 1.00 22.35 ? ? ? ? ? ? 32 PRO D N 1 +ATOM 6184 C CA . PRO D 1 33 ? 9.570 -1.944 152.083 1.00 22.12 ? ? ? ? ? ? 32 PRO D CA 1 +ATOM 6185 C C . PRO D 1 33 ? 10.081 -3.039 151.143 1.00 21.41 ? ? ? ? ? ? 32 PRO D C 1 +ATOM 6186 O O . PRO D 1 33 ? 10.438 -2.755 150.010 1.00 20.53 ? ? ? ? ? ? 32 PRO D O 1 +ATOM 6187 C CB . PRO D 1 33 ? 8.208 -1.424 151.602 1.00 20.34 ? ? ? ? ? ? 32 PRO D CB 1 +ATOM 6188 C CG . PRO D 1 33 ? 8.196 -0.033 151.934 1.00 22.79 ? ? ? ? ? ? 32 PRO D CG 1 +ATOM 6189 C CD . PRO D 1 33 ? 9.615 0.441 151.712 1.00 22.13 ? ? ? ? ? ? 32 PRO D CD 1 +ATOM 6190 N N . HIS D 1 34 ? 10.070 -4.276 151.622 1.00 20.47 ? ? ? ? ? ? 33 HIS D N 1 +ATOM 6191 C CA . HIS D 1 34 ? 10.587 -5.439 150.904 1.00 19.86 ? ? ? ? ? ? 33 HIS D CA 1 +ATOM 6192 C C . HIS D 1 34 ? 9.485 -6.501 150.845 1.00 20.38 ? ? ? ? ? ? 33 HIS D C 1 +ATOM 6193 O O . HIS D 1 34 ? 9.510 -7.444 151.622 1.00 18.43 ? ? ? ? ? ? 33 HIS D O 1 +ATOM 6194 C CB . HIS D 1 34 ? 11.837 -6.016 151.614 1.00 18.19 ? ? ? ? ? ? 33 HIS D CB 1 +ATOM 6195 C CG . HIS D 1 34 ? 13.134 -5.401 151.187 1.00 15.52 ? ? ? ? ? ? 33 HIS D CG 1 +ATOM 6196 N ND1 . HIS D 1 34 ? 13.562 -4.167 151.621 1.00 14.03 ? ? ? ? ? ? 33 HIS D ND1 1 +ATOM 6197 C CD2 . HIS D 1 34 ? 14.104 -5.869 150.373 1.00 17.98 ? ? ? ? ? ? 33 HIS D CD2 1 +ATOM 6198 C CE1 . HIS D 1 34 ? 14.723 -3.888 151.063 1.00 19.15 ? ? ? ? ? ? 33 HIS D CE1 1 +ATOM 6199 N NE2 . HIS D 1 34 ? 15.075 -4.905 150.302 1.00 17.07 ? ? ? ? ? ? 33 HIS D NE2 1 +ATOM 6200 N N . ASN D 1 35 ? 8.534 -6.351 149.913 1.00 21.32 ? ? ? ? ? ? 34 ASN D N 1 +ATOM 6201 C CA . ASN D 1 35 ? 7.357 -7.231 149.869 1.00 22.21 ? ? ? ? ? ? 34 ASN D CA 1 +ATOM 6202 C C . ASN D 1 35 ? 6.698 -7.058 151.240 1.00 23.42 ? ? ? ? ? ? 34 ASN D C 1 +ATOM 6203 O O . ASN D 1 35 ? 6.925 -6.025 151.874 1.00 23.84 ? ? ? ? ? ? 34 ASN D O 1 +ATOM 6204 C CB . ASN D 1 35 ? 7.761 -8.684 149.519 1.00 21.20 ? ? ? ? ? ? 34 ASN D CB 1 +ATOM 6205 C CG . ASN D 1 35 ? 6.584 -9.555 149.032 1.00 19.75 ? ? ? ? ? ? 34 ASN D CG 1 +ATOM 6206 O OD1 . ASN D 1 35 ? 5.493 -9.543 149.615 1.00 19.59 ? ? ? ? ? ? 34 ASN D OD1 1 +ATOM 6207 N ND2 . ASN D 1 35 ? 6.822 -10.333 147.983 1.00 19.98 ? ? ? ? ? ? 34 ASN D ND2 1 +ATOM 6208 N N . LEU D 1 36 ? 5.874 -8.013 151.685 1.00 24.05 ? ? ? ? ? ? 35 LEU D N 1 +ATOM 6209 C CA . LEU D 1 36 ? 5.166 -7.915 152.980 1.00 22.99 ? ? ? ? ? ? 35 LEU D CA 1 +ATOM 6210 C C . LEU D 1 36 ? 5.987 -8.470 154.130 1.00 22.06 ? ? ? ? ? ? 35 LEU D C 1 +ATOM 6211 O O . LEU D 1 36 ? 5.761 -8.099 155.261 1.00 24.29 ? ? ? ? ? ? 35 LEU D O 1 +ATOM 6212 C CB . LEU D 1 36 ? 3.821 -8.668 152.903 1.00 23.02 ? ? ? ? ? ? 35 LEU D CB 1 +ATOM 6213 C CG . LEU D 1 36 ? 2.844 -8.162 151.819 1.00 24.97 ? ? ? ? ? ? 35 LEU D CG 1 +ATOM 6214 C CD1 . LEU D 1 36 ? 1.677 -9.102 151.626 1.00 23.67 ? ? ? ? ? ? 35 LEU D CD1 1 +ATOM 6215 C CD2 . LEU D 1 36 ? 2.358 -6.751 152.126 1.00 20.72 ? ? ? ? ? ? 35 LEU D CD2 1 +ATOM 6216 N N . HIS D 1 37 ? 6.976 -9.311 153.830 1.00 22.03 ? ? ? ? ? ? 36 HIS D N 1 +ATOM 6217 C CA . HIS D 1 37 ? 7.572 -10.215 154.812 1.00 21.94 ? ? ? ? ? ? 36 HIS D CA 1 +ATOM 6218 C C . HIS D 1 37 ? 8.990 -9.887 155.289 1.00 22.10 ? ? ? ? ? ? 36 HIS D C 1 +ATOM 6219 O O . HIS D 1 37 ? 9.382 -10.327 156.349 1.00 22.79 ? ? ? ? ? ? 36 HIS D O 1 +ATOM 6220 C CB . HIS D 1 37 ? 7.564 -11.651 154.277 1.00 21.77 ? ? ? ? ? ? 36 HIS D CB 1 +ATOM 6221 C CG . HIS D 1 37 ? 8.443 -11.861 153.081 1.00 20.32 ? ? ? ? ? ? 36 HIS D CG 1 +ATOM 6222 N ND1 . HIS D 1 37 ? 8.271 -11.174 151.901 1.00 17.20 ? ? ? ? ? ? 36 HIS D ND1 1 +ATOM 6223 C CD2 . HIS D 1 37 ? 9.490 -12.694 152.880 1.00 17.52 ? ? ? ? ? ? 36 HIS D CD2 1 +ATOM 6224 C CE1 . HIS D 1 37 ? 9.198 -11.552 151.038 1.00 22.97 ? ? ? ? ? ? 36 HIS D CE1 1 +ATOM 6225 N NE2 . HIS D 1 37 ? 9.933 -12.495 151.598 1.00 17.68 ? ? ? ? ? ? 36 HIS D NE2 1 +ATOM 6226 N N . LEU D 1 38 ? 9.753 -9.144 154.505 1.00 21.21 ? ? ? ? ? ? 37 LEU D N 1 +ATOM 6227 C CA . LEU D 1 38 ? 11.166 -8.891 154.805 1.00 20.21 ? ? ? ? ? ? 37 LEU D CA 1 +ATOM 6228 C C . LEU D 1 38 ? 11.310 -7.535 155.501 1.00 19.84 ? ? ? ? ? ? 37 LEU D C 1 +ATOM 6229 O O . LEU D 1 38 ? 10.473 -6.629 155.304 1.00 19.40 ? ? ? ? ? ? 37 LEU D O 1 +ATOM 6230 C CB . LEU D 1 38 ? 12.022 -8.917 153.528 1.00 19.05 ? ? ? ? ? ? 37 LEU D CB 1 +ATOM 6231 C CG . LEU D 1 38 ? 12.489 -10.260 152.978 1.00 18.65 ? ? ? ? ? ? 37 LEU D CG 1 +ATOM 6232 C CD1 . LEU D 1 38 ? 13.199 -10.068 151.613 1.00 14.72 ? ? ? ? ? ? 37 LEU D CD1 1 +ATOM 6233 C CD2 . LEU D 1 38 ? 13.411 -10.956 154.006 1.00 19.64 ? ? ? ? ? ? 37 LEU D CD2 1 +ATOM 6234 N N . PRO D 1 39 ? 12.355 -7.392 156.339 1.00 20.86 ? ? ? ? ? ? 38 PRO D N 1 +ATOM 6235 C CA . PRO D 1 39 ? 12.500 -6.156 157.074 1.00 20.50 ? ? ? ? ? ? 38 PRO D CA 1 +ATOM 6236 C C . PRO D 1 39 ? 12.769 -4.927 156.212 1.00 19.58 ? ? ? ? ? ? 38 PRO D C 1 +ATOM 6237 O O . PRO D 1 39 ? 13.398 -5.029 155.141 1.00 18.48 ? ? ? ? ? ? 38 PRO D O 1 +ATOM 6238 C CB . PRO D 1 39 ? 13.693 -6.442 157.987 1.00 20.56 ? ? ? ? ? ? 38 PRO D CB 1 +ATOM 6239 C CG . PRO D 1 39 ? 13.887 -7.882 157.960 1.00 19.35 ? ? ? ? ? ? 38 PRO D CG 1 +ATOM 6240 C CD . PRO D 1 39 ? 13.393 -8.368 156.709 1.00 19.01 ? ? ? ? ? ? 38 PRO D CD 1 +ATOM 6241 N N . TYR D 1 40 ? 12.324 -3.776 156.719 1.00 19.22 ? ? ? ? ? ? 39 TYR D N 1 +ATOM 6242 C CA . TYR D 1 40 ? 12.594 -2.484 156.124 1.00 18.72 ? ? ? ? ? ? 39 TYR D CA 1 +ATOM 6243 C C . TYR D 1 40 ? 14.114 -2.253 156.000 1.00 18.28 ? ? ? ? ? ? 39 TYR D C 1 +ATOM 6244 O O . TYR D 1 40 ? 14.562 -1.538 155.111 1.00 18.48 ? ? ? ? ? ? 39 TYR D O 1 +ATOM 6245 C CB . TYR D 1 40 ? 11.963 -1.364 156.981 1.00 18.61 ? ? ? ? ? ? 39 TYR D CB 1 +ATOM 6246 C CG . TYR D 1 40 ? 10.536 -0.985 156.635 1.00 18.58 ? ? ? ? ? ? 39 TYR D CG 1 +ATOM 6247 C CD1 . TYR D 1 40 ? 9.474 -1.691 157.142 1.00 16.07 ? ? ? ? ? ? 39 TYR D CD1 1 +ATOM 6248 C CD2 . TYR D 1 40 ? 10.254 0.123 155.830 1.00 17.47 ? ? ? ? ? ? 39 TYR D CD2 1 +ATOM 6249 C CE1 . TYR D 1 40 ? 8.161 -1.330 156.846 1.00 19.61 ? ? ? ? ? ? 39 TYR D CE1 1 +ATOM 6250 C CE2 . TYR D 1 40 ? 8.942 0.496 155.541 1.00 20.42 ? ? ? ? ? ? 39 TYR D CE2 1 +ATOM 6251 C CZ . TYR D 1 40 ? 7.903 -0.242 156.043 1.00 17.47 ? ? ? ? ? ? 39 TYR D CZ 1 +ATOM 6252 O OH . TYR D 1 40 ? 6.607 0.109 155.777 1.00 20.61 ? ? ? ? ? ? 39 TYR D OH 1 +ATOM 6253 N N . LEU D 1 41 ? 14.895 -2.844 156.905 1.00 18.46 ? ? ? ? ? ? 40 LEU D N 1 +ATOM 6254 C CA . LEU D 1 41 ? 16.373 -2.675 156.895 1.00 17.58 ? ? ? ? ? ? 40 LEU D CA 1 +ATOM 6255 C C . LEU D 1 41 ? 17.146 -3.803 156.216 1.00 17.52 ? ? ? ? ? ? 40 LEU D C 1 +ATOM 6256 O O . LEU D 1 41 ? 18.354 -3.875 156.366 1.00 17.80 ? ? ? ? ? ? 40 LEU D O 1 +ATOM 6257 C CB . LEU D 1 41 ? 16.901 -2.430 158.321 1.00 17.23 ? ? ? ? ? ? 40 LEU D CB 1 +ATOM 6258 C CG . LEU D 1 41 ? 16.487 -1.074 158.937 1.00 17.56 ? ? ? ? ? ? 40 LEU D CG 1 +ATOM 6259 C CD1 . LEU D 1 41 ? 17.085 -0.960 160.275 1.00 18.46 ? ? ? ? ? ? 40 LEU D CD1 1 +ATOM 6260 C CD2 . LEU D 1 41 ? 16.943 0.066 158.099 1.00 17.60 ? ? ? ? ? ? 40 LEU D CD2 1 +ATOM 6261 N N . THR D 1 42 ? 16.460 -4.624 155.420 1.00 18.66 ? ? ? ? ? ? 41 THR D N 1 +ATOM 6262 C CA . THR D 1 42 ? 17.076 -5.745 154.690 1.00 18.04 ? ? ? ? ? ? 41 THR D CA 1 +ATOM 6263 C C . THR D 1 42 ? 18.369 -5.379 153.967 1.00 18.55 ? ? ? ? ? ? 41 THR D C 1 +ATOM 6264 O O . THR D 1 42 ? 19.350 -6.089 154.081 1.00 18.14 ? ? ? ? ? ? 41 THR D O 1 +ATOM 6265 C CB . THR D 1 42 ? 16.122 -6.317 153.629 1.00 19.16 ? ? ? ? ? ? 41 THR D CB 1 +ATOM 6266 O OG1 . THR D 1 42 ? 15.017 -6.958 154.251 1.00 15.87 ? ? ? ? ? ? 41 THR D OG1 1 +ATOM 6267 C CG2 . THR D 1 42 ? 16.843 -7.325 152.683 1.00 14.49 ? ? ? ? ? ? 41 THR D CG2 1 +ATOM 6268 N N . ASP D 1 43 ? 18.367 -4.240 153.277 1.00 18.93 ? ? ? ? ? ? 42 ASP D N 1 +ATOM 6269 C CA . ASP D 1 43 ? 19.524 -3.786 152.495 1.00 18.06 ? ? ? ? ? ? 42 ASP D CA 1 +ATOM 6270 C C . ASP D 1 43 ? 20.700 -3.276 153.311 1.00 18.43 ? ? ? ? ? ? 42 ASP D C 1 +ATOM 6271 O O . ASP D 1 43 ? 21.774 -3.121 152.748 1.00 17.74 ? ? ? ? ? ? 42 ASP D O 1 +ATOM 6272 C CB . ASP D 1 43 ? 19.146 -2.684 151.517 1.00 18.85 ? ? ? ? ? ? 42 ASP D CB 1 +ATOM 6273 C CG . ASP D 1 43 ? 18.225 -3.143 150.468 1.00 19.40 ? ? ? ? ? ? 42 ASP D CG 1 +ATOM 6274 O OD1 . ASP D 1 43 ? 17.945 -4.375 150.426 1.00 17.77 ? ? ? ? ? ? 42 ASP D OD1 1 +ATOM 6275 O OD2 . ASP D 1 43 ? 17.802 -2.263 149.674 1.00 18.92 ? ? ? ? ? ? 42 ASP D OD2 1 +ATOM 6276 N N . CYS D 1 44 ? 20.477 -2.992 154.601 1.00 18.37 ? ? ? ? ? ? 43 CYS D N 1 +ATOM 6277 C CA . CYS D 1 44 ? 21.535 -2.723 155.564 1.00 19.69 ? ? ? ? ? ? 43 CYS D CA 1 +ATOM 6278 C C . CYS D 1 44 ? 22.029 -3.993 156.252 1.00 19.26 ? ? ? ? ? ? 43 CYS D C 1 +ATOM 6279 O O . CYS D 1 44 ? 23.224 -4.214 156.403 1.00 19.09 ? ? ? ? ? ? 43 CYS D O 1 +ATOM 6280 C CB . CYS D 1 44 ? 21.028 -1.798 156.667 1.00 20.65 ? ? ? ? ? ? 43 CYS D CB 1 +ATOM 6281 S SG . CYS D 1 44 ? 20.760 -0.095 156.229 1.00 26.09 ? ? ? ? ? ? 43 CYS D SG 1 +ATOM 6282 N N . ILE D 1 45 ? 21.094 -4.799 156.727 1.00 18.60 ? ? ? ? ? ? 44 ILE D N 1 +ATOM 6283 C CA . ILE D 1 45 ? 21.420 -6.010 157.480 1.00 18.64 ? ? ? ? ? ? 44 ILE D CA 1 +ATOM 6284 C C . ILE D 1 45 ? 22.241 -6.985 156.632 1.00 19.21 ? ? ? ? ? ? 44 ILE D C 1 +ATOM 6285 O O . ILE D 1 45 ? 23.244 -7.506 157.102 1.00 20.35 ? ? ? ? ? ? 44 ILE D O 1 +ATOM 6286 C CB . ILE D 1 45 ? 20.118 -6.716 157.953 1.00 17.52 ? ? ? ? ? ? 44 ILE D CB 1 +ATOM 6287 C CG1 . ILE D 1 45 ? 19.292 -5.798 158.897 1.00 20.34 ? ? ? ? ? ? 44 ILE D CG1 1 +ATOM 6288 C CG2 . ILE D 1 45 ? 20.425 -8.069 158.585 1.00 16.96 ? ? ? ? ? ? 44 ILE D CG2 1 +ATOM 6289 C CD1 . ILE D 1 45 ? 17.881 -6.308 159.162 1.00 14.17 ? ? ? ? ? ? 44 ILE D CD1 1 +ATOM 6290 N N . LEU D 1 46 ? 21.838 -7.233 155.381 1.00 18.81 ? ? ? ? ? ? 45 LEU D N 1 +ATOM 6291 C CA . LEU D 1 46 ? 22.509 -8.267 154.568 1.00 18.88 ? ? ? ? ? ? 45 LEU D CA 1 +ATOM 6292 C C . LEU D 1 46 ? 23.986 -7.984 154.238 1.00 18.53 ? ? ? ? ? ? 45 LEU D C 1 +ATOM 6293 O O . LEU D 1 46 ? 24.841 -8.827 154.536 1.00 17.92 ? ? ? ? ? ? 45 LEU D O 1 +ATOM 6294 C CB . LEU D 1 46 ? 21.693 -8.634 153.305 1.00 18.85 ? ? ? ? ? ? 45 LEU D CB 1 +ATOM 6295 C CG . LEU D 1 46 ? 20.349 -9.337 153.636 1.00 19.21 ? ? ? ? ? ? 45 LEU D CG 1 +ATOM 6296 C CD1 . LEU D 1 46 ? 19.617 -9.847 152.429 1.00 15.35 ? ? ? ? ? ? 45 LEU D CD1 1 +ATOM 6297 C CD2 . LEU D 1 46 ? 20.520 -10.467 154.639 1.00 15.50 ? ? ? ? ? ? 45 LEU D CD2 1 +ATOM 6298 N N . PRO D 1 47 ? 24.295 -6.795 153.658 1.00 18.49 ? ? ? ? ? ? 46 PRO D N 1 +ATOM 6299 C CA . PRO D 1 47 ? 25.699 -6.500 153.447 1.00 18.13 ? ? ? ? ? ? 46 PRO D CA 1 +ATOM 6300 C C . PRO D 1 47 ? 26.493 -6.368 154.748 1.00 18.53 ? ? ? ? ? ? 46 PRO D C 1 +ATOM 6301 O O . PRO D 1 47 ? 27.700 -6.584 154.740 1.00 20.35 ? ? ? ? ? ? 46 PRO D O 1 +ATOM 6302 C CB . PRO D 1 47 ? 25.679 -5.177 152.664 1.00 18.82 ? ? ? ? ? ? 46 PRO D CB 1 +ATOM 6303 C CG . PRO D 1 47 ? 24.357 -4.551 152.938 1.00 17.49 ? ? ? ? ? ? 46 PRO D CG 1 +ATOM 6304 C CD . PRO D 1 47 ? 23.415 -5.704 153.173 1.00 19.90 ? ? ? ? ? ? 46 PRO D CD 1 +ATOM 6305 N N . HIS D 1 48 ? 25.827 -6.012 155.851 1.00 19.56 ? ? ? ? ? ? 47 HIS D N 1 +ATOM 6306 C CA . HIS D 1 48 ? 26.510 -5.957 157.145 1.00 20.86 ? ? ? ? ? ? 47 HIS D CA 1 +ATOM 6307 C C . HIS D 1 48 ? 27.008 -7.332 157.583 1.00 19.44 ? ? ? ? ? ? 47 HIS D C 1 +ATOM 6308 O O . HIS D 1 48 ? 28.168 -7.480 157.943 1.00 19.00 ? ? ? ? ? ? 47 HIS D O 1 +ATOM 6309 C CB . HIS D 1 48 ? 25.627 -5.362 158.229 1.00 20.22 ? ? ? ? ? ? 47 HIS D CB 1 +ATOM 6310 C CG . HIS D 1 48 ? 26.238 -5.435 159.602 1.00 21.42 ? ? ? ? ? ? 47 HIS D CG 1 +ATOM 6311 N ND1 . HIS D 1 48 ? 26.071 -6.516 160.437 1.00 22.52 ? ? ? ? ? ? 47 HIS D ND1 1 +ATOM 6312 C CD2 . HIS D 1 48 ? 27.046 -4.579 160.260 1.00 23.32 ? ? ? ? ? ? 47 HIS D CD2 1 +ATOM 6313 C CE1 . HIS D 1 48 ? 26.744 -6.319 161.550 1.00 21.93 ? ? ? ? ? ? 47 HIS D CE1 1 +ATOM 6314 N NE2 . HIS D 1 48 ? 27.341 -5.148 161.471 1.00 25.70 ? ? ? ? ? ? 47 HIS D NE2 1 +ATOM 6315 N N . ASP D 1 49 ? 26.123 -8.317 157.529 1.00 20.51 ? ? ? ? ? ? 48 ASP D N 1 +ATOM 6316 C CA . ASP D 1 49 ? 26.395 -9.668 157.971 1.00 21.01 ? ? ? ? ? ? 48 ASP D CA 1 +ATOM 6317 C C . ASP D 1 49 ? 27.367 -10.378 157.069 1.00 20.22 ? ? ? ? ? ? 48 ASP D C 1 +ATOM 6318 O O . ASP D 1 49 ? 28.323 -10.977 157.532 1.00 21.15 ? ? ? ? ? ? 48 ASP D O 1 +ATOM 6319 C CB . ASP D 1 49 ? 25.073 -10.446 158.089 1.00 23.44 ? ? ? ? ? ? 48 ASP D CB 1 +ATOM 6320 C CG . ASP D 1 49 ? 24.214 -9.963 159.254 1.00 23.24 ? ? ? ? ? ? 48 ASP D CG 1 +ATOM 6321 O OD1 . ASP D 1 49 ? 24.516 -8.911 159.868 1.00 31.29 ? ? ? ? ? ? 48 ASP D OD1 1 +ATOM 6322 O OD2 . ASP D 1 49 ? 23.225 -10.631 159.529 1.00 27.17 ? ? ? ? ? ? 48 ASP D OD2 1 +ATOM 6323 N N . ILE D 1 50 ? 27.179 -10.226 155.770 1.00 20.05 ? ? ? ? ? ? 49 ILE D N 1 +ATOM 6324 C CA . ILE D 1 50 ? 28.159 -10.719 154.771 1.00 18.46 ? ? ? ? ? ? 49 ILE D CA 1 +ATOM 6325 C C . ILE D 1 50 ? 29.557 -10.074 154.965 1.00 19.17 ? ? ? ? ? ? 49 ILE D C 1 +ATOM 6326 O O . ILE D 1 50 ? 30.597 -10.759 154.949 1.00 19.84 ? ? ? ? ? ? 49 ILE D O 1 +ATOM 6327 C CB . ILE D 1 50 ? 27.623 -10.448 153.347 1.00 17.82 ? ? ? ? ? ? 49 ILE D CB 1 +ATOM 6328 C CG1 . ILE D 1 50 ? 26.381 -11.313 153.089 1.00 17.58 ? ? ? ? ? ? 49 ILE D CG1 1 +ATOM 6329 C CG2 . ILE D 1 50 ? 28.701 -10.693 152.259 1.00 17.75 ? ? ? ? ? ? 49 ILE D CG2 1 +ATOM 6330 C CD1 . ILE D 1 50 ? 25.804 -11.141 151.698 1.00 16.12 ? ? ? ? ? ? 49 ILE D CD1 1 +ATOM 6331 N N . ALA D 1 51 ? 29.592 -8.763 155.178 1.00 19.65 ? ? ? ? ? ? 50 ALA D N 1 +ATOM 6332 C CA . ALA D 1 51 ? 30.891 -8.078 155.421 1.00 19.45 ? ? ? ? ? ? 50 ALA D CA 1 +ATOM 6333 C C . ALA D 1 51 ? 31.612 -8.584 156.683 1.00 19.14 ? ? ? ? ? ? 50 ALA D C 1 +ATOM 6334 O O . ALA D 1 51 ? 32.856 -8.769 156.686 1.00 19.43 ? ? ? ? ? ? 50 ALA D O 1 +ATOM 6335 C CB . ALA D 1 51 ? 30.723 -6.551 155.478 1.00 15.32 ? ? ? ? ? ? 50 ALA D CB 1 +ATOM 6336 N N . VAL D 1 52 ? 30.851 -8.781 157.754 1.00 19.30 ? ? ? ? ? ? 51 VAL D N 1 +ATOM 6337 C CA . VAL D 1 52 ? 31.438 -9.265 158.992 1.00 20.32 ? ? ? ? ? ? 51 VAL D CA 1 +ATOM 6338 C C . VAL D 1 52 ? 32.034 -10.666 158.757 1.00 20.64 ? ? ? ? ? ? 51 VAL D C 1 +ATOM 6339 O O . VAL D 1 52 ? 33.161 -10.930 159.167 1.00 20.74 ? ? ? ? ? ? 51 VAL D O 1 +ATOM 6340 C CB . VAL D 1 52 ? 30.470 -9.126 160.218 1.00 21.23 ? ? ? ? ? ? 51 VAL D CB 1 +ATOM 6341 C CG1 . VAL D 1 52 ? 31.014 -9.845 161.430 1.00 19.31 ? ? ? ? ? ? 51 VAL D CG1 1 +ATOM 6342 C CG2 . VAL D 1 52 ? 30.234 -7.607 160.566 1.00 15.34 ? ? ? ? ? ? 51 VAL D CG2 1 +ATOM 6343 N N . GLU D 1 53 ? 31.331 -11.520 158.020 1.00 21.41 ? ? ? ? ? ? 52 GLU D N 1 +ATOM 6344 C CA . GLU D 1 53 ? 31.815 -12.901 157.772 1.00 24.19 ? ? ? ? ? ? 52 GLU D CA 1 +ATOM 6345 C C . GLU D 1 53 ? 33.060 -12.924 156.926 1.00 21.32 ? ? ? ? ? ? 52 GLU D C 1 +ATOM 6346 O O . GLU D 1 53 ? 33.991 -13.661 157.200 1.00 22.40 ? ? ? ? ? ? 52 GLU D O 1 +ATOM 6347 C CB . GLU D 1 53 ? 30.749 -13.776 157.111 1.00 25.66 ? ? ? ? ? ? 52 GLU D CB 1 +ATOM 6348 C CG . GLU D 1 53 ? 29.731 -14.372 158.059 1.00 31.60 ? ? ? ? ? ? 52 GLU D CG 1 +ATOM 6349 C CD . GLU D 1 53 ? 29.012 -15.609 157.460 1.00 31.21 ? ? ? ? ? ? 52 GLU D CD 1 +ATOM 6350 O OE1 . GLU D 1 53 ? 28.621 -15.592 156.276 1.00 27.88 ? ? ? ? ? ? 52 GLU D OE1 1 +ATOM 6351 O OE2 . GLU D 1 53 ? 28.813 -16.597 158.203 1.00 54.24 ? ? ? ? ? ? 52 GLU D OE2 1 +ATOM 6352 N N . ALA D 1 54 ? 33.085 -12.066 155.920 1.00 20.97 ? ? ? ? ? ? 53 ALA D N 1 +ATOM 6353 C CA . ALA D 1 54 ? 34.249 -11.924 155.055 1.00 19.49 ? ? ? ? ? ? 53 ALA D CA 1 +ATOM 6354 C C . ALA D 1 54 ? 35.424 -11.340 155.820 1.00 19.67 ? ? ? ? ? ? 53 ALA D C 1 +ATOM 6355 O O . ALA D 1 54 ? 36.528 -11.757 155.597 1.00 19.85 ? ? ? ? ? ? 53 ALA D O 1 +ATOM 6356 C CB . ALA D 1 54 ? 33.902 -11.064 153.806 1.00 18.90 ? ? ? ? ? ? 53 ALA D CB 1 +ATOM 6357 N N . ALA D 1 55 ? 35.162 -10.385 156.727 1.00 20.15 ? ? ? ? ? ? 54 ALA D N 1 +ATOM 6358 C CA . ALA D 1 55 ? 36.197 -9.790 157.585 1.00 20.92 ? ? ? ? ? ? 54 ALA D CA 1 +ATOM 6359 C C . ALA D 1 55 ? 36.810 -10.845 158.536 1.00 20.52 ? ? ? ? ? ? 54 ALA D C 1 +ATOM 6360 O O . ALA D 1 55 ? 38.009 -10.927 158.694 1.00 21.53 ? ? ? ? ? ? 54 ALA D O 1 +ATOM 6361 C CB . ALA D 1 55 ? 35.652 -8.558 158.369 1.00 16.56 ? ? ? ? ? ? 54 ALA D CB 1 +ATOM 6362 N N . GLU D 1 56 ? 35.968 -11.677 159.126 1.00 22.64 ? ? ? ? ? ? 55 GLU D N 1 +ATOM 6363 C CA . GLU D 1 56 ? 36.421 -12.809 159.944 1.00 24.08 ? ? ? ? ? ? 55 GLU D CA 1 +ATOM 6364 C C . GLU D 1 56 ? 37.285 -13.788 159.160 1.00 23.75 ? ? ? ? ? ? 55 GLU D C 1 +ATOM 6365 O O . GLU D 1 56 ? 38.303 -14.241 159.685 1.00 23.67 ? ? ? ? ? ? 55 GLU D O 1 +ATOM 6366 C CB . GLU D 1 56 ? 35.222 -13.551 160.554 1.00 24.08 ? ? ? ? ? ? 55 GLU D CB 1 +ATOM 6367 C CG . GLU D 1 56 ? 34.543 -12.775 161.639 1.00 26.46 ? ? ? ? ? ? 55 GLU D CG 1 +ATOM 6368 C CD . GLU D 1 56 ? 33.163 -13.286 162.042 1.00 27.71 ? ? ? ? ? ? 55 GLU D CD 1 +ATOM 6369 O OE1 . GLU D 1 56 ? 32.544 -14.123 161.336 1.00 35.84 ? ? ? ? ? ? 55 GLU D OE1 1 +ATOM 6370 O OE2 . GLU D 1 56 ? 32.685 -12.785 163.078 1.00 34.88 ? ? ? ? ? ? 55 GLU D OE2 1 +ATOM 6371 N N . LEU D 1 57 ? 36.877 -14.125 157.933 1.00 23.43 ? ? ? ? ? ? 56 LEU D N 1 +ATOM 6372 C CA . LEU D 1 57 ? 37.621 -15.042 157.083 1.00 22.89 ? ? ? ? ? ? 56 LEU D CA 1 +ATOM 6373 C C . LEU D 1 57 ? 38.949 -14.437 156.701 1.00 24.72 ? ? ? ? ? ? 56 LEU D C 1 +ATOM 6374 O O . LEU D 1 57 ? 39.966 -15.078 156.850 1.00 25.42 ? ? ? ? ? ? 56 LEU D O 1 +ATOM 6375 C CB . LEU D 1 57 ? 36.835 -15.406 155.825 1.00 24.29 ? ? ? ? ? ? 56 LEU D CB 1 +ATOM 6376 C CG . LEU D 1 57 ? 37.476 -16.439 154.869 1.00 26.40 ? ? ? ? ? ? 56 LEU D CG 1 +ATOM 6377 C CD1 . LEU D 1 57 ? 37.726 -17.819 155.584 1.00 21.73 ? ? ? ? ? ? 56 LEU D CD1 1 +ATOM 6378 C CD2 . LEU D 1 57 ? 36.610 -16.637 153.657 1.00 20.21 ? ? ? ? ? ? 56 LEU D CD2 1 +ATOM 6379 N N . ALA D 1 58 ? 38.953 -13.187 156.242 1.00 24.25 ? ? ? ? ? ? 57 ALA D N 1 +ATOM 6380 C CA . ALA D 1 58 ? 40.200 -12.517 155.888 1.00 24.17 ? ? ? ? ? ? 57 ALA D CA 1 +ATOM 6381 C C . ALA D 1 58 ? 41.197 -12.527 157.069 1.00 25.09 ? ? ? ? ? ? 57 ALA D C 1 +ATOM 6382 O O . ALA D 1 58 ? 42.402 -12.692 156.870 1.00 25.95 ? ? ? ? ? ? 57 ALA D O 1 +ATOM 6383 C CB . ALA D 1 58 ? 39.922 -11.099 155.411 1.00 21.92 ? ? ? ? ? ? 57 ALA D CB 1 +ATOM 6384 N N . LEU D 1 59 ? 40.690 -12.350 158.289 1.00 25.03 ? ? ? ? ? ? 58 LEU D N 1 +ATOM 6385 C CA . LEU D 1 59 ? 41.556 -12.254 159.459 1.00 25.96 ? ? ? ? ? ? 58 LEU D CA 1 +ATOM 6386 C C . LEU D 1 59 ? 42.106 -13.637 159.836 1.00 26.90 ? ? ? ? ? ? 58 LEU D C 1 +ATOM 6387 O O . LEU D 1 59 ? 43.311 -13.795 160.077 1.00 26.93 ? ? ? ? ? ? 58 LEU D O 1 +ATOM 6388 C CB . LEU D 1 59 ? 40.805 -11.619 160.631 1.00 26.15 ? ? ? ? ? ? 58 LEU D CB 1 +ATOM 6389 C CG . LEU D 1 59 ? 41.506 -11.490 161.995 1.00 26.54 ? ? ? ? ? ? 58 LEU D CG 1 +ATOM 6390 C CD1 . LEU D 1 59 ? 42.758 -10.590 161.948 1.00 23.75 ? ? ? ? ? ? 58 LEU D CD1 1 +ATOM 6391 C CD2 . LEU D 1 59 ? 40.491 -10.990 163.009 1.00 26.05 ? ? ? ? ? ? 58 LEU D CD2 1 +ATOM 6392 N N . SER D 1 60 ? 41.226 -14.626 159.856 1.00 27.60 ? ? ? ? ? ? 59 SER D N 1 +ATOM 6393 C CA . SER D 1 60 ? 41.629 -15.979 160.226 1.00 31.46 ? ? ? ? ? ? 59 SER D CA 1 +ATOM 6394 C C . SER D 1 60 ? 42.570 -16.602 159.200 1.00 31.99 ? ? ? ? ? ? 59 SER D C 1 +ATOM 6395 O O . SER D 1 60 ? 43.498 -17.274 159.562 1.00 33.92 ? ? ? ? ? ? 59 SER D O 1 +ATOM 6396 C CB . SER D 1 60 ? 40.429 -16.896 160.474 1.00 28.66 ? ? ? ? ? ? 59 SER D CB 1 +ATOM 6397 O OG . SER D 1 60 ? 39.767 -17.205 159.285 1.00 39.43 ? ? ? ? ? ? 59 SER D OG 1 +ATOM 6398 N N . ARG D 1 61 ? 42.309 -16.344 157.931 1.00 31.88 ? ? ? ? ? ? 60 ARG D N 1 +ATOM 6399 C CA . ARG D 1 61 ? 43.042 -16.921 156.822 1.00 32.17 ? ? ? ? ? ? 60 ARG D CA 1 +ATOM 6400 C C . ARG D 1 61 ? 44.369 -16.205 156.499 1.00 31.86 ? ? ? ? ? ? 60 ARG D C 1 +ATOM 6401 O O . ARG D 1 61 ? 45.332 -16.862 156.115 1.00 32.90 ? ? ? ? ? ? 60 ARG D O 1 +ATOM 6402 C CB . ARG D 1 61 ? 42.117 -16.879 155.599 1.00 31.66 ? ? ? ? ? ? 60 ARG D CB 1 +ATOM 6403 C CG . ARG D 1 61 ? 42.723 -17.209 154.275 1.00 36.28 ? ? ? ? ? ? 60 ARG D CG 1 +ATOM 6404 C CD . ARG D 1 61 ? 41.650 -17.479 153.230 1.00 35.61 ? ? ? ? ? ? 60 ARG D CD 1 +ATOM 6405 N NE . ARG D 1 61 ? 41.231 -16.297 152.479 1.00 33.28 ? ? ? ? ? ? 60 ARG D NE 1 +ATOM 6406 C CZ . ARG D 1 61 ? 40.325 -16.327 151.509 1.00 33.59 ? ? ? ? ? ? 60 ARG D CZ 1 +ATOM 6407 N NH1 . ARG D 1 61 ? 39.695 -17.456 151.212 1.00 34.75 ? ? ? ? ? ? 60 ARG D NH1 1 +ATOM 6408 N NH2 . ARG D 1 61 ? 40.005 -15.220 150.858 1.00 37.59 ? ? ? ? ? ? 60 ARG D NH2 1 +ATOM 6409 N N . SER D 1 62 ? 44.411 -14.871 156.609 1.00 30.79 ? ? ? ? ? ? 61 SER D N 1 +ATOM 6410 C CA A SER D 1 62 ? 45.585 -14.091 156.194 0.50 28.83 ? ? ? ? ? ? 61 SER D CA 1 +ATOM 6411 C CA B SER D 1 62 ? 45.585 -14.093 156.196 0.50 30.40 ? ? ? ? ? ? 61 SER D CA 1 +ATOM 6412 C C . SER D 1 62 ? 46.119 -13.122 157.248 1.00 29.36 ? ? ? ? ? ? 61 SER D C 1 +ATOM 6413 O O . SER D 1 62 ? 47.148 -12.493 157.036 1.00 29.10 ? ? ? ? ? ? 61 SER D O 1 +ATOM 6414 C CB A SER D 1 62 ? 45.268 -13.297 154.924 0.50 29.44 ? ? ? ? ? ? 61 SER D CB 1 +ATOM 6415 C CB B SER D 1 62 ? 45.253 -13.296 154.939 0.50 31.27 ? ? ? ? ? ? 61 SER D CB 1 +ATOM 6416 O OG A SER D 1 62 ? 44.804 -14.139 153.887 0.50 21.27 ? ? ? ? ? ? 61 SER D OG 1 +ATOM 6417 O OG B SER D 1 62 ? 44.284 -12.304 155.230 0.50 34.88 ? ? ? ? ? ? 61 SER D OG 1 +ATOM 6418 N N . GLY D 1 63 ? 45.427 -12.980 158.376 1.00 28.44 ? ? ? ? ? ? 62 GLY D N 1 +ATOM 6419 C CA . GLY D 1 63 ? 45.806 -11.976 159.358 1.00 28.20 ? ? ? ? ? ? 62 GLY D CA 1 +ATOM 6420 C C . GLY D 1 63 ? 45.505 -10.543 158.939 1.00 28.17 ? ? ? ? ? ? 62 GLY D C 1 +ATOM 6421 O O . GLY D 1 63 ? 46.004 -9.604 159.560 1.00 29.74 ? ? ? ? ? ? 62 GLY D O 1 +ATOM 6422 N N . VAL D 1 64 ? 44.722 -10.371 157.874 1.00 27.60 ? ? ? ? ? ? 63 VAL D N 1 +ATOM 6423 C CA . VAL D 1 64 ? 44.328 -9.057 157.401 1.00 25.88 ? ? ? ? ? ? 63 VAL D CA 1 +ATOM 6424 C C . VAL D 1 64 ? 43.101 -8.638 158.226 1.00 24.86 ? ? ? ? ? ? 63 VAL D C 1 +ATOM 6425 O O . VAL D 1 64 ? 42.114 -9.369 158.306 1.00 23.76 ? ? ? ? ? ? 63 VAL D O 1 +ATOM 6426 C CB . VAL D 1 64 ? 44.037 -9.041 155.870 1.00 27.12 ? ? ? ? ? ? 63 VAL D CB 1 +ATOM 6427 C CG1 . VAL D 1 64 ? 43.347 -7.716 155.470 1.00 21.74 ? ? ? ? ? ? 63 VAL D CG1 1 +ATOM 6428 C CG2 . VAL D 1 64 ? 45.337 -9.214 155.073 1.00 23.60 ? ? ? ? ? ? 63 VAL D CG2 1 +ATOM 6429 N N . ARG D 1 65 ? 43.207 -7.483 158.878 1.00 24.15 ? ? ? ? ? ? 64 ARG D N 1 +ATOM 6430 C CA . ARG D 1 65 ? 42.158 -6.997 159.777 1.00 23.65 ? ? ? ? ? ? 64 ARG D CA 1 +ATOM 6431 C C . ARG D 1 65 ? 41.344 -5.841 159.194 1.00 22.88 ? ? ? ? ? ? 64 ARG D C 1 +ATOM 6432 O O . ARG D 1 65 ? 41.880 -4.791 158.906 1.00 22.64 ? ? ? ? ? ? 64 ARG D O 1 +ATOM 6433 C CB . ARG D 1 65 ? 42.738 -6.582 161.133 1.00 23.99 ? ? ? ? ? ? 64 ARG D CB 1 +ATOM 6434 C CG . ARG D 1 65 ? 41.641 -6.395 162.179 1.00 24.46 ? ? ? ? ? ? 64 ARG D CG 1 +ATOM 6435 C CD . ARG D 1 65 ? 42.159 -5.991 163.517 1.00 25.85 ? ? ? ? ? ? 64 ARG D CD 1 +ATOM 6436 N NE . ARG D 1 65 ? 42.870 -7.073 164.198 1.00 26.81 ? ? ? ? ? ? 64 ARG D NE 1 +ATOM 6437 C CZ . ARG D 1 65 ? 44.191 -7.135 164.383 1.00 25.82 ? ? ? ? ? ? 64 ARG D CZ 1 +ATOM 6438 N NH1 . ARG D 1 65 ? 44.997 -6.200 163.941 1.00 28.47 ? ? ? ? ? ? 64 ARG D NH1 1 +ATOM 6439 N NH2 . ARG D 1 65 ? 44.709 -8.169 165.008 1.00 30.23 ? ? ? ? ? ? 64 ARG D NH2 1 +ATOM 6440 N N . CYS D 1 66 ? 40.037 -6.045 159.055 1.00 22.91 ? ? ? ? ? ? 65 CYS D N 1 +ATOM 6441 C CA . CYS D 1 66 ? 39.135 -5.040 158.515 1.00 23.24 ? ? ? ? ? ? 65 CYS D CA 1 +ATOM 6442 C C . CYS D 1 66 ? 38.040 -4.682 159.532 1.00 22.96 ? ? ? ? ? ? 65 CYS D C 1 +ATOM 6443 O O . CYS D 1 66 ? 37.578 -5.542 160.288 1.00 23.87 ? ? ? ? ? ? 65 CYS D O 1 +ATOM 6444 C CB . CYS D 1 66 ? 38.473 -5.573 157.241 1.00 24.63 ? ? ? ? ? ? 65 CYS D CB 1 +ATOM 6445 S SG . CYS D 1 66 ? 39.666 -6.177 155.983 1.00 25.57 ? ? ? ? ? ? 65 CYS D SG 1 +ATOM 6446 N N . MSE D 1 67 ? 37.625 -3.416 159.532 1.00 21.02 ? ? ? ? ? ? 66 MSE D N 1 +ATOM 6447 C CA . MSE D 1 67 ? 36.511 -2.962 160.380 1.00 18.86 ? ? ? ? ? ? 66 MSE D CA 1 +ATOM 6448 C C . MSE D 1 67 ? 35.244 -2.749 159.553 1.00 18.62 ? ? ? ? ? ? 66 MSE D C 1 +ATOM 6449 O O . MSE D 1 67 ? 35.238 -1.959 158.625 1.00 17.92 ? ? ? ? ? ? 66 MSE D O 1 +ATOM 6450 C CB . MSE D 1 67 ? 36.873 -1.647 161.092 1.00 18.78 ? ? ? ? ? ? 66 MSE D CB 1 +ATOM 6451 C CG . MSE D 1 67 ? 35.769 -1.072 161.937 1.00 16.02 ? ? ? ? ? ? 66 MSE D CG 1 +ATOM 6452 SE SE . MSE D 1 67 ? 35.166 -2.397 163.275 0.75 22.13 ? ? ? ? ? ? 66 MSE D SE 1 +ATOM 6453 C CE . MSE D 1 67 ? 36.441 -2.067 164.663 1.00 15.01 ? ? ? ? ? ? 66 MSE D CE 1 +ATOM 6454 N N . VAL D 1 68 ? 34.156 -3.414 159.950 1.00 18.78 ? ? ? ? ? ? 67 VAL D N 1 +ATOM 6455 C CA . VAL D 1 68 ? 32.863 -3.176 159.338 1.00 17.63 ? ? ? ? ? ? 67 VAL D CA 1 +ATOM 6456 C C . VAL D 1 68 ? 32.134 -2.073 160.072 1.00 18.75 ? ? ? ? ? ? 67 VAL D C 1 +ATOM 6457 O O . VAL D 1 68 ? 31.727 -2.252 161.221 1.00 18.72 ? ? ? ? ? ? 67 VAL D O 1 +ATOM 6458 C CB . VAL D 1 68 ? 32.031 -4.450 159.293 1.00 16.47 ? ? ? ? ? ? 67 VAL D CB 1 +ATOM 6459 C CG1 . VAL D 1 68 ? 30.723 -4.199 158.610 1.00 16.11 ? ? ? ? ? ? 67 VAL D CG1 1 +ATOM 6460 C CG2 . VAL D 1 68 ? 32.824 -5.550 158.624 1.00 15.28 ? ? ? ? ? ? 67 VAL D CG2 1 +ATOM 6461 N N . MSE D 1 69 ? 31.954 -0.935 159.398 1.00 18.05 ? ? ? ? ? ? 68 MSE D N 1 +ATOM 6462 C CA . MSE D 1 69 ? 31.295 0.236 159.968 1.00 18.18 ? ? ? ? ? ? 68 MSE D CA 1 +ATOM 6463 C C . MSE D 1 69 ? 29.812 -0.008 160.136 1.00 18.76 ? ? ? ? ? ? 68 MSE D C 1 +ATOM 6464 O O . MSE D 1 69 ? 29.273 -0.934 159.568 1.00 19.24 ? ? ? ? ? ? 68 MSE D O 1 +ATOM 6465 C CB . MSE D 1 69 ? 31.525 1.469 159.060 1.00 19.29 ? ? ? ? ? ? 68 MSE D CB 1 +ATOM 6466 C CG . MSE D 1 69 ? 32.991 1.895 158.894 1.00 19.07 ? ? ? ? ? ? 68 MSE D CG 1 +ATOM 6467 SE SE . MSE D 1 69 ? 33.867 2.409 160.571 0.75 20.34 ? ? ? ? ? ? 68 MSE D SE 1 +ATOM 6468 C CE . MSE D 1 69 ? 32.741 4.059 161.003 1.00 20.46 ? ? ? ? ? ? 68 MSE D CE 1 +ATOM 6469 N N . PRO D 1 70 ? 29.132 0.807 160.952 1.00 19.91 ? ? ? ? ? ? 69 PRO D N 1 +ATOM 6470 C CA . PRO D 1 70 ? 27.666 0.658 160.987 1.00 21.35 ? ? ? ? ? ? 69 PRO D CA 1 +ATOM 6471 C C . PRO D 1 70 ? 27.030 0.927 159.625 1.00 21.96 ? ? ? ? ? ? 69 PRO D C 1 +ATOM 6472 O O . PRO D 1 70 ? 27.514 1.770 158.885 1.00 21.15 ? ? ? ? ? ? 69 PRO D O 1 +ATOM 6473 C CB . PRO D 1 70 ? 27.212 1.726 161.982 1.00 21.88 ? ? ? ? ? ? 69 PRO D CB 1 +ATOM 6474 C CG . PRO D 1 70 ? 28.431 2.013 162.840 1.00 21.52 ? ? ? ? ? ? 69 PRO D CG 1 +ATOM 6475 C CD . PRO D 1 70 ? 29.596 1.877 161.854 1.00 19.37 ? ? ? ? ? ? 69 PRO D CD 1 +ATOM 6476 N N . PRO D 1 71 ? 25.971 0.185 159.269 1.00 22.50 ? ? ? ? ? ? 70 PRO D N 1 +ATOM 6477 C CA . PRO D 1 71 ? 25.372 0.389 157.958 1.00 21.87 ? ? ? ? ? ? 70 PRO D CA 1 +ATOM 6478 C C . PRO D 1 71 ? 24.711 1.758 157.807 1.00 21.52 ? ? ? ? ? ? 70 PRO D C 1 +ATOM 6479 O O . PRO D 1 71 ? 24.222 2.309 158.786 1.00 22.86 ? ? ? ? ? ? 70 PRO D O 1 +ATOM 6480 C CB . PRO D 1 71 ? 24.327 -0.738 157.885 1.00 21.70 ? ? ? ? ? ? 70 PRO D CB 1 +ATOM 6481 C CG . PRO D 1 71 ? 24.764 -1.701 158.820 1.00 22.36 ? ? ? ? ? ? 70 PRO D CG 1 +ATOM 6482 C CD . PRO D 1 71 ? 25.325 -0.929 159.971 1.00 20.63 ? ? ? ? ? ? 70 PRO D CD 1 +ATOM 6483 N N . VAL D 1 72 ? 24.741 2.305 156.596 1.00 20.70 ? ? ? ? ? ? 71 VAL D N 1 +ATOM 6484 C CA . VAL D 1 72 ? 24.111 3.583 156.307 1.00 18.34 ? ? ? ? ? ? 71 VAL D CA 1 +ATOM 6485 C C . VAL D 1 72 ? 22.722 3.303 155.790 1.00 17.46 ? ? ? ? ? ? 71 VAL D C 1 +ATOM 6486 O O . VAL D 1 72 ? 22.577 2.642 154.775 1.00 17.40 ? ? ? ? ? ? 71 VAL D O 1 +ATOM 6487 C CB . VAL D 1 72 ? 24.897 4.433 155.278 1.00 20.56 ? ? ? ? ? ? 71 VAL D CB 1 +ATOM 6488 C CG1 . VAL D 1 72 ? 24.240 5.807 155.155 1.00 13.31 ? ? ? ? ? ? 71 VAL D CG1 1 +ATOM 6489 C CG2 . VAL D 1 72 ? 26.362 4.575 155.695 1.00 16.84 ? ? ? ? ? ? 71 VAL D CG2 1 +ATOM 6490 N N . PRO D 1 73 ? 21.687 3.728 156.525 1.00 16.69 ? ? ? ? ? ? 72 PRO D N 1 +ATOM 6491 C CA . PRO D 1 73 ? 20.324 3.341 156.135 1.00 17.66 ? ? ? ? ? ? 72 PRO D CA 1 +ATOM 6492 C C . PRO D 1 73 ? 19.634 4.247 155.108 1.00 18.04 ? ? ? ? ? ? 72 PRO D C 1 +ATOM 6493 O O . PRO D 1 73 ? 18.414 4.224 155.021 1.00 21.80 ? ? ? ? ? ? 72 PRO D O 1 +ATOM 6494 C CB . PRO D 1 73 ? 19.578 3.371 157.484 1.00 19.83 ? ? ? ? ? ? 72 PRO D CB 1 +ATOM 6495 C CG . PRO D 1 73 ? 20.286 4.482 158.277 1.00 20.63 ? ? ? ? ? ? 72 PRO D CG 1 +ATOM 6496 C CD . PRO D 1 73 ? 21.721 4.495 157.786 1.00 18.14 ? ? ? ? ? ? 72 PRO D CD 1 +ATOM 6497 N N . PHE D 1 74 ? 20.400 5.019 154.346 1.00 17.57 ? ? ? ? ? ? 73 PHE D N 1 +ATOM 6498 C CA . PHE D 1 74 ? 19.876 6.087 153.469 1.00 17.21 ? ? ? ? ? ? 73 PHE D CA 1 +ATOM 6499 C C . PHE D 1 74 ? 20.080 5.758 151.989 1.00 17.69 ? ? ? ? ? ? 73 PHE D C 1 +ATOM 6500 O O . PHE D 1 74 ? 21.171 5.985 151.434 1.00 17.93 ? ? ? ? ? ? 73 PHE D O 1 +ATOM 6501 C CB . PHE D 1 74 ? 20.517 7.433 153.821 1.00 17.87 ? ? ? ? ? ? 73 PHE D CB 1 +ATOM 6502 C CG . PHE D 1 74 ? 20.196 7.874 155.190 1.00 19.92 ? ? ? ? ? ? 73 PHE D CG 1 +ATOM 6503 C CD1 . PHE D 1 74 ? 18.873 8.185 155.537 1.00 22.04 ? ? ? ? ? ? 73 PHE D CD1 1 +ATOM 6504 C CD2 . PHE D 1 74 ? 21.172 7.940 156.162 1.00 17.62 ? ? ? ? ? ? 73 PHE D CD2 1 +ATOM 6505 C CE1 . PHE D 1 74 ? 18.557 8.559 156.832 1.00 22.32 ? ? ? ? ? ? 73 PHE D CE1 1 +ATOM 6506 C CE2 . PHE D 1 74 ? 20.857 8.327 157.445 1.00 20.55 ? ? ? ? ? ? 73 PHE D CE2 1 +ATOM 6507 C CZ . PHE D 1 74 ? 19.542 8.619 157.790 1.00 18.58 ? ? ? ? ? ? 73 PHE D CZ 1 +ATOM 6508 N N . GLY D 1 75 ? 19.013 5.216 151.387 1.00 17.95 ? ? ? ? ? ? 74 GLY D N 1 +ATOM 6509 C CA . GLY D 1 75 ? 18.996 4.751 150.013 1.00 17.53 ? ? ? ? ? ? 74 GLY D CA 1 +ATOM 6510 C C . GLY D 1 75 ? 18.295 5.738 149.079 1.00 17.20 ? ? ? ? ? ? 74 GLY D C 1 +ATOM 6511 O O . GLY D 1 75 ? 17.526 6.572 149.524 1.00 16.38 ? ? ? ? ? ? 74 GLY D O 1 +ATOM 6512 N N . ALA D 1 76 ? 18.615 5.635 147.793 1.00 16.53 ? ? ? ? ? ? 75 ALA D N 1 +ATOM 6513 C CA . ALA D 1 76 ? 17.959 6.361 146.713 1.00 16.98 ? ? ? ? ? ? 75 ALA D CA 1 +ATOM 6514 C C . ALA D 1 76 ? 16.863 5.495 146.146 1.00 18.05 ? ? ? ? ? ? 75 ALA D C 1 +ATOM 6515 O O . ALA D 1 76 ? 17.131 4.372 145.716 1.00 19.52 ? ? ? ? ? ? 75 ALA D O 1 +ATOM 6516 C CB . ALA D 1 76 ? 18.990 6.680 145.593 1.00 16.14 ? ? ? ? ? ? 75 ALA D CB 1 +ATOM 6517 N N . HIS D 1 77 ? 15.646 6.040 146.084 1.00 19.27 ? ? ? ? ? ? 76 HIS D N 1 +ATOM 6518 C CA . HIS D 1 77 ? 14.455 5.296 145.713 1.00 19.30 ? ? ? ? ? ? 76 HIS D CA 1 +ATOM 6519 C C . HIS D 1 77 ? 13.715 5.831 144.460 1.00 20.71 ? ? ? ? ? ? 76 HIS D C 1 +ATOM 6520 O O . HIS D 1 77 ? 14.122 6.818 143.848 1.00 20.08 ? ? ? ? ? ? 76 HIS D O 1 +ATOM 6521 C CB . HIS D 1 77 ? 13.563 5.113 146.956 1.00 20.16 ? ? ? ? ? ? 76 HIS D CB 1 +ATOM 6522 C CG . HIS D 1 77 ? 14.234 4.287 148.020 1.00 19.19 ? ? ? ? ? ? 76 HIS D CG 1 +ATOM 6523 N ND1 . HIS D 1 77 ? 14.561 2.968 147.825 1.00 19.61 ? ? ? ? ? ? 76 HIS D ND1 1 +ATOM 6524 C CD2 . HIS D 1 77 ? 14.780 4.630 149.209 1.00 20.67 ? ? ? ? ? ? 76 HIS D CD2 1 +ATOM 6525 C CE1 . HIS D 1 77 ? 15.210 2.509 148.879 1.00 22.74 ? ? ? ? ? ? 76 HIS D CE1 1 +ATOM 6526 N NE2 . HIS D 1 77 ? 15.363 3.502 149.731 1.00 20.61 ? ? ? ? ? ? 76 HIS D NE2 1 +ATOM 6527 N N . ASN D 1 78 ? 12.700 5.094 144.039 1.00 20.51 ? ? ? ? ? ? 77 ASN D N 1 +ATOM 6528 C CA . ASN D 1 78 ? 12.050 5.283 142.735 1.00 21.11 ? ? ? ? ? ? 77 ASN D CA 1 +ATOM 6529 C C . ASN D 1 78 ? 10.713 5.955 142.955 1.00 21.87 ? ? ? ? ? ? 77 ASN D C 1 +ATOM 6530 O O . ASN D 1 78 ? 10.204 5.957 144.081 1.00 22.52 ? ? ? ? ? ? 77 ASN D O 1 +ATOM 6531 C CB . ASN D 1 78 ? 11.786 3.924 142.042 1.00 19.47 ? ? ? ? ? ? 77 ASN D CB 1 +ATOM 6532 C CG . ASN D 1 78 ? 13.030 3.323 141.370 1.00 24.17 ? ? ? ? ? ? 77 ASN D CG 1 +ATOM 6533 O OD1 . ASN D 1 78 ? 14.160 3.608 141.744 1.00 24.32 ? ? ? ? ? ? 77 ASN D OD1 1 +ATOM 6534 N ND2 . ASN D 1 78 ? 12.803 2.491 140.360 1.00 19.78 ? ? ? ? ? ? 77 ASN D ND2 1 +ATOM 6535 N N . PRO D 1 79 ? 10.119 6.514 141.883 1.00 23.13 ? ? ? ? ? ? 78 PRO D N 1 +ATOM 6536 C CA . PRO D 1 79 ? 8.766 6.997 142.075 1.00 22.91 ? ? ? ? ? ? 78 PRO D CA 1 +ATOM 6537 C C . PRO D 1 79 ? 7.824 5.850 142.527 1.00 23.00 ? ? ? ? ? ? 78 PRO D C 1 +ATOM 6538 O O . PRO D 1 79 ? 7.999 4.690 142.142 1.00 22.49 ? ? ? ? ? ? 78 PRO D O 1 +ATOM 6539 C CB . PRO D 1 79 ? 8.405 7.609 140.708 1.00 23.20 ? ? ? ? ? ? 78 PRO D CB 1 +ATOM 6540 C CG . PRO D 1 79 ? 9.715 7.829 140.000 1.00 21.43 ? ? ? ? ? ? 78 PRO D CG 1 +ATOM 6541 C CD . PRO D 1 79 ? 10.604 6.741 140.501 1.00 23.44 ? ? ? ? ? ? 78 PRO D CD 1 +ATOM 6542 N N . GLY D 1 80 ? 6.890 6.192 143.401 1.00 21.99 ? ? ? ? ? ? 79 GLY D N 1 +ATOM 6543 C CA . GLY D 1 80 ? 5.986 5.220 144.022 1.00 23.54 ? ? ? ? ? ? 79 GLY D CA 1 +ATOM 6544 C C . GLY D 1 80 ? 6.449 4.631 145.342 1.00 23.60 ? ? ? ? ? ? 79 GLY D C 1 +ATOM 6545 O O . GLY D 1 80 ? 5.632 4.129 146.106 1.00 25.66 ? ? ? ? ? ? 79 GLY D O 1 +ATOM 6546 N N . GLN D 1 81 ? 7.758 4.690 145.608 1.00 23.24 ? ? ? ? ? ? 80 GLN D N 1 +ATOM 6547 C CA . GLN D 1 81 ? 8.315 4.103 146.816 1.00 23.68 ? ? ? ? ? ? 80 GLN D CA 1 +ATOM 6548 C C . GLN D 1 81 ? 8.217 5.077 147.967 1.00 24.47 ? ? ? ? ? ? 80 GLN D C 1 +ATOM 6549 O O . GLN D 1 81 ? 7.982 4.669 149.099 1.00 24.67 ? ? ? ? ? ? 80 GLN D O 1 +ATOM 6550 C CB . GLN D 1 81 ? 9.772 3.701 146.642 1.00 23.33 ? ? ? ? ? ? 80 GLN D CB 1 +ATOM 6551 C CG . GLN D 1 81 ? 9.991 2.602 145.628 1.00 24.53 ? ? ? ? ? ? 80 GLN D CG 1 +ATOM 6552 C CD . GLN D 1 81 ? 11.303 1.924 145.802 1.00 24.63 ? ? ? ? ? ? 80 GLN D CD 1 +ATOM 6553 O OE1 . GLN D 1 81 ? 12.328 2.382 145.290 1.00 26.01 ? ? ? ? ? ? 80 GLN D OE1 1 +ATOM 6554 N NE2 . GLN D 1 81 ? 11.299 0.812 146.541 1.00 23.66 ? ? ? ? ? ? 80 GLN D NE2 1 +ATOM 6555 N N . ARG D 1 82 ? 8.374 6.363 147.675 1.00 24.49 ? ? ? ? ? ? 81 ARG D N 1 +ATOM 6556 C CA . ARG D 1 82 ? 8.410 7.397 148.712 1.00 26.50 ? ? ? ? ? ? 81 ARG D CA 1 +ATOM 6557 C C . ARG D 1 82 ? 7.065 7.508 149.472 1.00 26.27 ? ? ? ? ? ? 81 ARG D C 1 +ATOM 6558 O O . ARG D 1 82 ? 7.028 7.909 150.626 1.00 27.04 ? ? ? ? ? ? 81 ARG D O 1 +ATOM 6559 C CB . ARG D 1 82 ? 8.767 8.741 148.081 1.00 26.77 ? ? ? ? ? ? 81 ARG D CB 1 +ATOM 6560 C CG . ARG D 1 82 ? 9.156 9.796 149.077 1.00 29.29 ? ? ? ? ? ? 81 ARG D CG 1 +ATOM 6561 C CD . ARG D 1 82 ? 9.707 11.046 148.385 1.00 28.37 ? ? ? ? ? ? 81 ARG D CD 1 +ATOM 6562 N NE . ARG D 1 82 ? 8.672 11.661 147.552 1.00 36.65 ? ? ? ? ? ? 81 ARG D NE 1 +ATOM 6563 C CZ . ARG D 1 82 ? 8.670 12.930 147.150 1.00 35.52 ? ? ? ? ? ? 81 ARG D CZ 1 +ATOM 6564 N NH1 . ARG D 1 82 ? 9.634 13.742 147.514 1.00 32.56 ? ? ? ? ? ? 81 ARG D NH1 1 +ATOM 6565 N NH2 . ARG D 1 82 ? 7.687 13.397 146.389 1.00 36.61 ? ? ? ? ? ? 81 ARG D NH2 1 +ATOM 6566 N N . GLU D 1 83 ? 5.985 7.142 148.793 1.00 26.75 ? ? ? ? ? ? 82 GLU D N 1 +ATOM 6567 C CA . GLU D 1 83 ? 4.643 7.236 149.329 1.00 29.80 ? ? ? ? ? ? 82 GLU D CA 1 +ATOM 6568 C C . GLU D 1 83 ? 4.282 6.036 150.240 1.00 26.83 ? ? ? ? ? ? 82 GLU D C 1 +ATOM 6569 O O . GLU D 1 83 ? 3.311 6.093 150.999 1.00 26.01 ? ? ? ? ? ? 82 GLU D O 1 +ATOM 6570 C CB . GLU D 1 83 ? 3.643 7.423 148.169 1.00 29.97 ? ? ? ? ? ? 82 GLU D CB 1 +ATOM 6571 C CG . GLU D 1 83 ? 3.503 6.244 147.155 1.00 38.58 ? ? ? ? ? ? 82 GLU D CG 1 +ATOM 6572 C CD . GLU D 1 83 ? 2.667 6.605 145.868 1.00 41.38 ? ? ? ? ? ? 82 GLU D CD 1 +ATOM 6573 O OE1 . GLU D 1 83 ? 3.178 7.355 144.980 1.00 54.08 ? ? ? ? ? ? 82 GLU D OE1 1 +ATOM 6574 O OE2 . GLU D 1 83 ? 1.495 6.142 145.754 1.00 50.61 ? ? ? ? ? ? 82 GLU D OE2 1 +ATOM 6575 N N . LEU D 1 84 ? 5.082 4.967 150.174 1.00 25.18 ? ? ? ? ? ? 83 LEU D N 1 +ATOM 6576 C CA . LEU D 1 84 ? 4.914 3.799 151.043 1.00 24.24 ? ? ? ? ? ? 83 LEU D CA 1 +ATOM 6577 C C . LEU D 1 84 ? 5.384 4.187 152.445 1.00 23.50 ? ? ? ? ? ? 83 LEU D C 1 +ATOM 6578 O O . LEU D 1 84 ? 6.406 4.858 152.572 1.00 21.58 ? ? ? ? ? ? 83 LEU D O 1 +ATOM 6579 C CB . LEU D 1 84 ? 5.714 2.607 150.519 1.00 24.35 ? ? ? ? ? ? 83 LEU D CB 1 +ATOM 6580 C CG . LEU D 1 84 ? 5.255 1.950 149.196 1.00 27.60 ? ? ? ? ? ? 83 LEU D CG 1 +ATOM 6581 C CD1 . LEU D 1 84 ? 6.279 0.908 148.760 1.00 23.08 ? ? ? ? ? ? 83 LEU D CD1 1 +ATOM 6582 C CD2 . LEU D 1 84 ? 3.832 1.363 149.270 1.00 25.65 ? ? ? ? ? ? 83 LEU D CD2 1 +ATOM 6583 N N . PRO D 1 85 ? 4.647 3.774 153.496 1.00 23.01 ? ? ? ? ? ? 84 PRO D N 1 +ATOM 6584 C CA . PRO D 1 85 ? 4.999 4.216 154.830 1.00 22.73 ? ? ? ? ? ? 84 PRO D CA 1 +ATOM 6585 C C . PRO D 1 85 ? 6.429 3.856 155.236 1.00 21.23 ? ? ? ? ? ? 84 PRO D C 1 +ATOM 6586 O O . PRO D 1 85 ? 6.873 2.735 155.069 1.00 20.78 ? ? ? ? ? ? 84 PRO D O 1 +ATOM 6587 C CB . PRO D 1 85 ? 3.975 3.507 155.714 1.00 22.04 ? ? ? ? ? ? 84 PRO D CB 1 +ATOM 6588 C CG . PRO D 1 85 ? 3.505 2.403 154.932 1.00 24.54 ? ? ? ? ? ? 84 PRO D CG 1 +ATOM 6589 C CD . PRO D 1 85 ? 3.503 2.867 153.538 1.00 24.75 ? ? ? ? ? ? 84 PRO D CD 1 +ATOM 6590 N N . PHE D 1 86 ? 7.117 4.853 155.756 1.00 21.14 ? ? ? ? ? ? 85 PHE D N 1 +ATOM 6591 C CA . PHE D 1 86 ? 8.441 4.734 156.338 1.00 20.92 ? ? ? ? ? ? 85 PHE D CA 1 +ATOM 6592 C C . PHE D 1 86 ? 9.576 4.431 155.339 1.00 20.77 ? ? ? ? ? ? 85 PHE D C 1 +ATOM 6593 O O . PHE D 1 86 ? 10.658 4.071 155.766 1.00 22.04 ? ? ? ? ? ? 85 PHE D O 1 +ATOM 6594 C CB . PHE D 1 86 ? 8.431 3.700 157.483 1.00 21.67 ? ? ? ? ? ? 85 PHE D CB 1 +ATOM 6595 C CG . PHE D 1 86 ? 7.214 3.779 158.356 1.00 20.51 ? ? ? ? ? ? 85 PHE D CG 1 +ATOM 6596 C CD1 . PHE D 1 86 ? 6.895 4.958 159.010 1.00 22.62 ? ? ? ? ? ? 85 PHE D CD1 1 +ATOM 6597 C CD2 . PHE D 1 86 ? 6.383 2.680 158.527 1.00 21.34 ? ? ? ? ? ? 85 PHE D CD2 1 +ATOM 6598 C CE1 . PHE D 1 86 ? 5.778 5.032 159.818 1.00 18.66 ? ? ? ? ? ? 85 PHE D CE1 1 +ATOM 6599 C CE2 . PHE D 1 86 ? 5.248 2.772 159.313 1.00 22.87 ? ? ? ? ? ? 85 PHE D CE2 1 +ATOM 6600 C CZ . PHE D 1 86 ? 4.963 3.946 159.971 1.00 20.15 ? ? ? ? ? ? 85 PHE D CZ 1 +ATOM 6601 N N . CYS D 1 87 ? 9.312 4.556 154.043 1.00 20.50 ? ? ? ? ? ? 86 CYS D N 1 +ATOM 6602 C CA . CYS D 1 87 ? 10.342 4.533 153.026 1.00 21.18 ? ? ? ? ? ? 86 CYS D CA 1 +ATOM 6603 C C . CYS D 1 87 ? 10.979 5.924 152.918 1.00 21.28 ? ? ? ? ? ? 86 CYS D C 1 +ATOM 6604 O O . CYS D 1 87 ? 10.312 6.935 152.717 1.00 22.83 ? ? ? ? ? ? 86 CYS D O 1 +ATOM 6605 C CB . CYS D 1 87 ? 9.756 4.137 151.657 1.00 22.46 ? ? ? ? ? ? 86 CYS D CB 1 +ATOM 6606 S SG . CYS D 1 87 ? 10.987 4.030 150.334 1.00 22.15 ? ? ? ? ? ? 86 CYS D SG 1 +ATOM 6607 N N . ILE D 1 88 ? 12.290 5.965 153.059 1.00 19.50 ? ? ? ? ? ? 87 ILE D N 1 +ATOM 6608 C CA . ILE D 1 88 ? 13.014 7.211 153.105 1.00 19.60 ? ? ? ? ? ? 87 ILE D CA 1 +ATOM 6609 C C . ILE D 1 88 ? 13.894 7.345 151.873 1.00 18.60 ? ? ? ? ? ? 87 ILE D C 1 +ATOM 6610 O O . ILE D 1 88 ? 14.905 6.670 151.747 1.00 18.75 ? ? ? ? ? ? 87 ILE D O 1 +ATOM 6611 C CB . ILE D 1 88 ? 13.915 7.283 154.349 1.00 19.23 ? ? ? ? ? ? 87 ILE D CB 1 +ATOM 6612 C CG1 . ILE D 1 88 ? 13.083 7.136 155.633 1.00 21.41 ? ? ? ? ? ? 87 ILE D CG1 1 +ATOM 6613 C CG2 . ILE D 1 88 ? 14.725 8.575 154.314 1.00 18.62 ? ? ? ? ? ? 87 ILE D CG2 1 +ATOM 6614 C CD1 . ILE D 1 88 ? 11.859 8.028 155.708 1.00 15.31 ? ? ? ? ? ? 87 ILE D CD1 1 +ATOM 6615 N N . HIS D 1 89 ? 13.495 8.240 150.979 1.00 18.61 ? ? ? ? ? ? 88 HIS D N 1 +ATOM 6616 C CA . HIS D 1 89 ? 14.275 8.560 149.815 1.00 18.39 ? ? ? ? ? ? 88 HIS D CA 1 +ATOM 6617 C C . HIS D 1 89 ? 15.360 9.555 150.177 1.00 16.87 ? ? ? ? ? ? 88 HIS D C 1 +ATOM 6618 O O . HIS D 1 89 ? 15.075 10.557 150.757 1.00 16.94 ? ? ? ? ? ? 88 HIS D O 1 +ATOM 6619 C CB . HIS D 1 89 ? 13.414 9.177 148.718 1.00 17.40 ? ? ? ? ? ? 88 HIS D CB 1 +ATOM 6620 C CG . HIS D 1 89 ? 14.227 9.682 147.570 1.00 21.06 ? ? ? ? ? ? 88 HIS D CG 1 +ATOM 6621 N ND1 . HIS D 1 89 ? 14.997 8.843 146.793 1.00 13.01 ? ? ? ? ? ? 88 HIS D ND1 1 +ATOM 6622 C CD2 . HIS D 1 89 ? 14.440 10.939 147.103 1.00 20.26 ? ? ? ? ? ? 88 HIS D CD2 1 +ATOM 6623 C CE1 . HIS D 1 89 ? 15.614 9.559 145.868 1.00 20.29 ? ? ? ? ? ? 88 HIS D CE1 1 +ATOM 6624 N NE2 . HIS D 1 89 ? 15.307 10.834 146.046 1.00 18.12 ? ? ? ? ? ? 88 HIS D NE2 1 +ATOM 6625 N N . THR D 1 90 ? 16.596 9.235 149.809 1.00 17.22 ? ? ? ? ? ? 89 THR D N 1 +ATOM 6626 C CA . THR D 1 90 ? 17.737 10.096 150.027 1.00 17.28 ? ? ? ? ? ? 89 THR D CA 1 +ATOM 6627 C C . THR D 1 90 ? 18.221 10.660 148.696 1.00 16.59 ? ? ? ? ? ? 89 THR D C 1 +ATOM 6628 O O . THR D 1 90 ? 18.522 9.894 147.782 1.00 16.82 ? ? ? ? ? ? 89 THR D O 1 +ATOM 6629 C CB . THR D 1 90 ? 18.892 9.313 150.700 1.00 18.07 ? ? ? ? ? ? 89 THR D CB 1 +ATOM 6630 O OG1 . THR D 1 90 ? 18.360 8.469 151.719 1.00 18.83 ? ? ? ? ? ? 89 THR D OG1 1 +ATOM 6631 C CG2 . THR D 1 90 ? 19.862 10.264 151.331 1.00 16.22 ? ? ? ? ? ? 89 THR D CG2 1 +ATOM 6632 N N . ARG D 1 91 ? 18.296 11.997 148.589 1.00 15.07 ? ? ? ? ? ? 90 ARG D N 1 +ATOM 6633 C CA . ARG D 1 91 ? 18.917 12.650 147.418 1.00 15.81 ? ? ? ? ? ? 90 ARG D CA 1 +ATOM 6634 C C . ARG D 1 91 ? 20.389 12.271 147.272 1.00 16.46 ? ? ? ? ? ? 90 ARG D C 1 +ATOM 6635 O O . ARG D 1 91 ? 21.071 12.035 148.266 1.00 16.04 ? ? ? ? ? ? 90 ARG D O 1 +ATOM 6636 C CB . ARG D 1 91 ? 18.826 14.182 147.512 1.00 15.19 ? ? ? ? ? ? 90 ARG D CB 1 +ATOM 6637 C CG . ARG D 1 91 ? 17.405 14.734 147.449 1.00 17.49 ? ? ? ? ? ? 90 ARG D CG 1 +ATOM 6638 C CD . ARG D 1 91 ? 17.403 16.197 147.790 1.00 22.76 ? ? ? ? ? ? 90 ARG D CD 1 +ATOM 6639 N NE . ARG D 1 91 ? 17.566 16.363 149.226 1.00 25.56 ? ? ? ? ? ? 90 ARG D NE 1 +ATOM 6640 C CZ . ARG D 1 91 ? 17.734 17.521 149.868 1.00 27.31 ? ? ? ? ? ? 90 ARG D CZ 1 +ATOM 6641 N NH1 . ARG D 1 91 ? 17.799 18.677 149.202 1.00 25.64 ? ? ? ? ? ? 90 ARG D NH1 1 +ATOM 6642 N NH2 . ARG D 1 91 ? 17.871 17.499 151.199 1.00 21.55 ? ? ? ? ? ? 90 ARG D NH2 1 +ATOM 6643 N N . TYR D 1 92 ? 20.875 12.208 146.033 1.00 17.29 ? ? ? ? ? ? 91 TYR D N 1 +ATOM 6644 C CA . TYR D 1 92 ? 22.314 11.933 145.747 1.00 17.14 ? ? ? ? ? ? 91 TYR D CA 1 +ATOM 6645 C C . TYR D 1 92 ? 23.249 12.828 146.546 1.00 15.51 ? ? ? ? ? ? 91 TYR D C 1 +ATOM 6646 O O . TYR D 1 92 ? 24.299 12.383 146.999 1.00 16.77 ? ? ? ? ? ? 91 TYR D O 1 +ATOM 6647 C CB . TYR D 1 92 ? 22.666 12.108 144.238 1.00 16.67 ? ? ? ? ? ? 91 TYR D CB 1 +ATOM 6648 C CG . TYR D 1 92 ? 23.988 11.464 143.797 1.00 18.16 ? ? ? ? ? ? 91 TYR D CG 1 +ATOM 6649 C CD1 . TYR D 1 92 ? 25.233 12.105 143.955 1.00 19.85 ? ? ? ? ? ? 91 TYR D CD1 1 +ATOM 6650 C CD2 . TYR D 1 92 ? 23.990 10.206 143.208 1.00 21.86 ? ? ? ? ? ? 91 TYR D CD2 1 +ATOM 6651 C CE1 . TYR D 1 92 ? 26.438 11.477 143.518 1.00 20.27 ? ? ? ? ? ? 91 TYR D CE1 1 +ATOM 6652 C CE2 . TYR D 1 92 ? 25.153 9.596 142.801 1.00 23.25 ? ? ? ? ? ? 91 TYR D CE2 1 +ATOM 6653 C CZ . TYR D 1 92 ? 26.376 10.234 142.942 1.00 21.29 ? ? ? ? ? ? 91 TYR D CZ 1 +ATOM 6654 O OH . TYR D 1 92 ? 27.475 9.520 142.503 1.00 26.98 ? ? ? ? ? ? 91 TYR D OH 1 +ATOM 6655 N N . ALA D 1 93 ? 22.899 14.114 146.635 1.00 16.34 ? ? ? ? ? ? 92 ALA D N 1 +ATOM 6656 C CA . ALA D 1 93 ? 23.736 15.101 147.304 1.00 15.91 ? ? ? ? ? ? 92 ALA D CA 1 +ATOM 6657 C C . ALA D 1 93 ? 23.806 14.810 148.794 1.00 15.38 ? ? ? ? ? ? 92 ALA D C 1 +ATOM 6658 O O . ALA D 1 93 ? 24.783 15.088 149.432 1.00 15.54 ? ? ? ? ? ? 92 ALA D O 1 +ATOM 6659 C CB . ALA D 1 93 ? 23.184 16.516 147.089 1.00 16.13 ? ? ? ? ? ? 92 ALA D CB 1 +ATOM 6660 N N . THR D 1 94 ? 22.724 14.300 149.367 1.00 15.91 ? ? ? ? ? ? 93 THR D N 1 +ATOM 6661 C CA . THR D 1 94 ? 22.718 13.944 150.779 1.00 14.51 ? ? ? ? ? ? 93 THR D CA 1 +ATOM 6662 C C . THR D 1 94 ? 23.635 12.763 151.018 1.00 15.46 ? ? ? ? ? ? 93 THR D C 1 +ATOM 6663 O O . THR D 1 94 ? 24.420 12.754 151.968 1.00 15.20 ? ? ? ? ? ? 93 THR D O 1 +ATOM 6664 C CB . THR D 1 94 ? 21.306 13.584 151.250 1.00 16.77 ? ? ? ? ? ? 93 THR D CB 1 +ATOM 6665 O OG1 . THR D 1 94 ? 20.412 14.665 150.960 1.00 13.05 ? ? ? ? ? ? 93 THR D OG1 1 +ATOM 6666 C CG2 . THR D 1 94 ? 21.342 13.266 152.770 1.00 12.81 ? ? ? ? ? ? 93 THR D CG2 1 +ATOM 6667 N N . GLN D 1 95 ? 23.508 11.740 150.165 1.00 16.71 ? ? ? ? ? ? 94 GLN D N 1 +ATOM 6668 C CA . GLN D 1 95 ? 24.395 10.569 150.213 1.00 15.51 ? ? ? ? ? ? 94 GLN D CA 1 +ATOM 6669 C C . GLN D 1 95 ? 25.870 10.985 150.080 1.00 15.62 ? ? ? ? ? ? 94 GLN D C 1 +ATOM 6670 O O . GLN D 1 95 ? 26.701 10.516 150.831 1.00 15.89 ? ? ? ? ? ? 94 GLN D O 1 +ATOM 6671 C CB . GLN D 1 95 ? 24.044 9.549 149.131 1.00 14.39 ? ? ? ? ? ? 94 GLN D CB 1 +ATOM 6672 C CG . GLN D 1 95 ? 22.701 8.916 149.279 1.00 16.85 ? ? ? ? ? ? 94 GLN D CG 1 +ATOM 6673 C CD . GLN D 1 95 ? 22.446 7.869 148.238 1.00 17.72 ? ? ? ? ? ? 94 GLN D CD 1 +ATOM 6674 O OE1 . GLN D 1 95 ? 22.810 8.036 147.072 1.00 21.25 ? ? ? ? ? ? 94 GLN D OE1 1 +ATOM 6675 N NE2 . GLN D 1 95 ? 21.815 6.774 148.650 1.00 16.57 ? ? ? ? ? ? 94 GLN D NE2 1 +ATOM 6676 N N . GLN D 1 96 ? 26.171 11.882 149.152 1.00 16.44 ? ? ? ? ? ? 95 GLN D N 1 +ATOM 6677 C CA . GLN D 1 96 ? 27.534 12.329 148.929 1.00 16.82 ? ? ? ? ? ? 95 GLN D CA 1 +ATOM 6678 C C . GLN D 1 96 ? 28.054 13.133 150.103 1.00 15.38 ? ? ? ? ? ? 95 GLN D C 1 +ATOM 6679 O O . GLN D 1 96 ? 29.179 12.948 150.483 1.00 16.76 ? ? ? ? ? ? 95 GLN D O 1 +ATOM 6680 C CB . GLN D 1 96 ? 27.649 13.132 147.650 1.00 16.54 ? ? ? ? ? ? 95 GLN D CB 1 +ATOM 6681 C CG . GLN D 1 96 ? 29.080 13.624 147.310 1.00 21.09 ? ? ? ? ? ? 95 GLN D CG 1 +ATOM 6682 C CD . GLN D 1 96 ? 29.078 14.621 146.130 1.00 26.15 ? ? ? ? ? ? 95 GLN D CD 1 +ATOM 6683 O OE1 . GLN D 1 96 ? 28.542 14.342 145.056 1.00 31.95 ? ? ? ? ? ? 95 GLN D OE1 1 +ATOM 6684 N NE2 . GLN D 1 96 ? 29.644 15.819 146.365 1.00 40.55 ? ? ? ? ? ? 95 GLN D NE2 1 +ATOM 6685 N N . ALA D 1 97 ? 27.230 14.002 150.695 1.00 15.94 ? ? ? ? ? ? 96 ALA D N 1 +ATOM 6686 C CA . ALA D 1 97 ? 27.636 14.684 151.920 1.00 15.47 ? ? ? ? ? ? 96 ALA D CA 1 +ATOM 6687 C C . ALA D 1 97 ? 27.992 13.685 153.041 1.00 16.39 ? ? ? ? ? ? 96 ALA D C 1 +ATOM 6688 O O . ALA D 1 97 ? 29.011 13.835 153.698 1.00 14.13 ? ? ? ? ? ? 96 ALA D O 1 +ATOM 6689 C CB . ALA D 1 97 ? 26.585 15.629 152.373 1.00 13.89 ? ? ? ? ? ? 96 ALA D CB 1 +ATOM 6690 N N . ILE D 1 98 ? 27.155 12.665 153.236 1.00 15.63 ? ? ? ? ? ? 97 ILE D N 1 +ATOM 6691 C CA . ILE D 1 98 ? 27.481 11.563 154.175 1.00 14.85 ? ? ? ? ? ? 97 ILE D CA 1 +ATOM 6692 C C . ILE D 1 98 ? 28.821 10.840 153.868 1.00 15.56 ? ? ? ? ? ? 97 ILE D C 1 +ATOM 6693 O O . ILE D 1 98 ? 29.612 10.632 154.778 1.00 15.35 ? ? ? ? ? ? 97 ILE D O 1 +ATOM 6694 C CB . ILE D 1 98 ? 26.378 10.490 154.252 1.00 15.46 ? ? ? ? ? ? 97 ILE D CB 1 +ATOM 6695 C CG1 . ILE D 1 98 ? 25.068 11.055 154.801 1.00 14.96 ? ? ? ? ? ? 97 ILE D CG1 1 +ATOM 6696 C CG2 . ILE D 1 98 ? 26.832 9.304 155.140 1.00 17.79 ? ? ? ? ? ? 97 ILE D CG2 1 +ATOM 6697 C CD1 . ILE D 1 98 ? 23.838 10.220 154.397 1.00 14.20 ? ? ? ? ? ? 97 ILE D CD1 1 +ATOM 6698 N N . LEU D 1 99 ? 29.064 10.432 152.613 1.00 15.98 ? ? ? ? ? ? 98 LEU D N 1 +ATOM 6699 C CA . LEU D 1 99 ? 30.358 9.810 152.267 1.00 16.71 ? ? ? ? ? ? 98 LEU D CA 1 +ATOM 6700 C C . LEU D 1 99 ? 31.521 10.779 152.424 1.00 17.27 ? ? ? ? ? ? 98 LEU D C 1 +ATOM 6701 O O . LEU D 1 99 ? 32.653 10.379 152.776 1.00 18.13 ? ? ? ? ? ? 98 LEU D O 1 +ATOM 6702 C CB . LEU D 1 99 ? 30.371 9.212 150.825 1.00 17.03 ? ? ? ? ? ? 98 LEU D CB 1 +ATOM 6703 C CG . LEU D 1 99 ? 31.594 8.361 150.434 1.00 18.62 ? ? ? ? ? ? 98 LEU D CG 1 +ATOM 6704 C CD1 . LEU D 1 99 ? 31.784 7.166 151.408 1.00 14.25 ? ? ? ? ? ? 98 LEU D CD1 1 +ATOM 6705 C CD2 . LEU D 1 99 ? 31.442 7.832 149.019 1.00 14.90 ? ? ? ? ? ? 98 LEU D CD2 1 +ATOM 6706 N N . GLU D 1 100 ? 31.281 12.053 152.131 1.00 17.36 ? ? ? ? ? ? 99 GLU D N 1 +ATOM 6707 C CA . GLU D 1 100 ? 32.345 13.045 152.326 1.00 18.36 ? ? ? ? ? ? 99 GLU D CA 1 +ATOM 6708 C C . GLU D 1 100 ? 32.787 13.115 153.788 1.00 18.08 ? ? ? ? ? ? 99 GLU D C 1 +ATOM 6709 O O . GLU D 1 100 ? 33.990 13.242 154.093 1.00 17.07 ? ? ? ? ? ? 99 GLU D O 1 +ATOM 6710 C CB . GLU D 1 100 ? 31.905 14.446 151.847 1.00 17.52 ? ? ? ? ? ? 99 GLU D CB 1 +ATOM 6711 C CG . GLU D 1 100 ? 31.895 14.566 150.330 1.00 21.92 ? ? ? ? ? ? 99 GLU D CG 1 +ATOM 6712 C CD . GLU D 1 100 ? 31.377 15.890 149.831 1.00 22.72 ? ? ? ? ? ? 99 GLU D CD 1 +ATOM 6713 O OE1 . GLU D 1 100 ? 30.688 16.606 150.597 1.00 25.97 ? ? ? ? ? ? 99 GLU D OE1 1 +ATOM 6714 O OE2 . GLU D 1 100 ? 31.622 16.176 148.644 1.00 25.55 ? ? ? ? ? ? 99 GLU D OE2 1 +ATOM 6715 N N . ASP D 1 101 ? 31.791 13.049 154.678 1.00 16.83 ? ? ? ? ? ? 100 ASP D N 1 +ATOM 6716 C CA . ASP D 1 101 ? 32.033 13.094 156.126 1.00 17.07 ? ? ? ? ? ? 100 ASP D CA 1 +ATOM 6717 C C . ASP D 1 101 ? 32.705 11.863 156.672 1.00 17.35 ? ? ? ? ? ? 100 ASP D C 1 +ATOM 6718 O O . ASP D 1 101 ? 33.619 11.968 157.496 1.00 18.40 ? ? ? ? ? ? 100 ASP D O 1 +ATOM 6719 C CB . ASP D 1 101 ? 30.726 13.432 156.864 1.00 15.55 ? ? ? ? ? ? 100 ASP D CB 1 +ATOM 6720 C CG . ASP D 1 101 ? 30.371 14.912 156.720 1.00 21.16 ? ? ? ? ? ? 100 ASP D CG 1 +ATOM 6721 O OD1 . ASP D 1 101 ? 31.188 15.648 156.126 1.00 23.31 ? ? ? ? ? ? 100 ASP D OD1 1 +ATOM 6722 O OD2 . ASP D 1 101 ? 29.300 15.353 157.188 1.00 23.16 ? ? ? ? ? ? 100 ASP D OD2 1 +ATOM 6723 N N . ILE D 1 102 ? 32.279 10.691 156.214 1.00 17.36 ? ? ? ? ? ? 101 ILE D N 1 +ATOM 6724 C CA . ILE D 1 102 ? 32.906 9.442 156.622 1.00 15.57 ? ? ? ? ? ? 101 ILE D CA 1 +ATOM 6725 C C . ILE D 1 102 ? 34.371 9.428 156.164 1.00 16.87 ? ? ? ? ? ? 101 ILE D C 1 +ATOM 6726 O O . ILE D 1 102 ? 35.255 9.141 156.945 1.00 17.67 ? ? ? ? ? ? 101 ILE D O 1 +ATOM 6727 C CB . ILE D 1 102 ? 32.143 8.226 156.085 1.00 16.88 ? ? ? ? ? ? 101 ILE D CB 1 +ATOM 6728 C CG1 . ILE D 1 102 ? 30.752 8.121 156.728 1.00 16.09 ? ? ? ? ? ? 101 ILE D CG1 1 +ATOM 6729 C CG2 . ILE D 1 102 ? 32.899 6.857 156.292 1.00 14.18 ? ? ? ? ? ? 101 ILE D CG2 1 +ATOM 6730 C CD1 . ILE D 1 102 ? 29.887 7.107 156.051 1.00 8.82 ? ? ? ? ? ? 101 ILE D CD1 1 +ATOM 6731 N N . VAL D 1 103 ? 34.641 9.786 154.919 1.00 17.00 ? ? ? ? ? ? 102 VAL D N 1 +ATOM 6732 C CA . VAL D 1 103 ? 36.023 9.702 154.382 1.00 17.20 ? ? ? ? ? ? 102 VAL D CA 1 +ATOM 6733 C C . VAL D 1 103 ? 36.936 10.730 155.051 1.00 17.82 ? ? ? ? ? ? 102 VAL D C 1 +ATOM 6734 O O . VAL D 1 103 ? 38.073 10.454 155.349 1.00 18.36 ? ? ? ? ? ? 102 VAL D O 1 +ATOM 6735 C CB . VAL D 1 103 ? 36.024 9.858 152.820 1.00 18.34 ? ? ? ? ? ? 102 VAL D CB 1 +ATOM 6736 C CG1 . VAL D 1 103 ? 37.458 10.082 152.241 1.00 14.96 ? ? ? ? ? ? 102 VAL D CG1 1 +ATOM 6737 C CG2 . VAL D 1 103 ? 35.298 8.643 152.194 1.00 13.50 ? ? ? ? ? ? 102 VAL D CG2 1 +ATOM 6738 N N . SER D 1 104 ? 36.401 11.909 155.305 1.00 17.17 ? ? ? ? ? ? 103 SER D N 1 +ATOM 6739 C CA . SER D 1 104 ? 37.176 12.943 155.954 1.00 17.35 ? ? ? ? ? ? 103 SER D CA 1 +ATOM 6740 C C . SER D 1 104 ? 37.663 12.461 157.329 1.00 18.41 ? ? ? ? ? ? 103 SER D C 1 +ATOM 6741 O O . SER D 1 104 ? 38.834 12.594 157.671 1.00 19.12 ? ? ? ? ? ? 103 SER D O 1 +ATOM 6742 C CB . SER D 1 104 ? 36.352 14.206 156.064 1.00 13.18 ? ? ? ? ? ? 103 SER D CB 1 +ATOM 6743 O OG . SER D 1 104 ? 37.027 15.147 156.866 1.00 26.22 ? ? ? ? ? ? 103 SER D OG 1 +ATOM 6744 N N . SER D 1 105 ? 36.750 11.845 158.088 1.00 18.66 ? ? ? ? ? ? 104 SER D N 1 +ATOM 6745 C CA . SER D 1 105 ? 37.070 11.320 159.414 1.00 18.20 ? ? ? ? ? ? 104 SER D CA 1 +ATOM 6746 C C . SER D 1 105 ? 38.062 10.170 159.319 1.00 17.45 ? ? ? ? ? ? 104 SER D C 1 +ATOM 6747 O O . SER D 1 105 ? 39.069 10.197 160.010 1.00 17.96 ? ? ? ? ? ? 104 SER D O 1 +ATOM 6748 C CB . SER D 1 105 ? 35.811 10.896 160.185 1.00 17.76 ? ? ? ? ? ? 104 SER D CB 1 +ATOM 6749 O OG . SER D 1 105 ? 35.147 12.051 160.707 1.00 21.76 ? ? ? ? ? ? 104 SER D OG 1 +ATOM 6750 N N . LEU D 1 106 ? 37.787 9.189 158.457 1.00 17.62 ? ? ? ? ? ? 105 LEU D N 1 +ATOM 6751 C CA . LEU D 1 106 ? 38.654 8.023 158.302 1.00 17.42 ? ? ? ? ? ? 105 LEU D CA 1 +ATOM 6752 C C . LEU D 1 106 ? 40.052 8.454 157.840 1.00 18.77 ? ? ? ? ? ? 105 LEU D C 1 +ATOM 6753 O O . LEU D 1 106 ? 41.051 7.893 158.299 1.00 18.77 ? ? ? ? ? ? 105 LEU D O 1 +ATOM 6754 C CB . LEU D 1 106 ? 38.036 7.016 157.320 1.00 16.14 ? ? ? ? ? ? 105 LEU D CB 1 +ATOM 6755 C CG . LEU D 1 106 ? 36.725 6.311 157.679 1.00 20.36 ? ? ? ? ? ? 105 LEU D CG 1 +ATOM 6756 C CD1 . LEU D 1 106 ? 36.235 5.447 156.476 1.00 11.70 ? ? ? ? ? ? 105 LEU D CD1 1 +ATOM 6757 C CD2 . LEU D 1 106 ? 36.880 5.508 158.955 1.00 16.65 ? ? ? ? ? ? 105 LEU D CD2 1 +ATOM 6758 N N . HIS D 1 107 ? 40.131 9.479 156.989 1.00 19.47 ? ? ? ? ? ? 106 HIS D N 1 +ATOM 6759 C CA . HIS D 1 107 ? 41.421 9.939 156.483 1.00 21.36 ? ? ? ? ? ? 106 HIS D CA 1 +ATOM 6760 C C . HIS D 1 107 ? 42.255 10.542 157.618 1.00 20.98 ? ? ? ? ? ? 106 HIS D C 1 +ATOM 6761 O O . HIS D 1 107 ? 43.444 10.258 157.725 1.00 22.70 ? ? ? ? ? ? 106 HIS D O 1 +ATOM 6762 C CB . HIS D 1 107 ? 41.257 10.930 155.306 1.00 22.21 ? ? ? ? ? ? 106 HIS D CB 1 +ATOM 6763 C CG . HIS D 1 107 ? 42.564 11.266 154.625 1.00 24.28 ? ? ? ? ? ? 106 HIS D CG 1 +ATOM 6764 N ND1 . HIS D 1 107 ? 43.425 12.238 155.095 1.00 24.23 ? ? ? ? ? ? 106 HIS D ND1 1 +ATOM 6765 C CD2 . HIS D 1 107 ? 43.169 10.729 153.537 1.00 24.62 ? ? ? ? ? ? 106 HIS D CD2 1 +ATOM 6766 C CE1 . HIS D 1 107 ? 44.493 12.292 154.319 1.00 26.30 ? ? ? ? ? ? 106 HIS D CE1 1 +ATOM 6767 N NE2 . HIS D 1 107 ? 44.365 11.384 153.369 1.00 22.93 ? ? ? ? ? ? 106 HIS D NE2 1 +ATOM 6768 N N . VAL D 1 108 ? 41.620 11.356 158.463 1.00 21.64 ? ? ? ? ? ? 107 VAL D N 1 +ATOM 6769 C CA . VAL D 1 108 ? 42.269 11.957 159.638 1.00 21.02 ? ? ? ? ? ? 107 VAL D CA 1 +ATOM 6770 C C . VAL D 1 108 ? 42.846 10.892 160.565 1.00 22.20 ? ? ? ? ? ? 107 VAL D C 1 +ATOM 6771 O O . VAL D 1 108 ? 43.903 11.073 161.184 1.00 22.48 ? ? ? ? ? ? 107 VAL D O 1 +ATOM 6772 C CB . VAL D 1 108 ? 41.284 12.905 160.407 1.00 19.17 ? ? ? ? ? ? 107 VAL D CB 1 +ATOM 6773 C CG1 . VAL D 1 108 ? 41.774 13.221 161.773 1.00 24.79 ? ? ? ? ? ? 107 VAL D CG1 1 +ATOM 6774 C CG2 . VAL D 1 108 ? 41.091 14.197 159.651 1.00 24.53 ? ? ? ? ? ? 107 VAL D CG2 1 +ATOM 6775 N N . GLN D 1 109 ? 42.145 9.781 160.649 1.00 21.55 ? ? ? ? ? ? 108 GLN D N 1 +ATOM 6776 C CA . GLN D 1 109 ? 42.528 8.662 161.461 1.00 21.44 ? ? ? ? ? ? 108 GLN D CA 1 +ATOM 6777 C C . GLN D 1 109 ? 43.613 7.778 160.823 1.00 22.98 ? ? ? ? ? ? 108 GLN D C 1 +ATOM 6778 O O . GLN D 1 109 ? 44.001 6.789 161.397 1.00 23.28 ? ? ? ? ? ? 108 GLN D O 1 +ATOM 6779 C CB . GLN D 1 109 ? 41.267 7.819 161.722 1.00 20.38 ? ? ? ? ? ? 108 GLN D CB 1 +ATOM 6780 C CG . GLN D 1 109 ? 40.221 8.583 162.502 1.00 17.69 ? ? ? ? ? ? 108 GLN D CG 1 +ATOM 6781 C CD . GLN D 1 109 ? 38.841 8.039 162.333 1.00 16.38 ? ? ? ? ? ? 108 GLN D CD 1 +ATOM 6782 O OE1 . GLN D 1 109 ? 38.676 6.886 161.977 1.00 17.74 ? ? ? ? ? ? 108 GLN D OE1 1 +ATOM 6783 N NE2 . GLN D 1 109 ? 37.833 8.860 162.625 1.00 14.97 ? ? ? ? ? ? 108 GLN D NE2 1 +ATOM 6784 N N . GLY D 1 110 ? 44.071 8.100 159.616 1.00 22.72 ? ? ? ? ? ? 109 GLY D N 1 +ATOM 6785 C CA . GLY D 1 110 ? 45.172 7.360 158.987 1.00 21.87 ? ? ? ? ? ? 109 GLY D CA 1 +ATOM 6786 C C . GLY D 1 110 ? 44.773 6.282 157.992 1.00 21.87 ? ? ? ? ? ? 109 GLY D C 1 +ATOM 6787 O O . GLY D 1 110 ? 45.634 5.662 157.365 1.00 21.06 ? ? ? ? ? ? 109 GLY D O 1 +ATOM 6788 N N . PHE D 1 111 ? 43.470 6.048 157.841 1.00 20.99 ? ? ? ? ? ? 110 PHE D N 1 +ATOM 6789 C CA . PHE D 1 111 ? 42.989 5.000 156.928 1.00 19.81 ? ? ? ? ? ? 110 PHE D CA 1 +ATOM 6790 C C . PHE D 1 111 ? 43.077 5.490 155.486 1.00 20.33 ? ? ? ? ? ? 110 PHE D C 1 +ATOM 6791 O O . PHE D 1 111 ? 42.861 6.689 155.196 1.00 20.68 ? ? ? ? ? ? 110 PHE D O 1 +ATOM 6792 C CB . PHE D 1 111 ? 41.568 4.534 157.302 1.00 20.53 ? ? ? ? ? ? 110 PHE D CB 1 +ATOM 6793 C CG . PHE D 1 111 ? 41.471 4.019 158.732 1.00 18.98 ? ? ? ? ? ? 110 PHE D CG 1 +ATOM 6794 C CD1 . PHE D 1 111 ? 42.150 2.872 159.110 1.00 20.18 ? ? ? ? ? ? 110 PHE D CD1 1 +ATOM 6795 C CD2 . PHE D 1 111 ? 40.774 4.710 159.703 1.00 19.26 ? ? ? ? ? ? 110 PHE D CD2 1 +ATOM 6796 C CE1 . PHE D 1 111 ? 42.112 2.409 160.415 1.00 20.25 ? ? ? ? ? ? 110 PHE D CE1 1 +ATOM 6797 C CE2 . PHE D 1 111 ? 40.726 4.241 161.043 1.00 18.36 ? ? ? ? ? ? 110 PHE D CE2 1 +ATOM 6798 C CZ . PHE D 1 111 ? 41.384 3.086 161.377 1.00 22.19 ? ? ? ? ? ? 110 PHE D CZ 1 +ATOM 6799 N N . ARG D 1 112 ? 43.388 4.561 154.589 1.00 19.82 ? ? ? ? ? ? 111 ARG D N 1 +ATOM 6800 C CA . ARG D 1 112 ? 43.605 4.891 153.182 1.00 21.52 ? ? ? ? ? ? 111 ARG D CA 1 +ATOM 6801 C C . ARG D 1 112 ? 42.862 3.948 152.217 1.00 20.97 ? ? ? ? ? ? 111 ARG D C 1 +ATOM 6802 O O . ARG D 1 112 ? 43.046 4.059 150.991 1.00 20.55 ? ? ? ? ? ? 111 ARG D O 1 +ATOM 6803 C CB . ARG D 1 112 ? 45.113 4.873 152.874 1.00 19.88 ? ? ? ? ? ? 111 ARG D CB 1 +ATOM 6804 C CG . ARG D 1 112 ? 45.941 5.831 153.718 1.00 21.81 ? ? ? ? ? ? 111 ARG D CG 1 +ATOM 6805 C CD . ARG D 1 112 ? 45.596 7.255 153.327 1.00 17.86 ? ? ? ? ? ? 111 ARG D CD 1 +ATOM 6806 N NE . ARG D 1 112 ? 46.361 8.302 153.983 1.00 25.28 ? ? ? ? ? ? 111 ARG D NE 1 +ATOM 6807 C CZ . ARG D 1 112 ? 45.997 8.925 155.101 1.00 24.49 ? ? ? ? ? ? 111 ARG D CZ 1 +ATOM 6808 N NH1 . ARG D 1 112 ? 44.886 8.580 155.760 1.00 21.80 ? ? ? ? ? ? 111 ARG D NH1 1 +ATOM 6809 N NH2 . ARG D 1 112 ? 46.751 9.897 155.578 1.00 21.35 ? ? ? ? ? ? 111 ARG D NH2 1 +ATOM 6810 N N . LYS D 1 113 ? 42.036 3.040 152.751 1.00 19.69 ? ? ? ? ? ? 112 LYS D N 1 +ATOM 6811 C CA . LYS D 1 113 ? 41.336 2.037 151.951 1.00 20.01 ? ? ? ? ? ? 112 LYS D CA 1 +ATOM 6812 C C . LYS D 1 113 ? 39.912 1.752 152.467 1.00 19.65 ? ? ? ? ? ? 112 LYS D C 1 +ATOM 6813 O O . LYS D 1 113 ? 39.742 1.333 153.636 1.00 19.05 ? ? ? ? ? ? 112 LYS D O 1 +ATOM 6814 C CB . LYS D 1 113 ? 42.137 0.748 151.994 1.00 19.48 ? ? ? ? ? ? 112 LYS D CB 1 +ATOM 6815 C CG . LYS D 1 113 ? 43.465 0.833 151.254 1.00 26.27 ? ? ? ? ? ? 112 LYS D CG 1 +ATOM 6816 C CD . LYS D 1 113 ? 44.436 -0.209 151.700 1.00 34.11 ? ? ? ? ? ? 112 LYS D CD 1 +ATOM 6817 C CE . LYS D 1 113 ? 45.796 0.057 151.094 1.00 38.97 ? ? ? ? ? ? 112 LYS D CE 1 +ATOM 6818 N NZ . LYS D 1 113 ? 46.714 -1.081 151.271 1.00 42.38 ? ? ? ? ? ? 112 LYS D NZ 1 +ATOM 6819 N N . LEU D 1 114 ? 38.922 1.892 151.582 1.00 18.63 ? ? ? ? ? ? 113 LEU D N 1 +ATOM 6820 C CA . LEU D 1 114 ? 37.525 1.732 151.906 1.00 18.12 ? ? ? ? ? ? 113 LEU D CA 1 +ATOM 6821 C C . LEU D 1 114 ? 36.791 0.946 150.810 1.00 18.44 ? ? ? ? ? ? 113 LEU D C 1 +ATOM 6822 O O . LEU D 1 114 ? 36.918 1.266 149.603 1.00 19.52 ? ? ? ? ? ? 113 LEU D O 1 +ATOM 6823 C CB . LEU D 1 114 ? 36.877 3.120 152.113 1.00 17.01 ? ? ? ? ? ? 113 LEU D CB 1 +ATOM 6824 C CG . LEU D 1 114 ? 35.359 3.284 152.348 1.00 16.87 ? ? ? ? ? ? 113 LEU D CG 1 +ATOM 6825 C CD1 . LEU D 1 114 ? 34.984 2.675 153.703 1.00 11.29 ? ? ? ? ? ? 113 LEU D CD1 1 +ATOM 6826 C CD2 . LEU D 1 114 ? 34.893 4.755 152.280 1.00 17.46 ? ? ? ? ? ? 113 LEU D CD2 1 +ATOM 6827 N N . LEU D 1 115 ? 36.004 -0.049 151.220 1.00 17.59 ? ? ? ? ? ? 114 LEU D N 1 +ATOM 6828 C CA . LEU D 1 115 ? 35.053 -0.693 150.342 1.00 17.56 ? ? ? ? ? ? 114 LEU D CA 1 +ATOM 6829 C C . LEU D 1 115 ? 33.656 -0.330 150.814 1.00 17.47 ? ? ? ? ? ? 114 LEU D C 1 +ATOM 6830 O O . LEU D 1 115 ? 33.328 -0.495 151.992 1.00 18.48 ? ? ? ? ? ? 114 LEU D O 1 +ATOM 6831 C CB . LEU D 1 115 ? 35.223 -2.220 150.304 1.00 18.34 ? ? ? ? ? ? 114 LEU D CB 1 +ATOM 6832 C CG . LEU D 1 115 ? 34.150 -2.970 149.527 1.00 19.92 ? ? ? ? ? ? 114 LEU D CG 1 +ATOM 6833 C CD1 . LEU D 1 115 ? 34.359 -2.818 147.972 1.00 16.47 ? ? ? ? ? ? 114 LEU D CD1 1 +ATOM 6834 C CD2 . LEU D 1 115 ? 34.081 -4.416 149.942 1.00 17.29 ? ? ? ? ? ? 114 LEU D CD2 1 +ATOM 6835 N N . ILE D 1 116 ? 32.864 0.214 149.900 1.00 17.31 ? ? ? ? ? ? 115 ILE D N 1 +ATOM 6836 C CA . ILE D 1 116 ? 31.453 0.408 150.125 1.00 17.59 ? ? ? ? ? ? 115 ILE D CA 1 +ATOM 6837 C C . ILE D 1 116 ? 30.790 -0.851 149.600 1.00 18.12 ? ? ? ? ? ? 115 ILE D C 1 +ATOM 6838 O O . ILE D 1 116 ? 30.920 -1.199 148.435 1.00 17.77 ? ? ? ? ? ? 115 ILE D O 1 +ATOM 6839 C CB . ILE D 1 116 ? 30.890 1.665 149.407 1.00 17.62 ? ? ? ? ? ? 115 ILE D CB 1 +ATOM 6840 C CG1 . ILE D 1 116 ? 31.739 2.914 149.744 1.00 18.55 ? ? ? ? ? ? 115 ILE D CG1 1 +ATOM 6841 C CG2 . ILE D 1 116 ? 29.391 1.895 149.824 1.00 16.86 ? ? ? ? ? ? 115 ILE D CG2 1 +ATOM 6842 C CD1 . ILE D 1 116 ? 31.354 4.112 148.949 1.00 15.48 ? ? ? ? ? ? 115 ILE D CD1 1 +ATOM 6843 N N . LEU D 1 117 ? 30.111 -1.562 150.499 1.00 18.14 ? ? ? ? ? ? 116 LEU D N 1 +ATOM 6844 C CA . LEU D 1 117 ? 29.354 -2.766 150.163 1.00 16.69 ? ? ? ? ? ? 116 LEU D CA 1 +ATOM 6845 C C . LEU D 1 117 ? 27.869 -2.449 150.251 1.00 17.29 ? ? ? ? ? ? 116 LEU D C 1 +ATOM 6846 O O . LEU D 1 117 ? 27.274 -2.345 151.331 1.00 17.40 ? ? ? ? ? ? 116 LEU D O 1 +ATOM 6847 C CB . LEU D 1 117 ? 29.736 -3.923 151.089 1.00 17.04 ? ? ? ? ? ? 116 LEU D CB 1 +ATOM 6848 C CG . LEU D 1 117 ? 29.221 -5.289 150.649 1.00 13.41 ? ? ? ? ? ? 116 LEU D CG 1 +ATOM 6849 C CD1 . LEU D 1 117 ? 29.795 -5.700 149.257 1.00 11.86 ? ? ? ? ? ? 116 LEU D CD1 1 +ATOM 6850 C CD2 . LEU D 1 117 ? 29.440 -6.324 151.722 1.00 17.30 ? ? ? ? ? ? 116 LEU D CD2 1 +ATOM 6851 N N . SER D 1 118 ? 27.270 -2.273 149.090 1.00 18.24 ? ? ? ? ? ? 117 SER D N 1 +ATOM 6852 C CA . SER D 1 118 ? 25.885 -1.857 148.990 1.00 18.58 ? ? ? ? ? ? 117 SER D CA 1 +ATOM 6853 C C . SER D 1 118 ? 24.936 -3.044 149.014 1.00 20.26 ? ? ? ? ? ? 117 SER D C 1 +ATOM 6854 O O . SER D 1 118 ? 25.251 -4.119 148.483 1.00 20.21 ? ? ? ? ? ? 117 SER D O 1 +ATOM 6855 C CB . SER D 1 118 ? 25.654 -1.025 147.712 1.00 18.94 ? ? ? ? ? ? 117 SER D CB 1 +ATOM 6856 O OG . SER D 1 118 ? 24.273 -0.684 147.606 1.00 19.31 ? ? ? ? ? ? 117 SER D OG 1 +ATOM 6857 N N . GLY D 1 119 ? 23.780 -2.816 149.644 1.00 20.42 ? ? ? ? ? ? 118 GLY D N 1 +ATOM 6858 C CA . GLY D 1 119 ? 22.698 -3.778 149.702 1.00 20.45 ? ? ? ? ? ? 118 GLY D CA 1 +ATOM 6859 C C . GLY D 1 119 ? 21.519 -3.360 148.850 1.00 20.06 ? ? ? ? ? ? 118 GLY D C 1 +ATOM 6860 O O . GLY D 1 119 ? 20.586 -4.097 148.750 1.00 21.05 ? ? ? ? ? ? 118 GLY D O 1 +ATOM 6861 N N . HIS D 1 120 ? 21.609 -2.185 148.226 1.00 19.52 ? ? ? ? ? ? 119 HIS D N 1 +ATOM 6862 C CA . HIS D 1 120 ? 20.538 -1.549 147.504 1.00 21.16 ? ? ? ? ? ? 119 HIS D CA 1 +ATOM 6863 C C . HIS D 1 120 ? 21.026 -1.104 146.118 1.00 22.44 ? ? ? ? ? ? 119 HIS D C 1 +ATOM 6864 O O . HIS D 1 120 ? 21.925 -0.260 145.995 1.00 23.84 ? ? ? ? ? ? 119 HIS D O 1 +ATOM 6865 C CB . HIS D 1 120 ? 20.028 -0.358 148.318 1.00 21.26 ? ? ? ? ? ? 119 HIS D CB 1 +ATOM 6866 C CG . HIS D 1 120 ? 18.960 0.425 147.639 1.00 20.63 ? ? ? ? ? ? 119 HIS D CG 1 +ATOM 6867 N ND1 . HIS D 1 120 ? 17.772 -0.138 147.238 1.00 18.76 ? ? ? ? ? ? 119 HIS D ND1 1 +ATOM 6868 C CD2 . HIS D 1 120 ? 18.887 1.733 147.307 1.00 20.43 ? ? ? ? ? ? 119 HIS D CD2 1 +ATOM 6869 C CE1 . HIS D 1 120 ? 17.027 0.782 146.654 1.00 21.47 ? ? ? ? ? ? 119 HIS D CE1 1 +ATOM 6870 N NE2 . HIS D 1 120 ? 17.681 1.928 146.685 1.00 18.56 ? ? ? ? ? ? 119 HIS D NE2 1 +ATOM 6871 N N . GLY D 1 121 ? 20.437 -1.684 145.081 1.00 22.83 ? ? ? ? ? ? 120 GLY D N 1 +ATOM 6872 C CA . GLY D 1 121 ? 20.809 -1.416 143.687 1.00 23.12 ? ? ? ? ? ? 120 GLY D CA 1 +ATOM 6873 C C . GLY D 1 121 ? 20.464 -0.017 143.197 1.00 23.49 ? ? ? ? ? ? 120 GLY D C 1 +ATOM 6874 O O . GLY D 1 121 ? 21.049 0.457 142.234 1.00 24.48 ? ? ? ? ? ? 120 GLY D O 1 +ATOM 6875 N N . GLY D 1 122 ? 19.524 0.643 143.865 1.00 23.52 ? ? ? ? ? ? 121 GLY D N 1 +ATOM 6876 C CA . GLY D 1 122 ? 19.260 2.083 143.663 1.00 22.79 ? ? ? ? ? ? 121 GLY D CA 1 +ATOM 6877 C C . GLY D 1 122 ? 20.436 2.984 144.043 1.00 22.68 ? ? ? ? ? ? 121 GLY D C 1 +ATOM 6878 O O . GLY D 1 122 ? 20.543 4.114 143.551 1.00 22.86 ? ? ? ? ? ? 121 GLY D O 1 +ATOM 6879 N N . ASN D 1 123 ? 21.330 2.495 144.904 1.00 22.06 ? ? ? ? ? ? 122 ASN D N 1 +ATOM 6880 C CA . ASN D 1 123 ? 22.540 3.235 145.246 1.00 21.32 ? ? ? ? ? ? 122 ASN D CA 1 +ATOM 6881 C C . ASN D 1 123 ? 23.611 3.126 144.148 1.00 21.99 ? ? ? ? ? ? 122 ASN D C 1 +ATOM 6882 O O . ASN D 1 123 ? 23.897 2.044 143.647 1.00 20.78 ? ? ? ? ? ? 122 ASN D O 1 +ATOM 6883 C CB . ASN D 1 123 ? 23.130 2.732 146.552 1.00 19.69 ? ? ? ? ? ? 122 ASN D CB 1 +ATOM 6884 C CG . ASN D 1 123 ? 22.223 2.939 147.733 1.00 17.61 ? ? ? ? ? ? 122 ASN D CG 1 +ATOM 6885 O OD1 . ASN D 1 123 ? 21.343 3.807 147.737 1.00 19.70 ? ? ? ? ? ? 122 ASN D OD1 1 +ATOM 6886 N ND2 . ASN D 1 123 ? 22.464 2.178 148.765 1.00 16.66 ? ? ? ? ? ? 122 ASN D ND2 1 +ATOM 6887 N N . ASN D 1 124 ? 24.171 4.280 143.790 1.00 21.05 ? ? ? ? ? ? 123 ASN D N 1 +ATOM 6888 C CA . ASN D 1 124 ? 25.185 4.421 142.762 1.00 22.53 ? ? ? ? ? ? 123 ASN D CA 1 +ATOM 6889 C C . ASN D 1 124 ? 26.250 5.343 143.313 1.00 20.69 ? ? ? ? ? ? 123 ASN D C 1 +ATOM 6890 O O . ASN D 1 124 ? 25.939 6.474 143.662 1.00 21.22 ? ? ? ? ? ? 123 ASN D O 1 +ATOM 6891 C CB . ASN D 1 124 ? 24.564 5.072 141.519 1.00 24.86 ? ? ? ? ? ? 123 ASN D CB 1 +ATOM 6892 C CG . ASN D 1 124 ? 23.711 4.124 140.718 1.00 29.95 ? ? ? ? ? ? 123 ASN D CG 1 +ATOM 6893 O OD1 . ASN D 1 124 ? 24.238 3.203 140.097 1.00 38.81 ? ? ? ? ? ? 123 ASN D OD1 1 +ATOM 6894 N ND2 . ASN D 1 124 ? 22.379 4.363 140.694 1.00 28.85 ? ? ? ? ? ? 123 ASN D ND2 1 +ATOM 6895 N N . PHE D 1 125 ? 27.477 4.851 143.388 1.00 19.72 ? ? ? ? ? ? 124 PHE D N 1 +ATOM 6896 C CA . PHE D 1 125 ? 28.605 5.533 144.059 1.00 18.93 ? ? ? ? ? ? 124 PHE D CA 1 +ATOM 6897 C C . PHE D 1 125 ? 29.775 5.993 143.148 1.00 18.87 ? ? ? ? ? ? 124 PHE D C 1 +ATOM 6898 O O . PHE D 1 125 ? 30.700 6.625 143.638 1.00 18.72 ? ? ? ? ? ? 124 PHE D O 1 +ATOM 6899 C CB . PHE D 1 125 ? 29.173 4.615 145.161 1.00 20.08 ? ? ? ? ? ? 124 PHE D CB 1 +ATOM 6900 C CG . PHE D 1 125 ? 28.147 4.234 146.200 1.00 18.92 ? ? ? ? ? ? 124 PHE D CG 1 +ATOM 6901 C CD1 . PHE D 1 125 ? 27.773 5.137 147.167 1.00 15.87 ? ? ? ? ? ? 124 PHE D CD1 1 +ATOM 6902 C CD2 . PHE D 1 125 ? 27.530 2.991 146.183 1.00 19.45 ? ? ? ? ? ? 124 PHE D CD2 1 +ATOM 6903 C CE1 . PHE D 1 125 ? 26.813 4.848 148.085 1.00 15.80 ? ? ? ? ? ? 124 PHE D CE1 1 +ATOM 6904 C CE2 . PHE D 1 125 ? 26.569 2.678 147.141 1.00 17.69 ? ? ? ? ? ? 124 PHE D CE2 1 +ATOM 6905 C CZ . PHE D 1 125 ? 26.217 3.603 148.095 1.00 15.47 ? ? ? ? ? ? 124 PHE D CZ 1 +ATOM 6906 N N . LYS D 1 126 ? 29.706 5.719 141.842 1.00 18.79 ? ? ? ? ? ? 125 LYS D N 1 +ATOM 6907 C CA . LYS D 1 126 ? 30.816 5.966 140.928 1.00 18.70 ? ? ? ? ? ? 125 LYS D CA 1 +ATOM 6908 C C . LYS D 1 126 ? 31.130 7.436 140.802 1.00 18.70 ? ? ? ? ? ? 125 LYS D C 1 +ATOM 6909 O O . LYS D 1 126 ? 32.291 7.808 140.848 1.00 20.20 ? ? ? ? ? ? 125 LYS D O 1 +ATOM 6910 C CB . LYS D 1 126 ? 30.582 5.340 139.534 1.00 19.60 ? ? ? ? ? ? 125 LYS D CB 1 +ATOM 6911 C CG . LYS D 1 126 ? 30.477 3.853 139.553 1.00 18.01 ? ? ? ? ? ? 125 LYS D CG 1 +ATOM 6912 C CD . LYS D 1 126 ? 30.401 3.260 138.181 1.00 24.63 ? ? ? ? ? ? 125 LYS D CD 1 +ATOM 6913 C CE . LYS D 1 126 ? 30.112 1.761 138.271 1.00 26.39 ? ? ? ? ? ? 125 LYS D CE 1 +ATOM 6914 N NZ . LYS D 1 126 ? 29.916 1.257 136.912 1.00 32.21 ? ? ? ? ? ? 125 LYS D NZ 1 +ATOM 6915 N N . GLY D 1 127 ? 30.103 8.273 140.694 1.00 17.92 ? ? ? ? ? ? 126 GLY D N 1 +ATOM 6916 C CA . GLY D 1 127 ? 30.296 9.725 140.690 1.00 18.06 ? ? ? ? ? ? 126 GLY D CA 1 +ATOM 6917 C C . GLY D 1 127 ? 30.956 10.262 141.961 1.00 19.87 ? ? ? ? ? ? 126 GLY D C 1 +ATOM 6918 O O . GLY D 1 127 ? 31.884 11.104 141.925 1.00 17.69 ? ? ? ? ? ? 126 GLY D O 1 +ATOM 6919 N N . MSE D 1 128 ? 30.465 9.796 143.106 1.00 20.03 ? ? ? ? ? ? 127 MSE D N 1 +ATOM 6920 C CA . MSE D 1 128 ? 31.008 10.249 144.396 1.00 19.77 ? ? ? ? ? ? 127 MSE D CA 1 +ATOM 6921 C C . MSE D 1 128 ? 32.462 9.830 144.509 1.00 18.15 ? ? ? ? ? ? 127 MSE D C 1 +ATOM 6922 O O . MSE D 1 128 ? 33.322 10.599 144.970 1.00 17.38 ? ? ? ? ? ? 127 MSE D O 1 +ATOM 6923 C CB . MSE D 1 128 ? 30.250 9.596 145.571 1.00 21.33 ? ? ? ? ? ? 127 MSE D CB 1 +ATOM 6924 C CG . MSE D 1 128 ? 28.793 10.035 145.712 1.00 23.77 ? ? ? ? ? ? 127 MSE D CG 1 +ATOM 6925 SE SE . MSE D 1 128 ? 27.957 9.084 147.156 0.75 19.43 ? ? ? ? ? ? 127 MSE D SE 1 +ATOM 6926 C CE . MSE D 1 128 ? 26.161 8.783 146.353 1.00 16.32 ? ? ? ? ? ? 127 MSE D CE 1 +ATOM 6927 N N . ILE D 1 129 ? 32.718 8.595 144.137 1.00 18.07 ? ? ? ? ? ? 128 ILE D N 1 +ATOM 6928 C CA . ILE D 1 129 ? 34.058 8.048 144.180 1.00 18.07 ? ? ? ? ? ? 128 ILE D CA 1 +ATOM 6929 C C . ILE D 1 129 ? 34.991 8.836 143.243 1.00 17.84 ? ? ? ? ? ? 128 ILE D C 1 +ATOM 6930 O O . ILE D 1 129 ? 36.122 9.122 143.615 1.00 18.19 ? ? ? ? ? ? 128 ILE D O 1 +ATOM 6931 C CB . ILE D 1 129 ? 34.044 6.553 143.876 1.00 17.43 ? ? ? ? ? ? 128 ILE D CB 1 +ATOM 6932 C CG1 . ILE D 1 129 ? 33.512 5.760 145.060 1.00 16.40 ? ? ? ? ? ? 128 ILE D CG1 1 +ATOM 6933 C CG2 . ILE D 1 129 ? 35.448 6.002 143.541 1.00 14.69 ? ? ? ? ? ? 128 ILE D CG2 1 +ATOM 6934 C CD1 . ILE D 1 129 ? 33.160 4.272 144.641 1.00 18.12 ? ? ? ? ? ? 128 ILE D CD1 1 +ATOM 6935 N N . ARG D 1 130 ? 34.521 9.218 142.061 1.00 17.58 ? ? ? ? ? ? 129 ARG D N 1 +ATOM 6936 C CA . ARG D 1 130 ? 35.325 10.032 141.140 1.00 18.40 ? ? ? ? ? ? 129 ARG D CA 1 +ATOM 6937 C C . ARG D 1 130 ? 35.714 11.346 141.782 1.00 19.09 ? ? ? ? ? ? 129 ARG D C 1 +ATOM 6938 O O . ARG D 1 130 ? 36.882 11.744 141.773 1.00 19.97 ? ? ? ? ? ? 129 ARG D O 1 +ATOM 6939 C CB . ARG D 1 130 ? 34.587 10.290 139.814 1.00 18.85 ? ? ? ? ? ? 129 ARG D CB 1 +ATOM 6940 C CG . ARG D 1 130 ? 34.588 9.084 138.891 1.00 19.16 ? ? ? ? ? ? 129 ARG D CG 1 +ATOM 6941 C CD . ARG D 1 130 ? 34.121 9.390 137.521 1.00 20.66 ? ? ? ? ? ? 129 ARG D CD 1 +ATOM 6942 N NE . ARG D 1 130 ? 34.464 8.284 136.640 1.00 20.19 ? ? ? ? ? ? 129 ARG D NE 1 +ATOM 6943 C CZ . ARG D 1 130 ? 33.664 7.276 136.344 1.00 22.22 ? ? ? ? ? ? 129 ARG D CZ 1 +ATOM 6944 N NH1 . ARG D 1 130 ? 32.417 7.236 136.801 1.00 25.50 ? ? ? ? ? ? 129 ARG D NH1 1 +ATOM 6945 N NH2 . ARG D 1 130 ? 34.106 6.312 135.562 1.00 24.21 ? ? ? ? ? ? 129 ARG D NH2 1 +ATOM 6946 N N . ASP D 1 131 ? 34.730 12.015 142.347 1.00 18.76 ? ? ? ? ? ? 130 ASP D N 1 +ATOM 6947 C CA . ASP D 1 131 ? 34.964 13.317 142.926 1.00 19.18 ? ? ? ? ? ? 130 ASP D CA 1 +ATOM 6948 C C . ASP D 1 131 ? 35.872 13.280 144.149 1.00 19.46 ? ? ? ? ? ? 130 ASP D C 1 +ATOM 6949 O O . ASP D 1 131 ? 36.705 14.182 144.338 1.00 20.08 ? ? ? ? ? ? 130 ASP D O 1 +ATOM 6950 C CB . ASP D 1 131 ? 33.632 13.986 143.231 1.00 20.20 ? ? ? ? ? ? 130 ASP D CB 1 +ATOM 6951 C CG . ASP D 1 131 ? 32.862 14.395 141.966 1.00 22.06 ? ? ? ? ? ? 130 ASP D CG 1 +ATOM 6952 O OD1 . ASP D 1 131 ? 33.441 14.489 140.865 1.00 20.99 ? ? ? ? ? ? 130 ASP D OD1 1 +ATOM 6953 O OD2 . ASP D 1 131 ? 31.656 14.657 142.106 1.00 25.43 ? ? ? ? ? ? 130 ASP D OD2 1 +ATOM 6954 N N . LEU D 1 132 ? 35.765 12.212 144.936 1.00 19.26 ? ? ? ? ? ? 131 LEU D N 1 +ATOM 6955 C CA . LEU D 1 132 ? 36.620 12.036 146.101 1.00 19.82 ? ? ? ? ? ? 131 LEU D CA 1 +ATOM 6956 C C . LEU D 1 132 ? 38.063 11.614 145.798 1.00 20.51 ? ? ? ? ? ? 131 LEU D C 1 +ATOM 6957 O O . LEU D 1 132 ? 38.939 11.833 146.631 1.00 21.08 ? ? ? ? ? ? 131 LEU D O 1 +ATOM 6958 C CB . LEU D 1 132 ? 35.973 11.048 147.101 1.00 22.24 ? ? ? ? ? ? 131 LEU D CB 1 +ATOM 6959 C CG . LEU D 1 132 ? 34.792 11.590 147.946 1.00 20.18 ? ? ? ? ? ? 131 LEU D CG 1 +ATOM 6960 C CD1 . LEU D 1 132 ? 33.882 10.439 148.474 1.00 20.27 ? ? ? ? ? ? 131 LEU D CD1 1 +ATOM 6961 C CD2 . LEU D 1 132 ? 35.362 12.402 149.051 1.00 15.98 ? ? ? ? ? ? 131 LEU D CD2 1 +ATOM 6962 N N . ALA D 1 133 ? 38.293 10.991 144.646 1.00 20.86 ? ? ? ? ? ? 132 ALA D N 1 +ATOM 6963 C CA . ALA D 1 133 ? 39.604 10.568 144.196 1.00 21.77 ? ? ? ? ? ? 132 ALA D CA 1 +ATOM 6964 C C . ALA D 1 133 ? 40.478 11.773 143.947 1.00 22.13 ? ? ? ? ? ? 132 ALA D C 1 +ATOM 6965 O O . ALA D 1 133 ? 41.663 11.718 144.151 1.00 23.44 ? ? ? ? ? ? 132 ALA D O 1 +ATOM 6966 C CB . ALA D 1 133 ? 39.511 9.701 142.917 1.00 18.93 ? ? ? ? ? ? 132 ALA D CB 1 +ATOM 6967 N N . PHE D 1 134 ? 39.870 12.866 143.513 1.00 24.17 ? ? ? ? ? ? 133 PHE D N 1 +ATOM 6968 C CA . PHE D 1 134 ? 40.583 14.120 143.291 1.00 25.27 ? ? ? ? ? ? 133 PHE D CA 1 +ATOM 6969 C C . PHE D 1 134 ? 40.793 14.884 144.591 1.00 26.23 ? ? ? ? ? ? 133 PHE D C 1 +ATOM 6970 O O . PHE D 1 134 ? 41.798 15.573 144.739 1.00 27.74 ? ? ? ? ? ? 133 PHE D O 1 +ATOM 6971 C CB . PHE D 1 134 ? 39.848 14.991 142.262 1.00 24.74 ? ? ? ? ? ? 133 PHE D CB 1 +ATOM 6972 C CG . PHE D 1 134 ? 39.823 14.394 140.872 1.00 27.19 ? ? ? ? ? ? 133 PHE D CG 1 +ATOM 6973 C CD1 . PHE D 1 134 ? 41.011 14.032 140.224 1.00 26.62 ? ? ? ? ? ? 133 PHE D CD1 1 +ATOM 6974 C CD2 . PHE D 1 134 ? 38.622 14.183 140.211 1.00 24.59 ? ? ? ? ? ? 133 PHE D CD2 1 +ATOM 6975 C CE1 . PHE D 1 134 ? 40.998 13.479 138.949 1.00 26.50 ? ? ? ? ? ? 133 PHE D CE1 1 +ATOM 6976 C CE2 . PHE D 1 134 ? 38.603 13.609 138.940 1.00 25.91 ? ? ? ? ? ? 133 PHE D CE2 1 +ATOM 6977 C CZ . PHE D 1 134 ? 39.791 13.266 138.299 1.00 24.17 ? ? ? ? ? ? 133 PHE D CZ 1 +ATOM 6978 N N . GLU D 1 135 ? 39.862 14.767 145.530 1.00 26.83 ? ? ? ? ? ? 134 GLU D N 1 +ATOM 6979 C CA . GLU D 1 135 ? 40.002 15.389 146.850 1.00 27.37 ? ? ? ? ? ? 134 GLU D CA 1 +ATOM 6980 C C . GLU D 1 135 ? 41.008 14.689 147.756 1.00 25.73 ? ? ? ? ? ? 134 GLU D C 1 +ATOM 6981 O O . GLU D 1 135 ? 41.693 15.337 148.536 1.00 24.60 ? ? ? ? ? ? 134 GLU D O 1 +ATOM 6982 C CB . GLU D 1 135 ? 38.683 15.331 147.608 1.00 30.12 ? ? ? ? ? ? 134 GLU D CB 1 +ATOM 6983 C CG . GLU D 1 135 ? 37.616 16.336 147.229 1.00 42.60 ? ? ? ? ? ? 134 GLU D CG 1 +ATOM 6984 C CD . GLU D 1 135 ? 36.656 16.498 148.383 1.00 56.15 ? ? ? ? ? ? 134 GLU D CD 1 +ATOM 6985 O OE1 . GLU D 1 135 ? 37.093 17.106 149.400 1.00 52.04 ? ? ? ? ? ? 134 GLU D OE1 1 +ATOM 6986 O OE2 . GLU D 1 135 ? 35.509 15.977 148.293 1.00 63.36 ? ? ? ? ? ? 134 GLU D OE2 1 +ATOM 6987 N N . TYR D 1 136 ? 41.004 13.364 147.710 1.00 23.22 ? ? ? ? ? ? 135 TYR D N 1 +ATOM 6988 C CA . TYR D 1 136 ? 41.831 12.524 148.576 1.00 22.35 ? ? ? ? ? ? 135 TYR D CA 1 +ATOM 6989 C C . TYR D 1 136 ? 42.558 11.530 147.700 1.00 22.76 ? ? ? ? ? ? 135 TYR D C 1 +ATOM 6990 O O . TYR D 1 136 ? 42.145 10.389 147.610 1.00 20.70 ? ? ? ? ? ? 135 TYR D O 1 +ATOM 6991 C CB . TYR D 1 136 ? 40.936 11.773 149.590 1.00 22.16 ? ? ? ? ? ? 135 TYR D CB 1 +ATOM 6992 C CG . TYR D 1 136 ? 40.154 12.675 150.564 1.00 20.54 ? ? ? ? ? ? 135 TYR D CG 1 +ATOM 6993 C CD1 . TYR D 1 136 ? 40.712 13.107 151.761 1.00 23.43 ? ? ? ? ? ? 135 TYR D CD1 1 +ATOM 6994 C CD2 . TYR D 1 136 ? 38.865 13.077 150.275 1.00 22.29 ? ? ? ? ? ? 135 TYR D CD2 1 +ATOM 6995 C CE1 . TYR D 1 136 ? 40.012 13.933 152.618 1.00 24.10 ? ? ? ? ? ? 135 TYR D CE1 1 +ATOM 6996 C CE2 . TYR D 1 136 ? 38.152 13.873 151.133 1.00 21.61 ? ? ? ? ? ? 135 TYR D CE2 1 +ATOM 6997 C CZ . TYR D 1 136 ? 38.719 14.291 152.302 1.00 24.16 ? ? ? ? ? ? 135 TYR D CZ 1 +ATOM 6998 O OH . TYR D 1 136 ? 37.977 15.089 153.135 1.00 22.38 ? ? ? ? ? ? 135 TYR D OH 1 +ATOM 6999 N N . PRO D 1 137 ? 43.596 11.974 146.974 1.00 24.78 ? ? ? ? ? ? 136 PRO D N 1 +ATOM 7000 C CA . PRO D 1 137 ? 44.262 11.102 145.985 1.00 25.53 ? ? ? ? ? ? 136 PRO D CA 1 +ATOM 7001 C C . PRO D 1 137 ? 44.997 9.890 146.565 1.00 25.52 ? ? ? ? ? ? 136 PRO D C 1 +ATOM 7002 O O . PRO D 1 137 ? 45.375 8.987 145.836 1.00 26.61 ? ? ? ? ? ? 136 PRO D O 1 +ATOM 7003 C CB . PRO D 1 137 ? 45.256 12.037 145.282 1.00 26.84 ? ? ? ? ? ? 136 PRO D CB 1 +ATOM 7004 C CG . PRO D 1 137 ? 45.304 13.293 146.058 1.00 25.79 ? ? ? ? ? ? 136 PRO D CG 1 +ATOM 7005 C CD . PRO D 1 137 ? 44.143 13.347 146.989 1.00 26.66 ? ? ? ? ? ? 136 PRO D CD 1 +ATOM 7006 N N . ASP D 1 138 ? 45.191 9.880 147.874 1.00 25.49 ? ? ? ? ? ? 137 ASP D N 1 +ATOM 7007 C CA . ASP D 1 138 ? 45.872 8.789 148.544 1.00 25.63 ? ? ? ? ? ? 137 ASP D CA 1 +ATOM 7008 C C . ASP D 1 138 ? 44.904 7.832 149.217 1.00 24.31 ? ? ? ? ? ? 137 ASP D C 1 +ATOM 7009 O O . ASP D 1 138 ? 45.340 6.952 149.912 1.00 23.17 ? ? ? ? ? ? 137 ASP D O 1 +ATOM 7010 C CB . ASP D 1 138 ? 46.874 9.341 149.568 1.00 27.23 ? ? ? ? ? ? 137 ASP D CB 1 +ATOM 7011 C CG . ASP D 1 138 ? 46.238 10.297 150.624 1.00 32.83 ? ? ? ? ? ? 137 ASP D CG 1 +ATOM 7012 O OD1 . ASP D 1 138 ? 45.107 10.830 150.442 1.00 31.36 ? ? ? ? ? ? 137 ASP D OD1 1 +ATOM 7013 O OD2 . ASP D 1 138 ? 46.922 10.541 151.644 1.00 42.76 ? ? ? ? ? ? 137 ASP D OD2 1 +ATOM 7014 N N . PHE D 1 139 ? 43.598 8.039 149.014 1.00 22.86 ? ? ? ? ? ? 138 PHE D N 1 +ATOM 7015 C CA . PHE D 1 139 ? 42.536 7.258 149.667 1.00 21.34 ? ? ? ? ? ? 138 PHE D CA 1 +ATOM 7016 C C . PHE D 1 139 ? 41.788 6.434 148.596 1.00 21.03 ? ? ? ? ? ? 138 PHE D C 1 +ATOM 7017 O O . PHE D 1 139 ? 41.109 6.999 147.735 1.00 21.04 ? ? ? ? ? ? 138 PHE D O 1 +ATOM 7018 C CB . PHE D 1 139 ? 41.591 8.210 150.423 1.00 21.54 ? ? ? ? ? ? 138 PHE D CB 1 +ATOM 7019 C CG . PHE D 1 139 ? 40.687 7.539 151.438 1.00 21.04 ? ? ? ? ? ? 138 PHE D CG 1 +ATOM 7020 C CD1 . PHE D 1 139 ? 39.513 6.937 151.063 1.00 29.99 ? ? ? ? ? ? 138 PHE D CD1 1 +ATOM 7021 C CD2 . PHE D 1 139 ? 40.983 7.569 152.780 1.00 24.94 ? ? ? ? ? ? 138 PHE D CD2 1 +ATOM 7022 C CE1 . PHE D 1 139 ? 38.691 6.352 152.015 1.00 28.14 ? ? ? ? ? ? 138 PHE D CE1 1 +ATOM 7023 C CE2 . PHE D 1 139 ? 40.164 6.986 153.716 1.00 21.81 ? ? ? ? ? ? 138 PHE D CE2 1 +ATOM 7024 C CZ . PHE D 1 139 ? 39.039 6.381 153.352 1.00 20.74 ? ? ? ? ? ? 138 PHE D CZ 1 +ATOM 7025 N N . LEU D 1 140 ? 41.980 5.109 148.611 1.00 21.19 ? ? ? ? ? ? 139 LEU D N 1 +ATOM 7026 C CA . LEU D 1 140 ? 41.313 4.200 147.676 1.00 21.16 ? ? ? ? ? ? 139 LEU D CA 1 +ATOM 7027 C C . LEU D 1 140 ? 39.889 3.898 148.138 1.00 21.23 ? ? ? ? ? ? 139 LEU D C 1 +ATOM 7028 O O . LEU D 1 140 ? 39.694 3.433 149.275 1.00 21.71 ? ? ? ? ? ? 139 LEU D O 1 +ATOM 7029 C CB . LEU D 1 140 ? 42.067 2.878 147.584 1.00 23.97 ? ? ? ? ? ? 139 LEU D CB 1 +ATOM 7030 C CG . LEU D 1 140 ? 41.422 1.761 146.739 1.00 21.71 ? ? ? ? ? ? 139 LEU D CG 1 +ATOM 7031 C CD1 . LEU D 1 140 ? 41.275 2.222 145.274 1.00 20.88 ? ? ? ? ? ? 139 LEU D CD1 1 +ATOM 7032 C CD2 . LEU D 1 140 ? 42.171 0.425 146.869 1.00 21.56 ? ? ? ? ? ? 139 LEU D CD2 1 +ATOM 7033 N N . ILE D 1 141 ? 38.907 4.168 147.273 1.00 19.57 ? ? ? ? ? ? 140 ILE D N 1 +ATOM 7034 C CA . ILE D 1 141 ? 37.531 3.737 147.515 1.00 19.29 ? ? ? ? ? ? 140 ILE D CA 1 +ATOM 7035 C C . ILE D 1 141 ? 37.041 2.818 146.393 1.00 19.13 ? ? ? ? ? ? 140 ILE D C 1 +ATOM 7036 O O . ILE D 1 141 ? 37.113 3.184 145.218 1.00 19.08 ? ? ? ? ? ? 140 ILE D O 1 +ATOM 7037 C CB . ILE D 1 141 ? 36.532 4.905 147.647 1.00 17.89 ? ? ? ? ? ? 140 ILE D CB 1 +ATOM 7038 C CG1 . ILE D 1 141 ? 37.031 5.999 148.594 1.00 21.06 ? ? ? ? ? ? 140 ILE D CG1 1 +ATOM 7039 C CG2 . ILE D 1 141 ? 35.194 4.387 148.145 1.00 17.69 ? ? ? ? ? ? 140 ILE D CG2 1 +ATOM 7040 C CD1 . ILE D 1 141 ? 36.103 7.282 148.572 1.00 15.65 ? ? ? ? ? ? 140 ILE D CD1 1 +ATOM 7041 N N . ALA D 1 142 ? 36.568 1.639 146.776 1.00 18.67 ? ? ? ? ? ? 141 ALA D N 1 +ATOM 7042 C CA . ALA D 1 142 ? 35.953 0.670 145.890 1.00 17.99 ? ? ? ? ? ? 141 ALA D CA 1 +ATOM 7043 C C . ALA D 1 142 ? 34.478 0.541 146.280 1.00 18.07 ? ? ? ? ? ? 141 ALA D C 1 +ATOM 7044 O O . ALA D 1 142 ? 34.107 0.860 147.409 1.00 18.95 ? ? ? ? ? ? 141 ALA D O 1 +ATOM 7045 C CB . ALA D 1 142 ? 36.695 -0.700 145.969 1.00 15.44 ? ? ? ? ? ? 141 ALA D CB 1 +ATOM 7046 N N . ALA D 1 143 ? 33.632 0.152 145.339 1.00 17.46 ? ? ? ? ? ? 142 ALA D N 1 +ATOM 7047 C CA . ALA D 1 143 ? 32.214 -0.106 145.590 1.00 17.95 ? ? ? ? ? ? 142 ALA D CA 1 +ATOM 7048 C C . ALA D 1 143 ? 31.808 -1.445 144.993 1.00 19.19 ? ? ? ? ? ? 142 ALA D C 1 +ATOM 7049 O O . ALA D 1 143 ? 32.223 -1.754 143.876 1.00 19.38 ? ? ? ? ? ? 142 ALA D O 1 +ATOM 7050 C CB . ALA D 1 143 ? 31.373 0.953 144.980 1.00 14.29 ? ? ? ? ? ? 142 ALA D CB 1 +ATOM 7051 N N . ALA D 1 144 ? 30.969 -2.201 145.715 1.00 19.85 ? ? ? ? ? ? 143 ALA D N 1 +ATOM 7052 C CA . ALA D 1 144 ? 30.296 -3.420 145.196 1.00 20.48 ? ? ? ? ? ? 143 ALA D CA 1 +ATOM 7053 C C . ALA D 1 144 ? 28.876 -3.598 145.719 1.00 20.58 ? ? ? ? ? ? 143 ALA D C 1 +ATOM 7054 O O . ALA D 1 144 ? 28.567 -3.241 146.844 1.00 19.16 ? ? ? ? ? ? 143 ALA D O 1 +ATOM 7055 C CB . ALA D 1 144 ? 31.067 -4.629 145.559 1.00 19.86 ? ? ? ? ? ? 143 ALA D CB 1 +ATOM 7056 N N . ASN D 1 145 ? 28.006 -4.172 144.891 1.00 20.89 ? ? ? ? ? ? 144 ASN D N 1 +ATOM 7057 C CA . ASN D 1 145 ? 26.745 -4.716 145.382 1.00 21.70 ? ? ? ? ? ? 144 ASN D CA 1 +ATOM 7058 C C . ASN D 1 145 ? 26.995 -6.160 145.777 1.00 21.15 ? ? ? ? ? ? 144 ASN D C 1 +ATOM 7059 O O . ASN D 1 145 ? 27.475 -6.932 144.953 1.00 20.90 ? ? ? ? ? ? 144 ASN D O 1 +ATOM 7060 C CB . ASN D 1 145 ? 25.652 -4.646 144.311 1.00 21.80 ? ? ? ? ? ? 144 ASN D CB 1 +ATOM 7061 C CG . ASN D 1 145 ? 25.212 -3.196 143.995 1.00 27.31 ? ? ? ? ? ? 144 ASN D CG 1 +ATOM 7062 O OD1 . ASN D 1 145 ? 24.790 -2.445 144.883 1.00 29.64 ? ? ? ? ? ? 144 ASN D OD1 1 +ATOM 7063 N ND2 . ASN D 1 145 ? 25.281 -2.819 142.719 1.00 21.60 ? ? ? ? ? ? 144 ASN D ND2 1 +ATOM 7064 N N . TRP D 1 146 ? 26.632 -6.531 147.007 1.00 19.74 ? ? ? ? ? ? 145 TRP D N 1 +ATOM 7065 C CA . TRP D 1 146 ? 26.873 -7.896 147.475 1.00 20.33 ? ? ? ? ? ? 145 TRP D CA 1 +ATOM 7066 C C . TRP D 1 146 ? 26.178 -8.923 146.591 1.00 20.08 ? ? ? ? ? ? 145 TRP D C 1 +ATOM 7067 O O . TRP D 1 146 ? 26.695 -9.999 146.343 1.00 20.49 ? ? ? ? ? ? 145 TRP D O 1 +ATOM 7068 C CB . TRP D 1 146 ? 26.476 -8.056 148.947 1.00 19.05 ? ? ? ? ? ? 145 TRP D CB 1 +ATOM 7069 C CG . TRP D 1 146 ? 24.990 -8.147 149.173 1.00 18.57 ? ? ? ? ? ? 145 TRP D CG 1 +ATOM 7070 C CD1 . TRP D 1 146 ? 24.140 -7.126 149.537 1.00 16.82 ? ? ? ? ? ? 145 TRP D CD1 1 +ATOM 7071 C CD2 . TRP D 1 146 ? 24.187 -9.320 149.068 1.00 20.41 ? ? ? ? ? ? 145 TRP D CD2 1 +ATOM 7072 N NE1 . TRP D 1 146 ? 22.867 -7.599 149.669 1.00 18.79 ? ? ? ? ? ? 145 TRP D NE1 1 +ATOM 7073 C CE2 . TRP D 1 146 ? 22.852 -8.937 149.367 1.00 18.26 ? ? ? ? ? ? 145 TRP D CE2 1 +ATOM 7074 C CE3 . TRP D 1 146 ? 24.456 -10.656 148.719 1.00 19.50 ? ? ? ? ? ? 145 TRP D CE3 1 +ATOM 7075 C CZ2 . TRP D 1 146 ? 21.800 -9.834 149.332 1.00 19.14 ? ? ? ? ? ? 145 TRP D CZ2 1 +ATOM 7076 C CZ3 . TRP D 1 146 ? 23.410 -11.552 148.678 1.00 17.34 ? ? ? ? ? ? 145 TRP D CZ3 1 +ATOM 7077 C CH2 . TRP D 1 146 ? 22.087 -11.138 148.991 1.00 21.48 ? ? ? ? ? ? 145 TRP D CH2 1 +ATOM 7078 N N . PHE D 1 147 ? 25.000 -8.566 146.093 1.00 21.34 ? ? ? ? ? ? 146 PHE D N 1 +ATOM 7079 C CA . PHE D 1 147 ? 24.197 -9.454 145.277 1.00 21.14 ? ? ? ? ? ? 146 PHE D CA 1 +ATOM 7080 C C . PHE D 1 147 ? 24.672 -9.583 143.815 1.00 21.65 ? ? ? ? ? ? 146 PHE D C 1 +ATOM 7081 O O . PHE D 1 147 ? 24.038 -10.269 143.045 1.00 23.27 ? ? ? ? ? ? 146 PHE D O 1 +ATOM 7082 C CB . PHE D 1 147 ? 22.724 -9.054 145.349 1.00 20.89 ? ? ? ? ? ? 146 PHE D CB 1 +ATOM 7083 C CG . PHE D 1 147 ? 22.487 -7.643 145.004 1.00 22.73 ? ? ? ? ? ? 146 PHE D CG 1 +ATOM 7084 C CD1 . PHE D 1 147 ? 22.270 -7.267 143.699 1.00 25.24 ? ? ? ? ? ? 146 PHE D CD1 1 +ATOM 7085 C CD2 . PHE D 1 147 ? 22.516 -6.667 145.982 1.00 23.19 ? ? ? ? ? ? 146 PHE D CD2 1 +ATOM 7086 C CE1 . PHE D 1 147 ? 22.081 -5.921 143.366 1.00 28.54 ? ? ? ? ? ? 146 PHE D CE1 1 +ATOM 7087 C CE2 . PHE D 1 147 ? 22.336 -5.350 145.662 1.00 26.13 ? ? ? ? ? ? 146 PHE D CE2 1 +ATOM 7088 C CZ . PHE D 1 147 ? 22.113 -4.970 144.352 1.00 27.32 ? ? ? ? ? ? 146 PHE D CZ 1 +ATOM 7089 N N . GLU D 1 148 ? 25.790 -8.955 143.452 1.00 21.52 ? ? ? ? ? ? 147 GLU D N 1 +ATOM 7090 C CA . GLU D 1 148 ? 26.368 -9.077 142.121 1.00 21.41 ? ? ? ? ? ? 147 GLU D CA 1 +ATOM 7091 C C . GLU D 1 148 ? 27.701 -9.801 142.152 1.00 22.35 ? ? ? ? ? ? 147 GLU D C 1 +ATOM 7092 O O . GLU D 1 148 ? 28.299 -10.034 141.100 1.00 23.73 ? ? ? ? ? ? 147 GLU D O 1 +ATOM 7093 C CB . GLU D 1 148 ? 26.547 -7.687 141.482 1.00 20.85 ? ? ? ? ? ? 147 GLU D CB 1 +ATOM 7094 C CG . GLU D 1 148 ? 25.238 -7.013 141.070 1.00 23.17 ? ? ? ? ? ? 147 GLU D CG 1 +ATOM 7095 C CD . GLU D 1 148 ? 25.411 -5.561 140.548 1.00 24.94 ? ? ? ? ? ? 147 GLU D CD 1 +ATOM 7096 O OE1 . GLU D 1 148 ? 26.470 -4.912 140.802 1.00 26.59 ? ? ? ? ? ? 147 GLU D OE1 1 +ATOM 7097 O OE2 . GLU D 1 148 ? 24.463 -5.083 139.894 1.00 28.26 ? ? ? ? ? ? 147 GLU D OE2 1 +ATOM 7098 N N . VAL D 1 149 ? 28.177 -10.155 143.340 1.00 23.12 ? ? ? ? ? ? 148 VAL D N 1 +ATOM 7099 C CA . VAL D 1 149 ? 29.471 -10.814 143.471 1.00 22.44 ? ? ? ? ? ? 148 VAL D CA 1 +ATOM 7100 C C . VAL D 1 149 ? 29.418 -12.216 142.846 1.00 23.92 ? ? ? ? ? ? 148 VAL D C 1 +ATOM 7101 O O . VAL D 1 149 ? 30.385 -12.669 142.253 1.00 22.45 ? ? ? ? ? ? 148 VAL D O 1 +ATOM 7102 C CB . VAL D 1 149 ? 29.926 -10.863 144.938 1.00 21.74 ? ? ? ? ? ? 148 VAL D CB 1 +ATOM 7103 C CG1 . VAL D 1 149 ? 31.199 -11.719 145.081 1.00 17.47 ? ? ? ? ? ? 148 VAL D CG1 1 +ATOM 7104 C CG2 . VAL D 1 149 ? 30.123 -9.418 145.474 1.00 15.35 ? ? ? ? ? ? 148 VAL D CG2 1 +ATOM 7105 N N . VAL D 1 150 ? 28.271 -12.884 143.002 1.00 23.37 ? ? ? ? ? ? 149 VAL D N 1 +ATOM 7106 C CA . VAL D 1 150 ? 28.053 -14.230 142.486 1.00 22.64 ? ? ? ? ? ? 149 VAL D CA 1 +ATOM 7107 C C . VAL D 1 150 ? 26.682 -14.276 141.774 1.00 24.12 ? ? ? ? ? ? 149 VAL D C 1 +ATOM 7108 O O . VAL D 1 150 ? 25.697 -13.774 142.278 1.00 23.53 ? ? ? ? ? ? 149 VAL D O 1 +ATOM 7109 C CB . VAL D 1 150 ? 28.128 -15.302 143.630 1.00 21.84 ? ? ? ? ? ? 149 VAL D CB 1 +ATOM 7110 C CG1 . VAL D 1 150 ? 27.793 -16.739 143.135 1.00 20.70 ? ? ? ? ? ? 149 VAL D CG1 1 +ATOM 7111 C CG2 . VAL D 1 150 ? 29.468 -15.308 144.247 1.00 20.36 ? ? ? ? ? ? 149 VAL D CG2 1 +ATOM 7112 N N . SER D 1 151 ? 26.646 -14.850 140.572 1.00 26.54 ? ? ? ? ? ? 150 SER D N 1 +ATOM 7113 C CA . SER D 1 151 ? 25.389 -15.057 139.838 1.00 29.18 ? ? ? ? ? ? 150 SER D CA 1 +ATOM 7114 C C . SER D 1 151 ? 24.426 -15.957 140.631 1.00 29.42 ? ? ? ? ? ? 150 SER D C 1 +ATOM 7115 O O . SER D 1 151 ? 24.852 -16.917 141.254 1.00 29.71 ? ? ? ? ? ? 150 SER D O 1 +ATOM 7116 C CB . SER D 1 151 ? 25.660 -15.720 138.470 1.00 28.88 ? ? ? ? ? ? 150 SER D CB 1 +ATOM 7117 O OG . SER D 1 151 ? 24.452 -16.145 137.834 1.00 31.34 ? ? ? ? ? ? 150 SER D OG 1 +ATOM 7118 N N . PRO D 1 152 ? 23.131 -15.648 140.609 1.00 31.35 ? ? ? ? ? ? 151 PRO D N 1 +ATOM 7119 C CA . PRO D 1 152 ? 22.166 -16.519 141.261 1.00 32.60 ? ? ? ? ? ? 151 PRO D CA 1 +ATOM 7120 C C . PRO D 1 152 ? 21.871 -17.845 140.503 1.00 34.00 ? ? ? ? ? ? 151 PRO D C 1 +ATOM 7121 O O . PRO D 1 152 ? 21.148 -18.688 141.030 1.00 33.44 ? ? ? ? ? ? 151 PRO D O 1 +ATOM 7122 C CB . PRO D 1 152 ? 20.911 -15.657 141.282 1.00 31.73 ? ? ? ? ? ? 151 PRO D CB 1 +ATOM 7123 C CG . PRO D 1 152 ? 21.018 -14.865 140.056 1.00 32.48 ? ? ? ? ? ? 151 PRO D CG 1 +ATOM 7124 C CD . PRO D 1 152 ? 22.467 -14.479 140.014 1.00 32.13 ? ? ? ? ? ? 151 PRO D CD 1 +ATOM 7125 N N . LYS D 1 153 ? 22.404 -18.021 139.280 1.00 27.70 ? ? ? ? ? ? 152 LYS D N 1 +ATOM 7126 C CA . LYS D 1 153 ? 22.113 -19.213 138.490 1.00 27.39 ? ? ? ? ? ? 152 LYS D CA 1 +ATOM 7127 C C . LYS D 1 153 ? 22.576 -20.503 139.201 1.00 24.72 ? ? ? ? ? ? 152 LYS D C 1 +ATOM 7128 O O . LYS D 1 153 ? 23.753 -20.658 139.646 1.00 22.51 ? ? ? ? ? ? 152 LYS D O 1 +ATOM 7129 C CB . LYS D 1 153 ? 22.715 -19.135 137.062 1.00 27.59 ? ? ? ? ? ? 152 LYS D CB 1 +ATOM 7130 C CG . LYS D 1 153 ? 22.506 -20.449 136.297 1.00 29.80 ? ? ? ? ? ? 152 LYS D CG 1 +ATOM 7131 C CD . LYS D 1 153 ? 23.014 -20.450 134.857 1.00 32.87 ? ? ? ? ? ? 152 LYS D CD 1 +ATOM 7132 C CE . LYS D 1 153 ? 22.246 -21.472 134.007 1.00 34.44 ? ? ? ? ? ? 152 LYS D CE 1 +ATOM 7133 N NZ . LYS D 1 153 ? 22.840 -21.580 132.636 1.00 42.62 ? ? ? ? ? ? 152 LYS D NZ 1 +ATOM 7134 N N . GLY D 1 154 ? 21.632 -21.422 139.327 1.00 22.89 ? ? ? ? ? ? 153 GLY D N 1 +ATOM 7135 C CA . GLY D 1 154 ? 21.870 -22.669 140.014 1.00 22.29 ? ? ? ? ? ? 153 GLY D CA 1 +ATOM 7136 C C . GLY D 1 154 ? 21.678 -22.577 141.504 1.00 24.63 ? ? ? ? ? ? 153 GLY D C 1 +ATOM 7137 O O . GLY D 1 154 ? 21.606 -23.625 142.154 1.00 26.59 ? ? ? ? ? ? 153 GLY D O 1 +ATOM 7138 N N . TYR D 1 155 ? 21.608 -21.355 142.056 1.00 28.55 ? ? ? ? ? ? 154 TYR D N 1 +ATOM 7139 C CA . TYR D 1 155 ? 21.340 -21.180 143.488 1.00 26.17 ? ? ? ? ? ? 154 TYR D CA 1 +ATOM 7140 C C . TYR D 1 155 ? 19.856 -20.997 143.778 1.00 25.06 ? ? ? ? ? ? 154 TYR D C 1 +ATOM 7141 O O . TYR D 1 155 ? 19.366 -21.471 144.793 1.00 26.34 ? ? ? ? ? ? 154 TYR D O 1 +ATOM 7142 C CB . TYR D 1 155 ? 22.157 -20.012 144.085 1.00 25.66 ? ? ? ? ? ? 154 TYR D CB 1 +ATOM 7143 C CG . TYR D 1 155 ? 23.634 -20.271 144.119 1.00 20.33 ? ? ? ? ? ? 154 TYR D CG 1 +ATOM 7144 C CD1 . TYR D 1 155 ? 24.189 -21.056 145.109 1.00 20.72 ? ? ? ? ? ? 154 TYR D CD1 1 +ATOM 7145 C CD2 . TYR D 1 155 ? 24.480 -19.727 143.166 1.00 19.73 ? ? ? ? ? ? 154 TYR D CD2 1 +ATOM 7146 C CE1 . TYR D 1 155 ? 25.564 -21.295 145.151 1.00 23.40 ? ? ? ? ? ? 154 TYR D CE1 1 +ATOM 7147 C CE2 . TYR D 1 155 ? 25.850 -19.945 143.208 1.00 20.96 ? ? ? ? ? ? 154 TYR D CE2 1 +ATOM 7148 C CZ . TYR D 1 155 ? 26.389 -20.740 144.191 1.00 23.42 ? ? ? ? ? ? 154 TYR D CZ 1 +ATOM 7149 O OH . TYR D 1 155 ? 27.738 -21.024 144.214 1.00 22.78 ? ? ? ? ? ? 154 TYR D OH 1 +ATOM 7150 N N . PHE D 1 156 ? 19.136 -20.322 142.899 1.00 25.08 ? ? ? ? ? ? 155 PHE D N 1 +ATOM 7151 C CA . PHE D 1 156 ? 17.717 -20.031 143.106 1.00 26.68 ? ? ? ? ? ? 155 PHE D CA 1 +ATOM 7152 C C . PHE D 1 156 ? 16.869 -20.425 141.902 1.00 29.25 ? ? ? ? ? ? 155 PHE D C 1 +ATOM 7153 O O . PHE D 1 156 ? 17.363 -20.474 140.778 1.00 30.76 ? ? ? ? ? ? 155 PHE D O 1 +ATOM 7154 C CB . PHE D 1 156 ? 17.560 -18.522 143.401 1.00 24.82 ? ? ? ? ? ? 155 PHE D CB 1 +ATOM 7155 C CG . PHE D 1 156 ? 18.358 -18.072 144.590 1.00 24.39 ? ? ? ? ? ? 155 PHE D CG 1 +ATOM 7156 C CD1 . PHE D 1 156 ? 17.987 -18.469 145.870 1.00 21.75 ? ? ? ? ? ? 155 PHE D CD1 1 +ATOM 7157 C CD2 . PHE D 1 156 ? 19.520 -17.322 144.426 1.00 22.65 ? ? ? ? ? ? 155 PHE D CD2 1 +ATOM 7158 C CE1 . PHE D 1 156 ? 18.733 -18.097 146.978 1.00 21.82 ? ? ? ? ? ? 155 PHE D CE1 1 +ATOM 7159 C CE2 . PHE D 1 156 ? 20.279 -16.960 145.503 1.00 23.73 ? ? ? ? ? ? 155 PHE D CE2 1 +ATOM 7160 C CZ . PHE D 1 156 ? 19.890 -17.335 146.793 1.00 25.03 ? ? ? ? ? ? 155 PHE D CZ 1 +ATOM 7161 N N . GLU D 1 157 ? 15.579 -20.640 142.136 1.00 31.33 ? ? ? ? ? ? 156 GLU D N 1 +ATOM 7162 C CA . GLU D 1 157 ? 14.682 -21.122 141.104 1.00 31.86 ? ? ? ? ? ? 156 GLU D CA 1 +ATOM 7163 C C . GLU D 1 157 ? 13.968 -20.009 140.357 1.00 34.00 ? ? ? ? ? ? 156 GLU D C 1 +ATOM 7164 O O . GLU D 1 157 ? 13.985 -20.026 139.147 1.00 34.70 ? ? ? ? ? ? 156 GLU D O 1 +ATOM 7165 C CB . GLU D 1 157 ? 13.651 -22.086 141.686 1.00 30.88 ? ? ? ? ? ? 156 GLU D CB 1 +ATOM 7166 C CG . GLU D 1 157 ? 14.283 -23.384 142.186 1.00 39.82 ? ? ? ? ? ? 156 GLU D CG 1 +ATOM 7167 C CD . GLU D 1 157 ? 13.308 -24.293 142.934 1.00 35.75 ? ? ? ? ? ? 156 GLU D CD 1 +ATOM 7168 O OE1 . GLU D 1 157 ? 12.245 -24.639 142.360 1.00 39.95 ? ? ? ? ? ? 156 GLU D OE1 1 +ATOM 7169 O OE2 . GLU D 1 157 ? 13.631 -24.639 144.094 1.00 45.02 ? ? ? ? ? ? 156 GLU D OE2 1 +ATOM 7170 N N . ALA D 1 158 ? 13.337 -19.061 141.069 1.00 34.90 ? ? ? ? ? ? 157 ALA D N 1 +ATOM 7171 C CA . ALA D 1 158 ? 12.584 -17.965 140.431 1.00 34.73 ? ? ? ? ? ? 157 ALA D CA 1 +ATOM 7172 C C . ALA D 1 158 ? 13.442 -17.261 139.390 1.00 35.78 ? ? ? ? ? ? 157 ALA D C 1 +ATOM 7173 O O . ALA D 1 158 ? 14.621 -16.977 139.617 1.00 35.19 ? ? ? ? ? ? 157 ALA D O 1 +ATOM 7174 C CB . ALA D 1 158 ? 12.063 -16.929 141.462 1.00 33.58 ? ? ? ? ? ? 157 ALA D CB 1 +ATOM 7175 N N . GLU D 1 159 ? 12.809 -16.975 138.260 1.00 37.86 ? ? ? ? ? ? 158 GLU D N 1 +ATOM 7176 C CA . GLU D 1 159 ? 13.447 -16.282 137.143 1.00 41.11 ? ? ? ? ? ? 158 GLU D CA 1 +ATOM 7177 C C . GLU D 1 159 ? 13.545 -14.783 137.428 1.00 37.86 ? ? ? ? ? ? 158 GLU D C 1 +ATOM 7178 O O . GLU D 1 159 ? 14.609 -14.198 137.288 1.00 38.08 ? ? ? ? ? ? 158 GLU D O 1 +ATOM 7179 C CB . GLU D 1 159 ? 12.637 -16.521 135.868 1.00 43.53 ? ? ? ? ? ? 158 GLU D CB 1 +ATOM 7180 C CG . GLU D 1 159 ? 13.481 -16.819 134.619 1.00 54.74 ? ? ? ? ? ? 158 GLU D CG 1 +ATOM 7181 C CD . GLU D 1 159 ? 12.719 -17.706 133.631 1.00 65.54 ? ? ? ? ? ? 158 GLU D CD 1 +ATOM 7182 O OE1 . GLU D 1 159 ? 12.766 -18.954 133.783 1.00 62.90 ? ? ? ? ? ? 158 GLU D OE1 1 +ATOM 7183 O OE2 . GLU D 1 159 ? 12.064 -17.146 132.719 1.00 67.30 ? ? ? ? ? ? 158 GLU D OE2 1 +ATOM 7184 N N . ILE D 1 160 ? 12.424 -14.185 137.820 1.00 35.28 ? ? ? ? ? ? 159 ILE D N 1 +ATOM 7185 C CA . ILE D 1 160 ? 12.389 -12.797 138.247 1.00 33.94 ? ? ? ? ? ? 159 ILE D CA 1 +ATOM 7186 C C . ILE D 1 160 ? 12.649 -12.776 139.751 1.00 32.71 ? ? ? ? ? ? 159 ILE D C 1 +ATOM 7187 O O . ILE D 1 160 ? 11.953 -13.438 140.546 1.00 30.80 ? ? ? ? ? ? 159 ILE D O 1 +ATOM 7188 C CB . ILE D 1 160 ? 11.040 -12.110 137.935 1.00 32.61 ? ? ? ? ? ? 159 ILE D CB 1 +ATOM 7189 C CG1 . ILE D 1 160 ? 10.690 -12.221 136.449 1.00 34.15 ? ? ? ? ? ? 159 ILE D CG1 1 +ATOM 7190 C CG2 . ILE D 1 160 ? 11.056 -10.620 138.376 1.00 28.83 ? ? ? ? ? ? 159 ILE D CG2 1 +ATOM 7191 C CD1 . ILE D 1 160 ? 9.174 -12.018 136.179 1.00 35.04 ? ? ? ? ? ? 159 ILE D CD1 1 +ATOM 7192 N N . ASP D 1 161 ? 13.655 -11.997 140.118 1.00 31.25 ? ? ? ? ? ? 160 ASP D N 1 +ATOM 7193 C CA . ASP D 1 161 ? 14.120 -11.870 141.482 1.00 32.35 ? ? ? ? ? ? 160 ASP D CA 1 +ATOM 7194 C C . ASP D 1 161 ? 14.936 -10.568 141.520 1.00 32.03 ? ? ? ? ? ? 160 ASP D C 1 +ATOM 7195 O O . ASP D 1 161 ? 16.169 -10.595 141.394 1.00 32.78 ? ? ? ? ? ? 160 ASP D O 1 +ATOM 7196 C CB . ASP D 1 161 ? 14.959 -13.089 141.846 1.00 32.80 ? ? ? ? ? ? 160 ASP D CB 1 +ATOM 7197 C CG . ASP D 1 161 ? 15.497 -13.043 143.262 1.00 35.98 ? ? ? ? ? ? 160 ASP D CG 1 +ATOM 7198 O OD1 . ASP D 1 161 ? 15.144 -12.119 144.027 1.00 38.19 ? ? ? ? ? ? 160 ASP D OD1 1 +ATOM 7199 O OD2 . ASP D 1 161 ? 16.299 -13.938 143.601 1.00 40.29 ? ? ? ? ? ? 160 ASP D OD2 1 +ATOM 7200 N N . ASP D 1 162 ? 14.224 -9.446 141.617 1.00 31.20 ? ? ? ? ? ? 161 ASP D N 1 +ATOM 7201 C CA . ASP D 1 162 ? 14.826 -8.125 141.586 1.00 30.65 ? ? ? ? ? ? 161 ASP D CA 1 +ATOM 7202 C C . ASP D 1 162 ? 14.818 -7.437 142.948 1.00 29.42 ? ? ? ? ? ? 161 ASP D C 1 +ATOM 7203 O O . ASP D 1 162 ? 15.702 -6.669 143.249 1.00 30.31 ? ? ? ? ? ? 161 ASP D O 1 +ATOM 7204 C CB . ASP D 1 162 ? 14.115 -7.235 140.545 1.00 32.40 ? ? ? ? ? ? 161 ASP D CB 1 +ATOM 7205 C CG . ASP D 1 162 ? 14.448 -7.643 139.087 1.00 37.24 ? ? ? ? ? ? 161 ASP D CG 1 +ATOM 7206 O OD1 . ASP D 1 162 ? 15.605 -8.070 138.825 1.00 42.05 ? ? ? ? ? ? 161 ASP D OD1 1 +ATOM 7207 O OD2 . ASP D 1 162 ? 13.539 -7.550 138.215 1.00 46.62 ? ? ? ? ? ? 161 ASP D OD2 1 +ATOM 7208 N N . HIS D 1 163 ? 13.829 -7.721 143.769 1.00 26.25 ? ? ? ? ? ? 162 HIS D N 1 +ATOM 7209 C CA . HIS D 1 163 ? 13.675 -7.034 145.022 1.00 23.71 ? ? ? ? ? ? 162 HIS D CA 1 +ATOM 7210 C C . HIS D 1 163 ? 12.816 -7.859 145.973 1.00 22.22 ? ? ? ? ? ? 162 HIS D C 1 +ATOM 7211 O O . HIS D 1 163 ? 11.665 -8.168 145.647 1.00 20.68 ? ? ? ? ? ? 162 HIS D O 1 +ATOM 7212 C CB . HIS D 1 163 ? 13.019 -5.692 144.772 1.00 22.48 ? ? ? ? ? ? 162 HIS D CB 1 +ATOM 7213 C CG . HIS D 1 163 ? 12.769 -4.912 146.021 1.00 24.37 ? ? ? ? ? ? 162 HIS D CG 1 +ATOM 7214 N ND1 . HIS D 1 163 ? 13.790 -4.414 146.796 1.00 22.79 ? ? ? ? ? ? 162 HIS D ND1 1 +ATOM 7215 C CD2 . HIS D 1 163 ? 11.615 -4.570 146.648 1.00 22.41 ? ? ? ? ? ? 162 HIS D CD2 1 +ATOM 7216 C CE1 . HIS D 1 163 ? 13.276 -3.778 147.838 1.00 27.65 ? ? ? ? ? ? 162 HIS D CE1 1 +ATOM 7217 N NE2 . HIS D 1 163 ? 11.957 -3.856 147.772 1.00 16.84 ? ? ? ? ? ? 162 HIS D NE2 1 +ATOM 7218 N N . ALA D 1 164 ? 13.360 -8.192 147.146 1.00 20.74 ? ? ? ? ? ? 163 ALA D N 1 +ATOM 7219 C CA . ALA D 1 164 ? 12.626 -8.953 148.150 1.00 21.41 ? ? ? ? ? ? 163 ALA D CA 1 +ATOM 7220 C C . ALA D 1 164 ? 12.136 -10.300 147.600 1.00 23.14 ? ? ? ? ? ? 163 ALA D C 1 +ATOM 7221 O O . ALA D 1 164 ? 11.092 -10.791 147.996 1.00 23.15 ? ? ? ? ? ? 163 ALA D O 1 +ATOM 7222 C CB . ALA D 1 164 ? 11.440 -8.132 148.679 1.00 18.67 ? ? ? ? ? ? 163 ALA D CB 1 +ATOM 7223 N N . GLY D 1 165 ? 12.903 -10.886 146.671 1.00 23.69 ? ? ? ? ? ? 164 GLY D N 1 +ATOM 7224 C CA . GLY D 1 165 ? 12.542 -12.139 146.031 1.00 23.52 ? ? ? ? ? ? 164 GLY D CA 1 +ATOM 7225 C C . GLY D 1 165 ? 13.220 -13.295 146.700 1.00 23.34 ? ? ? ? ? ? 164 GLY D C 1 +ATOM 7226 O O . GLY D 1 165 ? 13.523 -13.252 147.901 1.00 23.18 ? ? ? ? ? ? 164 GLY D O 1 +ATOM 7227 N N . GLU D 1 166 ? 13.460 -14.350 145.926 1.00 22.60 ? ? ? ? ? ? 165 GLU D N 1 +ATOM 7228 C CA . GLU D 1 166 ? 13.931 -15.590 146.491 1.00 22.52 ? ? ? ? ? ? 165 GLU D CA 1 +ATOM 7229 C C . GLU D 1 166 ? 15.342 -15.458 147.080 1.00 22.26 ? ? ? ? ? ? 165 GLU D C 1 +ATOM 7230 O O . GLU D 1 166 ? 15.629 -16.038 148.125 1.00 22.96 ? ? ? ? ? ? 165 GLU D O 1 +ATOM 7231 C CB . GLU D 1 166 ? 13.895 -16.705 145.429 1.00 23.06 ? ? ? ? ? ? 165 GLU D CB 1 +ATOM 7232 C CG . GLU D 1 166 ? 14.276 -18.081 145.966 1.00 24.05 ? ? ? ? ? ? 165 GLU D CG 1 +ATOM 7233 C CD . GLU D 1 166 ? 14.202 -19.194 144.903 1.00 24.37 ? ? ? ? ? ? 165 GLU D CD 1 +ATOM 7234 O OE1 . GLU D 1 166 ? 13.346 -19.112 144.001 1.00 25.76 ? ? ? ? ? ? 165 GLU D OE1 1 +ATOM 7235 O OE2 . GLU D 1 166 ? 14.968 -20.170 145.000 1.00 22.83 ? ? ? ? ? ? 165 GLU D OE2 1 +ATOM 7236 N N . SER D 1 167 ? 16.240 -14.729 146.413 1.00 22.26 ? ? ? ? ? ? 166 SER D N 1 +ATOM 7237 C CA . SER D 1 167 ? 17.602 -14.623 146.895 1.00 22.78 ? ? ? ? ? ? 166 SER D CA 1 +ATOM 7238 C C . SER D 1 167 ? 17.710 -13.792 148.196 1.00 22.90 ? ? ? ? ? ? 166 SER D C 1 +ATOM 7239 O O . SER D 1 167 ? 18.327 -14.224 149.174 1.00 24.50 ? ? ? ? ? ? 166 SER D O 1 +ATOM 7240 C CB . SER D 1 167 ? 18.582 -14.150 145.791 1.00 24.06 ? ? ? ? ? ? 166 SER D CB 1 +ATOM 7241 O OG . SER D 1 167 ? 18.188 -12.963 145.147 1.00 25.91 ? ? ? ? ? ? 166 SER D OG 1 +ATOM 7242 N N . GLU D 1 168 ? 17.113 -12.612 148.227 1.00 23.36 ? ? ? ? ? ? 167 GLU D N 1 +ATOM 7243 C CA . GLU D 1 168 ? 17.145 -11.826 149.450 1.00 22.96 ? ? ? ? ? ? 167 GLU D CA 1 +ATOM 7244 C C . GLU D 1 168 ? 16.413 -12.551 150.595 1.00 20.81 ? ? ? ? ? ? 167 GLU D C 1 +ATOM 7245 O O . GLU D 1 168 ? 16.838 -12.472 151.738 1.00 20.51 ? ? ? ? ? ? 167 GLU D O 1 +ATOM 7246 C CB . GLU D 1 168 ? 16.514 -10.437 149.241 1.00 23.00 ? ? ? ? ? ? 167 GLU D CB 1 +ATOM 7247 C CG . GLU D 1 168 ? 17.477 -9.395 148.792 1.00 19.87 ? ? ? ? ? ? 167 GLU D CG 1 +ATOM 7248 C CD . GLU D 1 168 ? 16.922 -7.982 148.883 1.00 26.51 ? ? ? ? ? ? 167 GLU D CD 1 +ATOM 7249 O OE1 . GLU D 1 168 ? 15.716 -7.774 148.597 1.00 21.44 ? ? ? ? ? ? 167 GLU D OE1 1 +ATOM 7250 O OE2 . GLU D 1 168 ? 17.713 -7.075 149.217 1.00 22.24 ? ? ? ? ? ? 167 GLU D OE2 1 +ATOM 7251 N N . THR D 1 169 ? 15.289 -13.185 150.279 1.00 19.93 ? ? ? ? ? ? 168 THR D N 1 +ATOM 7252 C CA . THR D 1 169 ? 14.475 -13.848 151.285 1.00 20.40 ? ? ? ? ? ? 168 THR D CA 1 +ATOM 7253 C C . THR D 1 169 ? 15.240 -15.017 151.858 1.00 20.52 ? ? ? ? ? ? 168 THR D C 1 +ATOM 7254 O O . THR D 1 169 ? 15.236 -15.182 153.073 1.00 21.70 ? ? ? ? ? ? 168 THR D O 1 +ATOM 7255 C CB . THR D 1 169 ? 13.118 -14.388 150.788 1.00 18.19 ? ? ? ? ? ? 168 THR D CB 1 +ATOM 7256 O OG1 . THR D 1 169 ? 12.335 -13.331 150.265 1.00 16.75 ? ? ? ? ? ? 168 THR D OG1 1 +ATOM 7257 C CG2 . THR D 1 169 ? 12.375 -15.094 151.930 1.00 18.52 ? ? ? ? ? ? 168 THR D CG2 1 +ATOM 7258 N N . SER D 1 170 ? 15.901 -15.799 150.994 1.00 20.51 ? ? ? ? ? ? 169 SER D N 1 +ATOM 7259 C CA . SER D 1 170 ? 16.757 -16.910 151.430 1.00 20.26 ? ? ? ? ? ? 169 SER D CA 1 +ATOM 7260 C C . SER D 1 170 ? 17.924 -16.474 152.312 1.00 21.01 ? ? ? ? ? ? 169 SER D C 1 +ATOM 7261 O O . SER D 1 170 ? 18.239 -17.157 153.298 1.00 20.32 ? ? ? ? ? ? 169 SER D O 1 +ATOM 7262 C CB . SER D 1 170 ? 17.333 -17.672 150.233 1.00 20.70 ? ? ? ? ? ? 169 SER D CB 1 +ATOM 7263 O OG . SER D 1 170 ? 16.338 -18.335 149.503 1.00 16.90 ? ? ? ? ? ? 169 SER D OG 1 +ATOM 7264 N N . VAL D 1 171 ? 18.594 -15.380 151.925 1.00 20.72 ? ? ? ? ? ? 170 VAL D N 1 +ATOM 7265 C CA . VAL D 1 171 ? 19.749 -14.902 152.664 1.00 19.61 ? ? ? ? ? ? 170 VAL D CA 1 +ATOM 7266 C C . VAL D 1 171 ? 19.328 -14.339 154.056 1.00 20.05 ? ? ? ? ? ? 170 VAL D C 1 +ATOM 7267 O O . VAL D 1 171 ? 19.997 -14.560 155.033 1.00 22.60 ? ? ? ? ? ? 170 VAL D O 1 +ATOM 7268 C CB . VAL D 1 171 ? 20.619 -13.923 151.838 1.00 18.68 ? ? ? ? ? ? 170 VAL D CB 1 +ATOM 7269 C CG1 . VAL D 1 171 ? 21.756 -13.404 152.673 1.00 11.98 ? ? ? ? ? ? 170 VAL D CG1 1 +ATOM 7270 C CG2 . VAL D 1 171 ? 21.187 -14.617 150.565 1.00 15.68 ? ? ? ? ? ? 170 VAL D CG2 1 +ATOM 7271 N N . MSE D 1 172 ? 18.193 -13.667 154.143 1.00 20.04 ? ? ? ? ? ? 171 MSE D N 1 +ATOM 7272 C CA . MSE D 1 172 ? 17.634 -13.250 155.419 1.00 20.31 ? ? ? ? ? ? 171 MSE D CA 1 +ATOM 7273 C C . MSE D 1 172 ? 17.205 -14.441 156.318 1.00 21.27 ? ? ? ? ? ? 171 MSE D C 1 +ATOM 7274 O O . MSE D 1 172 ? 17.469 -14.438 157.534 1.00 21.00 ? ? ? ? ? ? 171 MSE D O 1 +ATOM 7275 C CB . MSE D 1 172 ? 16.434 -12.318 155.203 1.00 19.42 ? ? ? ? ? ? 171 MSE D CB 1 +ATOM 7276 C CG . MSE D 1 172 ? 15.951 -11.592 156.515 1.00 21.76 ? ? ? ? ? ? 171 MSE D CG 1 +ATOM 7277 SE SE . MSE D 1 172 ? 17.330 -10.499 157.394 0.75 17.15 ? ? ? ? ? ? 171 MSE D SE 1 +ATOM 7278 C CE . MSE D 1 172 ? 17.434 -9.120 156.064 1.00 15.91 ? ? ? ? ? ? 171 MSE D CE 1 +ATOM 7279 N N . MSE D 1 173 ? 16.570 -15.446 155.723 1.00 21.56 ? ? ? ? ? ? 172 MSE D N 1 +ATOM 7280 C CA . MSE D 1 173 ? 16.230 -16.671 156.452 1.00 21.60 ? ? ? ? ? ? 172 MSE D CA 1 +ATOM 7281 C C . MSE D 1 173 ? 17.504 -17.311 157.030 1.00 22.08 ? ? ? ? ? ? 172 MSE D C 1 +ATOM 7282 O O . MSE D 1 173 ? 17.497 -17.808 158.154 1.00 23.04 ? ? ? ? ? ? 172 MSE D O 1 +ATOM 7283 C CB . MSE D 1 173 ? 15.430 -17.662 155.573 1.00 19.96 ? ? ? ? ? ? 172 MSE D CB 1 +ATOM 7284 C CG . MSE D 1 173 ? 14.032 -17.184 155.251 1.00 20.31 ? ? ? ? ? ? 172 MSE D CG 1 +ATOM 7285 SE SE . MSE D 1 173 ? 13.104 -18.282 153.987 0.75 18.03 ? ? ? ? ? ? 172 MSE D SE 1 +ATOM 7286 C CE . MSE D 1 173 ? 12.540 -19.714 155.277 1.00 16.79 ? ? ? ? ? ? 172 MSE D CE 1 +ATOM 7287 N N . HIS D 1 174 ? 18.603 -17.241 156.301 1.00 21.63 ? ? ? ? ? ? 173 HIS D N 1 +ATOM 7288 C CA . HIS D 1 174 ? 19.885 -17.769 156.787 1.00 21.35 ? ? ? ? ? ? 173 HIS D CA 1 +ATOM 7289 C C . HIS D 1 174 ? 20.442 -16.946 157.955 1.00 22.84 ? ? ? ? ? ? 173 HIS D C 1 +ATOM 7290 O O . HIS D 1 174 ? 20.691 -17.474 159.019 1.00 22.39 ? ? ? ? ? ? 173 HIS D O 1 +ATOM 7291 C CB . HIS D 1 174 ? 20.905 -17.839 155.654 1.00 22.05 ? ? ? ? ? ? 173 HIS D CB 1 +ATOM 7292 C CG . HIS D 1 174 ? 22.314 -18.092 156.113 1.00 20.42 ? ? ? ? ? ? 173 HIS D CG 1 +ATOM 7293 N ND1 . HIS D 1 174 ? 22.662 -19.190 156.862 1.00 18.02 ? ? ? ? ? ? 173 HIS D ND1 1 +ATOM 7294 C CD2 . HIS D 1 174 ? 23.460 -17.394 155.912 1.00 22.23 ? ? ? ? ? ? 173 HIS D CD2 1 +ATOM 7295 C CE1 . HIS D 1 174 ? 23.960 -19.153 157.111 1.00 24.42 ? ? ? ? ? ? 173 HIS D CE1 1 +ATOM 7296 N NE2 . HIS D 1 174 ? 24.465 -18.068 156.553 1.00 19.16 ? ? ? ? ? ? 173 HIS D NE2 1 +ATOM 7297 N N . TYR D 1 175 ? 20.628 -15.644 157.760 1.00 22.70 ? ? ? ? ? ? 174 TYR D N 1 +ATOM 7298 C CA . TYR D 1 175 ? 21.283 -14.826 158.779 1.00 21.10 ? ? ? ? ? ? 174 TYR D CA 1 +ATOM 7299 C C . TYR D 1 175 ? 20.401 -14.446 159.959 1.00 20.54 ? ? ? ? ? ? 174 TYR D C 1 +ATOM 7300 O O . TYR D 1 175 ? 20.903 -14.331 161.058 1.00 18.67 ? ? ? ? ? ? 174 TYR D O 1 +ATOM 7301 C CB . TYR D 1 175 ? 21.832 -13.534 158.164 1.00 21.10 ? ? ? ? ? ? 174 TYR D CB 1 +ATOM 7302 C CG . TYR D 1 175 ? 23.137 -13.693 157.413 1.00 19.93 ? ? ? ? ? ? 174 TYR D CG 1 +ATOM 7303 C CD1 . TYR D 1 175 ? 24.276 -14.210 158.037 1.00 17.74 ? ? ? ? ? ? 174 TYR D CD1 1 +ATOM 7304 C CD2 . TYR D 1 175 ? 23.242 -13.278 156.094 1.00 17.62 ? ? ? ? ? ? 174 TYR D CD2 1 +ATOM 7305 C CE1 . TYR D 1 175 ? 25.458 -14.362 157.340 1.00 19.89 ? ? ? ? ? ? 174 TYR D CE1 1 +ATOM 7306 C CE2 . TYR D 1 175 ? 24.414 -13.395 155.408 1.00 22.06 ? ? ? ? ? ? 174 TYR D CE2 1 +ATOM 7307 C CZ . TYR D 1 175 ? 25.523 -13.940 156.016 1.00 19.75 ? ? ? ? ? ? 174 TYR D CZ 1 +ATOM 7308 O OH . TYR D 1 175 ? 26.689 -14.023 155.293 1.00 17.41 ? ? ? ? ? ? 174 TYR D OH 1 +ATOM 7309 N N . HIS D 1 176 ? 19.114 -14.178 159.709 1.00 21.37 ? ? ? ? ? ? 175 HIS D N 1 +ATOM 7310 C CA . HIS D 1 176 ? 18.192 -13.737 160.736 1.00 22.08 ? ? ? ? ? ? 175 HIS D CA 1 +ATOM 7311 C C . HIS D 1 176 ? 16.818 -14.315 160.505 1.00 22.98 ? ? ? ? ? ? 175 HIS D C 1 +ATOM 7312 O O . HIS D 1 176 ? 15.901 -13.578 160.142 1.00 22.95 ? ? ? ? ? ? 175 HIS D O 1 +ATOM 7313 C CB . HIS D 1 176 ? 18.023 -12.209 160.760 1.00 23.32 ? ? ? ? ? ? 175 HIS D CB 1 +ATOM 7314 C CG . HIS D 1 176 ? 19.242 -11.478 161.161 1.00 17.86 ? ? ? ? ? ? 175 HIS D CG 1 +ATOM 7315 N ND1 . HIS D 1 176 ? 19.562 -11.253 162.478 1.00 23.40 ? ? ? ? ? ? 175 HIS D ND1 1 +ATOM 7316 C CD2 . HIS D 1 176 ? 20.247 -10.950 160.423 1.00 18.42 ? ? ? ? ? ? 175 HIS D CD2 1 +ATOM 7317 C CE1 . HIS D 1 176 ? 20.721 -10.621 162.537 1.00 29.41 ? ? ? ? ? ? 175 HIS D CE1 1 +ATOM 7318 N NE2 . HIS D 1 176 ? 21.150 -10.416 161.301 1.00 24.82 ? ? ? ? ? ? 175 HIS D NE2 1 +ATOM 7319 N N . PRO D 1 177 ? 16.655 -15.623 160.754 1.00 24.55 ? ? ? ? ? ? 176 PRO D N 1 +ATOM 7320 C CA . PRO D 1 177 ? 15.360 -16.254 160.562 1.00 25.96 ? ? ? ? ? ? 176 PRO D CA 1 +ATOM 7321 C C . PRO D 1 177 ? 14.280 -15.624 161.441 1.00 25.68 ? ? ? ? ? ? 176 PRO D C 1 +ATOM 7322 O O . PRO D 1 177 ? 13.137 -15.586 161.068 1.00 27.04 ? ? ? ? ? ? 176 PRO D O 1 +ATOM 7323 C CB . PRO D 1 177 ? 15.616 -17.710 160.962 1.00 25.24 ? ? ? ? ? ? 176 PRO D CB 1 +ATOM 7324 C CG . PRO D 1 177 ? 16.818 -17.703 161.774 1.00 23.25 ? ? ? ? ? ? 176 PRO D CG 1 +ATOM 7325 C CD . PRO D 1 177 ? 17.652 -16.574 161.270 1.00 23.22 ? ? ? ? ? ? 176 PRO D CD 1 +ATOM 7326 N N . GLU D 1 178 ? 14.673 -15.121 162.594 1.00 27.05 ? ? ? ? ? ? 177 GLU D N 1 +ATOM 7327 C CA . GLU D 1 178 ? 13.777 -14.420 163.486 1.00 27.76 ? ? ? ? ? ? 177 GLU D CA 1 +ATOM 7328 C C . GLU D 1 178 ? 13.128 -13.161 162.882 1.00 27.28 ? ? ? ? ? ? 177 GLU D C 1 +ATOM 7329 O O . GLU D 1 178 ? 12.126 -12.724 163.410 1.00 26.55 ? ? ? ? ? ? 177 GLU D O 1 +ATOM 7330 C CB . GLU D 1 178 ? 14.504 -14.067 164.818 1.00 26.98 ? ? ? ? ? ? 177 GLU D CB 1 +ATOM 7331 C CG . GLU D 1 178 ? 15.324 -12.780 164.845 1.00 29.44 ? ? ? ? ? ? 177 GLU D CG 1 +ATOM 7332 C CD . GLU D 1 178 ? 16.782 -12.888 164.292 1.00 31.50 ? ? ? ? ? ? 177 GLU D CD 1 +ATOM 7333 O OE1 . GLU D 1 178 ? 17.300 -13.980 163.965 1.00 27.72 ? ? ? ? ? ? 177 GLU D OE1 1 +ATOM 7334 O OE2 . GLU D 1 178 ? 17.424 -11.827 164.210 1.00 30.97 ? ? ? ? ? ? 177 GLU D OE2 1 +ATOM 7335 N N . LEU D 1 179 ? 13.690 -12.594 161.801 1.00 26.06 ? ? ? ? ? ? 178 LEU D N 1 +ATOM 7336 C CA . LEU D 1 179 ? 13.192 -11.322 161.231 1.00 25.55 ? ? ? ? ? ? 178 LEU D CA 1 +ATOM 7337 C C . LEU D 1 179 ? 12.299 -11.481 160.007 1.00 26.57 ? ? ? ? ? ? 178 LEU D C 1 +ATOM 7338 O O . LEU D 1 179 ? 11.841 -10.483 159.442 1.00 28.08 ? ? ? ? ? ? 178 LEU D O 1 +ATOM 7339 C CB . LEU D 1 179 ? 14.366 -10.371 160.874 1.00 26.00 ? ? ? ? ? ? 178 LEU D CB 1 +ATOM 7340 C CG . LEU D 1 179 ? 15.258 -9.852 162.006 1.00 23.24 ? ? ? ? ? ? 178 LEU D CG 1 +ATOM 7341 C CD1 . LEU D 1 179 ? 16.366 -8.908 161.486 1.00 18.72 ? ? ? ? ? ? 178 LEU D CD1 1 +ATOM 7342 C CD2 . LEU D 1 179 ? 14.422 -9.139 163.042 1.00 22.07 ? ? ? ? ? ? 178 LEU D CD2 1 +ATOM 7343 N N . VAL D 1 180 ? 12.063 -12.719 159.588 1.00 26.66 ? ? ? ? ? ? 179 VAL D N 1 +ATOM 7344 C CA . VAL D 1 180 ? 11.299 -13.003 158.382 1.00 26.70 ? ? ? ? ? ? 179 VAL D CA 1 +ATOM 7345 C C . VAL D 1 180 ? 10.449 -14.239 158.595 1.00 28.06 ? ? ? ? ? ? 179 VAL D C 1 +ATOM 7346 O O . VAL D 1 180 ? 10.934 -15.261 159.080 1.00 27.76 ? ? ? ? ? ? 179 VAL D O 1 +ATOM 7347 C CB . VAL D 1 180 ? 12.206 -13.178 157.135 1.00 25.84 ? ? ? ? ? ? 179 VAL D CB 1 +ATOM 7348 C CG1 . VAL D 1 180 ? 13.151 -14.336 157.297 1.00 21.20 ? ? ? ? ? ? 179 VAL D CG1 1 +ATOM 7349 C CG2 . VAL D 1 180 ? 11.360 -13.310 155.882 1.00 24.74 ? ? ? ? ? ? 179 VAL D CG2 1 +ATOM 7350 N N . ASN D 1 181 ? 9.166 -14.088 158.264 1.00 29.12 ? ? ? ? ? ? 180 ASN D N 1 +ATOM 7351 C CA . ASN D 1 181 ? 8.185 -15.171 158.185 1.00 27.54 ? ? ? ? ? ? 180 ASN D CA 1 +ATOM 7352 C C . ASN D 1 181 ? 7.786 -15.322 156.732 1.00 26.97 ? ? ? ? ? ? 180 ASN D C 1 +ATOM 7353 O O . ASN D 1 181 ? 6.996 -14.555 156.223 1.00 26.07 ? ? ? ? ? ? 180 ASN D O 1 +ATOM 7354 C CB . ASN D 1 181 ? 6.942 -14.832 159.036 1.00 26.60 ? ? ? ? ? ? 180 ASN D CB 1 +ATOM 7355 C CG . ASN D 1 181 ? 7.250 -14.724 160.528 1.00 31.12 ? ? ? ? ? ? 180 ASN D CG 1 +ATOM 7356 O OD1 . ASN D 1 181 ? 8.163 -15.387 161.030 1.00 34.76 ? ? ? ? ? ? 180 ASN D OD1 1 +ATOM 7357 N ND2 . ASN D 1 181 ? 6.490 -13.872 161.248 1.00 30.78 ? ? ? ? ? ? 180 ASN D ND2 1 +ATOM 7358 N N . LEU D 1 182 ? 8.341 -16.323 156.067 1.00 26.59 ? ? ? ? ? ? 181 LEU D N 1 +ATOM 7359 C CA . LEU D 1 182 ? 8.030 -16.590 154.669 1.00 26.92 ? ? ? ? ? ? 181 LEU D CA 1 +ATOM 7360 C C . LEU D 1 182 ? 6.511 -16.698 154.384 1.00 26.94 ? ? ? ? ? ? 181 LEU D C 1 +ATOM 7361 O O . LEU D 1 182 ? 6.068 -16.277 153.344 1.00 26.15 ? ? ? ? ? ? 181 LEU D O 1 +ATOM 7362 C CB . LEU D 1 182 ? 8.751 -17.860 154.212 1.00 25.76 ? ? ? ? ? ? 181 LEU D CB 1 +ATOM 7363 C CG . LEU D 1 182 ? 8.583 -18.300 152.765 1.00 27.73 ? ? ? ? ? ? 181 LEU D CG 1 +ATOM 7364 C CD1 . LEU D 1 182 ? 9.004 -17.208 151.796 1.00 22.61 ? ? ? ? ? ? 181 LEU D CD1 1 +ATOM 7365 C CD2 . LEU D 1 182 ? 9.372 -19.593 152.529 1.00 26.28 ? ? ? ? ? ? 181 LEU D CD2 1 +ATOM 7366 N N . ALA D 1 183 ? 5.738 -17.271 155.304 1.00 27.79 ? ? ? ? ? ? 182 ALA D N 1 +ATOM 7367 C CA . ALA D 1 183 ? 4.288 -17.429 155.109 1.00 28.90 ? ? ? ? ? ? 182 ALA D CA 1 +ATOM 7368 C C . ALA D 1 183 ? 3.550 -16.097 154.903 1.00 29.63 ? ? ? ? ? ? 182 ALA D C 1 +ATOM 7369 O O . ALA D 1 183 ? 2.463 -16.095 154.378 1.00 30.47 ? ? ? ? ? ? 182 ALA D O 1 +ATOM 7370 C CB . ALA D 1 183 ? 3.664 -18.225 156.284 1.00 28.31 ? ? ? ? ? ? 182 ALA D CB 1 +ATOM 7371 N N . GLU D 1 184 ? 4.146 -14.971 155.290 1.00 30.66 ? ? ? ? ? ? 183 GLU D N 1 +ATOM 7372 C CA . GLU D 1 184 ? 3.537 -13.631 155.129 1.00 31.22 ? ? ? ? ? ? 183 GLU D CA 1 +ATOM 7373 C C . GLU D 1 184 ? 3.747 -12.982 153.746 1.00 27.89 ? ? ? ? ? ? 183 GLU D C 1 +ATOM 7374 O O . GLU D 1 184 ? 3.138 -11.953 153.413 1.00 27.13 ? ? ? ? ? ? 183 GLU D O 1 +ATOM 7375 C CB . GLU D 1 184 ? 4.103 -12.697 156.209 1.00 31.31 ? ? ? ? ? ? 183 GLU D CB 1 +ATOM 7376 C CG . GLU D 1 184 ? 3.775 -13.131 157.642 1.00 35.32 ? ? ? ? ? ? 183 GLU D CG 1 +ATOM 7377 C CD . GLU D 1 184 ? 4.501 -12.326 158.733 1.00 37.92 ? ? ? ? ? ? 183 GLU D CD 1 +ATOM 7378 O OE1 . GLU D 1 184 ? 5.207 -11.337 158.417 1.00 42.37 ? ? ? ? ? ? 183 GLU D OE1 1 +ATOM 7379 O OE2 . GLU D 1 184 ? 4.372 -12.700 159.929 1.00 41.61 ? ? ? ? ? ? 183 GLU D OE2 1 +ATOM 7380 N N . ALA D 1 185 ? 4.605 -13.586 152.944 1.00 26.50 ? ? ? ? ? ? 184 ALA D N 1 +ATOM 7381 C CA . ALA D 1 185 ? 5.031 -13.006 151.672 1.00 25.57 ? ? ? ? ? ? 184 ALA D CA 1 +ATOM 7382 C C . ALA D 1 185 ? 3.905 -12.971 150.637 1.00 26.35 ? ? ? ? ? ? 184 ALA D C 1 +ATOM 7383 O O . ALA D 1 185 ? 3.101 -13.884 150.567 1.00 26.56 ? ? ? ? ? ? 184 ALA D O 1 +ATOM 7384 C CB . ALA D 1 185 ? 6.236 -13.775 151.121 1.00 21.01 ? ? ? ? ? ? 184 ALA D CB 1 +ATOM 7385 N N . GLY D 1 186 ? 3.872 -11.896 149.846 1.00 26.07 ? ? ? ? ? ? 185 GLY D N 1 +ATOM 7386 C CA . GLY D 1 186 ? 3.061 -11.854 148.606 1.00 24.74 ? ? ? ? ? ? 185 GLY D CA 1 +ATOM 7387 C C . GLY D 1 186 ? 3.827 -12.413 147.422 1.00 25.10 ? ? ? ? ? ? 185 GLY D C 1 +ATOM 7388 O O . GLY D 1 186 ? 4.996 -12.773 147.544 1.00 24.40 ? ? ? ? ? ? 185 GLY D O 1 +ATOM 7389 N N . ASP D 1 187 ? 3.180 -12.472 146.256 1.00 26.48 ? ? ? ? ? ? 186 ASP D N 1 +ATOM 7390 C CA . ASP D 1 187 ? 3.782 -13.123 145.066 1.00 27.84 ? ? ? ? ? ? 186 ASP D CA 1 +ATOM 7391 C C . ASP D 1 187 ? 4.816 -12.249 144.361 1.00 27.22 ? ? ? ? ? ? 186 ASP D C 1 +ATOM 7392 O O . ASP D 1 187 ? 5.579 -12.738 143.548 1.00 26.39 ? ? ? ? ? ? 186 ASP D O 1 +ATOM 7393 C CB . ASP D 1 187 ? 2.695 -13.517 144.062 1.00 30.57 ? ? ? ? ? ? 186 ASP D CB 1 +ATOM 7394 C CG . ASP D 1 187 ? 1.830 -14.672 144.554 1.00 39.16 ? ? ? ? ? ? 186 ASP D CG 1 +ATOM 7395 O OD1 . ASP D 1 187 ? 2.176 -15.285 145.590 1.00 45.20 ? ? ? ? ? ? 186 ASP D OD1 1 +ATOM 7396 O OD2 . ASP D 1 187 ? 0.805 -14.967 143.899 1.00 47.87 ? ? ? ? ? ? 186 ASP D OD2 1 +ATOM 7397 N N . GLY D 1 188 ? 4.847 -10.961 144.705 1.00 27.02 ? ? ? ? ? ? 187 GLY D N 1 +ATOM 7398 C CA . GLY D 1 188 ? 5.808 -10.037 144.125 1.00 26.86 ? ? ? ? ? ? 187 GLY D CA 1 +ATOM 7399 C C . GLY D 1 188 ? 5.610 -9.869 142.630 1.00 26.77 ? ? ? ? ? ? 187 GLY D C 1 +ATOM 7400 O O . GLY D 1 188 ? 6.567 -9.758 141.889 1.00 25.79 ? ? ? ? ? ? 187 GLY D O 1 +ATOM 7401 N N . GLU D 1 189 ? 4.357 -9.843 142.199 1.00 28.20 ? ? ? ? ? ? 188 GLU D N 1 +ATOM 7402 C CA . GLU D 1 189 ? 4.025 -9.672 140.791 1.00 30.65 ? ? ? ? ? ? 188 GLU D CA 1 +ATOM 7403 C C . GLU D 1 189 ? 4.445 -8.250 140.355 1.00 30.46 ? ? ? ? ? ? 188 GLU D C 1 +ATOM 7404 O O . GLU D 1 189 ? 4.303 -7.281 141.113 1.00 30.07 ? ? ? ? ? ? 188 GLU D O 1 +ATOM 7405 C CB . GLU D 1 189 ? 2.519 -9.912 140.563 1.00 28.69 ? ? ? ? ? ? 188 GLU D CB 1 +ATOM 7406 N N . SER D 1 190 ? 4.968 -8.141 139.145 1.00 31.70 ? ? ? ? ? ? 189 SER D N 1 +ATOM 7407 C CA . SER D 1 190 ? 5.409 -6.864 138.595 1.00 32.81 ? ? ? ? ? ? 189 SER D CA 1 +ATOM 7408 C C . SER D 1 190 ? 4.851 -6.631 137.188 1.00 33.81 ? ? ? ? ? ? 189 SER D C 1 +ATOM 7409 O O . SER D 1 190 ? 4.543 -7.591 136.467 1.00 34.47 ? ? ? ? ? ? 189 SER D O 1 +ATOM 7410 C CB . SER D 1 190 ? 6.938 -6.801 138.562 1.00 33.97 ? ? ? ? ? ? 189 SER D CB 1 +ATOM 7411 O OG . SER D 1 190 ? 7.482 -7.834 137.754 1.00 36.90 ? ? ? ? ? ? 189 SER D OG 1 +ATOM 7412 N N . LYS D 1 191 ? 4.734 -5.358 136.805 1.00 32.17 ? ? ? ? ? ? 190 LYS D N 1 +ATOM 7413 C CA . LYS D 1 191 ? 4.200 -4.986 135.512 1.00 34.29 ? ? ? ? ? ? 190 LYS D CA 1 +ATOM 7414 C C . LYS D 1 191 ? 5.200 -4.131 134.762 1.00 31.94 ? ? ? ? ? ? 190 LYS D C 1 +ATOM 7415 O O . LYS D 1 191 ? 5.856 -3.292 135.344 1.00 31.11 ? ? ? ? ? ? 190 LYS D O 1 +ATOM 7416 C CB . LYS D 1 191 ? 2.911 -4.206 135.659 1.00 34.20 ? ? ? ? ? ? 190 LYS D CB 1 +ATOM 7417 C CG . LYS D 1 191 ? 1.690 -4.977 136.183 1.00 40.00 ? ? ? ? ? ? 190 LYS D CG 1 +ATOM 7418 C CD . LYS D 1 191 ? 0.501 -4.004 136.347 1.00 42.62 ? ? ? ? ? ? 190 LYS D CD 1 +ATOM 7419 C CE . LYS D 1 191 ? -0.875 -4.671 136.297 1.00 54.13 ? ? ? ? ? ? 190 LYS D CE 1 +ATOM 7420 N NZ . LYS D 1 191 ? -1.940 -3.675 135.873 1.00 54.96 ? ? ? ? ? ? 190 LYS D NZ 1 +ATOM 7421 N N . PRO D 1 192 ? 5.312 -4.336 133.455 1.00 30.76 ? ? ? ? ? ? 191 PRO D N 1 +ATOM 7422 C CA . PRO D 1 192 ? 6.256 -3.599 132.673 1.00 29.58 ? ? ? ? ? ? 191 PRO D CA 1 +ATOM 7423 C C . PRO D 1 192 ? 5.760 -2.204 132.280 1.00 27.26 ? ? ? ? ? ? 191 PRO D C 1 +ATOM 7424 O O . PRO D 1 192 ? 4.619 -1.817 132.548 1.00 26.06 ? ? ? ? ? ? 191 PRO D O 1 +ATOM 7425 C CB . PRO D 1 192 ? 6.368 -4.454 131.413 1.00 30.88 ? ? ? ? ? ? 191 PRO D CB 1 +ATOM 7426 C CG . PRO D 1 192 ? 4.994 -4.979 131.220 1.00 31.10 ? ? ? ? ? ? 191 PRO D CG 1 +ATOM 7427 C CD . PRO D 1 192 ? 4.538 -5.282 132.623 1.00 32.51 ? ? ? ? ? ? 191 PRO D CD 1 +ATOM 7428 N N . PHE D 1 193 ? 6.636 -1.482 131.598 1.00 26.89 ? ? ? ? ? ? 192 PHE D N 1 +ATOM 7429 C CA . PHE D 1 193 ? 6.288 -0.213 130.989 1.00 25.65 ? ? ? ? ? ? 192 PHE D CA 1 +ATOM 7430 C C . PHE D 1 193 ? 5.384 -0.394 129.760 1.00 26.09 ? ? ? ? ? ? 192 PHE D C 1 +ATOM 7431 O O . PHE D 1 193 ? 5.338 -1.465 129.137 1.00 25.56 ? ? ? ? ? ? 192 PHE D O 1 +ATOM 7432 C CB . PHE D 1 193 ? 7.548 0.521 130.515 1.00 25.15 ? ? ? ? ? ? 192 PHE D CB 1 +ATOM 7433 C CG . PHE D 1 193 ? 8.507 0.907 131.609 1.00 25.55 ? ? ? ? ? ? 192 PHE D CG 1 +ATOM 7434 C CD1 . PHE D 1 193 ? 8.123 1.792 132.634 1.00 23.89 ? ? ? ? ? ? 192 PHE D CD1 1 +ATOM 7435 C CD2 . PHE D 1 193 ? 9.834 0.460 131.567 1.00 24.96 ? ? ? ? ? ? 192 PHE D CD2 1 +ATOM 7436 C CE1 . PHE D 1 193 ? 9.043 2.180 133.621 1.00 23.99 ? ? ? ? ? ? 192 PHE D CE1 1 +ATOM 7437 C CE2 . PHE D 1 193 ? 10.760 0.853 132.540 1.00 24.60 ? ? ? ? ? ? 192 PHE D CE2 1 +ATOM 7438 C CZ . PHE D 1 193 ? 10.371 1.718 133.575 1.00 22.56 ? ? ? ? ? ? 192 PHE D CZ 1 +ATOM 7439 N N . ALA D 1 194 ? 4.705 0.693 129.398 1.00 26.12 ? ? ? ? ? ? 193 ALA D N 1 +ATOM 7440 C CA . ALA D 1 194 ? 3.954 0.771 128.153 1.00 27.15 ? ? ? ? ? ? 193 ALA D CA 1 +ATOM 7441 C C . ALA D 1 194 ? 4.843 1.135 126.976 1.00 28.13 ? ? ? ? ? ? 193 ALA D C 1 +ATOM 7442 O O . ALA D 1 194 ? 4.389 1.130 125.834 1.00 29.53 ? ? ? ? ? ? 193 ALA D O 1 +ATOM 7443 C CB . ALA D 1 194 ? 2.831 1.795 128.272 1.00 24.53 ? ? ? ? ? ? 193 ALA D CB 1 +ATOM 7444 N N . ILE D 1 195 ? 6.101 1.476 127.253 1.00 28.17 ? ? ? ? ? ? 194 ILE D N 1 +ATOM 7445 C CA . ILE D 1 195 ? 7.063 1.887 126.236 1.00 25.11 ? ? ? ? ? ? 194 ILE D CA 1 +ATOM 7446 C C . ILE D 1 195 ? 8.006 0.716 126.054 1.00 26.20 ? ? ? ? ? ? 194 ILE D C 1 +ATOM 7447 O O . ILE D 1 195 ? 8.878 0.451 126.899 1.00 26.59 ? ? ? ? ? ? 194 ILE D O 1 +ATOM 7448 C CB . ILE D 1 195 ? 7.757 3.211 126.652 1.00 24.81 ? ? ? ? ? ? 194 ILE D CB 1 +ATOM 7449 C CG1 . ILE D 1 195 ? 6.731 4.343 126.691 1.00 22.40 ? ? ? ? ? ? 194 ILE D CG1 1 +ATOM 7450 C CG2 . ILE D 1 195 ? 8.896 3.580 125.716 1.00 21.28 ? ? ? ? ? ? 194 ILE D CG2 1 +ATOM 7451 C CD1 . ILE D 1 195 ? 7.191 5.624 127.486 1.00 20.37 ? ? ? ? ? ? 194 ILE D CD1 1 +ATOM 7452 N N . ALA D 1 196 ? 7.786 -0.011 124.952 1.00 25.75 ? ? ? ? ? ? 195 ALA D N 1 +ATOM 7453 C CA . ALA D 1 196 ? 8.437 -1.269 124.676 1.00 24.99 ? ? ? ? ? ? 195 ALA D CA 1 +ATOM 7454 C C . ALA D 1 196 ? 9.937 -1.122 124.731 1.00 24.53 ? ? ? ? ? ? 195 ALA D C 1 +ATOM 7455 O O . ALA D 1 196 ? 10.592 -1.967 125.290 1.00 25.49 ? ? ? ? ? ? 195 ALA D O 1 +ATOM 7456 C CB . ALA D 1 196 ? 7.977 -1.792 123.303 1.00 24.86 ? ? ? ? ? ? 195 ALA D CB 1 +ATOM 7457 N N . SER D 1 197 ? 10.487 -0.056 124.135 1.00 24.15 ? ? ? ? ? ? 196 SER D N 1 +ATOM 7458 C CA . SER D 1 197 ? 11.956 0.164 124.124 1.00 23.70 ? ? ? ? ? ? 196 SER D CA 1 +ATOM 7459 C C . SER D 1 197 ? 12.560 0.307 125.522 1.00 23.28 ? ? ? ? ? ? 196 SER D C 1 +ATOM 7460 O O . SER D 1 197 ? 13.721 0.001 125.728 1.00 23.20 ? ? ? ? ? ? 196 SER D O 1 +ATOM 7461 C CB . SER D 1 197 ? 12.306 1.409 123.270 1.00 23.91 ? ? ? ? ? ? 196 SER D CB 1 +ATOM 7462 O OG . SER D 1 197 ? 11.899 1.257 121.909 1.00 20.99 ? ? ? ? ? ? 196 SER D OG 1 +ATOM 7463 N N . LEU D 1 198 ? 11.776 0.778 126.491 1.00 23.45 ? ? ? ? ? ? 197 LEU D N 1 +ATOM 7464 C CA . LEU D 1 198 ? 12.253 0.826 127.885 1.00 24.17 ? ? ? ? ? ? 197 LEU D CA 1 +ATOM 7465 C C . LEU D 1 198 ? 12.327 -0.577 128.532 1.00 25.17 ? ? ? ? ? ? 197 LEU D C 1 +ATOM 7466 O O . LEU D 1 198 ? 13.297 -0.887 129.239 1.00 25.73 ? ? ? ? ? ? 197 LEU D O 1 +ATOM 7467 C CB . LEU D 1 198 ? 11.440 1.829 128.712 1.00 22.60 ? ? ? ? ? ? 197 LEU D CB 1 +ATOM 7468 C CG . LEU D 1 198 ? 11.499 3.314 128.289 1.00 22.69 ? ? ? ? ? ? 197 LEU D CG 1 +ATOM 7469 C CD1 . LEU D 1 198 ? 10.598 4.171 129.159 1.00 17.11 ? ? ? ? ? ? 197 LEU D CD1 1 +ATOM 7470 C CD2 . LEU D 1 198 ? 12.914 3.914 128.302 1.00 13.65 ? ? ? ? ? ? 197 LEU D CD2 1 +ATOM 7471 N N . ASN D 1 199 ? 11.363 -1.444 128.219 1.00 26.73 ? ? ? ? ? ? 198 ASN D N 1 +ATOM 7472 C CA . ASN D 1 199 ? 11.423 -2.870 128.631 1.00 27.39 ? ? ? ? ? ? 198 ASN D CA 1 +ATOM 7473 C C . ASN D 1 199 ? 12.595 -3.611 127.953 1.00 27.69 ? ? ? ? ? ? 198 ASN D C 1 +ATOM 7474 O O . ASN D 1 199 ? 13.181 -4.516 128.540 1.00 27.47 ? ? ? ? ? ? 198 ASN D O 1 +ATOM 7475 C CB . ASN D 1 199 ? 10.094 -3.595 128.351 1.00 24.79 ? ? ? ? ? ? 198 ASN D CB 1 +ATOM 7476 C CG . ASN D 1 199 ? 8.903 -2.951 129.046 1.00 25.59 ? ? ? ? ? ? 198 ASN D CG 1 +ATOM 7477 O OD1 . ASN D 1 199 ? 8.975 -2.565 130.213 1.00 29.57 ? ? ? ? ? ? 198 ASN D OD1 1 +ATOM 7478 N ND2 . ASN D 1 199 ? 7.797 -2.824 128.325 1.00 25.54 ? ? ? ? ? ? 198 ASN D ND2 1 +ATOM 7479 N N . GLU D 1 200 ? 12.942 -3.201 126.736 1.00 28.44 ? ? ? ? ? ? 199 GLU D N 1 +ATOM 7480 C CA . GLU D 1 200 ? 14.081 -3.767 125.997 1.00 31.07 ? ? ? ? ? ? 199 GLU D CA 1 +ATOM 7481 C C . GLU D 1 200 ? 15.412 -3.144 126.419 1.00 29.87 ? ? ? ? ? ? 199 GLU D C 1 +ATOM 7482 O O . GLU D 1 200 ? 16.463 -3.555 125.955 1.00 29.67 ? ? ? ? ? ? 199 GLU D O 1 +ATOM 7483 C CB . GLU D 1 200 ? 13.888 -3.570 124.492 1.00 29.92 ? ? ? ? ? ? 199 GLU D CB 1 +ATOM 7484 C CG . GLU D 1 200 ? 12.614 -4.192 123.893 1.00 36.22 ? ? ? ? ? ? 199 GLU D CG 1 +ATOM 7485 C CD . GLU D 1 200 ? 12.147 -3.478 122.581 1.00 39.35 ? ? ? ? ? ? 199 GLU D CD 1 +ATOM 7486 O OE1 . GLU D 1 200 ? 12.970 -2.763 121.942 1.00 44.85 ? ? ? ? ? ? 199 GLU D OE1 1 +ATOM 7487 O OE2 . GLU D 1 200 ? 10.954 -3.638 122.188 1.00 53.73 ? ? ? ? ? ? 199 GLU D OE2 1 +ATOM 7488 N N . LYS D 1 201 ? 15.361 -2.154 127.306 1.00 30.01 ? ? ? ? ? ? 200 LYS D N 1 +ATOM 7489 C CA . LYS D 1 201 ? 16.563 -1.509 127.876 1.00 30.13 ? ? ? ? ? ? 200 LYS D CA 1 +ATOM 7490 C C . LYS D 1 201 ? 17.380 -0.699 126.872 1.00 27.77 ? ? ? ? ? ? 200 LYS D C 1 +ATOM 7491 O O . LYS D 1 201 ? 18.585 -0.572 127.029 1.00 28.08 ? ? ? ? ? ? 200 LYS D O 1 +ATOM 7492 C CB . LYS D 1 201 ? 17.424 -2.520 128.622 1.00 30.93 ? ? ? ? ? ? 200 LYS D CB 1 +ATOM 7493 C CG . LYS D 1 201 ? 16.659 -3.138 129.810 1.00 36.53 ? ? ? ? ? ? 200 LYS D CG 1 +ATOM 7494 C CD . LYS D 1 201 ? 17.538 -4.037 130.689 1.00 39.17 ? ? ? ? ? ? 200 LYS D CD 1 +ATOM 7495 C CE . LYS D 1 201 ? 16.707 -4.641 131.833 1.00 48.34 ? ? ? ? ? ? 200 LYS D CE 1 +ATOM 7496 N NZ . LYS D 1 201 ? 17.427 -5.786 132.479 1.00 54.82 ? ? ? ? ? ? 200 LYS D NZ 1 +ATOM 7497 N N . VAL D 1 202 ? 16.703 -0.150 125.850 1.00 25.25 ? ? ? ? ? ? 201 VAL D N 1 +ATOM 7498 C CA . VAL D 1 202 ? 17.340 0.772 124.874 1.00 24.46 ? ? ? ? ? ? 201 VAL D CA 1 +ATOM 7499 C C . VAL D 1 202 ? 17.767 2.041 125.627 1.00 23.76 ? ? ? ? ? ? 201 VAL D C 1 +ATOM 7500 O O . VAL D 1 202 ? 18.854 2.597 125.413 1.00 22.89 ? ? ? ? ? ? 201 VAL D O 1 +ATOM 7501 C CB . VAL D 1 202 ? 16.394 1.130 123.694 1.00 24.20 ? ? ? ? ? ? 201 VAL D CB 1 +ATOM 7502 C CG1 . VAL D 1 202 ? 16.996 2.259 122.778 1.00 18.46 ? ? ? ? ? ? 201 VAL D CG1 1 +ATOM 7503 C CG2 . VAL D 1 202 ? 16.066 -0.107 122.872 1.00 23.06 ? ? ? ? ? ? 201 VAL D CG2 1 +ATOM 7504 N N . ALA D 1 203 ? 16.913 2.434 126.562 1.00 22.51 ? ? ? ? ? ? 202 ALA D N 1 +ATOM 7505 C CA . ALA D 1 203 ? 17.211 3.471 127.513 1.00 21.07 ? ? ? ? ? ? 202 ALA D CA 1 +ATOM 7506 C C . ALA D 1 203 ? 16.659 3.089 128.894 1.00 22.09 ? ? ? ? ? ? 202 ALA D C 1 +ATOM 7507 O O . ALA D 1 203 ? 15.845 2.174 129.030 1.00 22.00 ? ? ? ? ? ? 202 ALA D O 1 +ATOM 7508 C CB . ALA D 1 203 ? 16.638 4.822 127.035 1.00 18.09 ? ? ? ? ? ? 202 ALA D CB 1 +ATOM 7509 N N . TRP D 1 204 ? 17.136 3.814 129.915 1.00 22.62 ? ? ? ? ? ? 203 TRP D N 1 +ATOM 7510 C CA . TRP D 1 204 ? 16.745 3.606 131.296 1.00 20.68 ? ? ? ? ? ? 203 TRP D CA 1 +ATOM 7511 C C . TRP D 1 204 ? 15.809 4.712 131.839 1.00 20.16 ? ? ? ? ? ? 203 TRP D C 1 +ATOM 7512 O O . TRP D 1 204 ? 16.038 5.905 131.643 1.00 18.81 ? ? ? ? ? ? 203 TRP D O 1 +ATOM 7513 C CB . TRP D 1 204 ? 18.001 3.480 132.142 1.00 18.04 ? ? ? ? ? ? 203 TRP D CB 1 +ATOM 7514 C CG . TRP D 1 204 ? 17.737 3.195 133.591 1.00 20.01 ? ? ? ? ? ? 203 TRP D CG 1 +ATOM 7515 C CD1 . TRP D 1 204 ? 17.682 1.967 134.185 1.00 23.81 ? ? ? ? ? ? 203 TRP D CD1 1 +ATOM 7516 C CD2 . TRP D 1 204 ? 17.473 4.149 134.624 1.00 16.91 ? ? ? ? ? ? 203 TRP D CD2 1 +ATOM 7517 N NE1 . TRP D 1 204 ? 17.441 2.100 135.525 1.00 22.89 ? ? ? ? ? ? 203 TRP D NE1 1 +ATOM 7518 C CE2 . TRP D 1 204 ? 17.286 3.426 135.822 1.00 21.89 ? ? ? ? ? ? 203 TRP D CE2 1 +ATOM 7519 C CE3 . TRP D 1 204 ? 17.398 5.555 134.659 1.00 22.74 ? ? ? ? ? ? 203 TRP D CE3 1 +ATOM 7520 C CZ2 . TRP D 1 204 ? 17.043 4.055 137.057 1.00 24.89 ? ? ? ? ? ? 203 TRP D CZ2 1 +ATOM 7521 C CZ3 . TRP D 1 204 ? 17.150 6.180 135.878 1.00 22.51 ? ? ? ? ? ? 203 TRP D CZ3 1 +ATOM 7522 C CH2 . TRP D 1 204 ? 16.972 5.428 137.059 1.00 24.01 ? ? ? ? ? ? 203 TRP D CH2 1 +ATOM 7523 N N . VAL D 1 205 ? 14.732 4.274 132.472 1.00 19.70 ? ? ? ? ? ? 204 VAL D N 1 +ATOM 7524 C CA . VAL D 1 205 ? 13.838 5.090 133.297 1.00 19.99 ? ? ? ? ? ? 204 VAL D CA 1 +ATOM 7525 C C . VAL D 1 205 ? 13.621 4.245 134.577 1.00 21.67 ? ? ? ? ? ? 204 VAL D C 1 +ATOM 7526 O O . VAL D 1 205 ? 13.702 3.010 134.551 1.00 21.36 ? ? ? ? ? ? 204 VAL D O 1 +ATOM 7527 C CB . VAL D 1 205 ? 12.494 5.331 132.601 1.00 19.76 ? ? ? ? ? ? 204 VAL D CB 1 +ATOM 7528 C CG1 . VAL D 1 205 ? 11.435 5.940 133.547 1.00 19.70 ? ? ? ? ? ? 204 VAL D CG1 1 +ATOM 7529 C CG2 . VAL D 1 205 ? 12.648 6.230 131.389 1.00 22.04 ? ? ? ? ? ? 204 VAL D CG2 1 +ATOM 7530 N N . PRO D 1 206 ? 13.462 4.890 135.731 1.00 21.61 ? ? ? ? ? ? 205 PRO D N 1 +ATOM 7531 C CA . PRO D 1 206 ? 13.162 4.083 136.922 1.00 22.56 ? ? ? ? ? ? 205 PRO D CA 1 +ATOM 7532 C C . PRO D 1 206 ? 11.740 3.490 136.913 1.00 22.80 ? ? ? ? ? ? 205 PRO D C 1 +ATOM 7533 O O . PRO D 1 206 ? 10.778 4.168 136.538 1.00 23.22 ? ? ? ? ? ? 205 PRO D O 1 +ATOM 7534 C CB . PRO D 1 206 ? 13.319 5.093 138.070 1.00 22.77 ? ? ? ? ? ? 205 PRO D CB 1 +ATOM 7535 C CG . PRO D 1 206 ? 13.032 6.412 137.435 1.00 22.05 ? ? ? ? ? ? 205 PRO D CG 1 +ATOM 7536 C CD . PRO D 1 206 ? 13.625 6.320 136.049 1.00 22.63 ? ? ? ? ? ? 205 PRO D CD 1 +ATOM 7537 N N . ARG D 1 207 ? 11.619 2.235 137.319 1.00 23.38 ? ? ? ? ? ? 206 ARG D N 1 +ATOM 7538 C CA . ARG D 1 207 ? 10.310 1.608 137.522 1.00 25.07 ? ? ? ? ? ? 206 ARG D CA 1 +ATOM 7539 C C . ARG D 1 207 ? 9.491 2.451 138.530 1.00 22.62 ? ? ? ? ? ? 206 ARG D C 1 +ATOM 7540 O O . ARG D 1 207 ? 10.033 2.983 139.474 1.00 21.33 ? ? ? ? ? ? 206 ARG D O 1 +ATOM 7541 C CB . ARG D 1 207 ? 10.527 0.176 138.018 1.00 26.33 ? ? ? ? ? ? 206 ARG D CB 1 +ATOM 7542 C CG . ARG D 1 207 ? 9.294 -0.597 138.440 1.00 32.61 ? ? ? ? ? ? 206 ARG D CG 1 +ATOM 7543 C CD . ARG D 1 207 ? 9.628 -1.877 139.272 1.00 33.57 ? ? ? ? ? ? 206 ARG D CD 1 +ATOM 7544 N NE . ARG D 1 207 ? 10.558 -2.845 138.641 1.00 44.08 ? ? ? ? ? ? 206 ARG D NE 1 +ATOM 7545 C CZ . ARG D 1 207 ? 10.240 -3.739 137.688 1.00 47.86 ? ? ? ? ? ? 206 ARG D CZ 1 +ATOM 7546 N NH1 . ARG D 1 207 ? 9.006 -3.829 137.171 1.00 44.96 ? ? ? ? ? ? 206 ARG D NH1 1 +ATOM 7547 N NH2 . ARG D 1 207 ? 11.187 -4.565 137.249 1.00 46.97 ? ? ? ? ? ? 206 ARG D NH2 1 +ATOM 7548 N N . HIS D 1 208 ? 8.197 2.625 138.294 1.00 22.81 ? ? ? ? ? ? 207 HIS D N 1 +ATOM 7549 C CA . HIS D 1 208 ? 7.345 3.319 139.265 1.00 22.50 ? ? ? ? ? ? 207 HIS D CA 1 +ATOM 7550 C C . HIS D 1 208 ? 6.689 2.242 140.087 1.00 24.00 ? ? ? ? ? ? 207 HIS D C 1 +ATOM 7551 O O . HIS D 1 208 ? 5.950 1.393 139.565 1.00 23.79 ? ? ? ? ? ? 207 HIS D O 1 +ATOM 7552 C CB . HIS D 1 208 ? 6.332 4.234 138.602 1.00 22.30 ? ? ? ? ? ? 207 HIS D CB 1 +ATOM 7553 C CG . HIS D 1 208 ? 6.952 5.395 137.887 1.00 23.13 ? ? ? ? ? ? 207 HIS D CG 1 +ATOM 7554 N ND1 . HIS D 1 208 ? 6.313 6.609 137.741 1.00 24.99 ? ? ? ? ? ? 207 HIS D ND1 1 +ATOM 7555 C CD2 . HIS D 1 208 ? 8.165 5.534 137.292 1.00 18.16 ? ? ? ? ? ? 207 HIS D CD2 1 +ATOM 7556 C CE1 . HIS D 1 208 ? 7.098 7.441 137.078 1.00 20.74 ? ? ? ? ? ? 207 HIS D CE1 1 +ATOM 7557 N NE2 . HIS D 1 208 ? 8.225 6.808 136.790 1.00 21.41 ? ? ? ? ? ? 207 HIS D NE2 1 +ATOM 7558 N N . TRP D 1 209 ? 7.016 2.229 141.366 1.00 23.90 ? ? ? ? ? ? 208 TRP D N 1 +ATOM 7559 C CA . TRP D 1 209 ? 6.524 1.193 142.276 1.00 24.34 ? ? ? ? ? ? 208 TRP D CA 1 +ATOM 7560 C C . TRP D 1 209 ? 5.009 1.164 142.371 1.00 25.46 ? ? ? ? ? ? 208 TRP D C 1 +ATOM 7561 O O . TRP D 1 209 ? 4.406 0.093 142.476 1.00 25.11 ? ? ? ? ? ? 208 TRP D O 1 +ATOM 7562 C CB . TRP D 1 209 ? 7.121 1.353 143.672 1.00 23.43 ? ? ? ? ? ? 208 TRP D CB 1 +ATOM 7563 C CG . TRP D 1 209 ? 7.992 0.208 144.039 1.00 23.46 ? ? ? ? ? ? 208 TRP D CG 1 +ATOM 7564 C CD1 . TRP D 1 209 ? 7.755 -0.727 145.001 1.00 24.20 ? ? ? ? ? ? 208 TRP D CD1 1 +ATOM 7565 C CD2 . TRP D 1 209 ? 9.239 -0.145 143.436 1.00 23.87 ? ? ? ? ? ? 208 TRP D CD2 1 +ATOM 7566 N NE1 . TRP D 1 209 ? 8.792 -1.637 145.049 1.00 22.61 ? ? ? ? ? ? 208 TRP D NE1 1 +ATOM 7567 C CE2 . TRP D 1 209 ? 9.705 -1.312 144.085 1.00 25.21 ? ? ? ? ? ? 208 TRP D CE2 1 +ATOM 7568 C CE3 . TRP D 1 209 ? 10.004 0.406 142.407 1.00 24.43 ? ? ? ? ? ? 208 TRP D CE3 1 +ATOM 7569 C CZ2 . TRP D 1 209 ? 10.913 -1.914 143.755 1.00 24.47 ? ? ? ? ? ? 208 TRP D CZ2 1 +ATOM 7570 C CZ3 . TRP D 1 209 ? 11.191 -0.189 142.089 1.00 27.01 ? ? ? ? ? ? 208 TRP D CZ3 1 +ATOM 7571 C CH2 . TRP D 1 209 ? 11.634 -1.345 142.750 1.00 27.92 ? ? ? ? ? ? 208 TRP D CH2 1 +ATOM 7572 N N . ASP D 1 210 ? 4.396 2.345 142.320 1.00 25.77 ? ? ? ? ? ? 209 ASP D N 1 +ATOM 7573 C CA . ASP D 1 210 ? 2.949 2.431 142.419 1.00 27.97 ? ? ? ? ? ? 209 ASP D CA 1 +ATOM 7574 C C . ASP D 1 210 ? 2.239 1.822 141.197 1.00 29.26 ? ? ? ? ? ? 209 ASP D C 1 +ATOM 7575 O O . ASP D 1 210 ? 1.076 1.468 141.316 1.00 29.40 ? ? ? ? ? ? 209 ASP D O 1 +ATOM 7576 C CB . ASP D 1 210 ? 2.479 3.864 142.686 1.00 27.18 ? ? ? ? ? ? 209 ASP D CB 1 +ATOM 7577 C CG . ASP D 1 210 ? 2.832 4.807 141.577 1.00 29.58 ? ? ? ? ? ? 209 ASP D CG 1 +ATOM 7578 O OD1 . ASP D 1 210 ? 4.004 4.800 141.139 1.00 25.67 ? ? ? ? ? ? 209 ASP D OD1 1 +ATOM 7579 O OD2 . ASP D 1 210 ? 1.940 5.569 141.144 1.00 34.55 ? ? ? ? ? ? 209 ASP D OD2 1 +ATOM 7580 N N . LYS D 1 211 ? 2.928 1.665 140.051 1.00 29.48 ? ? ? ? ? ? 210 LYS D N 1 +ATOM 7581 C CA . LYS D 1 211 ? 2.319 1.070 138.849 1.00 29.38 ? ? ? ? ? ? 210 LYS D CA 1 +ATOM 7582 C C . LYS D 1 211 ? 2.826 -0.337 138.537 1.00 29.91 ? ? ? ? ? ? 210 LYS D C 1 +ATOM 7583 O O . LYS D 1 211 ? 2.131 -1.144 137.916 1.00 31.22 ? ? ? ? ? ? 210 LYS D O 1 +ATOM 7584 C CB . LYS D 1 211 ? 2.599 1.951 137.650 1.00 29.91 ? ? ? ? ? ? 210 LYS D CB 1 +ATOM 7585 C CG . LYS D 1 211 ? 2.314 3.430 137.849 1.00 30.80 ? ? ? ? ? ? 210 LYS D CG 1 +ATOM 7586 C CD . LYS D 1 211 ? 0.855 3.741 137.702 1.00 39.81 ? ? ? ? ? ? 210 LYS D CD 1 +ATOM 7587 C CE . LYS D 1 211 ? 0.630 5.209 137.411 1.00 45.25 ? ? ? ? ? ? 210 LYS D CE 1 +ATOM 7588 N NZ . LYS D 1 211 ? 1.398 6.082 138.331 1.00 51.40 ? ? ? ? ? ? 210 LYS D NZ 1 +ATOM 7589 N N . ALA D 1 212 ? 4.042 -0.629 138.985 1.00 28.93 ? ? ? ? ? ? 211 ALA D N 1 +ATOM 7590 C CA . ALA D 1 212 ? 4.744 -1.844 138.621 1.00 29.35 ? ? ? ? ? ? 211 ALA D CA 1 +ATOM 7591 C C . ALA D 1 212 ? 4.667 -2.985 139.659 1.00 30.46 ? ? ? ? ? ? 211 ALA D C 1 +ATOM 7592 O O . ALA D 1 212 ? 5.011 -4.114 139.336 1.00 31.75 ? ? ? ? ? ? 211 ALA D O 1 +ATOM 7593 C CB . ALA D 1 212 ? 6.187 -1.523 138.324 1.00 27.36 ? ? ? ? ? ? 211 ALA D CB 1 +ATOM 7594 N N . THR D 1 213 ? 4.268 -2.684 140.897 1.00 30.52 ? ? ? ? ? ? 212 THR D N 1 +ATOM 7595 C CA . THR D 1 213 ? 4.214 -3.692 141.973 1.00 31.29 ? ? ? ? ? ? 212 THR D CA 1 +ATOM 7596 C C . THR D 1 213 ? 2.861 -3.587 142.665 1.00 32.32 ? ? ? ? ? ? 212 THR D C 1 +ATOM 7597 O O . THR D 1 213 ? 2.180 -2.578 142.539 1.00 34.96 ? ? ? ? ? ? 212 THR D O 1 +ATOM 7598 C CB . THR D 1 213 ? 5.306 -3.478 143.082 1.00 33.20 ? ? ? ? ? ? 212 THR D CB 1 +ATOM 7599 O OG1 . THR D 1 213 ? 4.976 -2.301 143.841 1.00 34.18 ? ? ? ? ? ? 212 THR D OG1 1 +ATOM 7600 C CG2 . THR D 1 213 ? 6.701 -3.329 142.519 1.00 25.22 ? ? ? ? ? ? 212 THR D CG2 1 +ATOM 7601 N N . VAL D 1 214 ? 2.490 -4.637 143.398 1.00 32.59 ? ? ? ? ? ? 213 VAL D N 1 +ATOM 7602 C CA . VAL D 1 214 ? 1.293 -4.639 144.236 1.00 33.33 ? ? ? ? ? ? 213 VAL D CA 1 +ATOM 7603 C C . VAL D 1 214 ? 1.688 -4.703 145.724 1.00 31.50 ? ? ? ? ? ? 213 VAL D C 1 +ATOM 7604 O O . VAL D 1 214 ? 1.171 -3.936 146.548 1.00 32.05 ? ? ? ? ? ? 213 VAL D O 1 +ATOM 7605 C CB . VAL D 1 214 ? 0.375 -5.803 143.886 1.00 34.20 ? ? ? ? ? ? 213 VAL D CB 1 +ATOM 7606 C CG1 . VAL D 1 214 ? -0.818 -5.834 144.818 1.00 37.54 ? ? ? ? ? ? 213 VAL D CG1 1 +ATOM 7607 C CG2 . VAL D 1 214 ? -0.061 -5.709 142.411 1.00 35.64 ? ? ? ? ? ? 213 VAL D CG2 1 +ATOM 7608 N N . ASP D 1 215 ? 2.621 -5.593 146.053 1.00 28.91 ? ? ? ? ? ? 214 ASP D N 1 +ATOM 7609 C CA . ASP D 1 215 ? 3.047 -5.799 147.435 1.00 28.81 ? ? ? ? ? ? 214 ASP D CA 1 +ATOM 7610 C C . ASP D 1 215 ? 4.391 -5.121 147.776 1.00 27.15 ? ? ? ? ? ? 214 ASP D C 1 +ATOM 7611 O O . ASP D 1 215 ? 4.853 -5.214 148.904 1.00 25.97 ? ? ? ? ? ? 214 ASP D O 1 +ATOM 7612 C CB . ASP D 1 215 ? 3.060 -7.318 147.756 1.00 27.08 ? ? ? ? ? ? 214 ASP D CB 1 +ATOM 7613 C CG . ASP D 1 215 ? 3.935 -8.134 146.801 1.00 29.49 ? ? ? ? ? ? 214 ASP D CG 1 +ATOM 7614 O OD1 . ASP D 1 215 ? 4.908 -7.590 146.255 1.00 30.97 ? ? ? ? ? ? 214 ASP D OD1 1 +ATOM 7615 O OD2 . ASP D 1 215 ? 3.653 -9.326 146.570 1.00 27.87 ? ? ? ? ? ? 214 ASP D OD2 1 +ATOM 7616 N N . SER D 1 216 ? 4.969 -4.405 146.812 1.00 25.78 ? ? ? ? ? ? 215 SER D N 1 +ATOM 7617 C CA . SER D 1 216 ? 6.302 -3.737 146.909 1.00 25.43 ? ? ? ? ? ? 215 SER D CA 1 +ATOM 7618 C C . SER D 1 216 ? 7.477 -4.646 146.532 1.00 25.17 ? ? ? ? ? ? 215 SER D C 1 +ATOM 7619 O O . SER D 1 216 ? 8.605 -4.191 146.381 1.00 26.53 ? ? ? ? ? ? 215 SER D O 1 +ATOM 7620 C CB . SER D 1 216 ? 6.556 -3.014 148.257 1.00 23.00 ? ? ? ? ? ? 215 SER D CB 1 +ATOM 7621 O OG . SER D 1 216 ? 7.077 -3.838 149.278 1.00 24.30 ? ? ? ? ? ? 215 SER D OG 1 +ATOM 7622 N N . GLY D 1 217 ? 7.224 -5.933 146.367 1.00 23.55 ? ? ? ? ? ? 216 GLY D N 1 +ATOM 7623 C CA . GLY D 1 217 ? 8.275 -6.828 145.961 1.00 22.77 ? ? ? ? ? ? 216 GLY D CA 1 +ATOM 7624 C C . GLY D 1 217 ? 8.279 -6.939 144.463 1.00 22.48 ? ? ? ? ? ? 216 GLY D C 1 +ATOM 7625 O O . GLY D 1 217 ? 7.262 -6.661 143.812 1.00 21.78 ? ? ? ? ? ? 216 GLY D O 1 +ATOM 7626 N N . VAL D 1 218 ? 9.438 -7.337 143.928 1.00 23.46 ? ? ? ? ? ? 217 VAL D N 1 +ATOM 7627 C CA . VAL D 1 218 ? 9.582 -7.711 142.510 1.00 23.79 ? ? ? ? ? ? 217 VAL D CA 1 +ATOM 7628 C C . VAL D 1 218 ? 10.239 -9.105 142.420 1.00 24.48 ? ? ? ? ? ? 217 VAL D C 1 +ATOM 7629 O O . VAL D 1 218 ? 11.455 -9.268 142.502 1.00 24.35 ? ? ? ? ? ? 217 VAL D O 1 +ATOM 7630 C CB . VAL D 1 218 ? 10.382 -6.699 141.695 1.00 21.90 ? ? ? ? ? ? 217 VAL D CB 1 +ATOM 7631 C CG1 . VAL D 1 218 ? 10.381 -7.108 140.221 1.00 22.73 ? ? ? ? ? ? 217 VAL D CG1 1 +ATOM 7632 C CG2 . VAL D 1 218 ? 9.851 -5.288 141.873 1.00 20.27 ? ? ? ? ? ? 217 VAL D CG2 1 +ATOM 7633 N N . GLY D 1 219 ? 9.409 -10.111 142.257 1.00 25.24 ? ? ? ? ? ? 218 GLY D N 1 +ATOM 7634 C CA . GLY D 1 219 ? 9.884 -11.482 142.241 1.00 26.07 ? ? ? ? ? ? 218 GLY D CA 1 +ATOM 7635 C C . GLY D 1 219 ? 9.185 -12.325 143.285 1.00 26.35 ? ? ? ? ? ? 218 GLY D C 1 +ATOM 7636 O O . GLY D 1 219 ? 9.039 -11.910 144.439 1.00 26.09 ? ? ? ? ? ? 218 GLY D O 1 +ATOM 7637 N N . ASN D 1 220 ? 8.800 -13.530 142.881 1.00 27.21 ? ? ? ? ? ? 219 ASN D N 1 +ATOM 7638 C CA . ASN D 1 220 ? 8.201 -14.504 143.790 1.00 26.52 ? ? ? ? ? ? 219 ASN D CA 1 +ATOM 7639 C C . ASN D 1 220 ? 9.252 -15.096 144.743 1.00 24.47 ? ? ? ? ? ? 219 ASN D C 1 +ATOM 7640 O O . ASN D 1 220 ? 10.202 -15.764 144.300 1.00 24.78 ? ? ? ? ? ? 219 ASN D O 1 +ATOM 7641 C CB . ASN D 1 220 ? 7.481 -15.612 143.013 1.00 27.95 ? ? ? ? ? ? 219 ASN D CB 1 +ATOM 7642 C CG . ASN D 1 220 ? 6.437 -16.319 143.860 1.00 31.35 ? ? ? ? ? ? 219 ASN D CG 1 +ATOM 7643 O OD1 . ASN D 1 220 ? 6.625 -16.495 145.071 1.00 29.59 ? ? ? ? ? ? 219 ASN D OD1 1 +ATOM 7644 N ND2 . ASN D 1 220 ? 5.313 -16.675 143.250 1.00 25.92 ? ? ? ? ? ? 219 ASN D ND2 1 +ATOM 7645 N N . PRO D 1 221 ? 9.084 -14.844 146.055 1.00 23.35 ? ? ? ? ? ? 220 PRO D N 1 +ATOM 7646 C CA . PRO D 1 221 ? 10.010 -15.355 147.089 1.00 24.91 ? ? ? ? ? ? 220 PRO D CA 1 +ATOM 7647 C C . PRO D 1 221 ? 9.684 -16.747 147.675 1.00 25.88 ? ? ? ? ? ? 220 PRO D C 1 +ATOM 7648 O O . PRO D 1 221 ? 10.395 -17.239 148.559 1.00 24.11 ? ? ? ? ? ? 220 PRO D O 1 +ATOM 7649 C CB . PRO D 1 221 ? 9.858 -14.319 148.201 1.00 23.83 ? ? ? ? ? ? 220 PRO D CB 1 +ATOM 7650 C CG . PRO D 1 221 ? 8.419 -13.912 148.119 1.00 22.38 ? ? ? ? ? ? 220 PRO D CG 1 +ATOM 7651 C CD . PRO D 1 221 ? 8.008 -14.032 146.656 1.00 21.09 ? ? ? ? ? ? 220 PRO D CD 1 +ATOM 7652 N N . LYS D 1 222 ? 8.627 -17.374 147.192 1.00 27.33 ? ? ? ? ? ? 221 LYS D N 1 +ATOM 7653 C CA . LYS D 1 222 ? 7.995 -18.419 147.966 1.00 30.12 ? ? ? ? ? ? 221 LYS D CA 1 +ATOM 7654 C C . LYS D 1 222 ? 8.775 -19.717 148.032 1.00 27.11 ? ? ? ? ? ? 221 LYS D C 1 +ATOM 7655 O O . LYS D 1 222 ? 8.525 -20.521 148.920 1.00 26.79 ? ? ? ? ? ? 221 LYS D O 1 +ATOM 7656 C CB . LYS D 1 222 ? 6.540 -18.572 147.528 1.00 28.88 ? ? ? ? ? ? 221 LYS D CB 1 +ATOM 7657 C CG . LYS D 1 222 ? 5.757 -17.284 147.937 1.00 39.95 ? ? ? ? ? ? 221 LYS D CG 1 +ATOM 7658 C CD . LYS D 1 222 ? 4.231 -17.417 147.929 1.00 37.75 ? ? ? ? ? ? 221 LYS D CD 1 +ATOM 7659 C CE . LYS D 1 222 ? 3.584 -16.194 148.552 1.00 41.11 ? ? ? ? ? ? 221 LYS D CE 1 +ATOM 7660 N NZ . LYS D 1 222 ? 2.086 -16.079 148.320 1.00 39.82 ? ? ? ? ? ? 221 LYS D NZ 1 +ATOM 7661 N N . LYS D 1 223 ? 9.753 -19.897 147.142 1.00 26.80 ? ? ? ? ? ? 222 LYS D N 1 +ATOM 7662 C CA . LYS D 1 223 ? 10.642 -21.047 147.211 1.00 26.34 ? ? ? ? ? ? 222 LYS D CA 1 +ATOM 7663 C C . LYS D 1 223 ? 11.933 -20.750 147.974 1.00 25.16 ? ? ? ? ? ? 222 LYS D C 1 +ATOM 7664 O O . LYS D 1 223 ? 12.863 -21.519 147.933 1.00 24.21 ? ? ? ? ? ? 222 LYS D O 1 +ATOM 7665 C CB . LYS D 1 223 ? 10.973 -21.533 145.814 1.00 28.66 ? ? ? ? ? ? 222 LYS D CB 1 +ATOM 7666 C CG . LYS D 1 223 ? 9.729 -21.915 145.008 1.00 33.90 ? ? ? ? ? ? 222 LYS D CG 1 +ATOM 7667 C CD . LYS D 1 223 ? 10.135 -22.592 143.720 1.00 43.80 ? ? ? ? ? ? 222 LYS D CD 1 +ATOM 7668 C CE . LYS D 1 223 ? 8.959 -22.840 142.787 1.00 49.27 ? ? ? ? ? ? 222 LYS D CE 1 +ATOM 7669 N NZ . LYS D 1 223 ? 9.476 -22.989 141.389 1.00 52.78 ? ? ? ? ? ? 222 LYS D NZ 1 +ATOM 7670 N N . ALA D 1 224 ? 11.981 -19.630 148.681 1.00 24.08 ? ? ? ? ? ? 223 ALA D N 1 +ATOM 7671 C CA . ALA D 1 224 ? 13.116 -19.308 149.536 1.00 22.69 ? ? ? ? ? ? 223 ALA D CA 1 +ATOM 7672 C C . ALA D 1 224 ? 13.278 -20.326 150.658 1.00 22.62 ? ? ? ? ? ? 223 ALA D C 1 +ATOM 7673 O O . ALA D 1 224 ? 12.308 -20.847 151.194 1.00 21.73 ? ? ? ? ? ? 223 ALA D O 1 +ATOM 7674 C CB . ALA D 1 224 ? 12.964 -17.909 150.115 1.00 20.03 ? ? ? ? ? ? 223 ALA D CB 1 +ATOM 7675 N N . THR D 1 225 ? 14.531 -20.606 150.991 1.00 22.13 ? ? ? ? ? ? 224 THR D N 1 +ATOM 7676 C CA . THR D 1 225 ? 14.897 -21.375 152.184 1.00 21.98 ? ? ? ? ? ? 224 THR D CA 1 +ATOM 7677 C C . THR D 1 225 ? 16.194 -20.843 152.805 1.00 21.84 ? ? ? ? ? ? 224 THR D C 1 +ATOM 7678 O O . THR D 1 225 ? 17.016 -20.234 152.145 1.00 21.61 ? ? ? ? ? ? 224 THR D O 1 +ATOM 7679 C CB . THR D 1 225 ? 15.057 -22.914 151.913 1.00 21.54 ? ? ? ? ? ? 224 THR D CB 1 +ATOM 7680 O OG1 . THR D 1 225 ? 16.231 -23.163 151.142 1.00 20.71 ? ? ? ? ? ? 224 THR D OG1 1 +ATOM 7681 C CG2 . THR D 1 225 ? 13.865 -23.484 151.184 1.00 20.79 ? ? ? ? ? ? 224 THR D CG2 1 +ATOM 7682 N N . ALA D 1 226 ? 16.370 -21.087 154.093 1.00 21.49 ? ? ? ? ? ? 225 ALA D N 1 +ATOM 7683 C CA . ALA D 1 226 ? 17.596 -20.741 154.771 1.00 21.66 ? ? ? ? ? ? 225 ALA D CA 1 +ATOM 7684 C C . ALA D 1 226 ? 18.812 -21.468 154.184 1.00 23.79 ? ? ? ? ? ? 225 ALA D C 1 +ATOM 7685 O O . ALA D 1 226 ? 19.894 -20.920 154.125 1.00 23.74 ? ? ? ? ? ? 225 ALA D O 1 +ATOM 7686 C CB . ALA D 1 226 ? 17.468 -20.997 156.285 1.00 18.86 ? ? ? ? ? ? 225 ALA D CB 1 +ATOM 7687 N N . GLU D 1 227 ? 18.632 -22.707 153.750 1.00 25.84 ? ? ? ? ? ? 226 GLU D N 1 +ATOM 7688 C CA . GLU D 1 227 ? 19.742 -23.487 153.252 1.00 24.55 ? ? ? ? ? ? 226 GLU D CA 1 +ATOM 7689 C C . GLU D 1 227 ? 20.227 -22.957 151.894 1.00 23.70 ? ? ? ? ? ? 226 GLU D C 1 +ATOM 7690 O O . GLU D 1 227 ? 21.423 -22.986 151.610 1.00 23.47 ? ? ? ? ? ? 226 GLU D O 1 +ATOM 7691 C CB . GLU D 1 227 ? 19.314 -24.942 153.147 1.00 26.43 ? ? ? ? ? ? 226 GLU D CB 1 +ATOM 7692 C CG . GLU D 1 227 ? 20.426 -25.890 152.848 1.00 39.17 ? ? ? ? ? ? 226 GLU D CG 1 +ATOM 7693 C CD . GLU D 1 227 ? 19.999 -26.978 151.880 1.00 51.41 ? ? ? ? ? ? 226 GLU D CD 1 +ATOM 7694 O OE1 . GLU D 1 227 ? 19.240 -26.659 150.927 1.00 55.21 ? ? ? ? ? ? 226 GLU D OE1 1 +ATOM 7695 O OE2 . GLU D 1 227 ? 20.434 -28.135 152.075 1.00 43.98 ? ? ? ? ? ? 226 GLU D OE2 1 +ATOM 7696 N N . LYS D 1 228 ? 19.307 -22.494 151.063 1.00 22.88 ? ? ? ? ? ? 227 LYS D N 1 +ATOM 7697 C CA . LYS D 1 228 ? 19.645 -21.797 149.818 1.00 23.66 ? ? ? ? ? ? 227 LYS D CA 1 +ATOM 7698 C C . LYS D 1 228 ? 20.470 -20.529 150.062 1.00 23.43 ? ? ? ? ? ? 227 LYS D C 1 +ATOM 7699 O O . LYS D 1 228 ? 21.416 -20.260 149.313 1.00 23.40 ? ? ? ? ? ? 227 LYS D O 1 +ATOM 7700 C CB . LYS D 1 228 ? 18.398 -21.423 149.054 1.00 22.83 ? ? ? ? ? ? 227 LYS D CB 1 +ATOM 7701 C CG . LYS D 1 228 ? 17.802 -22.531 148.213 1.00 22.64 ? ? ? ? ? ? 227 LYS D CG 1 +ATOM 7702 C CD . LYS D 1 228 ? 16.435 -22.068 147.686 1.00 24.95 ? ? ? ? ? ? 227 LYS D CD 1 +ATOM 7703 C CE . LYS D 1 228 ? 15.849 -23.065 146.727 1.00 25.64 ? ? ? ? ? ? 227 LYS D CE 1 +ATOM 7704 N NZ . LYS D 1 228 ? 14.622 -22.527 146.057 1.00 25.75 ? ? ? ? ? ? 227 LYS D NZ 1 +ATOM 7705 N N . GLY D 1 229 ? 20.103 -19.767 151.097 1.00 22.94 ? ? ? ? ? ? 228 GLY D N 1 +ATOM 7706 C CA . GLY D 1 229 ? 20.842 -18.576 151.486 1.00 22.75 ? ? ? ? ? ? 228 GLY D CA 1 +ATOM 7707 C C . GLY D 1 229 ? 22.238 -18.884 152.009 1.00 23.41 ? ? ? ? ? ? 228 GLY D C 1 +ATOM 7708 O O . GLY D 1 229 ? 23.213 -18.250 151.653 1.00 23.28 ? ? ? ? ? ? 228 GLY D O 1 +ATOM 7709 N N . GLU D 1 230 ? 22.324 -19.888 152.851 1.00 24.62 ? ? ? ? ? ? 229 GLU D N 1 +ATOM 7710 C CA . GLU D 1 230 ? 23.580 -20.337 153.400 1.00 26.55 ? ? ? ? ? ? 229 GLU D CA 1 +ATOM 7711 C C . GLU D 1 230 ? 24.552 -20.761 152.331 1.00 25.18 ? ? ? ? ? ? 229 GLU D C 1 +ATOM 7712 O O . GLU D 1 230 ? 25.723 -20.422 152.423 1.00 24.64 ? ? ? ? ? ? 229 GLU D O 1 +ATOM 7713 C CB . GLU D 1 230 ? 23.337 -21.523 154.344 1.00 26.36 ? ? ? ? ? ? 229 GLU D CB 1 +ATOM 7714 C CG . GLU D 1 230 ? 24.598 -22.232 154.832 1.00 29.48 ? ? ? ? ? ? 229 GLU D CG 1 +ATOM 7715 C CD . GLU D 1 230 ? 24.280 -23.535 155.566 1.00 35.49 ? ? ? ? ? ? 229 GLU D CD 1 +ATOM 7716 O OE1 . GLU D 1 230 ? 23.453 -24.344 155.083 1.00 45.16 ? ? ? ? ? ? 229 GLU D OE1 1 +ATOM 7717 O OE2 . GLU D 1 230 ? 24.866 -23.749 156.645 1.00 51.72 ? ? ? ? ? ? 229 GLU D OE2 1 +ATOM 7718 N N . ARG D 1 231 ? 24.061 -21.513 151.345 1.00 24.90 ? ? ? ? ? ? 230 ARG D N 1 +ATOM 7719 C CA . ARG D 1 231 ? 24.867 -21.990 150.221 1.00 26.78 ? ? ? ? ? ? 230 ARG D CA 1 +ATOM 7720 C C . ARG D 1 231 ? 25.381 -20.840 149.315 1.00 24.65 ? ? ? ? ? ? 230 ARG D C 1 +ATOM 7721 O O . ARG D 1 231 ? 26.558 -20.808 148.934 1.00 25.28 ? ? ? ? ? ? 230 ARG D O 1 +ATOM 7722 C CB . ARG D 1 231 ? 24.068 -22.993 149.381 1.00 26.50 ? ? ? ? ? ? 230 ARG D CB 1 +ATOM 7723 C CG . ARG D 1 231 ? 24.797 -23.376 148.077 1.00 32.52 ? ? ? ? ? ? 230 ARG D CG 1 +ATOM 7724 C CD . ARG D 1 231 ? 24.030 -24.355 147.191 1.00 30.10 ? ? ? ? ? ? 230 ARG D CD 1 +ATOM 7725 N NE . ARG D 1 231 ? 23.579 -25.493 147.989 1.00 32.93 ? ? ? ? ? ? 230 ARG D NE 1 +ATOM 7726 C CZ . ARG D 1 231 ? 22.321 -25.707 148.387 1.00 36.67 ? ? ? ? ? ? 230 ARG D CZ 1 +ATOM 7727 N NH1 . ARG D 1 231 ? 21.322 -24.870 148.037 1.00 29.98 ? ? ? ? ? ? 230 ARG D NH1 1 +ATOM 7728 N NH2 . ARG D 1 231 ? 22.049 -26.791 149.119 1.00 40.21 ? ? ? ? ? ? 230 ARG D NH2 1 +ATOM 7729 N N . TYR D 1 232 ? 24.494 -19.914 149.006 1.00 22.84 ? ? ? ? ? ? 231 TYR D N 1 +ATOM 7730 C CA . TYR D 1 232 ? 24.783 -18.745 148.158 1.00 22.84 ? ? ? ? ? ? 231 TYR D CA 1 +ATOM 7731 C C . TYR D 1 232 ? 25.826 -17.792 148.742 1.00 22.20 ? ? ? ? ? ? 231 TYR D C 1 +ATOM 7732 O O . TYR D 1 232 ? 26.715 -17.349 148.026 1.00 24.33 ? ? ? ? ? ? 231 TYR D O 1 +ATOM 7733 C CB . TYR D 1 232 ? 23.476 -17.972 147.876 1.00 21.43 ? ? ? ? ? ? 231 TYR D CB 1 +ATOM 7734 C CG . TYR D 1 232 ? 23.581 -16.841 146.875 1.00 24.75 ? ? ? ? ? ? 231 TYR D CG 1 +ATOM 7735 C CD1 . TYR D 1 232 ? 24.229 -17.003 145.638 1.00 22.41 ? ? ? ? ? ? 231 TYR D CD1 1 +ATOM 7736 C CD2 . TYR D 1 232 ? 23.013 -15.610 147.151 1.00 21.79 ? ? ? ? ? ? 231 TYR D CD2 1 +ATOM 7737 C CE1 . TYR D 1 232 ? 24.309 -15.912 144.707 1.00 21.55 ? ? ? ? ? ? 231 TYR D CE1 1 +ATOM 7738 C CE2 . TYR D 1 232 ? 23.085 -14.530 146.238 1.00 19.69 ? ? ? ? ? ? 231 TYR D CE2 1 +ATOM 7739 C CZ . TYR D 1 232 ? 23.745 -14.686 145.033 1.00 20.45 ? ? ? ? ? ? 231 TYR D CZ 1 +ATOM 7740 O OH . TYR D 1 232 ? 23.798 -13.596 144.174 1.00 23.46 ? ? ? ? ? ? 231 TYR D OH 1 +ATOM 7741 N N . VAL D 1 233 ? 25.711 -17.462 150.021 1.00 22.40 ? ? ? ? ? ? 232 VAL D N 1 +ATOM 7742 C CA . VAL D 1 233 ? 26.629 -16.484 150.632 1.00 22.07 ? ? ? ? ? ? 232 VAL D CA 1 +ATOM 7743 C C . VAL D 1 233 ? 28.040 -17.018 150.819 1.00 23.34 ? ? ? ? ? ? 232 VAL D C 1 +ATOM 7744 O O . VAL D 1 233 ? 28.963 -16.216 150.913 1.00 23.28 ? ? ? ? ? ? 232 VAL D O 1 +ATOM 7745 C CB . VAL D 1 233 ? 26.155 -15.953 152.012 1.00 23.32 ? ? ? ? ? ? 232 VAL D CB 1 +ATOM 7746 C CG1 . VAL D 1 233 ? 24.729 -15.400 151.956 1.00 22.17 ? ? ? ? ? ? 232 VAL D CG1 1 +ATOM 7747 C CG2 . VAL D 1 233 ? 26.271 -17.024 153.086 1.00 20.63 ? ? ? ? ? ? 232 VAL D CG2 1 +ATOM 7748 N N . LYS D 1 234 ? 28.226 -18.342 150.875 1.00 23.16 ? ? ? ? ? ? 233 LYS D N 1 +ATOM 7749 C CA A LYS D 1 234 ? 29.575 -18.934 151.016 0.50 22.55 ? ? ? ? ? ? 233 LYS D CA 1 +ATOM 7750 C CA B LYS D 1 234 ? 29.583 -18.905 151.036 0.50 22.94 ? ? ? ? ? ? 233 LYS D CA 1 +ATOM 7751 C C . LYS D 1 234 ? 30.588 -18.416 149.969 1.00 22.30 ? ? ? ? ? ? 233 LYS D C 1 +ATOM 7752 O O . LYS D 1 234 ? 31.638 -17.902 150.310 1.00 23.26 ? ? ? ? ? ? 233 LYS D O 1 +ATOM 7753 C CB A LYS D 1 234 ? 29.514 -20.475 150.964 0.50 22.86 ? ? ? ? ? ? 233 LYS D CB 1 +ATOM 7754 C CB B LYS D 1 234 ? 29.579 -20.447 151.113 0.50 23.50 ? ? ? ? ? ? 233 LYS D CB 1 +ATOM 7755 C CG A LYS D 1 234 ? 29.002 -21.138 152.233 0.50 20.32 ? ? ? ? ? ? 233 LYS D CG 1 +ATOM 7756 C CG B LYS D 1 234 ? 31.000 -21.051 151.191 0.50 22.91 ? ? ? ? ? ? 233 LYS D CG 1 +ATOM 7757 C CD A LYS D 1 234 ? 28.975 -22.654 152.099 0.50 22.39 ? ? ? ? ? ? 233 LYS D CD 1 +ATOM 7758 C CD B LYS D 1 234 ? 31.033 -22.434 151.798 0.50 23.10 ? ? ? ? ? ? 233 LYS D CD 1 +ATOM 7759 C CE A LYS D 1 234 ? 28.002 -23.334 153.060 0.50 24.10 ? ? ? ? ? ? 233 LYS D CE 1 +ATOM 7760 C CE B LYS D 1 234 ? 32.450 -22.980 151.821 0.50 28.63 ? ? ? ? ? ? 233 LYS D CE 1 +ATOM 7761 N NZ A LYS D 1 234 ? 27.314 -24.458 152.364 0.50 21.31 ? ? ? ? ? ? 233 LYS D NZ 1 +ATOM 7762 N NZ B LYS D 1 234 ? 32.448 -24.450 152.031 0.50 28.87 ? ? ? ? ? ? 233 LYS D NZ 1 +ATOM 7763 N N . PRO D 1 235 ? 30.281 -18.566 148.679 1.00 21.62 ? ? ? ? ? ? 234 PRO D N 1 +ATOM 7764 C CA . PRO D 1 235 ? 31.223 -17.975 147.690 1.00 22.01 ? ? ? ? ? ? 234 PRO D CA 1 +ATOM 7765 C C . PRO D 1 235 ? 31.281 -16.439 147.639 1.00 20.56 ? ? ? ? ? ? 234 PRO D C 1 +ATOM 7766 O O . PRO D 1 235 ? 32.296 -15.900 147.238 1.00 20.87 ? ? ? ? ? ? 234 PRO D O 1 +ATOM 7767 C CB . PRO D 1 235 ? 30.706 -18.516 146.342 1.00 21.86 ? ? ? ? ? ? 234 PRO D CB 1 +ATOM 7768 C CG . PRO D 1 235 ? 29.231 -18.678 146.579 1.00 20.97 ? ? ? ? ? ? 234 PRO D CG 1 +ATOM 7769 C CD . PRO D 1 235 ? 29.170 -19.242 148.007 1.00 23.08 ? ? ? ? ? ? 234 PRO D CD 1 +ATOM 7770 N N . ILE D 1 236 ? 30.199 -15.746 147.984 1.00 21.52 ? ? ? ? ? ? 235 ILE D N 1 +ATOM 7771 C CA . ILE D 1 236 ? 30.194 -14.268 148.099 1.00 20.49 ? ? ? ? ? ? 235 ILE D CA 1 +ATOM 7772 C C . ILE D 1 236 ? 31.204 -13.850 149.174 1.00 20.75 ? ? ? ? ? ? 235 ILE D C 1 +ATOM 7773 O O . ILE D 1 236 ? 32.111 -13.051 148.925 1.00 22.09 ? ? ? ? ? ? 235 ILE D O 1 +ATOM 7774 C CB . ILE D 1 236 ? 28.772 -13.712 148.442 1.00 21.03 ? ? ? ? ? ? 235 ILE D CB 1 +ATOM 7775 C CG1 . ILE D 1 236 ? 27.765 -14.037 147.334 1.00 13.82 ? ? ? ? ? ? 235 ILE D CG1 1 +ATOM 7776 C CG2 . ILE D 1 236 ? 28.790 -12.196 148.713 1.00 18.08 ? ? ? ? ? ? 235 ILE D CG2 1 +ATOM 7777 C CD1 . ILE D 1 236 ? 26.318 -13.761 147.768 1.00 16.68 ? ? ? ? ? ? 235 ILE D CD1 1 +ATOM 7778 N N . VAL D 1 237 ? 31.056 -14.427 150.363 1.00 20.29 ? ? ? ? ? ? 236 VAL D N 1 +ATOM 7779 C CA . VAL D 1 237 ? 31.975 -14.199 151.472 1.00 20.39 ? ? ? ? ? ? 236 VAL D CA 1 +ATOM 7780 C C . VAL D 1 237 ? 33.447 -14.515 151.096 1.00 21.65 ? ? ? ? ? ? 236 VAL D C 1 +ATOM 7781 O O . VAL D 1 237 ? 34.379 -13.767 151.456 1.00 22.32 ? ? ? ? ? ? 236 VAL D O 1 +ATOM 7782 C CB . VAL D 1 237 ? 31.520 -15.011 152.759 1.00 21.54 ? ? ? ? ? ? 236 VAL D CB 1 +ATOM 7783 C CG1 . VAL D 1 237 ? 32.639 -15.064 153.789 1.00 19.96 ? ? ? ? ? ? 236 VAL D CG1 1 +ATOM 7784 C CG2 . VAL D 1 237 ? 30.257 -14.419 153.373 1.00 17.07 ? ? ? ? ? ? 236 VAL D CG2 1 +ATOM 7785 N N . GLU D 1 238 ? 33.672 -15.617 150.380 1.00 22.77 ? ? ? ? ? ? 237 GLU D N 1 +ATOM 7786 C CA . GLU D 1 238 ? 35.010 -16.008 150.018 1.00 23.31 ? ? ? ? ? ? 237 GLU D CA 1 +ATOM 7787 C C . GLU D 1 238 ? 35.633 -15.027 149.005 1.00 21.95 ? ? ? ? ? ? 237 GLU D C 1 +ATOM 7788 O O . GLU D 1 238 ? 36.807 -14.673 149.137 1.00 22.14 ? ? ? ? ? ? 237 GLU D O 1 +ATOM 7789 C CB . GLU D 1 238 ? 35.011 -17.438 149.461 1.00 25.49 ? ? ? ? ? ? 237 GLU D CB 1 +ATOM 7790 C CG . GLU D 1 238 ? 36.363 -18.155 149.532 1.00 31.98 ? ? ? ? ? ? 237 GLU D CG 1 +ATOM 7791 C CD . GLU D 1 238 ? 37.366 -17.657 148.490 1.00 39.50 ? ? ? ? ? ? 237 GLU D CD 1 +ATOM 7792 O OE1 . GLU D 1 238 ? 36.918 -17.085 147.471 1.00 45.63 ? ? ? ? ? ? 237 GLU D OE1 1 +ATOM 7793 O OE2 . GLU D 1 238 ? 38.594 -17.853 148.684 1.00 39.11 ? ? ? ? ? ? 237 GLU D OE2 1 +ATOM 7794 N N . LYS D 1 239 ? 34.878 -14.620 147.985 1.00 21.85 ? ? ? ? ? ? 238 LYS D N 1 +ATOM 7795 C CA . LYS D 1 239 ? 35.375 -13.625 147.029 1.00 23.13 ? ? ? ? ? ? 238 LYS D CA 1 +ATOM 7796 C C . LYS D 1 239 ? 35.623 -12.250 147.661 1.00 22.24 ? ? ? ? ? ? 238 LYS D C 1 +ATOM 7797 O O . LYS D 1 239 ? 36.635 -11.597 147.370 1.00 21.74 ? ? ? ? ? ? 238 LYS D O 1 +ATOM 7798 C CB . LYS D 1 239 ? 34.434 -13.481 145.845 1.00 25.74 ? ? ? ? ? ? 238 LYS D CB 1 +ATOM 7799 C CG . LYS D 1 239 ? 34.693 -14.414 144.667 1.00 29.28 ? ? ? ? ? ? 238 LYS D CG 1 +ATOM 7800 C CD . LYS D 1 239 ? 33.786 -14.042 143.468 1.00 32.03 ? ? ? ? ? ? 238 LYS D CD 1 +ATOM 7801 C CE . LYS D 1 239 ? 33.759 -15.107 142.377 1.00 43.35 ? ? ? ? ? ? 238 LYS D CE 1 +ATOM 7802 N NZ . LYS D 1 239 ? 35.077 -15.808 142.184 1.00 48.00 ? ? ? ? ? ? 238 LYS D NZ 1 +ATOM 7803 N N . LEU D 1 240 ? 34.703 -11.800 148.526 1.00 22.19 ? ? ? ? ? ? 239 LEU D N 1 +ATOM 7804 C CA . LEU D 1 240 ? 34.917 -10.542 149.252 1.00 21.36 ? ? ? ? ? ? 239 LEU D CA 1 +ATOM 7805 C C . LEU D 1 240 ? 36.115 -10.636 150.187 1.00 20.90 ? ? ? ? ? ? 239 LEU D C 1 +ATOM 7806 O O . LEU D 1 240 ? 36.880 -9.714 150.237 1.00 20.08 ? ? ? ? ? ? 239 LEU D O 1 +ATOM 7807 C CB . LEU D 1 240 ? 33.675 -10.117 150.048 1.00 21.03 ? ? ? ? ? ? 239 LEU D CB 1 +ATOM 7808 C CG . LEU D 1 240 ? 32.525 -9.616 149.198 1.00 18.56 ? ? ? ? ? ? 239 LEU D CG 1 +ATOM 7809 C CD1 . LEU D 1 240 ? 31.250 -9.537 150.038 1.00 17.95 ? ? ? ? ? ? 239 LEU D CD1 1 +ATOM 7810 C CD2 . LEU D 1 240 ? 32.956 -8.236 148.565 1.00 21.12 ? ? ? ? ? ? 239 LEU D CD2 1 +ATOM 7811 N N . ALA D 1 241 ? 36.258 -11.731 150.926 1.00 20.63 ? ? ? ? ? ? 240 ALA D N 1 +ATOM 7812 C CA . ALA D 1 241 ? 37.454 -11.940 151.765 1.00 20.33 ? ? ? ? ? ? 240 ALA D CA 1 +ATOM 7813 C C . ALA D 1 241 ? 38.744 -11.743 150.973 1.00 20.39 ? ? ? ? ? ? 240 ALA D C 1 +ATOM 7814 O O . ALA D 1 241 ? 39.681 -11.109 151.451 1.00 22.01 ? ? ? ? ? ? 240 ALA D O 1 +ATOM 7815 C CB . ALA D 1 241 ? 37.426 -13.342 152.427 1.00 17.88 ? ? ? ? ? ? 240 ALA D CB 1 +ATOM 7816 N N . GLY D 1 242 ? 38.786 -12.334 149.779 1.00 21.04 ? ? ? ? ? ? 241 GLY D N 1 +ATOM 7817 C CA . GLY D 1 242 ? 39.908 -12.207 148.846 1.00 21.14 ? ? ? ? ? ? 241 GLY D CA 1 +ATOM 7818 C C . GLY D 1 242 ? 40.196 -10.784 148.405 1.00 21.81 ? ? ? ? ? ? 241 GLY D C 1 +ATOM 7819 O O . GLY D 1 242 ? 41.355 -10.375 148.353 1.00 21.71 ? ? ? ? ? ? 241 GLY D O 1 +ATOM 7820 N N . LEU D 1 243 ? 39.144 -10.042 148.084 1.00 21.17 ? ? ? ? ? ? 242 LEU D N 1 +ATOM 7821 C CA . LEU D 1 243 ? 39.257 -8.617 147.758 1.00 21.20 ? ? ? ? ? ? 242 LEU D CA 1 +ATOM 7822 C C . LEU D 1 243 ? 39.797 -7.807 148.918 1.00 21.73 ? ? ? ? ? ? 242 LEU D C 1 +ATOM 7823 O O . LEU D 1 243 ? 40.631 -6.933 148.713 1.00 20.92 ? ? ? ? ? ? 242 LEU D O 1 +ATOM 7824 C CB . LEU D 1 243 ? 37.925 -8.043 147.323 1.00 18.42 ? ? ? ? ? ? 242 LEU D CB 1 +ATOM 7825 C CG . LEU D 1 243 ? 37.777 -6.525 147.191 1.00 22.68 ? ? ? ? ? ? 242 LEU D CG 1 +ATOM 7826 C CD1 . LEU D 1 243 ? 38.433 -5.986 145.932 1.00 21.50 ? ? ? ? ? ? 242 LEU D CD1 1 +ATOM 7827 C CD2 . LEU D 1 243 ? 36.307 -6.161 147.212 1.00 17.94 ? ? ? ? ? ? 242 LEU D CD2 1 +ATOM 7828 N N . PHE D 1 244 ? 39.325 -8.080 150.131 1.00 22.19 ? ? ? ? ? ? 243 PHE D N 1 +ATOM 7829 C CA . PHE D 1 244 ? 39.832 -7.357 151.310 1.00 23.35 ? ? ? ? ? ? 243 PHE D CA 1 +ATOM 7830 C C . PHE D 1 244 ? 41.342 -7.619 151.466 1.00 23.66 ? ? ? ? ? ? 243 PHE D C 1 +ATOM 7831 O O . PHE D 1 244 ? 42.101 -6.690 151.712 1.00 24.80 ? ? ? ? ? ? 243 PHE D O 1 +ATOM 7832 C CB . PHE D 1 244 ? 39.149 -7.780 152.625 1.00 22.47 ? ? ? ? ? ? 243 PHE D CB 1 +ATOM 7833 C CG . PHE D 1 244 ? 37.645 -7.584 152.692 1.00 22.71 ? ? ? ? ? ? 243 PHE D CG 1 +ATOM 7834 C CD1 . PHE D 1 244 ? 36.923 -6.950 151.701 1.00 24.19 ? ? ? ? ? ? 243 PHE D CD1 1 +ATOM 7835 C CD2 . PHE D 1 244 ? 36.957 -8.038 153.827 1.00 24.57 ? ? ? ? ? ? 243 PHE D CD2 1 +ATOM 7836 C CE1 . PHE D 1 244 ? 35.548 -6.790 151.806 1.00 22.31 ? ? ? ? ? ? 243 PHE D CE1 1 +ATOM 7837 C CE2 . PHE D 1 244 ? 35.562 -7.859 153.960 1.00 22.81 ? ? ? ? ? ? 243 PHE D CE2 1 +ATOM 7838 C CZ . PHE D 1 244 ? 34.857 -7.253 152.933 1.00 22.22 ? ? ? ? ? ? 243 PHE D CZ 1 +ATOM 7839 N N . GLU D 1 245 ? 41.756 -8.883 151.349 1.00 23.33 ? ? ? ? ? ? 244 GLU D N 1 +ATOM 7840 C CA . GLU D 1 245 ? 43.177 -9.264 151.451 1.00 24.30 ? ? ? ? ? ? 244 GLU D CA 1 +ATOM 7841 C C . GLU D 1 245 ? 44.018 -8.569 150.374 1.00 23.99 ? ? ? ? ? ? 244 GLU D C 1 +ATOM 7842 O O . GLU D 1 245 ? 45.043 -7.977 150.680 1.00 25.43 ? ? ? ? ? ? 244 GLU D O 1 +ATOM 7843 C CB . GLU D 1 245 ? 43.342 -10.777 151.370 1.00 23.39 ? ? ? ? ? ? 244 GLU D CB 1 +ATOM 7844 C CG . GLU D 1 245 ? 42.722 -11.514 152.551 1.00 25.95 ? ? ? ? ? ? 244 GLU D CG 1 +ATOM 7845 C CD . GLU D 1 245 ? 42.554 -13.040 152.362 1.00 25.87 ? ? ? ? ? ? 244 GLU D CD 1 +ATOM 7846 O OE1 . GLU D 1 245 ? 42.522 -13.520 151.234 1.00 26.81 ? ? ? ? ? ? 244 GLU D OE1 1 +ATOM 7847 O OE2 . GLU D 1 245 ? 42.452 -13.756 153.376 1.00 29.69 ? ? ? ? ? ? 244 GLU D OE2 1 +ATOM 7848 N N . GLU D 1 246 ? 43.562 -8.602 149.131 1.00 24.19 ? ? ? ? ? ? 245 GLU D N 1 +ATOM 7849 C CA . GLU D 1 246 ? 44.288 -7.985 148.024 1.00 25.08 ? ? ? ? ? ? 245 GLU D CA 1 +ATOM 7850 C C . GLU D 1 246 ? 44.350 -6.469 148.210 1.00 25.91 ? ? ? ? ? ? 245 GLU D C 1 +ATOM 7851 O O . GLU D 1 246 ? 45.374 -5.857 147.992 1.00 26.51 ? ? ? ? ? ? 245 GLU D O 1 +ATOM 7852 C CB . GLU D 1 246 ? 43.654 -8.369 146.692 1.00 23.17 ? ? ? ? ? ? 245 GLU D CB 1 +ATOM 7853 C CG . GLU D 1 246 ? 43.859 -9.847 146.334 1.00 25.62 ? ? ? ? ? ? 245 GLU D CG 1 +ATOM 7854 C CD . GLU D 1 246 ? 42.862 -10.416 145.293 1.00 26.30 ? ? ? ? ? ? 245 GLU D CD 1 +ATOM 7855 O OE1 . GLU D 1 246 ? 41.976 -9.684 144.799 1.00 24.65 ? ? ? ? ? ? 245 GLU D OE1 1 +ATOM 7856 O OE2 . GLU D 1 246 ? 42.993 -11.615 144.968 1.00 31.17 ? ? ? ? ? ? 245 GLU D OE2 1 +ATOM 7857 N N . MSE D 1 247 ? 43.249 -5.870 148.641 1.00 25.84 ? ? ? ? ? ? 246 MSE D N 1 +ATOM 7858 C CA . MSE D 1 247 ? 43.265 -4.445 148.990 1.00 26.06 ? ? ? ? ? ? 246 MSE D CA 1 +ATOM 7859 C C . MSE D 1 247 ? 44.293 -4.074 150.081 1.00 28.34 ? ? ? ? ? ? 246 MSE D C 1 +ATOM 7860 O O . MSE D 1 247 ? 44.910 -3.022 150.004 1.00 28.42 ? ? ? ? ? ? 246 MSE D O 1 +ATOM 7861 C CB . MSE D 1 247 ? 41.868 -3.977 149.389 1.00 25.80 ? ? ? ? ? ? 246 MSE D CB 1 +ATOM 7862 C CG . MSE D 1 247 ? 40.891 -3.935 148.237 1.00 23.22 ? ? ? ? ? ? 246 MSE D CG 1 +ATOM 7863 SE SE . MSE D 1 247 ? 39.127 -3.241 148.797 0.75 18.58 ? ? ? ? ? ? 246 MSE D SE 1 +ATOM 7864 C CE . MSE D 1 247 ? 39.586 -1.260 148.907 1.00 20.81 ? ? ? ? ? ? 246 MSE D CE 1 +ATOM 7865 N N . ALA D 1 248 ? 44.461 -4.946 151.077 1.00 29.69 ? ? ? ? ? ? 247 ALA D N 1 +ATOM 7866 C CA . ALA D 1 248 ? 45.407 -4.723 152.171 1.00 30.53 ? ? ? ? ? ? 247 ALA D CA 1 +ATOM 7867 C C . ALA D 1 248 ? 46.842 -4.947 151.749 1.00 30.54 ? ? ? ? ? ? 247 ALA D C 1 +ATOM 7868 O O . ALA D 1 248 ? 47.729 -4.309 152.264 1.00 31.25 ? ? ? ? ? ? 247 ALA D O 1 +ATOM 7869 C CB . ALA D 1 248 ? 45.086 -5.645 153.335 1.00 27.24 ? ? ? ? ? ? 247 ALA D CB 1 +ATOM 7870 N N . GLN D 1 249 ? 47.064 -5.874 150.827 1.00 30.49 ? ? ? ? ? ? 248 GLN D N 1 +ATOM 7871 C CA . GLN D 1 249 ? 48.404 -6.339 150.519 1.00 33.47 ? ? ? ? ? ? 248 GLN D CA 1 +ATOM 7872 C C . GLN D 1 249 ? 49.022 -5.774 149.229 1.00 33.51 ? ? ? ? ? ? 248 GLN D C 1 +ATOM 7873 O O . GLN D 1 249 ? 50.215 -5.904 149.036 1.00 34.19 ? ? ? ? ? ? 248 GLN D O 1 +ATOM 7874 C CB . GLN D 1 249 ? 48.410 -7.870 150.528 1.00 34.05 ? ? ? ? ? ? 248 GLN D CB 1 +ATOM 7875 C CG . GLN D 1 249 ? 48.060 -8.413 151.932 1.00 36.39 ? ? ? ? ? ? 248 GLN D CG 1 +ATOM 7876 C CD . GLN D 1 249 ? 48.018 -9.910 152.011 1.00 36.69 ? ? ? ? ? ? 248 GLN D CD 1 +ATOM 7877 O OE1 . GLN D 1 249 ? 47.680 -10.589 151.042 1.00 43.44 ? ? ? ? ? ? 248 GLN D OE1 1 +ATOM 7878 N NE2 . GLN D 1 249 ? 48.349 -10.442 153.189 1.00 39.69 ? ? ? ? ? ? 248 GLN D NE2 1 +ATOM 7879 N N . HIS D 1 250 ? 48.221 -5.133 148.377 1.00 33.08 ? ? ? ? ? ? 249 HIS D N 1 +ATOM 7880 C CA . HIS D 1 250 ? 48.718 -4.575 147.103 1.00 32.93 ? ? ? ? ? ? 249 HIS D CA 1 +ATOM 7881 C C . HIS D 1 250 ? 48.362 -3.109 146.969 1.00 32.22 ? ? ? ? ? ? 249 HIS D C 1 +ATOM 7882 O O . HIS D 1 250 ? 47.312 -2.679 147.415 1.00 32.66 ? ? ? ? ? ? 249 HIS D O 1 +ATOM 7883 C CB . HIS D 1 250 ? 48.124 -5.327 145.888 1.00 32.67 ? ? ? ? ? ? 249 HIS D CB 1 +ATOM 7884 C CG . HIS D 1 250 ? 48.525 -6.765 145.803 1.00 33.27 ? ? ? ? ? ? 249 HIS D CG 1 +ATOM 7885 N ND1 . HIS D 1 250 ? 49.634 -7.187 145.104 1.00 36.82 ? ? ? ? ? ? 249 HIS D ND1 1 +ATOM 7886 C CD2 . HIS D 1 250 ? 47.962 -7.881 146.324 1.00 35.20 ? ? ? ? ? ? 249 HIS D CD2 1 +ATOM 7887 C CE1 . HIS D 1 250 ? 49.744 -8.500 145.209 1.00 40.62 ? ? ? ? ? ? 249 HIS D CE1 1 +ATOM 7888 N NE2 . HIS D 1 250 ? 48.746 -8.943 145.949 1.00 36.39 ? ? ? ? ? ? 249 HIS D NE2 1 +ATOM 7889 N N . ASP D 1 251 ? 49.239 -2.352 146.326 1.00 31.73 ? ? ? ? ? ? 250 ASP D N 1 +ATOM 7890 C CA . ASP D 1 251 ? 48.847 -1.070 145.788 1.00 31.50 ? ? ? ? ? ? 250 ASP D CA 1 +ATOM 7891 C C . ASP D 1 251 ? 47.890 -1.355 144.629 1.00 28.23 ? ? ? ? ? ? 250 ASP D C 1 +ATOM 7892 O O . ASP D 1 251 ? 47.888 -2.445 144.090 1.00 27.46 ? ? ? ? ? ? 250 ASP D O 1 +ATOM 7893 C CB . ASP D 1 251 ? 50.071 -0.248 145.306 1.00 32.23 ? ? ? ? ? ? 250 ASP D CB 1 +ATOM 7894 C CG . ASP D 1 251 ? 51.004 0.191 146.456 1.00 39.36 ? ? ? ? ? ? 250 ASP D CG 1 +ATOM 7895 O OD1 . ASP D 1 251 ? 50.541 0.368 147.590 1.00 41.85 ? ? ? ? ? ? 250 ASP D OD1 1 +ATOM 7896 O OD2 . ASP D 1 251 ? 52.218 0.374 146.213 1.00 49.42 ? ? ? ? ? ? 250 ASP D OD2 1 +ATOM 7897 N N . LEU D 1 252 ? 47.086 -0.364 144.256 1.00 26.34 ? ? ? ? ? ? 251 LEU D N 1 +ATOM 7898 C CA . LEU D 1 252 ? 46.139 -0.483 143.164 1.00 25.84 ? ? ? ? ? ? 251 LEU D CA 1 +ATOM 7899 C C . LEU D 1 252 ? 46.817 -0.854 141.832 1.00 25.78 ? ? ? ? ? ? 251 LEU D C 1 +ATOM 7900 O O . LEU D 1 252 ? 46.277 -1.617 141.041 1.00 24.00 ? ? ? ? ? ? 251 LEU D O 1 +ATOM 7901 C CB . LEU D 1 252 ? 45.374 0.844 143.004 1.00 25.07 ? ? ? ? ? ? 251 LEU D CB 1 +ATOM 7902 C CG . LEU D 1 252 ? 44.225 0.868 141.985 1.00 26.64 ? ? ? ? ? ? 251 LEU D CG 1 +ATOM 7903 C CD1 . LEU D 1 252 ? 43.195 -0.246 142.310 1.00 17.84 ? ? ? ? ? ? 251 LEU D CD1 1 +ATOM 7904 C CD2 . LEU D 1 252 ? 43.599 2.266 141.970 1.00 21.52 ? ? ? ? ? ? 251 LEU D CD2 1 +ATOM 7905 N N . TYR D 1 253 ? 47.977 -0.259 141.579 1.00 26.80 ? ? ? ? ? ? 252 TYR D N 1 +ATOM 7906 C CA . TYR D 1 253 ? 48.804 -0.587 140.434 1.00 28.19 ? ? ? ? ? ? 252 TYR D CA 1 +ATOM 7907 C C . TYR D 1 253 ? 50.221 -0.859 140.939 1.00 31.56 ? ? ? ? ? ? 252 TYR D C 1 +ATOM 7908 O O . TYR D 1 253 ? 50.729 -0.158 141.822 1.00 31.17 ? ? ? ? ? ? 252 TYR D O 1 +ATOM 7909 C CB . TYR D 1 253 ? 48.808 0.562 139.426 1.00 26.76 ? ? ? ? ? ? 252 TYR D CB 1 +ATOM 7910 C CG . TYR D 1 253 ? 47.490 0.803 138.706 1.00 21.07 ? ? ? ? ? ? 252 TYR D CG 1 +ATOM 7911 C CD1 . TYR D 1 253 ? 47.207 0.167 137.510 1.00 20.27 ? ? ? ? ? ? 252 TYR D CD1 1 +ATOM 7912 C CD2 . TYR D 1 253 ? 46.557 1.722 139.201 1.00 21.99 ? ? ? ? ? ? 252 TYR D CD2 1 +ATOM 7913 C CE1 . TYR D 1 253 ? 46.024 0.396 136.831 1.00 21.94 ? ? ? ? ? ? 252 TYR D CE1 1 +ATOM 7914 C CE2 . TYR D 1 253 ? 45.352 1.951 138.542 1.00 17.48 ? ? ? ? ? ? 252 TYR D CE2 1 +ATOM 7915 C CZ . TYR D 1 253 ? 45.095 1.295 137.356 1.00 22.94 ? ? ? ? ? ? 252 TYR D CZ 1 +ATOM 7916 O OH . TYR D 1 253 ? 43.925 1.550 136.690 1.00 21.37 ? ? ? ? ? ? 252 TYR D OH 1 +ATOM 7917 N N . GLU D 1 254 ? 50.845 -1.891 140.391 1.00 36.33 ? ? ? ? ? ? 253 GLU D N 1 +ATOM 7918 C CA A GLU D 1 254 ? 52.168 -2.324 140.832 0.50 36.38 ? ? ? ? ? ? 253 GLU D CA 1 +ATOM 7919 C CA B GLU D 1 254 ? 52.177 -2.295 140.822 0.50 38.29 ? ? ? ? ? ? 253 GLU D CA 1 +ATOM 7920 C C . GLU D 1 254 ? 53.094 -2.535 139.612 1.00 43.66 ? ? ? ? ? ? 253 GLU D C 1 +ATOM 7921 O O . GLU D 1 254 ? 52.647 -2.473 138.470 1.00 45.72 ? ? ? ? ? ? 253 GLU D O 1 +ATOM 7922 C CB A GLU D 1 254 ? 52.047 -3.560 141.764 0.50 34.70 ? ? ? ? ? ? 253 GLU D CB 1 +ATOM 7923 C CB B GLU D 1 254 ? 52.090 -3.504 141.777 0.50 37.21 ? ? ? ? ? ? 253 GLU D CB 1 +ATOM 7924 C CG A GLU D 1 254 ? 51.374 -3.220 143.111 0.50 25.32 ? ? ? ? ? ? 253 GLU D CG 1 +ATOM 7925 C CG B GLU D 1 254 ? 51.779 -4.851 141.136 0.50 37.10 ? ? ? ? ? ? 253 GLU D CG 1 +ATOM 7926 C CD A GLU D 1 254 ? 51.491 -4.287 144.199 0.50 29.14 ? ? ? ? ? ? 253 GLU D CD 1 +ATOM 7927 C CD B GLU D 1 254 ? 51.727 -5.975 142.158 0.50 32.93 ? ? ? ? ? ? 253 GLU D CD 1 +ATOM 7928 O OE1 A GLU D 1 254 ? 51.353 -5.487 143.897 0.50 9.60 ? ? ? ? ? ? 253 GLU D OE1 1 +ATOM 7929 O OE1 B GLU D 1 254 ? 51.490 -5.690 143.346 0.50 26.04 ? ? ? ? ? ? 253 GLU D OE1 1 +ATOM 7930 O OE2 A GLU D 1 254 ? 51.698 -3.919 145.382 0.50 12.39 ? ? ? ? ? ? 253 GLU D OE2 1 +ATOM 7931 O OE2 B GLU D 1 254 ? 51.925 -7.142 141.776 0.50 21.90 ? ? ? ? ? ? 253 GLU D OE2 1 +ATOM 7932 O OXT A GLU D 1 254 ? 54.306 -2.725 139.716 0.50 42.11 ? ? ? ? ? ? 253 GLU D OXT 1 +ATOM 7933 O OXT B GLU D 1 254 ? 54.302 -2.749 139.718 0.50 42.52 ? ? ? ? ? ? 253 GLU D OXT 1 +ATOM 7934 N N . MSE E 1 2 ? 22.589 19.884 107.080 1.00 39.27 ? ? ? ? ? ? 1 MSE E N 1 +ATOM 7935 C CA . MSE E 1 2 ? 22.056 20.862 108.074 1.00 40.03 ? ? ? ? ? ? 1 MSE E CA 1 +ATOM 7936 C C . MSE E 1 2 ? 20.544 20.704 108.187 1.00 37.40 ? ? ? ? ? ? 1 MSE E C 1 +ATOM 7937 O O . MSE E 1 2 ? 19.844 20.813 107.183 1.00 37.98 ? ? ? ? ? ? 1 MSE E O 1 +ATOM 7938 C CB . MSE E 1 2 ? 22.407 22.284 107.659 1.00 39.27 ? ? ? ? ? ? 1 MSE E CB 1 +ATOM 7939 C CG . MSE E 1 2 ? 21.789 23.366 108.516 1.00 42.75 ? ? ? ? ? ? 1 MSE E CG 1 +ATOM 7940 SE SE . MSE E 1 2 ? 22.440 25.164 108.067 0.75 48.07 ? ? ? ? ? ? 1 MSE E SE 1 +ATOM 7941 C CE . MSE E 1 2 ? 24.360 24.713 108.286 1.00 41.09 ? ? ? ? ? ? 1 MSE E CE 1 +ATOM 7942 N N . ASN E 1 3 ? 20.048 20.462 109.397 1.00 33.35 ? ? ? ? ? ? 2 ASN E N 1 +ATOM 7943 C CA . ASN E 1 3 ? 18.608 20.304 109.633 1.00 31.12 ? ? ? ? ? ? 2 ASN E CA 1 +ATOM 7944 C C . ASN E 1 3 ? 18.059 21.203 110.757 1.00 29.61 ? ? ? ? ? ? 2 ASN E C 1 +ATOM 7945 O O . ASN E 1 3 ? 18.122 20.831 111.936 1.00 27.82 ? ? ? ? ? ? 2 ASN E O 1 +ATOM 7946 C CB . ASN E 1 3 ? 18.283 18.836 109.923 1.00 29.43 ? ? ? ? ? ? 2 ASN E CB 1 +ATOM 7947 C CG . ASN E 1 3 ? 16.806 18.536 109.783 1.00 29.77 ? ? ? ? ? ? 2 ASN E CG 1 +ATOM 7948 O OD1 . ASN E 1 3 ? 15.969 19.429 109.934 1.00 34.24 ? ? ? ? ? ? 2 ASN E OD1 1 +ATOM 7949 N ND2 . ASN E 1 3 ? 16.475 17.298 109.451 1.00 23.42 ? ? ? ? ? ? 2 ASN E ND2 1 +ATOM 7950 N N . LYS E 1 4 ? 17.488 22.350 110.394 1.00 28.51 ? ? ? ? ? ? 3 LYS E N 1 +ATOM 7951 C CA . LYS E 1 4 ? 16.997 23.317 111.397 1.00 29.87 ? ? ? ? ? ? 3 LYS E CA 1 +ATOM 7952 C C . LYS E 1 4 ? 15.768 22.846 112.169 1.00 28.73 ? ? ? ? ? ? 3 LYS E C 1 +ATOM 7953 O O . LYS E 1 4 ? 15.483 23.365 113.266 1.00 28.06 ? ? ? ? ? ? 3 LYS E O 1 +ATOM 7954 C CB . LYS E 1 4 ? 16.702 24.669 110.756 1.00 30.69 ? ? ? ? ? ? 3 LYS E CB 1 +ATOM 7955 C CG . LYS E 1 4 ? 17.947 25.419 110.208 1.00 33.42 ? ? ? ? ? ? 3 LYS E CG 1 +ATOM 7956 C CD . LYS E 1 4 ? 17.577 26.854 109.780 1.00 31.85 ? ? ? ? ? ? 3 LYS E CD 1 +ATOM 7957 C CE . LYS E 1 4 ? 18.801 27.654 109.262 1.00 37.58 ? ? ? ? ? ? 3 LYS E CE 1 +ATOM 7958 N NZ . LYS E 1 4 ? 18.428 29.082 108.903 1.00 33.13 ? ? ? ? ? ? 3 LYS E NZ 1 +ATOM 7959 N N . GLU E 1 5 ? 15.055 21.857 111.624 1.00 27.29 ? ? ? ? ? ? 4 GLU E N 1 +ATOM 7960 C CA . GLU E 1 5 ? 13.871 21.349 112.281 1.00 27.60 ? ? ? ? ? ? 4 GLU E CA 1 +ATOM 7961 C C . GLU E 1 5 ? 14.189 20.559 113.568 1.00 23.56 ? ? ? ? ? ? 4 GLU E C 1 +ATOM 7962 O O . GLU E 1 5 ? 13.424 20.641 114.527 1.00 24.55 ? ? ? ? ? ? 4 GLU E O 1 +ATOM 7963 C CB . GLU E 1 5 ? 13.064 20.481 111.320 1.00 27.20 ? ? ? ? ? ? 4 GLU E CB 1 +ATOM 7964 C CG . GLU E 1 5 ? 11.640 20.161 111.798 1.00 31.00 ? ? ? ? ? ? 4 GLU E CG 1 +ATOM 7965 C CD . GLU E 1 5 ? 10.777 19.493 110.711 1.00 33.24 ? ? ? ? ? ? 4 GLU E CD 1 +ATOM 7966 O OE1 . GLU E 1 5 ? 11.303 19.162 109.614 1.00 42.62 ? ? ? ? ? ? 4 GLU E OE1 1 +ATOM 7967 O OE2 . GLU E 1 5 ? 9.569 19.301 110.946 1.00 32.45 ? ? ? ? ? ? 4 GLU E OE2 1 +ATOM 7968 N N . VAL E 1 6 ? 15.296 19.820 113.591 1.00 21.45 ? ? ? ? ? ? 5 VAL E N 1 +ATOM 7969 C CA . VAL E 1 6 ? 15.605 18.900 114.700 1.00 20.73 ? ? ? ? ? ? 5 VAL E CA 1 +ATOM 7970 C C . VAL E 1 6 ? 16.955 19.094 115.382 1.00 20.54 ? ? ? ? ? ? 5 VAL E C 1 +ATOM 7971 O O . VAL E 1 6 ? 17.280 18.388 116.342 1.00 20.30 ? ? ? ? ? ? 5 VAL E O 1 +ATOM 7972 C CB . VAL E 1 6 ? 15.477 17.375 114.280 1.00 19.82 ? ? ? ? ? ? 5 VAL E CB 1 +ATOM 7973 C CG1 . VAL E 1 6 ? 14.063 17.065 113.802 1.00 16.82 ? ? ? ? ? ? 5 VAL E CG1 1 +ATOM 7974 C CG2 . VAL E 1 6 ? 16.561 16.944 113.264 1.00 16.65 ? ? ? ? ? ? 5 VAL E CG2 1 +ATOM 7975 N N . ASP E 1 7 ? 17.746 20.031 114.899 1.00 19.62 ? ? ? ? ? ? 6 ASP E N 1 +ATOM 7976 C CA . ASP E 1 7 ? 19.082 20.242 115.391 1.00 19.55 ? ? ? ? ? ? 6 ASP E CA 1 +ATOM 7977 C C . ASP E 1 7 ? 19.212 21.691 115.858 1.00 20.14 ? ? ? ? ? ? 6 ASP E C 1 +ATOM 7978 O O . ASP E 1 7 ? 19.380 22.601 115.031 1.00 20.17 ? ? ? ? ? ? 6 ASP E O 1 +ATOM 7979 C CB . ASP E 1 7 ? 20.077 19.947 114.274 1.00 19.18 ? ? ? ? ? ? 6 ASP E CB 1 +ATOM 7980 C CG . ASP E 1 7 ? 21.520 20.100 114.703 1.00 19.37 ? ? ? ? ? ? 6 ASP E CG 1 +ATOM 7981 O OD1 . ASP E 1 7 ? 21.779 20.449 115.862 1.00 24.10 ? ? ? ? ? ? 6 ASP E OD1 1 +ATOM 7982 O OD2 . ASP E 1 7 ? 22.410 19.819 113.876 1.00 25.25 ? ? ? ? ? ? 6 ASP E OD2 1 +ATOM 7983 N N . LEU E 1 8 ? 19.152 21.909 117.177 1.00 19.12 ? ? ? ? ? ? 7 LEU E N 1 +ATOM 7984 C CA . LEU E 1 8 ? 19.190 23.282 117.720 1.00 19.78 ? ? ? ? ? ? 7 LEU E CA 1 +ATOM 7985 C C . LEU E 1 8 ? 20.507 24.005 117.431 1.00 20.71 ? ? ? ? ? ? 7 LEU E C 1 +ATOM 7986 O O . LEU E 1 8 ? 20.556 25.232 117.365 1.00 21.87 ? ? ? ? ? ? 7 LEU E O 1 +ATOM 7987 C CB . LEU E 1 8 ? 18.895 23.331 119.225 1.00 16.50 ? ? ? ? ? ? 7 LEU E CB 1 +ATOM 7988 C CG . LEU E 1 8 ? 18.312 24.683 119.648 1.00 16.32 ? ? ? ? ? ? 7 LEU E CG 1 +ATOM 7989 C CD1 . LEU E 1 8 ? 16.828 24.743 119.265 1.00 13.28 ? ? ? ? ? ? 7 LEU E CD1 1 +ATOM 7990 C CD2 . LEU E 1 8 ? 18.511 24.970 121.132 1.00 15.21 ? ? ? ? ? ? 7 LEU E CD2 1 +ATOM 7991 N N . SER E 1 9 ? 21.560 23.240 117.237 1.00 21.15 ? ? ? ? ? ? 8 SER E N 1 +ATOM 7992 C CA . SER E 1 9 ? 22.867 23.802 116.997 1.00 21.99 ? ? ? ? ? ? 8 SER E CA 1 +ATOM 7993 C C . SER E 1 9 ? 22.936 24.670 115.734 1.00 22.56 ? ? ? ? ? ? 8 SER E C 1 +ATOM 7994 O O . SER E 1 9 ? 23.788 25.527 115.622 1.00 23.00 ? ? ? ? ? ? 8 SER E O 1 +ATOM 7995 C CB . SER E 1 9 ? 23.887 22.671 116.953 1.00 21.59 ? ? ? ? ? ? 8 SER E CB 1 +ATOM 7996 O OG . SER E 1 9 ? 23.894 22.047 118.232 1.00 22.65 ? ? ? ? ? ? 8 SER E OG 1 +ATOM 7997 N N . VAL E 1 10 ? 22.034 24.426 114.795 1.00 22.53 ? ? ? ? ? ? 9 VAL E N 1 +ATOM 7998 C CA . VAL E 1 10 ? 21.930 25.253 113.581 1.00 22.97 ? ? ? ? ? ? 9 VAL E CA 1 +ATOM 7999 C C . VAL E 1 10 ? 20.560 25.956 113.429 1.00 23.76 ? ? ? ? ? ? 9 VAL E C 1 +ATOM 8000 O O . VAL E 1 10 ? 20.364 26.737 112.511 1.00 27.28 ? ? ? ? ? ? 9 VAL E O 1 +ATOM 8001 C CB . VAL E 1 10 ? 22.251 24.382 112.325 1.00 22.05 ? ? ? ? ? ? 9 VAL E CB 1 +ATOM 8002 C CG1 . VAL E 1 10 ? 23.724 23.942 112.353 1.00 19.78 ? ? ? ? ? ? 9 VAL E CG1 1 +ATOM 8003 C CG2 . VAL E 1 10 ? 21.341 23.214 112.257 1.00 19.89 ? ? ? ? ? ? 9 VAL E CG2 1 +ATOM 8004 N N . SER E 1 11 ? 19.634 25.719 114.346 1.00 22.32 ? ? ? ? ? ? 10 SER E N 1 +ATOM 8005 C CA . SER E 1 11 ? 18.280 26.226 114.190 1.00 22.11 ? ? ? ? ? ? 10 SER E CA 1 +ATOM 8006 C C . SER E 1 11 ? 18.105 27.681 114.678 1.00 22.83 ? ? ? ? ? ? 10 SER E C 1 +ATOM 8007 O O . SER E 1 11 ? 18.992 28.262 115.297 1.00 22.10 ? ? ? ? ? ? 10 SER E O 1 +ATOM 8008 C CB . SER E 1 11 ? 17.276 25.303 114.900 1.00 21.35 ? ? ? ? ? ? 10 SER E CB 1 +ATOM 8009 O OG . SER E 1 11 ? 15.956 25.517 114.400 1.00 27.40 ? ? ? ? ? ? 10 SER E OG 1 +ATOM 8010 N N . CYS E 1 12 ? 16.931 28.233 114.375 1.00 22.53 ? ? ? ? ? ? 11 CYS E N 1 +ATOM 8011 C CA . CYS E 1 12 ? 16.548 29.568 114.786 1.00 23.07 ? ? ? ? ? ? 11 CYS E CA 1 +ATOM 8012 C C . CYS E 1 12 ? 15.054 29.560 115.106 1.00 22.95 ? ? ? ? ? ? 11 CYS E C 1 +ATOM 8013 O O . CYS E 1 12 ? 14.335 28.622 114.755 1.00 23.72 ? ? ? ? ? ? 11 CYS E O 1 +ATOM 8014 C CB . CYS E 1 12 ? 16.872 30.563 113.682 1.00 20.40 ? ? ? ? ? ? 11 CYS E CB 1 +ATOM 8015 S SG . CYS E 1 12 ? 15.975 30.171 112.167 1.00 25.98 ? ? ? ? ? ? 11 CYS E SG 1 +ATOM 8016 N N . LEU E 1 13 ? 14.605 30.574 115.824 1.00 23.36 ? ? ? ? ? ? 12 LEU E N 1 +ATOM 8017 C CA . LEU E 1 13 ? 13.229 30.616 116.339 1.00 23.60 ? ? ? ? ? ? 12 LEU E CA 1 +ATOM 8018 C C . LEU E 1 13 ? 12.195 30.621 115.226 1.00 25.54 ? ? ? ? ? ? 12 LEU E C 1 +ATOM 8019 O O . LEU E 1 13 ? 11.096 30.047 115.372 1.00 26.15 ? ? ? ? ? ? 12 LEU E O 1 +ATOM 8020 C CB . LEU E 1 13 ? 13.023 31.849 117.228 1.00 24.32 ? ? ? ? ? ? 12 LEU E CB 1 +ATOM 8021 C CG . LEU E 1 13 ? 11.640 32.045 117.844 1.00 22.16 ? ? ? ? ? ? 12 LEU E CG 1 +ATOM 8022 C CD1 . LEU E 1 13 ? 11.371 30.865 118.746 1.00 21.03 ? ? ? ? ? ? 12 LEU E CD1 1 +ATOM 8023 C CD2 . LEU E 1 13 ? 11.565 33.348 118.601 1.00 20.96 ? ? ? ? ? ? 12 LEU E CD2 1 +ATOM 8024 N N . GLY E 1 14 ? 12.515 31.295 114.127 1.00 26.37 ? ? ? ? ? ? 13 GLY E N 1 +ATOM 8025 C CA . GLY E 1 14 ? 11.627 31.323 112.977 1.00 26.86 ? ? ? ? ? ? 13 GLY E CA 1 +ATOM 8026 C C . GLY E 1 14 ? 11.204 29.951 112.493 1.00 28.19 ? ? ? ? ? ? 13 GLY E C 1 +ATOM 8027 O O . GLY E 1 14 ? 10.071 29.757 112.052 1.00 28.35 ? ? ? ? ? ? 13 GLY E O 1 +ATOM 8028 N N . LYS E 1 15 ? 12.124 29.001 112.561 1.00 28.63 ? ? ? ? ? ? 14 LYS E N 1 +ATOM 8029 C CA . LYS E 1 15 ? 11.903 27.675 112.035 1.00 30.04 ? ? ? ? ? ? 14 LYS E CA 1 +ATOM 8030 C C . LYS E 1 15 ? 11.134 26.797 113.022 1.00 30.95 ? ? ? ? ? ? 14 LYS E C 1 +ATOM 8031 O O . LYS E 1 15 ? 10.334 25.952 112.596 1.00 35.13 ? ? ? ? ? ? 14 LYS E O 1 +ATOM 8032 C CB . LYS E 1 15 ? 13.232 27.061 111.641 1.00 29.15 ? ? ? ? ? ? 14 LYS E CB 1 +ATOM 8033 C CG . LYS E 1 15 ? 13.190 25.582 111.283 1.00 39.68 ? ? ? ? ? ? 14 LYS E CG 1 +ATOM 8034 C CD . LYS E 1 15 ? 12.252 25.269 110.113 1.00 48.56 ? ? ? ? ? ? 14 LYS E CD 1 +ATOM 8035 C CE . LYS E 1 15 ? 12.530 23.906 109.545 1.00 45.91 ? ? ? ? ? ? 14 LYS E CE 1 +ATOM 8036 N NZ . LYS E 1 15 ? 11.446 23.476 108.640 1.00 57.25 ? ? ? ? ? ? 14 LYS E NZ 1 +ATOM 8037 N N . VAL E 1 16 ? 11.316 27.022 114.325 1.00 29.29 ? ? ? ? ? ? 15 VAL E N 1 +ATOM 8038 C CA . VAL E 1 16 ? 10.710 26.170 115.343 1.00 28.17 ? ? ? ? ? ? 15 VAL E CA 1 +ATOM 8039 C C . VAL E 1 16 ? 9.394 26.677 115.945 1.00 29.41 ? ? ? ? ? ? 15 VAL E C 1 +ATOM 8040 O O . VAL E 1 16 ? 8.629 25.885 116.501 1.00 27.49 ? ? ? ? ? ? 15 VAL E O 1 +ATOM 8041 C CB . VAL E 1 16 ? 11.673 25.882 116.541 1.00 28.13 ? ? ? ? ? ? 15 VAL E CB 1 +ATOM 8042 C CG1 . VAL E 1 16 ? 13.041 25.424 116.078 1.00 26.81 ? ? ? ? ? ? 15 VAL E CG1 1 +ATOM 8043 C CG2 . VAL E 1 16 ? 11.777 27.050 117.448 1.00 25.83 ? ? ? ? ? ? 15 VAL E CG2 1 +ATOM 8044 N N . LYS E 1 17 ? 9.128 27.974 115.876 1.00 30.59 ? ? ? ? ? ? 16 LYS E N 1 +ATOM 8045 C CA . LYS E 1 17 ? 8.091 28.543 116.721 1.00 34.67 ? ? ? ? ? ? 16 LYS E CA 1 +ATOM 8046 C C . LYS E 1 17 ? 6.671 28.020 116.443 1.00 35.02 ? ? ? ? ? ? 16 LYS E C 1 +ATOM 8047 O O . LYS E 1 17 ? 5.849 27.981 117.361 1.00 35.40 ? ? ? ? ? ? 16 LYS E O 1 +ATOM 8048 C CB . LYS E 1 17 ? 8.100 30.077 116.681 1.00 34.19 ? ? ? ? ? ? 16 LYS E CB 1 +ATOM 8049 C CG . LYS E 1 17 ? 7.737 30.699 115.374 1.00 33.27 ? ? ? ? ? ? 16 LYS E CG 1 +ATOM 8050 C CD . LYS E 1 17 ? 7.478 32.196 115.549 1.00 39.87 ? ? ? ? ? ? 16 LYS E CD 1 +ATOM 8051 C CE . LYS E 1 17 ? 6.891 32.807 114.272 1.00 50.84 ? ? ? ? ? ? 16 LYS E CE 1 +ATOM 8052 N NZ . LYS E 1 17 ? 5.750 33.734 114.552 1.00 55.27 ? ? ? ? ? ? 16 LYS E NZ 1 +ATOM 8053 N N . GLU E 1 18 ? 6.389 27.635 115.207 1.00 36.00 ? ? ? ? ? ? 17 GLU E N 1 +ATOM 8054 C CA . GLU E 1 18 ? 5.054 27.151 114.851 1.00 39.76 ? ? ? ? ? ? 17 GLU E CA 1 +ATOM 8055 C C . GLU E 1 18 ? 4.956 25.616 114.775 1.00 38.45 ? ? ? ? ? ? 17 GLU E C 1 +ATOM 8056 O O . GLU E 1 18 ? 3.900 25.093 114.435 1.00 39.50 ? ? ? ? ? ? 17 GLU E O 1 +ATOM 8057 C CB . GLU E 1 18 ? 4.570 27.783 113.524 1.00 42.14 ? ? ? ? ? ? 17 GLU E CB 1 +ATOM 8058 C CG . GLU E 1 18 ? 4.608 29.347 113.462 1.00 48.15 ? ? ? ? ? ? 17 GLU E CG 1 +ATOM 8059 C CD . GLU E 1 18 ? 3.542 30.042 114.335 1.00 56.30 ? ? ? ? ? ? 17 GLU E CD 1 +ATOM 8060 O OE1 . GLU E 1 18 ? 2.628 30.649 113.739 1.00 63.14 ? ? ? ? ? ? 17 GLU E OE1 1 +ATOM 8061 O OE2 . GLU E 1 18 ? 3.605 30.008 115.596 1.00 59.66 ? ? ? ? ? ? 17 GLU E OE2 1 +ATOM 8062 N N . LEU E 1 19 ? 6.020 24.899 115.134 1.00 35.44 ? ? ? ? ? ? 18 LEU E N 1 +ATOM 8063 C CA . LEU E 1 19 ? 6.038 23.435 115.061 1.00 32.89 ? ? ? ? ? ? 18 LEU E CA 1 +ATOM 8064 C C . LEU E 1 19 ? 5.817 22.838 116.441 1.00 31.65 ? ? ? ? ? ? 18 LEU E C 1 +ATOM 8065 O O . LEU E 1 19 ? 6.195 23.427 117.455 1.00 32.06 ? ? ? ? ? ? 18 LEU E O 1 +ATOM 8066 C CB . LEU E 1 19 ? 7.352 22.910 114.470 1.00 31.09 ? ? ? ? ? ? 18 LEU E CB 1 +ATOM 8067 C CG . LEU E 1 19 ? 7.822 23.397 113.091 1.00 31.73 ? ? ? ? ? ? 18 LEU E CG 1 +ATOM 8068 C CD1 . LEU E 1 19 ? 9.066 22.605 112.679 1.00 25.17 ? ? ? ? ? ? 18 LEU E CD1 1 +ATOM 8069 C CD2 . LEU E 1 19 ? 6.744 23.323 111.970 1.00 29.10 ? ? ? ? ? ? 18 LEU E CD2 1 +ATOM 8070 N N . LYS E 1 20 ? 5.150 21.690 116.469 1.00 30.35 ? ? ? ? ? ? 19 LYS E N 1 +ATOM 8071 C CA . LYS E 1 20 ? 4.969 20.940 117.701 1.00 29.75 ? ? ? ? ? ? 19 LYS E CA 1 +ATOM 8072 C C . LYS E 1 20 ? 6.122 19.950 117.883 1.00 26.68 ? ? ? ? ? ? 19 LYS E C 1 +ATOM 8073 O O . LYS E 1 20 ? 6.481 19.236 116.970 1.00 23.93 ? ? ? ? ? ? 19 LYS E O 1 +ATOM 8074 C CB . LYS E 1 20 ? 3.648 20.182 117.691 1.00 30.39 ? ? ? ? ? ? 19 LYS E CB 1 +ATOM 8075 C CG . LYS E 1 20 ? 3.313 19.579 119.052 1.00 37.98 ? ? ? ? ? ? 19 LYS E CG 1 +ATOM 8076 C CD . LYS E 1 20 ? 2.889 18.133 118.945 1.00 48.19 ? ? ? ? ? ? 19 LYS E CD 1 +ATOM 8077 C CE . LYS E 1 20 ? 1.518 17.991 118.295 1.00 54.50 ? ? ? ? ? ? 19 LYS E CE 1 +ATOM 8078 N NZ . LYS E 1 20 ? 1.303 16.640 117.670 1.00 56.16 ? ? ? ? ? ? 19 LYS E NZ 1 +ATOM 8079 N N . TYR E 1 21 ? 6.697 19.935 119.075 1.00 25.09 ? ? ? ? ? ? 20 TYR E N 1 +ATOM 8080 C CA . TYR E 1 21 ? 7.788 19.037 119.408 1.00 24.18 ? ? ? ? ? ? 20 TYR E CA 1 +ATOM 8081 C C . TYR E 1 21 ? 7.308 18.099 120.502 1.00 23.99 ? ? ? ? ? ? 20 TYR E C 1 +ATOM 8082 O O . TYR E 1 21 ? 6.718 18.540 121.474 1.00 25.75 ? ? ? ? ? ? 20 TYR E O 1 +ATOM 8083 C CB . TYR E 1 21 ? 9.016 19.846 119.828 1.00 20.97 ? ? ? ? ? ? 20 TYR E CB 1 +ATOM 8084 C CG . TYR E 1 21 ? 9.692 20.561 118.659 1.00 20.93 ? ? ? ? ? ? 20 TYR E CG 1 +ATOM 8085 C CD1 . TYR E 1 21 ? 9.276 21.819 118.233 1.00 21.19 ? ? ? ? ? ? 20 TYR E CD1 1 +ATOM 8086 C CD2 . TYR E 1 21 ? 10.731 19.963 117.978 1.00 17.66 ? ? ? ? ? ? 20 TYR E CD2 1 +ATOM 8087 C CE1 . TYR E 1 21 ? 9.885 22.447 117.147 1.00 21.71 ? ? ? ? ? ? 20 TYR E CE1 1 +ATOM 8088 C CE2 . TYR E 1 21 ? 11.320 20.554 116.916 1.00 19.72 ? ? ? ? ? ? 20 TYR E CE2 1 +ATOM 8089 C CZ . TYR E 1 21 ? 10.912 21.801 116.493 1.00 19.42 ? ? ? ? ? ? 20 TYR E CZ 1 +ATOM 8090 O OH . TYR E 1 21 ? 11.569 22.373 115.418 1.00 22.93 ? ? ? ? ? ? 20 TYR E OH 1 +ATOM 8091 N N . ASP E 1 22 ? 7.533 16.806 120.320 1.00 24.41 ? ? ? ? ? ? 21 ASP E N 1 +ATOM 8092 C CA . ASP E 1 22 ? 7.044 15.805 121.248 1.00 25.97 ? ? ? ? ? ? 21 ASP E CA 1 +ATOM 8093 C C . ASP E 1 22 ? 8.095 15.402 122.307 1.00 25.82 ? ? ? ? ? ? 21 ASP E C 1 +ATOM 8094 O O . ASP E 1 22 ? 7.774 15.239 123.472 1.00 26.96 ? ? ? ? ? ? 21 ASP E O 1 +ATOM 8095 C CB . ASP E 1 22 ? 6.585 14.577 120.464 1.00 26.70 ? ? ? ? ? ? 21 ASP E CB 1 +ATOM 8096 C CG . ASP E 1 22 ? 5.496 14.908 119.421 1.00 32.15 ? ? ? ? ? ? 21 ASP E CG 1 +ATOM 8097 O OD1 . ASP E 1 22 ? 4.331 15.141 119.825 1.00 35.43 ? ? ? ? ? ? 21 ASP E OD1 1 +ATOM 8098 O OD2 . ASP E 1 22 ? 5.810 14.936 118.198 1.00 32.41 ? ? ? ? ? ? 21 ASP E OD2 1 +ATOM 8099 N N . VAL E 1 23 ? 9.339 15.213 121.863 1.00 24.34 ? ? ? ? ? ? 22 VAL E N 1 +ATOM 8100 C CA . VAL E 1 23 ? 10.437 14.690 122.715 1.00 22.89 ? ? ? ? ? ? 22 VAL E CA 1 +ATOM 8101 C C . VAL E 1 23 ? 11.678 15.559 122.559 1.00 21.61 ? ? ? ? ? ? 22 VAL E C 1 +ATOM 8102 O O . VAL E 1 23 ? 11.995 15.979 121.461 1.00 19.74 ? ? ? ? ? ? 22 VAL E O 1 +ATOM 8103 C CB . VAL E 1 23 ? 10.753 13.200 122.389 1.00 22.70 ? ? ? ? ? ? 22 VAL E CB 1 +ATOM 8104 C CG1 . VAL E 1 23 ? 11.713 12.599 123.415 1.00 19.29 ? ? ? ? ? ? 22 VAL E CG1 1 +ATOM 8105 C CG2 . VAL E 1 23 ? 9.474 12.384 122.354 1.00 20.87 ? ? ? ? ? ? 22 VAL E CG2 1 +ATOM 8106 N N . ILE E 1 24 ? 12.331 15.886 123.673 1.00 19.72 ? ? ? ? ? ? 23 ILE E N 1 +ATOM 8107 C CA . ILE E 1 24 ? 13.582 16.587 123.650 1.00 18.18 ? ? ? ? ? ? 23 ILE E CA 1 +ATOM 8108 C C . ILE E 1 24 ? 14.740 15.609 123.831 1.00 18.06 ? ? ? ? ? ? 23 ILE E C 1 +ATOM 8109 O O . ILE E 1 24 ? 14.694 14.739 124.690 1.00 18.63 ? ? ? ? ? ? 23 ILE E O 1 +ATOM 8110 C CB . ILE E 1 24 ? 13.658 17.704 124.774 1.00 19.85 ? ? ? ? ? ? 23 ILE E CB 1 +ATOM 8111 C CG1 . ILE E 1 24 ? 12.422 18.615 124.767 1.00 21.08 ? ? ? ? ? ? 23 ILE E CG1 1 +ATOM 8112 C CG2 . ILE E 1 24 ? 14.949 18.522 124.631 1.00 15.28 ? ? ? ? ? ? 23 ILE E CG2 1 +ATOM 8113 C CD1 . ILE E 1 24 ? 12.256 19.452 123.484 1.00 20.29 ? ? ? ? ? ? 23 ILE E CD1 1 +ATOM 8114 N N . ILE E 1 25 ? 15.793 15.754 123.036 1.00 17.29 ? ? ? ? ? ? 24 ILE E N 1 +ATOM 8115 C CA . ILE E 1 25 ? 16.979 14.915 123.150 1.00 17.06 ? ? ? ? ? ? 24 ILE E CA 1 +ATOM 8116 C C . ILE E 1 25 ? 18.187 15.763 123.574 1.00 16.99 ? ? ? ? ? ? 24 ILE E C 1 +ATOM 8117 O O . ILE E 1 25 ? 18.460 16.785 122.947 1.00 17.53 ? ? ? ? ? ? 24 ILE E O 1 +ATOM 8118 C CB . ILE E 1 25 ? 17.388 14.229 121.797 1.00 19.00 ? ? ? ? ? ? 24 ILE E CB 1 +ATOM 8119 C CG1 . ILE E 1 25 ? 16.157 13.736 120.998 1.00 17.42 ? ? ? ? ? ? 24 ILE E CG1 1 +ATOM 8120 C CG2 . ILE E 1 25 ? 18.395 13.113 122.064 1.00 15.74 ? ? ? ? ? ? 24 ILE E CG2 1 +ATOM 8121 C CD1 . ILE E 1 25 ? 15.316 12.758 121.726 1.00 17.19 ? ? ? ? ? ? 24 ILE E CD1 1 +ATOM 8122 N N . LEU E 1 26 ? 18.898 15.336 124.617 1.00 17.06 ? ? ? ? ? ? 25 LEU E N 1 +ATOM 8123 C CA . LEU E 1 26 ? 20.050 16.054 125.147 1.00 17.44 ? ? ? ? ? ? 25 LEU E CA 1 +ATOM 8124 C C . LEU E 1 26 ? 21.292 15.189 125.010 1.00 17.78 ? ? ? ? ? ? 25 LEU E C 1 +ATOM 8125 O O . LEU E 1 26 ? 21.468 14.211 125.720 1.00 18.51 ? ? ? ? ? ? 25 LEU E O 1 +ATOM 8126 C CB . LEU E 1 26 ? 19.842 16.462 126.606 1.00 16.27 ? ? ? ? ? ? 25 LEU E CB 1 +ATOM 8127 C CG . LEU E 1 26 ? 20.971 17.204 127.310 1.00 17.35 ? ? ? ? ? ? 25 LEU E CG 1 +ATOM 8128 C CD1 . LEU E 1 26 ? 21.168 18.576 126.663 1.00 12.95 ? ? ? ? ? ? 25 LEU E CD1 1 +ATOM 8129 C CD2 . LEU E 1 26 ? 20.646 17.339 128.796 1.00 16.79 ? ? ? ? ? ? 25 LEU E CD2 1 +ATOM 8130 N N . PRO E 1 27 ? 22.100 15.497 124.013 1.00 18.39 ? ? ? ? ? ? 26 PRO E N 1 +ATOM 8131 C CA . PRO E 1 27 ? 23.362 14.845 123.883 1.00 18.41 ? ? ? ? ? ? 26 PRO E CA 1 +ATOM 8132 C C . PRO E 1 27 ? 24.285 15.323 125.027 1.00 18.98 ? ? ? ? ? ? 26 PRO E C 1 +ATOM 8133 O O . PRO E 1 27 ? 24.369 16.533 125.304 1.00 18.78 ? ? ? ? ? ? 26 PRO E O 1 +ATOM 8134 C CB . PRO E 1 27 ? 23.885 15.332 122.511 1.00 19.57 ? ? ? ? ? ? 26 PRO E CB 1 +ATOM 8135 C CG . PRO E 1 27 ? 22.802 16.008 121.854 1.00 19.11 ? ? ? ? ? ? 26 PRO E CG 1 +ATOM 8136 C CD . PRO E 1 27 ? 21.829 16.448 122.914 1.00 17.73 ? ? ? ? ? ? 26 PRO E CD 1 +ATOM 8137 N N . TRP E 1 28 ? 24.948 14.380 125.682 1.00 18.70 ? ? ? ? ? ? 27 TRP E N 1 +ATOM 8138 C CA . TRP E 1 28 ? 25.834 14.683 126.811 1.00 17.35 ? ? ? ? ? ? 27 TRP E CA 1 +ATOM 8139 C C . TRP E 1 28 ? 27.176 13.973 126.654 1.00 16.44 ? ? ? ? ? ? 27 TRP E C 1 +ATOM 8140 O O . TRP E 1 28 ? 27.269 12.745 126.639 1.00 16.94 ? ? ? ? ? ? 27 TRP E O 1 +ATOM 8141 C CB . TRP E 1 28 ? 25.165 14.318 128.146 1.00 15.21 ? ? ? ? ? ? 27 TRP E CB 1 +ATOM 8142 C CG . TRP E 1 28 ? 25.738 15.100 129.306 1.00 16.11 ? ? ? ? ? ? 27 TRP E CG 1 +ATOM 8143 C CD1 . TRP E 1 28 ? 27.054 15.232 129.625 1.00 12.78 ? ? ? ? ? ? 27 TRP E CD1 1 +ATOM 8144 C CD2 . TRP E 1 28 ? 25.009 15.832 130.303 1.00 14.79 ? ? ? ? ? ? 27 TRP E CD2 1 +ATOM 8145 N NE1 . TRP E 1 28 ? 27.188 15.993 130.742 1.00 14.57 ? ? ? ? ? ? 27 TRP E NE1 1 +ATOM 8146 C CE2 . TRP E 1 28 ? 25.953 16.390 131.177 1.00 14.57 ? ? ? ? ? ? 27 TRP E CE2 1 +ATOM 8147 C CE3 . TRP E 1 28 ? 23.649 16.080 130.530 1.00 15.38 ? ? ? ? ? ? 27 TRP E CE3 1 +ATOM 8148 C CZ2 . TRP E 1 28 ? 25.590 17.174 132.286 1.00 14.77 ? ? ? ? ? ? 27 TRP E CZ2 1 +ATOM 8149 C CZ3 . TRP E 1 28 ? 23.295 16.872 131.624 1.00 15.18 ? ? ? ? ? ? 27 TRP E CZ3 1 +ATOM 8150 C CH2 . TRP E 1 28 ? 24.273 17.392 132.492 1.00 15.64 ? ? ? ? ? ? 27 TRP E CH2 1 +ATOM 8151 N N . GLY E 1 29 ? 28.225 14.758 126.508 1.00 16.22 ? ? ? ? ? ? 28 GLY E N 1 +ATOM 8152 C CA . GLY E 1 29 ? 29.544 14.201 126.301 1.00 16.50 ? ? ? ? ? ? 28 GLY E CA 1 +ATOM 8153 C C . GLY E 1 29 ? 30.544 14.548 127.375 1.00 16.97 ? ? ? ? ? ? 28 GLY E C 1 +ATOM 8154 O O . GLY E 1 29 ? 30.293 14.381 128.570 1.00 16.40 ? ? ? ? ? ? 28 GLY E O 1 +ATOM 8155 N N . ALA E 1 30 ? 31.697 15.020 126.901 1.00 17.47 ? ? ? ? ? ? 29 ALA E N 1 +ATOM 8156 C CA . ALA E 1 30 ? 32.887 15.252 127.688 1.00 16.78 ? ? ? ? ? ? 29 ALA E CA 1 +ATOM 8157 C C . ALA E 1 30 ? 33.903 15.985 126.816 1.00 17.43 ? ? ? ? ? ? 29 ALA E C 1 +ATOM 8158 O O . ALA E 1 30 ? 33.878 15.851 125.597 1.00 18.44 ? ? ? ? ? ? 29 ALA E O 1 +ATOM 8159 C CB . ALA E 1 30 ? 33.460 13.960 128.153 1.00 14.61 ? ? ? ? ? ? 29 ALA E CB 1 +ATOM 8160 N N . THR E 1 31 ? 34.776 16.759 127.464 1.00 18.57 ? ? ? ? ? ? 30 THR E N 1 +ATOM 8161 C CA . THR E 1 31 ? 35.963 17.342 126.861 1.00 18.59 ? ? ? ? ? ? 30 THR E CA 1 +ATOM 8162 C C . THR E 1 31 ? 37.128 16.523 127.370 1.00 20.08 ? ? ? ? ? ? 30 THR E C 1 +ATOM 8163 O O . THR E 1 31 ? 37.537 16.664 128.523 1.00 19.44 ? ? ? ? ? ? 30 THR E O 1 +ATOM 8164 C CB . THR E 1 31 ? 36.121 18.811 127.226 1.00 19.62 ? ? ? ? ? ? 30 THR E CB 1 +ATOM 8165 O OG1 . THR E 1 31 ? 34.905 19.498 126.894 1.00 19.14 ? ? ? ? ? ? 30 THR E OG1 1 +ATOM 8166 C CG2 . THR E 1 31 ? 37.259 19.445 126.471 1.00 13.39 ? ? ? ? ? ? 30 THR E CG2 1 +ATOM 8167 N N . GLU E 1 32 ? 37.640 15.658 126.495 1.00 20.33 ? ? ? ? ? ? 31 GLU E N 1 +ATOM 8168 C CA . GLU E 1 32 ? 38.502 14.545 126.876 1.00 20.48 ? ? ? ? ? ? 31 GLU E CA 1 +ATOM 8169 C C . GLU E 1 32 ? 39.413 14.076 125.731 1.00 21.01 ? ? ? ? ? ? 31 GLU E C 1 +ATOM 8170 O O . GLU E 1 32 ? 38.947 13.764 124.619 1.00 21.22 ? ? ? ? ? ? 31 GLU E O 1 +ATOM 8171 C CB . GLU E 1 32 ? 37.611 13.356 127.245 1.00 19.58 ? ? ? ? ? ? 31 GLU E CB 1 +ATOM 8172 C CG . GLU E 1 32 ? 38.344 12.135 127.748 1.00 19.69 ? ? ? ? ? ? 31 GLU E CG 1 +ATOM 8173 C CD . GLU E 1 32 ? 37.422 11.003 128.099 1.00 24.12 ? ? ? ? ? ? 31 GLU E CD 1 +ATOM 8174 O OE1 . GLU E 1 32 ? 36.371 10.932 127.468 1.00 22.03 ? ? ? ? ? ? 31 GLU E OE1 1 +ATOM 8175 O OE2 . GLU E 1 32 ? 37.771 10.162 128.964 1.00 27.89 ? ? ? ? ? ? 31 GLU E OE2 1 +ATOM 8176 N N . PRO E 1 33 ? 40.695 13.904 126.018 1.00 22.34 ? ? ? ? ? ? 32 PRO E N 1 +ATOM 8177 C CA . PRO E 1 33 ? 41.561 13.325 125.025 1.00 22.27 ? ? ? ? ? ? 32 PRO E CA 1 +ATOM 8178 C C . PRO E 1 33 ? 41.154 11.894 124.679 1.00 21.40 ? ? ? ? ? ? 32 PRO E C 1 +ATOM 8179 O O . PRO E 1 33 ? 40.918 11.096 125.566 1.00 20.38 ? ? ? ? ? ? 32 PRO E O 1 +ATOM 8180 C CB . PRO E 1 33 ? 42.929 13.315 125.710 1.00 23.76 ? ? ? ? ? ? 32 PRO E CB 1 +ATOM 8181 C CG . PRO E 1 33 ? 42.817 14.162 126.886 1.00 24.21 ? ? ? ? ? ? 32 PRO E CG 1 +ATOM 8182 C CD . PRO E 1 33 ? 41.393 14.197 127.271 1.00 21.37 ? ? ? ? ? ? 32 PRO E CD 1 +ATOM 8183 N N . HIS E 1 34 ? 41.131 11.591 123.380 1.00 20.72 ? ? ? ? ? ? 33 HIS E N 1 +ATOM 8184 C CA . HIS E 1 34 ? 40.746 10.291 122.850 1.00 19.85 ? ? ? ? ? ? 33 HIS E CA 1 +ATOM 8185 C C . HIS E 1 34 ? 41.895 9.660 122.033 1.00 20.63 ? ? ? ? ? ? 33 HIS E C 1 +ATOM 8186 O O . HIS E 1 34 ? 41.920 9.796 120.818 1.00 18.58 ? ? ? ? ? ? 33 HIS E O 1 +ATOM 8187 C CB . HIS E 1 34 ? 39.526 10.459 121.956 1.00 19.72 ? ? ? ? ? ? 33 HIS E CB 1 +ATOM 8188 C CG . HIS E 1 34 ? 38.214 10.448 122.681 1.00 17.06 ? ? ? ? ? ? 33 HIS E CG 1 +ATOM 8189 N ND1 . HIS E 1 34 ? 37.738 11.531 123.381 1.00 15.96 ? ? ? ? ? ? 33 HIS E ND1 1 +ATOM 8190 C CD2 . HIS E 1 34 ? 37.257 9.496 122.765 1.00 19.69 ? ? ? ? ? ? 33 HIS E CD2 1 +ATOM 8191 C CE1 . HIS E 1 34 ? 36.573 11.222 123.921 1.00 21.79 ? ? ? ? ? ? 33 HIS E CE1 1 +ATOM 8192 N NE2 . HIS E 1 34 ? 36.250 9.998 123.550 1.00 17.98 ? ? ? ? ? ? 33 HIS E NE2 1 +ATOM 8193 N N . ASN E 1 35 ? 42.802 8.931 122.681 1.00 21.11 ? ? ? ? ? ? 34 ASN E N 1 +ATOM 8194 C CA . ASN E 1 35 ? 44.054 8.500 122.009 1.00 22.61 ? ? ? ? ? ? 34 ASN E CA 1 +ATOM 8195 C C . ASN E 1 35 ? 44.655 9.793 121.377 1.00 23.48 ? ? ? ? ? ? 34 ASN E C 1 +ATOM 8196 O O . ASN E 1 35 ? 44.285 10.915 121.778 1.00 24.37 ? ? ? ? ? ? 34 ASN E O 1 +ATOM 8197 C CB . ASN E 1 35 ? 43.725 7.364 120.988 1.00 23.82 ? ? ? ? ? ? 34 ASN E CB 1 +ATOM 8198 C CG . ASN E 1 35 ? 44.940 6.574 120.494 1.00 20.20 ? ? ? ? ? ? 34 ASN E CG 1 +ATOM 8199 O OD1 . ASN E 1 35 ? 46.012 7.139 120.232 1.00 19.88 ? ? ? ? ? ? 34 ASN E OD1 1 +ATOM 8200 N ND2 . ASN E 1 35 ? 44.746 5.263 120.278 1.00 17.82 ? ? ? ? ? ? 34 ASN E ND2 1 +ATOM 8201 N N . LEU E 1 36 ? 45.520 9.672 120.383 1.00 23.86 ? ? ? ? ? ? 35 LEU E N 1 +ATOM 8202 C CA . LEU E 1 36 ? 46.130 10.856 119.762 1.00 23.18 ? ? ? ? ? ? 35 LEU E CA 1 +ATOM 8203 C C . LEU E 1 36 ? 45.359 11.388 118.559 1.00 21.91 ? ? ? ? ? ? 35 LEU E C 1 +ATOM 8204 O O . LEU E 1 36 ? 45.603 12.496 118.119 1.00 24.12 ? ? ? ? ? ? 35 LEU E O 1 +ATOM 8205 C CB . LEU E 1 36 ? 47.574 10.530 119.353 1.00 25.10 ? ? ? ? ? ? 35 LEU E CB 1 +ATOM 8206 C CG . LEU E 1 36 ? 48.483 9.859 120.389 1.00 26.09 ? ? ? ? ? ? 35 LEU E CG 1 +ATOM 8207 C CD1 . LEU E 1 36 ? 49.664 9.200 119.716 1.00 25.97 ? ? ? ? ? ? 35 LEU E CD1 1 +ATOM 8208 C CD2 . LEU E 1 36 ? 48.950 10.846 121.461 1.00 24.12 ? ? ? ? ? ? 35 LEU E CD2 1 +ATOM 8209 N N . HIS E 1 37 ? 44.423 10.608 118.030 1.00 22.20 ? ? ? ? ? ? 36 HIS E N 1 +ATOM 8210 C CA . HIS E 1 37 ? 43.820 10.877 116.711 1.00 22.20 ? ? ? ? ? ? 36 HIS E CA 1 +ATOM 8211 C C . HIS E 1 37 ? 42.394 11.416 116.700 1.00 22.17 ? ? ? ? ? ? 36 HIS E C 1 +ATOM 8212 O O . HIS E 1 37 ? 41.983 12.039 115.748 1.00 22.57 ? ? ? ? ? ? 36 HIS E O 1 +ATOM 8213 C CB . HIS E 1 37 ? 43.862 9.623 115.857 1.00 22.74 ? ? ? ? ? ? 36 HIS E CB 1 +ATOM 8214 C CG . HIS E 1 37 ? 43.030 8.507 116.382 1.00 19.46 ? ? ? ? ? ? 36 HIS E CG 1 +ATOM 8215 N ND1 . HIS E 1 37 ? 43.132 8.045 117.675 1.00 20.84 ? ? ? ? ? ? 36 HIS E ND1 1 +ATOM 8216 C CD2 . HIS E 1 37 ? 42.081 7.763 115.789 1.00 14.91 ? ? ? ? ? ? 36 HIS E CD2 1 +ATOM 8217 C CE1 . HIS E 1 37 ? 42.274 7.061 117.856 1.00 19.89 ? ? ? ? ? ? 36 HIS E CE1 1 +ATOM 8218 N NE2 . HIS E 1 37 ? 41.643 6.849 116.718 1.00 19.44 ? ? ? ? ? ? 36 HIS E NE2 1 +ATOM 8219 N N . LEU E 1 38 ? 41.652 11.192 117.774 1.00 21.49 ? ? ? ? ? ? 37 LEU E N 1 +ATOM 8220 C CA . LEU E 1 38 ? 40.256 11.578 117.805 1.00 20.36 ? ? ? ? ? ? 37 LEU E CA 1 +ATOM 8221 C C . LEU E 1 38 ? 40.073 12.927 118.512 1.00 19.84 ? ? ? ? ? ? 37 LEU E C 1 +ATOM 8222 O O . LEU E 1 38 ? 40.882 13.297 119.396 1.00 19.67 ? ? ? ? ? ? 37 LEU E O 1 +ATOM 8223 C CB . LEU E 1 38 ? 39.420 10.488 118.471 1.00 20.62 ? ? ? ? ? ? 37 LEU E CB 1 +ATOM 8224 C CG . LEU E 1 38 ? 39.008 9.274 117.671 1.00 20.64 ? ? ? ? ? ? 37 LEU E CG 1 +ATOM 8225 C CD1 . LEU E 1 38 ? 38.299 8.298 118.613 1.00 18.01 ? ? ? ? ? ? 37 LEU E CD1 1 +ATOM 8226 C CD2 . LEU E 1 38 ? 38.094 9.657 116.504 1.00 21.17 ? ? ? ? ? ? 37 LEU E CD2 1 +ATOM 8227 N N . PRO E 1 39 ? 39.037 13.678 118.091 1.00 20.67 ? ? ? ? ? ? 38 PRO E N 1 +ATOM 8228 C CA . PRO E 1 39 ? 38.738 14.960 118.683 1.00 20.91 ? ? ? ? ? ? 38 PRO E CA 1 +ATOM 8229 C C . PRO E 1 39 ? 38.460 14.914 120.195 1.00 19.80 ? ? ? ? ? ? 38 PRO E C 1 +ATOM 8230 O O . PRO E 1 39 ? 37.830 13.972 120.699 1.00 18.76 ? ? ? ? ? ? 38 PRO E O 1 +ATOM 8231 C CB . PRO E 1 39 ? 37.465 15.415 117.953 1.00 22.61 ? ? ? ? ? ? 38 PRO E CB 1 +ATOM 8232 C CG . PRO E 1 39 ? 37.387 14.644 116.721 1.00 20.11 ? ? ? ? ? ? 38 PRO E CG 1 +ATOM 8233 C CD . PRO E 1 39 ? 38.080 13.347 117.008 1.00 20.85 ? ? ? ? ? ? 38 PRO E CD 1 +ATOM 8234 N N . TYR E 1 40 ? 38.919 15.959 120.880 1.00 18.95 ? ? ? ? ? ? 39 TYR E N 1 +ATOM 8235 C CA . TYR E 1 40 ? 38.544 16.220 122.268 1.00 18.82 ? ? ? ? ? ? 39 TYR E CA 1 +ATOM 8236 C C . TYR E 1 40 ? 37.039 16.162 122.541 1.00 18.30 ? ? ? ? ? ? 39 TYR E C 1 +ATOM 8237 O O . TYR E 1 40 ? 36.641 15.781 123.638 1.00 18.52 ? ? ? ? ? ? 39 TYR E O 1 +ATOM 8238 C CB . TYR E 1 40 ? 39.061 17.585 122.700 1.00 18.37 ? ? ? ? ? ? 39 TYR E CB 1 +ATOM 8239 C CG . TYR E 1 40 ? 40.483 17.550 123.205 1.00 19.17 ? ? ? ? ? ? 39 TYR E CG 1 +ATOM 8240 C CD1 . TYR E 1 40 ? 41.552 17.636 122.334 1.00 20.29 ? ? ? ? ? ? 39 TYR E CD1 1 +ATOM 8241 C CD2 . TYR E 1 40 ? 40.745 17.463 124.558 1.00 15.72 ? ? ? ? ? ? 39 TYR E CD2 1 +ATOM 8242 C CE1 . TYR E 1 40 ? 42.900 17.584 122.815 1.00 20.43 ? ? ? ? ? ? 39 TYR E CE1 1 +ATOM 8243 C CE2 . TYR E 1 40 ? 42.032 17.444 125.037 1.00 23.13 ? ? ? ? ? ? 39 TYR E CE2 1 +ATOM 8244 C CZ . TYR E 1 40 ? 43.109 17.492 124.176 1.00 21.13 ? ? ? ? ? ? 39 TYR E CZ 1 +ATOM 8245 O OH . TYR E 1 40 ? 44.379 17.451 124.704 1.00 24.12 ? ? ? ? ? ? 39 TYR E OH 1 +ATOM 8246 N N . LEU E 1 41 ? 36.237 16.566 121.543 1.00 18.11 ? ? ? ? ? ? 40 LEU E N 1 +ATOM 8247 C CA . LEU E 1 41 ? 34.761 16.605 121.625 1.00 17.51 ? ? ? ? ? ? 40 LEU E CA 1 +ATOM 8248 C C . LEU E 1 41 ? 34.026 15.394 121.001 1.00 17.77 ? ? ? ? ? ? 40 LEU E C 1 +ATOM 8249 O O . LEU E 1 41 ? 32.826 15.461 120.765 1.00 18.10 ? ? ? ? ? ? 40 LEU E O 1 +ATOM 8250 C CB . LEU E 1 41 ? 34.235 17.925 121.042 1.00 17.02 ? ? ? ? ? ? 40 LEU E CB 1 +ATOM 8251 C CG . LEU E 1 41 ? 34.478 19.230 121.843 1.00 18.54 ? ? ? ? ? ? 40 LEU E CG 1 +ATOM 8252 C CD1 . LEU E 1 41 ? 33.782 20.433 121.140 1.00 17.48 ? ? ? ? ? ? 40 LEU E CD1 1 +ATOM 8253 C CD2 . LEU E 1 41 ? 34.052 19.136 123.297 1.00 12.93 ? ? ? ? ? ? 40 LEU E CD2 1 +ATOM 8254 N N . THR E 1 42 ? 34.733 14.274 120.819 1.00 18.73 ? ? ? ? ? ? 41 THR E N 1 +ATOM 8255 C CA . THR E 1 42 ? 34.147 13.013 120.328 1.00 18.25 ? ? ? ? ? ? 41 THR E CA 1 +ATOM 8256 C C . THR E 1 42 ? 32.853 12.620 121.073 1.00 18.91 ? ? ? ? ? ? 41 THR E C 1 +ATOM 8257 O O . THR E 1 42 ? 31.880 12.292 120.447 1.00 18.14 ? ? ? ? ? ? 41 THR E O 1 +ATOM 8258 C CB . THR E 1 42 ? 35.187 11.855 120.400 1.00 19.86 ? ? ? ? ? ? 41 THR E CB 1 +ATOM 8259 O OG1 . THR E 1 42 ? 36.287 12.136 119.530 1.00 16.32 ? ? ? ? ? ? 41 THR E OG1 1 +ATOM 8260 C CG2 . THR E 1 42 ? 34.563 10.496 120.020 1.00 18.06 ? ? ? ? ? ? 41 THR E CG2 1 +ATOM 8261 N N . ASP E 1 43 ? 32.825 12.695 122.404 1.00 19.08 ? ? ? ? ? ? 42 ASP E N 1 +ATOM 8262 C CA . ASP E 1 43 ? 31.658 12.239 123.161 1.00 17.85 ? ? ? ? ? ? 42 ASP E CA 1 +ATOM 8263 C C . ASP E 1 43 ? 30.461 13.161 123.083 1.00 18.36 ? ? ? ? ? ? 42 ASP E C 1 +ATOM 8264 O O . ASP E 1 43 ? 29.357 12.761 123.445 1.00 17.85 ? ? ? ? ? ? 42 ASP E O 1 +ATOM 8265 C CB . ASP E 1 43 ? 32.015 12.062 124.632 1.00 19.64 ? ? ? ? ? ? 42 ASP E CB 1 +ATOM 8266 C CG . ASP E 1 43 ? 33.016 10.959 124.843 1.00 17.00 ? ? ? ? ? ? 42 ASP E CG 1 +ATOM 8267 O OD1 . ASP E 1 43 ? 33.221 10.155 123.907 1.00 21.61 ? ? ? ? ? ? 42 ASP E OD1 1 +ATOM 8268 O OD2 . ASP E 1 43 ? 33.614 10.914 125.916 1.00 21.58 ? ? ? ? ? ? 42 ASP E OD2 1 +ATOM 8269 N N . CYS E 1 44 ? 30.682 14.385 122.628 1.00 18.04 ? ? ? ? ? ? 43 CYS E N 1 +ATOM 8270 C CA . CYS E 1 44 ? 29.585 15.279 122.220 1.00 19.97 ? ? ? ? ? ? 43 CYS E CA 1 +ATOM 8271 C C . CYS E 1 44 ? 29.110 15.077 120.784 1.00 19.36 ? ? ? ? ? ? 43 CYS E C 1 +ATOM 8272 O O . CYS E 1 44 ? 27.899 15.078 120.528 1.00 18.86 ? ? ? ? ? ? 43 CYS E O 1 +ATOM 8273 C CB . CYS E 1 44 ? 30.017 16.743 122.324 1.00 20.46 ? ? ? ? ? ? 43 CYS E CB 1 +ATOM 8274 S SG . CYS E 1 44 ? 30.322 17.291 123.987 1.00 20.79 ? ? ? ? ? ? 43 CYS E SG 1 +ATOM 8275 N N . ILE E 1 45 ? 30.072 15.014 119.855 1.00 18.53 ? ? ? ? ? ? 44 ILE E N 1 +ATOM 8276 C CA . ILE E 1 45 ? 29.793 14.959 118.406 1.00 18.63 ? ? ? ? ? ? 44 ILE E CA 1 +ATOM 8277 C C . ILE E 1 45 ? 29.027 13.675 118.041 1.00 19.45 ? ? ? ? ? ? 44 ILE E C 1 +ATOM 8278 O O . ILE E 1 45 ? 28.007 13.741 117.377 1.00 20.45 ? ? ? ? ? ? 44 ILE E O 1 +ATOM 8279 C CB . ILE E 1 45 ? 31.111 15.099 117.569 1.00 16.45 ? ? ? ? ? ? 44 ILE E CB 1 +ATOM 8280 C CG1 . ILE E 1 45 ? 31.746 16.477 117.795 1.00 20.97 ? ? ? ? ? ? 44 ILE E CG1 1 +ATOM 8281 C CG2 . ILE E 1 45 ? 30.874 14.857 116.071 1.00 17.77 ? ? ? ? ? ? 44 ILE E CG2 1 +ATOM 8282 C CD1 . ILE E 1 45 ? 33.234 16.563 117.430 1.00 16.45 ? ? ? ? ? ? 44 ILE E CD1 1 +ATOM 8283 N N . LEU E 1 46 ? 29.473 12.531 118.543 1.00 18.95 ? ? ? ? ? ? 45 LEU E N 1 +ATOM 8284 C CA . LEU E 1 46 ? 28.867 11.244 118.147 1.00 19.07 ? ? ? ? ? ? 45 LEU E CA 1 +ATOM 8285 C C . LEU E 1 46 ? 27.381 11.113 118.552 1.00 18.30 ? ? ? ? ? ? 45 LEU E C 1 +ATOM 8286 O O . LEU E 1 46 ? 26.549 10.857 117.694 1.00 17.80 ? ? ? ? ? ? 45 LEU E O 1 +ATOM 8287 C CB . LEU E 1 46 ? 29.710 10.063 118.630 1.00 19.23 ? ? ? ? ? ? 45 LEU E CB 1 +ATOM 8288 C CG . LEU E 1 46 ? 31.127 9.963 118.019 1.00 18.08 ? ? ? ? ? ? 45 LEU E CG 1 +ATOM 8289 C CD1 . LEU E 1 46 ? 31.800 8.590 118.292 1.00 17.04 ? ? ? ? ? ? 45 LEU E CD1 1 +ATOM 8290 C CD2 . LEU E 1 46 ? 31.126 10.250 116.528 1.00 16.31 ? ? ? ? ? ? 45 LEU E CD2 1 +ATOM 8291 N N . PRO E 1 47 ? 27.050 11.329 119.839 1.00 18.74 ? ? ? ? ? ? 46 PRO E N 1 +ATOM 8292 C CA . PRO E 1 47 ? 25.633 11.324 120.223 1.00 18.41 ? ? ? ? ? ? 46 PRO E CA 1 +ATOM 8293 C C . PRO E 1 47 ? 24.783 12.423 119.574 1.00 18.44 ? ? ? ? ? ? 46 PRO E C 1 +ATOM 8294 O O . PRO E 1 47 ? 23.602 12.210 119.350 1.00 20.20 ? ? ? ? ? ? 46 PRO E O 1 +ATOM 8295 C CB . PRO E 1 47 ? 25.671 11.456 121.744 1.00 17.97 ? ? ? ? ? ? 46 PRO E CB 1 +ATOM 8296 C CG . PRO E 1 47 ? 26.963 12.119 122.043 1.00 19.91 ? ? ? ? ? ? 46 PRO E CG 1 +ATOM 8297 C CD . PRO E 1 47 ? 27.928 11.518 121.016 1.00 19.37 ? ? ? ? ? ? 46 PRO E CD 1 +ATOM 8298 N N . HIS E 1 48 ? 25.370 13.579 119.298 1.00 19.29 ? ? ? ? ? ? 47 HIS E N 1 +ATOM 8299 C CA . HIS E 1 48 ? 24.654 14.611 118.572 1.00 20.86 ? ? ? ? ? ? 47 HIS E CA 1 +ATOM 8300 C C . HIS E 1 48 ? 24.235 14.138 117.174 1.00 19.11 ? ? ? ? ? ? 47 HIS E C 1 +ATOM 8301 O O . HIS E 1 48 ? 23.063 14.212 116.822 1.00 18.93 ? ? ? ? ? ? 47 HIS E O 1 +ATOM 8302 C CB . HIS E 1 48 ? 25.501 15.873 118.465 1.00 19.82 ? ? ? ? ? ? 47 HIS E CB 1 +ATOM 8303 C CG . HIS E 1 48 ? 24.920 16.897 117.562 1.00 16.76 ? ? ? ? ? ? 47 HIS E CG 1 +ATOM 8304 N ND1 . HIS E 1 48 ? 25.070 16.847 116.194 1.00 21.83 ? ? ? ? ? ? 47 HIS E ND1 1 +ATOM 8305 C CD2 . HIS E 1 48 ? 24.153 17.975 117.817 1.00 20.52 ? ? ? ? ? ? 47 HIS E CD2 1 +ATOM 8306 C CE1 . HIS E 1 48 ? 24.425 17.854 115.645 1.00 24.19 ? ? ? ? ? ? 47 HIS E CE1 1 +ATOM 8307 N NE2 . HIS E 1 48 ? 23.844 18.547 116.608 1.00 25.37 ? ? ? ? ? ? 47 HIS E NE2 1 +ATOM 8308 N N . ASP E 1 49 ? 25.194 13.661 116.387 1.00 20.51 ? ? ? ? ? ? 48 ASP E N 1 +ATOM 8309 C CA . ASP E 1 49 ? 24.941 13.209 115.003 1.00 21.01 ? ? ? ? ? ? 48 ASP E CA 1 +ATOM 8310 C C . ASP E 1 49 ? 24.012 11.995 114.934 1.00 20.35 ? ? ? ? ? ? 48 ASP E C 1 +ATOM 8311 O O . ASP E 1 49 ? 23.096 11.948 114.119 1.00 21.07 ? ? ? ? ? ? 48 ASP E O 1 +ATOM 8312 C CB . ASP E 1 49 ? 26.268 12.901 114.292 1.00 23.13 ? ? ? ? ? ? 48 ASP E CB 1 +ATOM 8313 C CG . ASP E 1 49 ? 27.118 14.135 114.062 1.00 22.21 ? ? ? ? ? ? 48 ASP E CG 1 +ATOM 8314 O OD1 . ASP E 1 49 ? 26.708 15.261 114.380 1.00 29.07 ? ? ? ? ? ? 48 ASP E OD1 1 +ATOM 8315 O OD2 . ASP E 1 49 ? 28.225 13.979 113.574 1.00 29.33 ? ? ? ? ? ? 48 ASP E OD2 1 +ATOM 8316 N N . ILE E 1 50 ? 24.188 11.065 115.856 1.00 19.53 ? ? ? ? ? ? 49 ILE E N 1 +ATOM 8317 C CA . ILE E 1 50 ? 23.293 9.914 116.009 1.00 18.27 ? ? ? ? ? ? 49 ILE E CA 1 +ATOM 8318 C C . ILE E 1 50 ? 21.887 10.359 116.368 1.00 19.64 ? ? ? ? ? ? 49 ILE E C 1 +ATOM 8319 O O . ILE E 1 50 ? 20.912 9.901 115.746 1.00 19.59 ? ? ? ? ? ? 49 ILE E O 1 +ATOM 8320 C CB . ILE E 1 50 ? 23.851 8.925 117.080 1.00 17.72 ? ? ? ? ? ? 49 ILE E CB 1 +ATOM 8321 C CG1 . ILE E 1 50 ? 25.095 8.228 116.522 1.00 17.59 ? ? ? ? ? ? 49 ILE E CG1 1 +ATOM 8322 C CG2 . ILE E 1 50 ? 22.813 7.859 117.474 1.00 13.11 ? ? ? ? ? ? 49 ILE E CG2 1 +ATOM 8323 C CD1 . ILE E 1 50 ? 25.798 7.434 117.517 1.00 14.75 ? ? ? ? ? ? 49 ILE E CD1 1 +ATOM 8324 N N . ALA E 1 51 ? 21.781 11.280 117.345 1.00 19.60 ? ? ? ? ? ? 50 ALA E N 1 +ATOM 8325 C CA . ALA E 1 51 ? 20.463 11.809 117.772 1.00 19.54 ? ? ? ? ? ? 50 ALA E CA 1 +ATOM 8326 C C . ALA E 1 51 ? 19.732 12.516 116.645 1.00 18.95 ? ? ? ? ? ? 50 ALA E C 1 +ATOM 8327 O O . ALA E 1 51 ? 18.547 12.304 116.475 1.00 20.18 ? ? ? ? ? ? 50 ALA E O 1 +ATOM 8328 C CB . ALA E 1 51 ? 20.576 12.745 119.033 1.00 16.48 ? ? ? ? ? ? 50 ALA E CB 1 +ATOM 8329 N N . VAL E 1 52 ? 20.435 13.337 115.873 1.00 19.45 ? ? ? ? ? ? 51 VAL E N 1 +ATOM 8330 C CA . VAL E 1 52 ? 19.836 14.047 114.750 1.00 20.38 ? ? ? ? ? ? 51 VAL E CA 1 +ATOM 8331 C C . VAL E 1 52 ? 19.281 13.033 113.736 1.00 20.82 ? ? ? ? ? ? 51 VAL E C 1 +ATOM 8332 O O . VAL E 1 52 ? 18.114 13.140 113.310 1.00 20.66 ? ? ? ? ? ? 51 VAL E O 1 +ATOM 8333 C CB . VAL E 1 52 ? 20.840 15.052 114.103 1.00 20.78 ? ? ? ? ? ? 51 VAL E CB 1 +ATOM 8334 C CG1 . VAL E 1 52 ? 20.358 15.509 112.701 1.00 18.22 ? ? ? ? ? ? 51 VAL E CG1 1 +ATOM 8335 C CG2 . VAL E 1 52 ? 21.020 16.266 115.015 1.00 16.84 ? ? ? ? ? ? 51 VAL E CG2 1 +ATOM 8336 N N . GLU E 1 53 ? 20.079 12.025 113.383 1.00 21.39 ? ? ? ? ? ? 52 GLU E N 1 +ATOM 8337 C CA . GLU E 1 53 ? 19.587 10.961 112.471 1.00 21.97 ? ? ? ? ? ? 52 GLU E CA 1 +ATOM 8338 C C . GLU E 1 53 ? 18.364 10.183 112.980 1.00 21.35 ? ? ? ? ? ? 52 GLU E C 1 +ATOM 8339 O O . GLU E 1 53 ? 17.461 9.892 112.224 1.00 22.58 ? ? ? ? ? ? 52 GLU E O 1 +ATOM 8340 C CB . GLU E 1 53 ? 20.687 9.972 112.133 1.00 22.84 ? ? ? ? ? ? 52 GLU E CB 1 +ATOM 8341 C CG . GLU E 1 53 ? 21.718 10.498 111.172 1.00 28.81 ? ? ? ? ? ? 52 GLU E CG 1 +ATOM 8342 C CD . GLU E 1 53 ? 22.549 9.401 110.521 1.00 31.67 ? ? ? ? ? ? 52 GLU E CD 1 +ATOM 8343 O OE1 . GLU E 1 53 ? 22.483 8.226 110.943 1.00 43.06 ? ? ? ? ? ? 52 GLU E OE1 1 +ATOM 8344 O OE2 . GLU E 1 53 ? 23.288 9.729 109.581 1.00 47.29 ? ? ? ? ? ? 52 GLU E OE2 1 +ATOM 8345 N N . ALA E 1 54 ? 18.357 9.841 114.258 1.00 20.70 ? ? ? ? ? ? 53 ALA E N 1 +ATOM 8346 C CA . ALA E 1 54 ? 17.214 9.192 114.901 1.00 19.00 ? ? ? ? ? ? 53 ALA E CA 1 +ATOM 8347 C C . ALA E 1 54 ? 15.992 10.110 114.875 1.00 19.78 ? ? ? ? ? ? 53 ALA E C 1 +ATOM 8348 O O . ALA E 1 54 ? 14.888 9.639 114.588 1.00 20.08 ? ? ? ? ? ? 53 ALA E O 1 +ATOM 8349 C CB . ALA E 1 54 ? 17.565 8.798 116.330 1.00 16.95 ? ? ? ? ? ? 53 ALA E CB 1 +ATOM 8350 N N . ALA E 1 55 ? 16.206 11.413 115.119 1.00 20.01 ? ? ? ? ? ? 54 ALA E N 1 +ATOM 8351 C CA . ALA E 1 55 ? 15.133 12.420 115.035 1.00 21.16 ? ? ? ? ? ? 54 ALA E CA 1 +ATOM 8352 C C . ALA E 1 55 ? 14.573 12.551 113.633 1.00 20.54 ? ? ? ? ? ? 54 ALA E C 1 +ATOM 8353 O O . ALA E 1 55 ? 13.364 12.631 113.460 1.00 21.82 ? ? ? ? ? ? 54 ALA E O 1 +ATOM 8354 C CB . ALA E 1 55 ? 15.588 13.807 115.559 1.00 19.24 ? ? ? ? ? ? 54 ALA E CB 1 +ATOM 8355 N N . GLU E 1 56 ? 15.440 12.566 112.638 1.00 22.10 ? ? ? ? ? ? 55 GLU E N 1 +ATOM 8356 C CA . GLU E 1 56 ? 15.011 12.573 111.227 1.00 24.03 ? ? ? ? ? ? 55 GLU E CA 1 +ATOM 8357 C C . GLU E 1 56 ? 14.167 11.325 110.862 1.00 23.66 ? ? ? ? ? ? 55 GLU E C 1 +ATOM 8358 O O . GLU E 1 56 ? 13.121 11.437 110.254 1.00 23.29 ? ? ? ? ? ? 55 GLU E O 1 +ATOM 8359 C CB . GLU E 1 56 ? 16.223 12.734 110.301 1.00 22.77 ? ? ? ? ? ? 55 GLU E CB 1 +ATOM 8360 C CG . GLU E 1 56 ? 16.848 14.115 110.406 1.00 24.85 ? ? ? ? ? ? 55 GLU E CG 1 +ATOM 8361 C CD . GLU E 1 56 ? 18.080 14.287 109.543 1.00 30.51 ? ? ? ? ? ? 55 GLU E CD 1 +ATOM 8362 O OE1 . GLU E 1 56 ? 18.793 13.276 109.310 1.00 35.43 ? ? ? ? ? ? 55 GLU E OE1 1 +ATOM 8363 O OE2 . GLU E 1 56 ? 18.329 15.437 109.089 1.00 36.15 ? ? ? ? ? ? 55 GLU E OE2 1 +ATOM 8364 N N . LEU E 1 57 ? 14.617 10.151 111.271 1.00 23.45 ? ? ? ? ? ? 56 LEU E N 1 +ATOM 8365 C CA . LEU E 1 57 ? 13.855 8.925 111.056 1.00 23.09 ? ? ? ? ? ? 56 LEU E CA 1 +ATOM 8366 C C . LEU E 1 57 ? 12.511 8.923 111.772 1.00 24.86 ? ? ? ? ? ? 56 LEU E C 1 +ATOM 8367 O O . LEU E 1 57 ? 11.494 8.574 111.171 1.00 25.52 ? ? ? ? ? ? 56 LEU E O 1 +ATOM 8368 C CB . LEU E 1 57 ? 14.673 7.699 111.462 1.00 22.75 ? ? ? ? ? ? 56 LEU E CB 1 +ATOM 8369 C CG . LEU E 1 57 ? 14.082 6.308 111.239 1.00 24.36 ? ? ? ? ? ? 56 LEU E CG 1 +ATOM 8370 C CD1 . LEU E 1 57 ? 13.676 6.122 109.796 1.00 20.56 ? ? ? ? ? ? 56 LEU E CD1 1 +ATOM 8371 C CD2 . LEU E 1 57 ? 15.120 5.253 111.698 1.00 21.51 ? ? ? ? ? ? 56 LEU E CD2 1 +ATOM 8372 N N . ALA E 1 58 ? 12.469 9.325 113.043 1.00 24.15 ? ? ? ? ? ? 57 ALA E N 1 +ATOM 8373 C CA . ALA E 1 58 ? 11.185 9.359 113.731 1.00 24.13 ? ? ? ? ? ? 57 ALA E CA 1 +ATOM 8374 C C . ALA E 1 58 ? 10.199 10.327 113.073 1.00 24.92 ? ? ? ? ? ? 57 ALA E C 1 +ATOM 8375 O O . ALA E 1 58 ? 9.000 10.071 113.047 1.00 25.95 ? ? ? ? ? ? 57 ALA E O 1 +ATOM 8376 C CB . ALA E 1 58 ? 11.349 9.683 115.225 1.00 23.02 ? ? ? ? ? ? 57 ALA E CB 1 +ATOM 8377 N N . LEU E 1 59 ? 10.696 11.445 112.562 1.00 25.02 ? ? ? ? ? ? 58 LEU E N 1 +ATOM 8378 C CA . LEU E 1 59 ? 9.839 12.384 111.859 1.00 25.62 ? ? ? ? ? ? 58 LEU E CA 1 +ATOM 8379 C C . LEU E 1 59 ? 9.352 11.780 110.533 1.00 26.81 ? ? ? ? ? ? 58 LEU E C 1 +ATOM 8380 O O . LEU E 1 59 ? 8.149 11.713 110.292 1.00 26.76 ? ? ? ? ? ? 58 LEU E O 1 +ATOM 8381 C CB . LEU E 1 59 ? 10.554 13.718 111.650 1.00 25.74 ? ? ? ? ? ? 58 LEU E CB 1 +ATOM 8382 C CG . LEU E 1 59 ? 9.809 14.919 111.055 1.00 27.69 ? ? ? ? ? ? 58 LEU E CG 1 +ATOM 8383 C CD1 . LEU E 1 59 ? 8.518 15.208 111.816 1.00 22.29 ? ? ? ? ? ? 58 LEU E CD1 1 +ATOM 8384 C CD2 . LEU E 1 59 ? 10.733 16.134 111.049 1.00 23.45 ? ? ? ? ? ? 58 LEU E CD2 1 +ATOM 8385 N N . SER E 1 60 ? 10.258 11.312 109.693 1.00 27.62 ? ? ? ? ? ? 59 SER E N 1 +ATOM 8386 C CA . SER E 1 60 ? 9.831 10.809 108.368 1.00 31.37 ? ? ? ? ? ? 59 SER E CA 1 +ATOM 8387 C C . SER E 1 60 ? 8.996 9.517 108.475 1.00 31.89 ? ? ? ? ? ? 59 SER E C 1 +ATOM 8388 O O . SER E 1 60 ? 8.089 9.285 107.694 1.00 33.80 ? ? ? ? ? ? 59 SER E O 1 +ATOM 8389 C CB . SER E 1 60 ? 11.012 10.625 107.425 1.00 29.70 ? ? ? ? ? ? 59 SER E CB 1 +ATOM 8390 O OG . SER E 1 60 ? 11.863 9.612 107.902 1.00 38.73 ? ? ? ? ? ? 59 SER E OG 1 +ATOM 8391 N N . ARG E 1 61 ? 9.307 8.703 109.469 1.00 31.80 ? ? ? ? ? ? 60 ARG E N 1 +ATOM 8392 C CA . ARG E 1 61 ? 8.643 7.435 109.658 1.00 31.96 ? ? ? ? ? ? 60 ARG E CA 1 +ATOM 8393 C C . ARG E 1 61 ? 7.284 7.476 110.362 1.00 31.75 ? ? ? ? ? ? 60 ARG E C 1 +ATOM 8394 O O . ARG E 1 61 ? 6.415 6.726 109.994 1.00 32.59 ? ? ? ? ? ? 60 ARG E O 1 +ATOM 8395 C CB . ARG E 1 61 ? 9.522 6.515 110.455 1.00 30.82 ? ? ? ? ? ? 60 ARG E CB 1 +ATOM 8396 C CG . ARG E 1 61 ? 8.947 5.130 110.588 1.00 34.27 ? ? ? ? ? ? 60 ARG E CG 1 +ATOM 8397 C CD . ARG E 1 61 ? 9.998 4.139 110.936 1.00 36.40 ? ? ? ? ? ? 60 ARG E CD 1 +ATOM 8398 N NE . ARG E 1 61 ? 10.329 4.182 112.345 1.00 33.44 ? ? ? ? ? ? 60 ARG E NE 1 +ATOM 8399 C CZ . ARG E 1 61 ? 11.284 3.447 112.887 1.00 32.71 ? ? ? ? ? ? 60 ARG E CZ 1 +ATOM 8400 N NH1 . ARG E 1 61 ? 11.997 2.614 112.142 1.00 35.45 ? ? ? ? ? ? 60 ARG E NH1 1 +ATOM 8401 N NH2 . ARG E 1 61 ? 11.522 3.530 114.183 1.00 38.01 ? ? ? ? ? ? 60 ARG E NH2 1 +ATOM 8402 N N . SER E 1 62 ? 7.115 8.325 111.377 1.00 30.75 ? ? ? ? ? ? 61 SER E N 1 +ATOM 8403 C CA A SER E 1 62 ? 5.898 8.350 112.181 0.50 27.74 ? ? ? ? ? ? 61 SER E CA 1 +ATOM 8404 C CA B SER E 1 62 ? 5.875 8.355 112.144 0.50 28.56 ? ? ? ? ? ? 61 SER E CA 1 +ATOM 8405 C C . SER E 1 62 ? 5.337 9.754 112.394 1.00 29.19 ? ? ? ? ? ? 61 SER E C 1 +ATOM 8406 O O . SER E 1 62 ? 4.293 9.893 113.003 1.00 28.82 ? ? ? ? ? ? 61 SER E O 1 +ATOM 8407 C CB A SER E 1 62 ? 6.152 7.706 113.551 0.50 27.44 ? ? ? ? ? ? 61 SER E CB 1 +ATOM 8408 C CB B SER E 1 62 ? 6.068 7.658 113.487 0.50 28.21 ? ? ? ? ? ? 61 SER E CB 1 +ATOM 8409 O OG A SER E 1 62 ? 6.851 6.472 113.454 0.50 21.02 ? ? ? ? ? ? 61 SER E OG 1 +ATOM 8410 O OG B SER E 1 62 ? 6.457 8.594 114.476 0.50 28.47 ? ? ? ? ? ? 61 SER E OG 1 +ATOM 8411 N N . GLY E 1 63 ? 6.028 10.796 111.918 1.00 28.33 ? ? ? ? ? ? 62 GLY E N 1 +ATOM 8412 C CA . GLY E 1 63 ? 5.586 12.185 112.169 1.00 28.20 ? ? ? ? ? ? 62 GLY E CA 1 +ATOM 8413 C C . GLY E 1 63 ? 5.797 12.669 113.610 1.00 28.00 ? ? ? ? ? ? 62 GLY E C 1 +ATOM 8414 O O . GLY E 1 63 ? 5.173 13.626 114.044 1.00 29.49 ? ? ? ? ? ? 62 GLY E O 1 +ATOM 8415 N N . VAL E 1 64 ? 6.692 12.006 114.336 1.00 27.52 ? ? ? ? ? ? 63 VAL E N 1 +ATOM 8416 C CA . VAL E 1 64 ? 7.049 12.385 115.703 1.00 25.95 ? ? ? ? ? ? 63 VAL E CA 1 +ATOM 8417 C C . VAL E 1 64 ? 8.215 13.342 115.587 1.00 25.02 ? ? ? ? ? ? 63 VAL E C 1 +ATOM 8418 O O . VAL E 1 64 ? 9.244 12.995 115.020 1.00 24.18 ? ? ? ? ? ? 63 VAL E O 1 +ATOM 8419 C CB . VAL E 1 64 ? 7.408 11.132 116.605 1.00 25.23 ? ? ? ? ? ? 63 VAL E CB 1 +ATOM 8420 C CG1 . VAL E 1 64 ? 8.034 11.538 117.907 1.00 19.64 ? ? ? ? ? ? 63 VAL E CG1 1 +ATOM 8421 C CG2 . VAL E 1 64 ? 6.156 10.312 116.879 1.00 25.71 ? ? ? ? ? ? 63 VAL E CG2 1 +ATOM 8422 N N . ARG E 1 65 ? 8.057 14.552 116.108 1.00 23.99 ? ? ? ? ? ? 64 ARG E N 1 +ATOM 8423 C CA . ARG E 1 65 ? 9.106 15.560 115.964 1.00 23.26 ? ? ? ? ? ? 64 ARG E CA 1 +ATOM 8424 C C . ARG E 1 65 ? 9.871 15.794 117.268 1.00 22.90 ? ? ? ? ? ? 64 ARG E C 1 +ATOM 8425 O O . ARG E 1 65 ? 9.297 16.200 118.290 1.00 22.25 ? ? ? ? ? ? 64 ARG E O 1 +ATOM 8426 C CB . ARG E 1 65 ? 8.520 16.878 115.472 1.00 23.05 ? ? ? ? ? ? 64 ARG E CB 1 +ATOM 8427 C CG . ARG E 1 65 ? 9.591 17.876 115.045 1.00 22.06 ? ? ? ? ? ? 64 ARG E CG 1 +ATOM 8428 C CD . ARG E 1 65 ? 8.984 19.174 114.643 1.00 27.55 ? ? ? ? ? ? 64 ARG E CD 1 +ATOM 8429 N NE . ARG E 1 65 ? 8.370 19.084 113.330 1.00 25.86 ? ? ? ? ? ? 64 ARG E NE 1 +ATOM 8430 C CZ . ARG E 1 65 ? 7.060 19.041 113.093 1.00 30.73 ? ? ? ? ? ? 64 ARG E CZ 1 +ATOM 8431 N NH1 . ARG E 1 65 ? 6.176 19.064 114.080 1.00 30.26 ? ? ? ? ? ? 64 ARG E NH1 1 +ATOM 8432 N NH2 . ARG E 1 65 ? 6.631 18.970 111.843 1.00 28.17 ? ? ? ? ? ? 64 ARG E NH2 1 +ATOM 8433 N N . CYS E 1 66 ? 11.169 15.548 117.209 1.00 22.39 ? ? ? ? ? ? 65 CYS E N 1 +ATOM 8434 C CA . CYS E 1 66 ? 12.064 15.675 118.356 1.00 23.09 ? ? ? ? ? ? 65 CYS E CA 1 +ATOM 8435 C C . CYS E 1 66 ? 13.063 16.807 118.106 1.00 22.67 ? ? ? ? ? ? 65 CYS E C 1 +ATOM 8436 O O . CYS E 1 66 ? 13.504 16.988 116.963 1.00 23.20 ? ? ? ? ? ? 65 CYS E O 1 +ATOM 8437 C CB . CYS E 1 66 ? 12.812 14.361 118.558 1.00 22.34 ? ? ? ? ? ? 65 CYS E CB 1 +ATOM 8438 S SG . CYS E 1 66 ? 11.646 12.984 118.783 1.00 26.05 ? ? ? ? ? ? 65 CYS E SG 1 +ATOM 8439 N N . MSE E 1 67 ? 13.424 17.554 119.161 1.00 20.44 ? ? ? ? ? ? 66 MSE E N 1 +ATOM 8440 C CA . MSE E 1 67 ? 14.505 18.538 119.068 1.00 18.89 ? ? ? ? ? ? 66 MSE E CA 1 +ATOM 8441 C C . MSE E 1 67 ? 15.727 17.990 119.734 1.00 18.54 ? ? ? ? ? ? 66 MSE E C 1 +ATOM 8442 O O . MSE E 1 67 ? 15.664 17.587 120.875 1.00 18.11 ? ? ? ? ? ? 66 MSE E O 1 +ATOM 8443 C CB . MSE E 1 67 ? 14.131 19.887 119.745 1.00 18.89 ? ? ? ? ? ? 66 MSE E CB 1 +ATOM 8444 C CG . MSE E 1 67 ? 15.234 20.969 119.688 1.00 18.86 ? ? ? ? ? ? 66 MSE E CG 1 +ATOM 8445 SE SE . MSE E 1 67 ? 15.776 21.300 117.828 0.75 19.68 ? ? ? ? ? ? 66 MSE E SE 1 +ATOM 8446 C CE . MSE E 1 67 ? 14.472 22.629 117.303 1.00 13.82 ? ? ? ? ? ? 66 MSE E CE 1 +ATOM 8447 N N . VAL E 1 68 ? 16.863 18.049 119.036 1.00 18.83 ? ? ? ? ? ? 67 VAL E N 1 +ATOM 8448 C CA . VAL E 1 68 ? 18.166 17.719 119.603 1.00 17.22 ? ? ? ? ? ? 67 VAL E CA 1 +ATOM 8449 C C . VAL E 1 68 ? 18.850 19.004 120.051 1.00 18.79 ? ? ? ? ? ? 67 VAL E C 1 +ATOM 8450 O O . VAL E 1 68 ? 19.214 19.873 119.245 1.00 18.35 ? ? ? ? ? ? 67 VAL E O 1 +ATOM 8451 C CB . VAL E 1 68 ? 19.074 16.933 118.629 1.00 17.49 ? ? ? ? ? ? 67 VAL E CB 1 +ATOM 8452 C CG1 . VAL E 1 68 ? 20.287 16.423 119.367 1.00 15.10 ? ? ? ? ? ? 67 VAL E CG1 1 +ATOM 8453 C CG2 . VAL E 1 68 ? 18.292 15.785 117.965 1.00 11.28 ? ? ? ? ? ? 67 VAL E CG2 1 +ATOM 8454 N N . MSE E 1 69 ? 19.046 19.088 121.367 1.00 18.68 ? ? ? ? ? ? 68 MSE E N 1 +ATOM 8455 C CA . MSE E 1 69 ? 19.635 20.216 122.013 1.00 18.23 ? ? ? ? ? ? 68 MSE E CA 1 +ATOM 8456 C C . MSE E 1 69 ? 21.140 20.215 121.756 1.00 19.06 ? ? ? ? ? ? 68 MSE E C 1 +ATOM 8457 O O . MSE E 1 69 ? 21.707 19.223 121.288 1.00 19.06 ? ? ? ? ? ? 68 MSE E O 1 +ATOM 8458 C CB . MSE E 1 69 ? 19.330 20.150 123.516 1.00 18.35 ? ? ? ? ? ? 68 MSE E CB 1 +ATOM 8459 C CG . MSE E 1 69 ? 17.868 20.205 123.857 1.00 18.68 ? ? ? ? ? ? 68 MSE E CG 1 +ATOM 8460 SE SE . MSE E 1 69 ? 17.059 21.901 123.498 0.75 16.95 ? ? ? ? ? ? 68 MSE E SE 1 +ATOM 8461 C CE . MSE E 1 69 ? 18.069 23.034 124.793 1.00 19.51 ? ? ? ? ? ? 68 MSE E CE 1 +ATOM 8462 N N . PRO E 1 70 ? 21.793 21.349 122.012 1.00 19.74 ? ? ? ? ? ? 69 PRO E N 1 +ATOM 8463 C CA . PRO E 1 70 ? 23.232 21.375 121.889 1.00 21.52 ? ? ? ? ? ? 69 PRO E CA 1 +ATOM 8464 C C . PRO E 1 70 ? 23.893 20.443 122.914 1.00 22.11 ? ? ? ? ? ? 69 PRO E C 1 +ATOM 8465 O O . PRO E 1 70 ? 23.449 20.367 124.037 1.00 20.80 ? ? ? ? ? ? 69 PRO E O 1 +ATOM 8466 C CB . PRO E 1 70 ? 23.581 22.828 122.225 1.00 23.06 ? ? ? ? ? ? 69 PRO E CB 1 +ATOM 8467 C CG . PRO E 1 70 ? 22.323 23.582 122.018 1.00 21.89 ? ? ? ? ? ? 69 PRO E CG 1 +ATOM 8468 C CD . PRO E 1 70 ? 21.257 22.647 122.433 1.00 19.83 ? ? ? ? ? ? 69 PRO E CD 1 +ATOM 8469 N N . PRO E 1 71 ? 24.976 19.767 122.536 1.00 22.62 ? ? ? ? ? ? 70 PRO E N 1 +ATOM 8470 C CA . PRO E 1 71 ? 25.539 18.781 123.448 1.00 21.94 ? ? ? ? ? ? 70 PRO E CA 1 +ATOM 8471 C C . PRO E 1 71 ? 26.218 19.422 124.653 1.00 21.44 ? ? ? ? ? ? 70 PRO E C 1 +ATOM 8472 O O . PRO E 1 71 ? 26.788 20.493 124.530 1.00 22.67 ? ? ? ? ? ? 70 PRO E O 1 +ATOM 8473 C CB . PRO E 1 71 ? 26.578 18.039 122.582 1.00 22.41 ? ? ? ? ? ? 70 PRO E CB 1 +ATOM 8474 C CG . PRO E 1 71 ? 26.398 18.563 121.197 1.00 24.51 ? ? ? ? ? ? 70 PRO E CG 1 +ATOM 8475 C CD . PRO E 1 71 ? 25.748 19.884 121.292 1.00 23.74 ? ? ? ? ? ? 70 PRO E CD 1 +ATOM 8476 N N . VAL E 1 72 ? 26.147 18.759 125.799 1.00 20.65 ? ? ? ? ? ? 71 VAL E N 1 +ATOM 8477 C CA . VAL E 1 72 ? 26.806 19.212 127.031 1.00 18.40 ? ? ? ? ? ? 71 VAL E CA 1 +ATOM 8478 C C . VAL E 1 72 ? 28.259 18.657 127.074 1.00 17.14 ? ? ? ? ? ? 71 VAL E C 1 +ATOM 8479 O O . VAL E 1 72 ? 28.473 17.454 127.067 1.00 16.81 ? ? ? ? ? ? 71 VAL E O 1 +ATOM 8480 C CB . VAL E 1 72 ? 25.996 18.764 128.275 1.00 17.98 ? ? ? ? ? ? 71 VAL E CB 1 +ATOM 8481 C CG1 . VAL E 1 72 ? 26.587 19.310 129.515 1.00 13.03 ? ? ? ? ? ? 71 VAL E CG1 1 +ATOM 8482 C CG2 . VAL E 1 72 ? 24.539 19.233 128.158 1.00 14.82 ? ? ? ? ? ? 71 VAL E CG2 1 +ATOM 8483 N N . PRO E 1 73 ? 29.255 19.557 127.082 1.00 17.36 ? ? ? ? ? ? 72 PRO E N 1 +ATOM 8484 C CA . PRO E 1 73 ? 30.644 19.141 127.005 1.00 18.01 ? ? ? ? ? ? 72 PRO E CA 1 +ATOM 8485 C C . PRO E 1 73 ? 31.305 18.879 128.362 1.00 18.30 ? ? ? ? ? ? 72 PRO E C 1 +ATOM 8486 O O . PRO E 1 73 ? 32.521 18.913 128.460 1.00 21.43 ? ? ? ? ? ? 72 PRO E O 1 +ATOM 8487 C CB . PRO E 1 73 ? 31.309 20.340 126.302 1.00 19.84 ? ? ? ? ? ? 72 PRO E CB 1 +ATOM 8488 C CG . PRO E 1 73 ? 30.581 21.531 126.876 1.00 19.97 ? ? ? ? ? ? 72 PRO E CG 1 +ATOM 8489 C CD . PRO E 1 73 ? 29.138 21.041 127.088 1.00 18.88 ? ? ? ? ? ? 72 PRO E CD 1 +ATOM 8490 N N . PHE E 1 74 ? 30.514 18.584 129.390 1.00 17.81 ? ? ? ? ? ? 73 PHE E N 1 +ATOM 8491 C CA . PHE E 1 74 ? 31.041 18.494 130.732 1.00 17.12 ? ? ? ? ? ? 73 PHE E CA 1 +ATOM 8492 C C . PHE E 1 74 ? 30.854 17.129 131.308 1.00 17.32 ? ? ? ? ? ? 73 PHE E C 1 +ATOM 8493 O O . PHE E 1 74 ? 29.776 16.788 131.809 1.00 17.73 ? ? ? ? ? ? 73 PHE E O 1 +ATOM 8494 C CB . PHE E 1 74 ? 30.367 19.553 131.598 1.00 19.28 ? ? ? ? ? ? 73 PHE E CB 1 +ATOM 8495 C CG . PHE E 1 74 ? 30.678 20.972 131.170 1.00 20.30 ? ? ? ? ? ? 73 PHE E CG 1 +ATOM 8496 C CD1 . PHE E 1 74 ? 31.953 21.499 131.323 1.00 20.54 ? ? ? ? ? ? 73 PHE E CD1 1 +ATOM 8497 C CD2 . PHE E 1 74 ? 29.687 21.785 130.633 1.00 20.81 ? ? ? ? ? ? 73 PHE E CD2 1 +ATOM 8498 C CE1 . PHE E 1 74 ? 32.234 22.798 130.912 1.00 21.52 ? ? ? ? ? ? 73 PHE E CE1 1 +ATOM 8499 C CE2 . PHE E 1 74 ? 29.977 23.066 130.236 1.00 19.95 ? ? ? ? ? ? 73 PHE E CE2 1 +ATOM 8500 C CZ . PHE E 1 74 ? 31.237 23.563 130.364 1.00 16.10 ? ? ? ? ? ? 73 PHE E CZ 1 +ATOM 8501 N N . GLY E 1 75 ? 31.936 16.351 131.256 1.00 18.03 ? ? ? ? ? ? 74 GLY E N 1 +ATOM 8502 C CA . GLY E 1 75 ? 31.908 14.928 131.603 1.00 17.41 ? ? ? ? ? ? 74 GLY E CA 1 +ATOM 8503 C C . GLY E 1 75 ? 32.620 14.660 132.902 1.00 16.81 ? ? ? ? ? ? 74 GLY E C 1 +ATOM 8504 O O . GLY E 1 75 ? 33.385 15.479 133.361 1.00 16.11 ? ? ? ? ? ? 74 GLY E O 1 +ATOM 8505 N N . ALA E 1 76 ? 32.340 13.506 133.498 1.00 17.04 ? ? ? ? ? ? 75 ALA E N 1 +ATOM 8506 C CA . ALA E 1 76 ? 33.032 13.056 134.730 1.00 16.98 ? ? ? ? ? ? 75 ALA E CA 1 +ATOM 8507 C C . ALA E 1 76 ? 34.197 12.167 134.380 1.00 18.11 ? ? ? ? ? ? 75 ALA E C 1 +ATOM 8508 O O . ALA E 1 76 ? 34.042 11.170 133.663 1.00 19.93 ? ? ? ? ? ? 75 ALA E O 1 +ATOM 8509 C CB . ALA E 1 76 ? 32.090 12.325 135.642 1.00 14.90 ? ? ? ? ? ? 75 ALA E CB 1 +ATOM 8510 N N . HIS E 1 77 ? 35.369 12.498 134.917 1.00 19.58 ? ? ? ? ? ? 76 HIS E N 1 +ATOM 8511 C CA . HIS E 1 77 ? 36.605 11.809 134.550 1.00 19.18 ? ? ? ? ? ? 76 HIS E CA 1 +ATOM 8512 C C . HIS E 1 77 ? 37.329 11.112 135.706 1.00 20.51 ? ? ? ? ? ? 76 HIS E C 1 +ATOM 8513 O O . HIS E 1 77 ? 36.912 11.200 136.876 1.00 20.36 ? ? ? ? ? ? 76 HIS E O 1 +ATOM 8514 C CB . HIS E 1 77 ? 37.495 12.801 133.825 1.00 21.09 ? ? ? ? ? ? 76 HIS E CB 1 +ATOM 8515 C CG . HIS E 1 77 ? 36.886 13.267 132.558 1.00 19.37 ? ? ? ? ? ? 76 HIS E CG 1 +ATOM 8516 N ND1 . HIS E 1 77 ? 36.687 12.428 131.489 1.00 21.72 ? ? ? ? ? ? 76 HIS E ND1 1 +ATOM 8517 C CD2 . HIS E 1 77 ? 36.317 14.440 132.227 1.00 24.73 ? ? ? ? ? ? 76 HIS E CD2 1 +ATOM 8518 C CE1 . HIS E 1 77 ? 36.033 13.070 130.546 1.00 23.54 ? ? ? ? ? ? 76 HIS E CE1 1 +ATOM 8519 N NE2 . HIS E 1 77 ? 35.798 14.295 130.971 1.00 19.44 ? ? ? ? ? ? 76 HIS E NE2 1 +ATOM 8520 N N . ASN E 1 78 ? 38.382 10.381 135.354 1.00 20.27 ? ? ? ? ? ? 77 ASN E N 1 +ATOM 8521 C CA . ASN E 1 78 ? 39.090 9.498 136.251 1.00 20.72 ? ? ? ? ? ? 77 ASN E CA 1 +ATOM 8522 C C . ASN E 1 78 ? 40.396 10.108 136.701 1.00 22.00 ? ? ? ? ? ? 77 ASN E C 1 +ATOM 8523 O O . ASN E 1 78 ? 40.888 11.039 136.064 1.00 21.65 ? ? ? ? ? ? 77 ASN E O 1 +ATOM 8524 C CB . ASN E 1 78 ? 39.384 8.146 135.576 1.00 20.98 ? ? ? ? ? ? 77 ASN E CB 1 +ATOM 8525 C CG . ASN E 1 78 ? 38.144 7.311 135.408 1.00 24.05 ? ? ? ? ? ? 77 ASN E CG 1 +ATOM 8526 O OD1 . ASN E 1 78 ? 37.060 7.863 135.310 1.00 27.25 ? ? ? ? ? ? 77 ASN E OD1 1 +ATOM 8527 N ND2 . ASN E 1 78 ? 38.290 5.983 135.364 1.00 19.05 ? ? ? ? ? ? 77 ASN E ND2 1 +ATOM 8528 N N . PRO E 1 79 ? 40.981 9.550 137.792 1.00 22.82 ? ? ? ? ? ? 78 PRO E N 1 +ATOM 8529 C CA . PRO E 1 79 ? 42.339 9.928 138.178 1.00 23.08 ? ? ? ? ? ? 78 PRO E CA 1 +ATOM 8530 C C . PRO E 1 79 ? 43.283 9.741 136.971 1.00 23.07 ? ? ? ? ? ? 78 PRO E C 1 +ATOM 8531 O O . PRO E 1 79 ? 43.105 8.801 136.179 1.00 22.93 ? ? ? ? ? ? 78 PRO E O 1 +ATOM 8532 C CB . PRO E 1 79 ? 42.680 8.960 139.313 1.00 21.39 ? ? ? ? ? ? 78 PRO E CB 1 +ATOM 8533 C CG . PRO E 1 79 ? 41.327 8.517 139.848 1.00 23.49 ? ? ? ? ? ? 78 PRO E CG 1 +ATOM 8534 C CD . PRO E 1 79 ? 40.415 8.504 138.659 1.00 20.10 ? ? ? ? ? ? 78 PRO E CD 1 +ATOM 8535 N N . GLY E 1 80 ? 44.230 10.656 136.808 1.00 22.26 ? ? ? ? ? ? 79 GLY E N 1 +ATOM 8536 C CA . GLY E 1 80 ? 45.122 10.662 135.647 1.00 23.17 ? ? ? ? ? ? 79 GLY E CA 1 +ATOM 8537 C C . GLY E 1 80 ? 44.682 11.397 134.383 1.00 23.74 ? ? ? ? ? ? 79 GLY E C 1 +ATOM 8538 O O . GLY E 1 80 ? 45.524 11.759 133.562 1.00 26.20 ? ? ? ? ? ? 79 GLY E O 1 +ATOM 8539 N N . GLN E 1 81 ? 43.378 11.595 134.202 1.00 23.30 ? ? ? ? ? ? 80 GLN E N 1 +ATOM 8540 C CA . GLN E 1 81 ? 42.814 12.280 133.040 1.00 23.44 ? ? ? ? ? ? 80 GLN E CA 1 +ATOM 8541 C C . GLN E 1 81 ? 42.814 13.788 133.194 1.00 24.48 ? ? ? ? ? ? 80 GLN E C 1 +ATOM 8542 O O . GLN E 1 81 ? 43.029 14.515 132.235 1.00 24.50 ? ? ? ? ? ? 80 GLN E O 1 +ATOM 8543 C CB . GLN E 1 81 ? 41.369 11.855 132.828 1.00 22.31 ? ? ? ? ? ? 80 GLN E CB 1 +ATOM 8544 C CG . GLN E 1 81 ? 41.204 10.403 132.497 1.00 21.35 ? ? ? ? ? ? 80 GLN E CG 1 +ATOM 8545 C CD . GLN E 1 81 ? 39.917 10.123 131.788 1.00 24.16 ? ? ? ? ? ? 80 GLN E CD 1 +ATOM 8546 O OE1 . GLN E 1 81 ? 38.848 10.082 132.403 1.00 23.27 ? ? ? ? ? ? 80 GLN E OE1 1 +ATOM 8547 N NE2 . GLN E 1 81 ? 39.999 9.944 130.474 1.00 21.57 ? ? ? ? ? ? 80 GLN E NE2 1 +ATOM 8548 N N . ARG E 1 82 ? 42.537 14.264 134.398 1.00 24.32 ? ? ? ? ? ? 81 ARG E N 1 +ATOM 8549 C CA . ARG E 1 82 ? 42.440 15.711 134.635 1.00 26.36 ? ? ? ? ? ? 81 ARG E CA 1 +ATOM 8550 C C . ARG E 1 82 ? 43.753 16.407 134.341 1.00 26.42 ? ? ? ? ? ? 81 ARG E C 1 +ATOM 8551 O O . ARG E 1 82 ? 43.748 17.581 133.947 1.00 27.75 ? ? ? ? ? ? 81 ARG E O 1 +ATOM 8552 C CB . ARG E 1 82 ? 42.004 15.972 136.086 1.00 27.38 ? ? ? ? ? ? 81 ARG E CB 1 +ATOM 8553 C CG . ARG E 1 82 ? 41.538 17.361 136.399 1.00 28.99 ? ? ? ? ? ? 81 ARG E CG 1 +ATOM 8554 C CD . ARG E 1 82 ? 41.067 17.499 137.829 1.00 27.69 ? ? ? ? ? ? 81 ARG E CD 1 +ATOM 8555 N NE . ARG E 1 82 ? 42.099 17.081 138.789 1.00 34.52 ? ? ? ? ? ? 81 ARG E NE 1 +ATOM 8556 C CZ . ARG E 1 82 ? 42.104 17.410 140.081 1.00 36.88 ? ? ? ? ? ? 81 ARG E CZ 1 +ATOM 8557 N NH1 . ARG E 1 82 ? 41.142 18.166 140.595 1.00 32.17 ? ? ? ? ? ? 81 ARG E NH1 1 +ATOM 8558 N NH2 . ARG E 1 82 ? 43.083 16.983 140.872 1.00 38.47 ? ? ? ? ? ? 81 ARG E NH2 1 +ATOM 8559 N N . GLU E 1 83 ? 44.870 15.691 134.521 1.00 27.15 ? ? ? ? ? ? 82 GLU E N 1 +ATOM 8560 C CA . GLU E 1 83 ? 46.204 16.243 134.288 1.00 29.78 ? ? ? ? ? ? 82 GLU E CA 1 +ATOM 8561 C C . GLU E 1 83 ? 46.576 16.322 132.803 1.00 26.85 ? ? ? ? ? ? 82 GLU E C 1 +ATOM 8562 O O . GLU E 1 83 ? 47.478 17.057 132.451 1.00 26.48 ? ? ? ? ? ? 82 GLU E O 1 +ATOM 8563 C CB . GLU E 1 83 ? 47.275 15.471 135.082 1.00 30.41 ? ? ? ? ? ? 82 GLU E CB 1 +ATOM 8564 C CG . GLU E 1 83 ? 47.596 14.066 134.542 1.00 39.23 ? ? ? ? ? ? 82 GLU E CG 1 +ATOM 8565 C CD . GLU E 1 83 ? 48.307 13.119 135.559 1.00 40.26 ? ? ? ? ? ? 82 GLU E CD 1 +ATOM 8566 O OE1 . GLU E 1 83 ? 47.898 13.046 136.756 1.00 54.00 ? ? ? ? ? ? 82 GLU E OE1 1 +ATOM 8567 O OE2 . GLU E 1 83 ? 49.269 12.419 135.127 1.00 51.64 ? ? ? ? ? ? 82 GLU E OE2 1 +ATOM 8568 N N . LEU E 1 84 ? 45.886 15.591 131.936 1.00 25.09 ? ? ? ? ? ? 83 LEU E N 1 +ATOM 8569 C CA . LEU E 1 84 ? 46.086 15.710 130.494 1.00 24.19 ? ? ? ? ? ? 83 LEU E CA 1 +ATOM 8570 C C . LEU E 1 84 ? 45.571 17.062 130.023 1.00 23.39 ? ? ? ? ? ? 83 LEU E C 1 +ATOM 8571 O O . LEU E 1 84 ? 44.551 17.538 130.510 1.00 21.59 ? ? ? ? ? ? 83 LEU E O 1 +ATOM 8572 C CB . LEU E 1 84 ? 45.344 14.572 129.747 1.00 25.77 ? ? ? ? ? ? 83 LEU E CB 1 +ATOM 8573 C CG . LEU E 1 84 ? 45.724 13.137 130.114 1.00 25.35 ? ? ? ? ? ? 83 LEU E CG 1 +ATOM 8574 C CD1 . LEU E 1 84 ? 44.770 12.092 129.527 1.00 22.32 ? ? ? ? ? ? 83 LEU E CD1 1 +ATOM 8575 C CD2 . LEU E 1 84 ? 47.136 12.865 129.659 1.00 26.03 ? ? ? ? ? ? 83 LEU E CD2 1 +ATOM 8576 N N . PRO E 1 85 ? 46.281 17.712 129.095 1.00 23.33 ? ? ? ? ? ? 84 PRO E N 1 +ATOM 8577 C CA . PRO E 1 85 ? 45.878 19.061 128.725 1.00 22.52 ? ? ? ? ? ? 84 PRO E CA 1 +ATOM 8578 C C . PRO E 1 85 ? 44.451 19.175 128.120 1.00 21.56 ? ? ? ? ? ? 84 PRO E C 1 +ATOM 8579 O O . PRO E 1 85 ? 44.093 18.452 127.201 1.00 20.97 ? ? ? ? ? ? 84 PRO E O 1 +ATOM 8580 C CB . PRO E 1 85 ? 46.953 19.493 127.739 1.00 23.38 ? ? ? ? ? ? 84 PRO E CB 1 +ATOM 8581 C CG . PRO E 1 85 ? 47.636 18.233 127.300 1.00 28.10 ? ? ? ? ? ? 84 PRO E CG 1 +ATOM 8582 C CD . PRO E 1 85 ? 47.503 17.272 128.400 1.00 25.37 ? ? ? ? ? ? 84 PRO E CD 1 +ATOM 8583 N N . PHE E 1 86 ? 43.662 20.090 128.687 1.00 21.16 ? ? ? ? ? ? 85 PHE E N 1 +ATOM 8584 C CA . PHE E 1 86 ? 42.325 20.457 128.209 1.00 20.65 ? ? ? ? ? ? 85 PHE E CA 1 +ATOM 8585 C C . PHE E 1 86 ? 41.236 19.414 128.493 1.00 20.59 ? ? ? ? ? ? 85 PHE E C 1 +ATOM 8586 O O . PHE E 1 86 ? 40.122 19.521 128.010 1.00 21.85 ? ? ? ? ? ? 85 PHE E O 1 +ATOM 8587 C CB . PHE E 1 86 ? 42.350 20.866 126.739 1.00 21.76 ? ? ? ? ? ? 85 PHE E CB 1 +ATOM 8588 C CG . PHE E 1 86 ? 43.519 21.731 126.378 1.00 22.23 ? ? ? ? ? ? 85 PHE E CG 1 +ATOM 8589 C CD1 . PHE E 1 86 ? 43.678 22.969 126.965 1.00 20.74 ? ? ? ? ? ? 85 PHE E CD1 1 +ATOM 8590 C CD2 . PHE E 1 86 ? 44.471 21.282 125.470 1.00 21.37 ? ? ? ? ? ? 85 PHE E CD2 1 +ATOM 8591 C CE1 . PHE E 1 86 ? 44.767 23.752 126.640 1.00 22.68 ? ? ? ? ? ? 85 PHE E CE1 1 +ATOM 8592 C CE2 . PHE E 1 86 ? 45.557 22.073 125.122 1.00 24.39 ? ? ? ? ? ? 85 PHE E CE2 1 +ATOM 8593 C CZ . PHE E 1 86 ? 45.711 23.295 125.712 1.00 25.28 ? ? ? ? ? ? 85 PHE E CZ 1 +ATOM 8594 N N . CYS E 1 87 ? 41.554 18.442 129.332 1.00 20.85 ? ? ? ? ? ? 86 CYS E N 1 +ATOM 8595 C CA . CYS E 1 87 ? 40.542 17.550 129.859 1.00 21.27 ? ? ? ? ? ? 86 CYS E CA 1 +ATOM 8596 C C . CYS E 1 87 ? 39.858 18.232 131.024 1.00 21.05 ? ? ? ? ? ? 86 CYS E C 1 +ATOM 8597 O O . CYS E 1 87 ? 40.523 18.609 131.987 1.00 22.75 ? ? ? ? ? ? 86 CYS E O 1 +ATOM 8598 C CB . CYS E 1 87 ? 41.175 16.241 130.326 1.00 21.06 ? ? ? ? ? ? 86 CYS E CB 1 +ATOM 8599 S SG . CYS E 1 87 ? 39.974 15.099 131.004 1.00 23.37 ? ? ? ? ? ? 86 CYS E SG 1 +ATOM 8600 N N . ILE E 1 88 ? 38.545 18.393 130.940 1.00 19.28 ? ? ? ? ? ? 87 ILE E N 1 +ATOM 8601 C CA . ILE E 1 88 ? 37.770 19.084 131.997 1.00 19.78 ? ? ? ? ? ? 87 ILE E CA 1 +ATOM 8602 C C . ILE E 1 88 ? 36.967 18.091 132.857 1.00 18.59 ? ? ? ? ? ? 87 ILE E C 1 +ATOM 8603 O O . ILE E 1 88 ? 35.979 17.504 132.405 1.00 18.67 ? ? ? ? ? ? 87 ILE E O 1 +ATOM 8604 C CB . ILE E 1 88 ? 36.804 20.173 131.420 1.00 18.39 ? ? ? ? ? ? 87 ILE E CB 1 +ATOM 8605 C CG1 . ILE E 1 88 ? 37.570 21.172 130.512 1.00 22.17 ? ? ? ? ? ? 87 ILE E CG1 1 +ATOM 8606 C CG2 . ILE E 1 88 ? 36.052 20.905 132.570 1.00 18.16 ? ? ? ? ? ? 87 ILE E CG2 1 +ATOM 8607 C CD1 . ILE E 1 88 ? 38.960 21.680 131.014 1.00 16.70 ? ? ? ? ? ? 87 ILE E CD1 1 +ATOM 8608 N N . HIS E 1 89 ? 37.383 17.919 134.106 1.00 18.48 ? ? ? ? ? ? 88 HIS E N 1 +ATOM 8609 C CA . HIS E 1 89 ? 36.605 17.103 135.031 1.00 18.23 ? ? ? ? ? ? 88 HIS E CA 1 +ATOM 8610 C C . HIS E 1 89 ? 35.447 17.914 135.625 1.00 17.27 ? ? ? ? ? ? 88 HIS E C 1 +ATOM 8611 O O . HIS E 1 89 ? 35.643 19.013 136.115 1.00 17.47 ? ? ? ? ? ? 88 HIS E O 1 +ATOM 8612 C CB . HIS E 1 89 ? 37.465 16.489 136.161 1.00 18.84 ? ? ? ? ? ? 88 HIS E CB 1 +ATOM 8613 C CG . HIS E 1 89 ? 36.634 15.806 137.211 1.00 19.74 ? ? ? ? ? ? 88 HIS E CG 1 +ATOM 8614 N ND1 . HIS E 1 89 ? 35.906 14.663 136.946 1.00 23.29 ? ? ? ? ? ? 88 HIS E ND1 1 +ATOM 8615 C CD2 . HIS E 1 89 ? 36.337 16.156 138.489 1.00 19.23 ? ? ? ? ? ? 88 HIS E CD2 1 +ATOM 8616 C CE1 . HIS E 1 89 ? 35.217 14.324 138.022 1.00 22.11 ? ? ? ? ? ? 88 HIS E CE1 1 +ATOM 8617 N NE2 . HIS E 1 89 ? 35.453 15.219 138.969 1.00 21.89 ? ? ? ? ? ? 88 HIS E NE2 1 +ATOM 8618 N N . THR E 1 90 ? 34.247 17.345 135.574 1.00 17.19 ? ? ? ? ? ? 89 THR E N 1 +ATOM 8619 C CA . THR E 1 90 ? 33.039 17.957 136.071 1.00 17.04 ? ? ? ? ? ? 89 THR E CA 1 +ATOM 8620 C C . THR E 1 90 ? 32.520 17.144 137.250 1.00 16.96 ? ? ? ? ? ? 89 THR E C 1 +ATOM 8621 O O . THR E 1 90 ? 32.197 15.948 137.102 1.00 17.23 ? ? ? ? ? ? 89 THR E O 1 +ATOM 8622 C CB . THR E 1 90 ? 31.900 17.998 134.966 1.00 16.92 ? ? ? ? ? ? 89 THR E CB 1 +ATOM 8623 O OG1 . THR E 1 90 ? 32.451 18.508 133.752 1.00 19.39 ? ? ? ? ? ? 89 THR E OG1 1 +ATOM 8624 C CG2 . THR E 1 90 ? 30.755 18.892 135.357 1.00 12.31 ? ? ? ? ? ? 89 THR E CG2 1 +ATOM 8625 N N . ARG E 1 91 ? 32.384 17.814 138.402 1.00 14.88 ? ? ? ? ? ? 90 ARG E N 1 +ATOM 8626 C CA . ARG E 1 91 ? 31.781 17.209 139.562 1.00 15.46 ? ? ? ? ? ? 90 ARG E CA 1 +ATOM 8627 C C . ARG E 1 91 ? 30.342 16.848 139.266 1.00 16.74 ? ? ? ? ? ? 90 ARG E C 1 +ATOM 8628 O O . ARG E 1 91 ? 29.683 17.492 138.464 1.00 15.79 ? ? ? ? ? ? 90 ARG E O 1 +ATOM 8629 C CB . ARG E 1 91 ? 31.845 18.159 140.758 1.00 16.10 ? ? ? ? ? ? 90 ARG E CB 1 +ATOM 8630 C CG . ARG E 1 91 ? 33.250 18.481 141.238 1.00 16.77 ? ? ? ? ? ? 90 ARG E CG 1 +ATOM 8631 C CD . ARG E 1 91 ? 33.282 19.596 142.309 1.00 17.78 ? ? ? ? ? ? 90 ARG E CD 1 +ATOM 8632 N NE . ARG E 1 91 ? 33.026 20.897 141.707 1.00 25.03 ? ? ? ? ? ? 90 ARG E NE 1 +ATOM 8633 C CZ . ARG E 1 91 ? 32.763 22.039 142.369 1.00 26.17 ? ? ? ? ? ? 90 ARG E CZ 1 +ATOM 8634 N NH1 . ARG E 1 91 ? 32.705 22.089 143.685 1.00 29.31 ? ? ? ? ? ? 90 ARG E NH1 1 +ATOM 8635 N NH2 . ARG E 1 91 ? 32.556 23.165 141.697 1.00 25.88 ? ? ? ? ? ? 90 ARG E NH2 1 +ATOM 8636 N N . TYR E 1 92 ? 29.864 15.808 139.948 1.00 17.58 ? ? ? ? ? ? 91 TYR E N 1 +ATOM 8637 C CA . TYR E 1 92 ? 28.500 15.339 139.854 1.00 17.16 ? ? ? ? ? ? 91 TYR E CA 1 +ATOM 8638 C C . TYR E 1 92 ? 27.521 16.453 140.153 1.00 15.42 ? ? ? ? ? ? 91 TYR E C 1 +ATOM 8639 O O . TYR E 1 92 ? 26.540 16.607 139.426 1.00 17.06 ? ? ? ? ? ? 91 TYR E O 1 +ATOM 8640 C CB . TYR E 1 92 ? 28.246 14.168 140.841 1.00 18.15 ? ? ? ? ? ? 91 TYR E CB 1 +ATOM 8641 C CG . TYR E 1 92 ? 26.927 13.445 140.598 1.00 18.69 ? ? ? ? ? ? 91 TYR E CG 1 +ATOM 8642 C CD1 . TYR E 1 92 ? 25.715 13.957 141.051 1.00 18.65 ? ? ? ? ? ? 91 TYR E CD1 1 +ATOM 8643 C CD2 . TYR E 1 92 ? 26.914 12.247 139.907 1.00 22.66 ? ? ? ? ? ? 91 TYR E CD2 1 +ATOM 8644 C CE1 . TYR E 1 92 ? 24.504 13.272 140.796 1.00 20.61 ? ? ? ? ? ? 91 TYR E CE1 1 +ATOM 8645 C CE2 . TYR E 1 92 ? 25.743 11.571 139.646 1.00 22.71 ? ? ? ? ? ? 91 TYR E CE2 1 +ATOM 8646 C CZ . TYR E 1 92 ? 24.538 12.066 140.097 1.00 23.55 ? ? ? ? ? ? 91 TYR E CZ 1 +ATOM 8647 O OH . TYR E 1 92 ? 23.407 11.315 139.793 1.00 28.96 ? ? ? ? ? ? 91 TYR E OH 1 +ATOM 8648 N N . ALA E 1 93 ? 27.775 17.210 141.235 1.00 16.48 ? ? ? ? ? ? 92 ALA E N 1 +ATOM 8649 C CA . ALA E 1 93 ? 26.897 18.326 141.617 1.00 15.83 ? ? ? ? ? ? 92 ALA E CA 1 +ATOM 8650 C C . ALA E 1 93 ? 26.804 19.395 140.508 1.00 15.31 ? ? ? ? ? ? 92 ALA E C 1 +ATOM 8651 O O . ALA E 1 93 ? 25.750 19.984 140.304 1.00 15.64 ? ? ? ? ? ? 92 ALA E O 1 +ATOM 8652 C CB . ALA E 1 93 ? 27.320 18.965 142.989 1.00 15.09 ? ? ? ? ? ? 92 ALA E CB 1 +ATOM 8653 N N . THR E 1 94 ? 27.895 19.617 139.785 1.00 15.48 ? ? ? ? ? ? 93 THR E N 1 +ATOM 8654 C CA . THR E 1 94 ? 27.917 20.577 138.663 1.00 14.81 ? ? ? ? ? ? 93 THR E CA 1 +ATOM 8655 C C . THR E 1 94 ? 27.022 20.064 137.538 1.00 15.59 ? ? ? ? ? ? 93 THR E C 1 +ATOM 8656 O O . THR E 1 94 ? 26.167 20.797 137.013 1.00 15.66 ? ? ? ? ? ? 93 THR E O 1 +ATOM 8657 C CB . THR E 1 94 ? 29.351 20.811 138.122 1.00 14.33 ? ? ? ? ? ? 93 THR E CB 1 +ATOM 8658 O OG1 . THR E 1 94 ? 30.190 21.219 139.202 1.00 12.59 ? ? ? ? ? ? 93 THR E OG1 1 +ATOM 8659 C CG2 . THR E 1 94 ? 29.364 21.897 137.003 1.00 14.47 ? ? ? ? ? ? 93 THR E CG2 1 +ATOM 8660 N N . GLN E 1 95 ? 27.195 18.790 137.203 1.00 16.67 ? ? ? ? ? ? 94 GLN E N 1 +ATOM 8661 C CA . GLN E 1 95 ? 26.349 18.153 136.204 1.00 15.78 ? ? ? ? ? ? 94 GLN E CA 1 +ATOM 8662 C C . GLN E 1 95 ? 24.849 18.195 136.594 1.00 15.56 ? ? ? ? ? ? 94 GLN E C 1 +ATOM 8663 O O . GLN E 1 95 ? 23.967 18.452 135.744 1.00 15.25 ? ? ? ? ? ? 94 GLN E O 1 +ATOM 8664 C CB . GLN E 1 95 ? 26.774 16.729 135.963 1.00 14.95 ? ? ? ? ? ? 94 GLN E CB 1 +ATOM 8665 C CG . GLN E 1 95 ? 28.206 16.521 135.484 1.00 17.50 ? ? ? ? ? ? 94 GLN E CG 1 +ATOM 8666 C CD . GLN E 1 95 ? 28.440 15.084 135.144 1.00 15.66 ? ? ? ? ? ? 94 GLN E CD 1 +ATOM 8667 O OE1 . GLN E 1 95 ? 28.193 14.193 135.968 1.00 16.95 ? ? ? ? ? ? 94 GLN E OE1 1 +ATOM 8668 N NE2 . GLN E 1 95 ? 28.925 14.828 133.915 1.00 16.74 ? ? ? ? ? ? 94 GLN E NE2 1 +ATOM 8669 N N . GLN E 1 96 ? 24.571 17.921 137.868 1.00 16.73 ? ? ? ? ? ? 95 GLN E N 1 +ATOM 8670 C CA . GLN E 1 96 ? 23.200 17.970 138.357 1.00 16.66 ? ? ? ? ? ? 95 GLN E CA 1 +ATOM 8671 C C . GLN E 1 96 ? 22.642 19.387 138.290 1.00 15.54 ? ? ? ? ? ? 95 GLN E C 1 +ATOM 8672 O O . GLN E 1 96 ? 21.461 19.574 137.958 1.00 16.90 ? ? ? ? ? ? 95 GLN E O 1 +ATOM 8673 C CB . GLN E 1 96 ? 23.094 17.417 139.773 1.00 16.36 ? ? ? ? ? ? 95 GLN E CB 1 +ATOM 8674 C CG . GLN E 1 96 ? 21.647 17.267 140.250 1.00 21.36 ? ? ? ? ? ? 95 GLN E CG 1 +ATOM 8675 C CD . GLN E 1 96 ? 21.542 16.721 141.658 1.00 26.61 ? ? ? ? ? ? 95 GLN E CD 1 +ATOM 8676 O OE1 . GLN E 1 96 ? 22.128 15.679 141.992 1.00 33.56 ? ? ? ? ? ? 95 GLN E OE1 1 +ATOM 8677 N NE2 . GLN E 1 96 ? 20.793 17.426 142.495 1.00 38.54 ? ? ? ? ? ? 95 GLN E NE2 1 +ATOM 8678 N N . ALA E 1 97 ? 23.458 20.387 138.605 1.00 15.58 ? ? ? ? ? ? 96 ALA E N 1 +ATOM 8679 C CA . ALA E 1 97 ? 22.997 21.768 138.523 1.00 15.50 ? ? ? ? ? ? 96 ALA E CA 1 +ATOM 8680 C C . ALA E 1 97 ? 22.603 22.081 137.083 1.00 16.37 ? ? ? ? ? ? 96 ALA E C 1 +ATOM 8681 O O . ALA E 1 97 ? 21.581 22.728 136.832 1.00 14.49 ? ? ? ? ? ? 96 ALA E O 1 +ATOM 8682 C CB . ALA E 1 97 ? 24.083 22.764 139.002 1.00 14.42 ? ? ? ? ? ? 96 ALA E CB 1 +ATOM 8683 N N . ILE E 1 98 ? 23.422 21.624 136.135 1.00 15.91 ? ? ? ? ? ? 97 ILE E N 1 +ATOM 8684 C CA . ILE E 1 98 ? 23.140 21.834 134.697 1.00 14.53 ? ? ? ? ? ? 97 ILE E CA 1 +ATOM 8685 C C . ILE E 1 98 ? 21.845 21.183 134.237 1.00 15.77 ? ? ? ? ? ? 97 ILE E C 1 +ATOM 8686 O O . ILE E 1 98 ? 21.030 21.821 133.592 1.00 15.85 ? ? ? ? ? ? 97 ILE E O 1 +ATOM 8687 C CB . ILE E 1 98 ? 24.305 21.332 133.786 1.00 13.81 ? ? ? ? ? ? 97 ILE E CB 1 +ATOM 8688 C CG1 . ILE E 1 98 ? 25.555 22.221 133.966 1.00 17.95 ? ? ? ? ? ? 97 ILE E CG1 1 +ATOM 8689 C CG2 . ILE E 1 98 ? 23.807 21.255 132.275 1.00 17.08 ? ? ? ? ? ? 97 ILE E CG2 1 +ATOM 8690 C CD1 . ILE E 1 98 ? 26.916 21.607 133.497 1.00 11.20 ? ? ? ? ? ? 97 ILE E CD1 1 +ATOM 8691 N N . LEU E 1 99 ? 21.652 19.902 134.578 1.00 16.52 ? ? ? ? ? ? 98 LEU E N 1 +ATOM 8692 C CA . LEU E 1 99 ? 20.443 19.181 134.184 1.00 16.60 ? ? ? ? ? ? 98 LEU E CA 1 +ATOM 8693 C C . LEU E 1 99 ? 19.222 19.837 134.809 1.00 17.17 ? ? ? ? ? ? 98 LEU E C 1 +ATOM 8694 O O . LEU E 1 99 ? 18.202 19.979 134.139 1.00 18.09 ? ? ? ? ? ? 98 LEU E O 1 +ATOM 8695 C CB . LEU E 1 99 ? 20.513 17.679 134.559 1.00 15.99 ? ? ? ? ? ? 98 LEU E CB 1 +ATOM 8696 C CG . LEU E 1 99 ? 19.327 16.814 134.126 1.00 16.14 ? ? ? ? ? ? 98 LEU E CG 1 +ATOM 8697 C CD1 . LEU E 1 99 ? 19.092 16.909 132.582 1.00 12.08 ? ? ? ? ? ? 98 LEU E CD1 1 +ATOM 8698 C CD2 . LEU E 1 99 ? 19.478 15.377 134.575 1.00 14.80 ? ? ? ? ? ? 98 LEU E CD2 1 +ATOM 8699 N N . GLU E 1 100 ? 19.334 20.249 136.071 1.00 18.03 ? ? ? ? ? ? 99 GLU E N 1 +ATOM 8700 C CA . GLU E 1 100 ? 18.277 20.996 136.755 1.00 18.30 ? ? ? ? ? ? 99 GLU E CA 1 +ATOM 8701 C C . GLU E 1 100 ? 17.868 22.245 136.031 1.00 17.75 ? ? ? ? ? ? 99 GLU E C 1 +ATOM 8702 O O . GLU E 1 100 ? 16.685 22.553 135.924 1.00 17.47 ? ? ? ? ? ? 99 GLU E O 1 +ATOM 8703 C CB . GLU E 1 100 ? 18.704 21.402 138.163 1.00 17.16 ? ? ? ? ? ? 99 GLU E CB 1 +ATOM 8704 C CG . GLU E 1 100 ? 18.770 20.263 139.147 1.00 20.16 ? ? ? ? ? ? 99 GLU E CG 1 +ATOM 8705 C CD . GLU E 1 100 ? 19.297 20.680 140.546 1.00 23.38 ? ? ? ? ? ? 99 GLU E CD 1 +ATOM 8706 O OE1 . GLU E 1 100 ? 19.830 21.805 140.723 1.00 20.31 ? ? ? ? ? ? 99 GLU E OE1 1 +ATOM 8707 O OE2 . GLU E 1 100 ? 19.145 19.864 141.477 1.00 27.99 ? ? ? ? ? ? 99 GLU E OE2 1 +ATOM 8708 N N . ASP E 1 101 ? 18.839 23.007 135.577 1.00 16.49 ? ? ? ? ? ? 100 ASP E N 1 +ATOM 8709 C CA . ASP E 1 101 ? 18.525 24.226 134.857 1.00 17.03 ? ? ? ? ? ? 100 ASP E CA 1 +ATOM 8710 C C . ASP E 1 101 ? 17.846 23.937 133.498 1.00 17.72 ? ? ? ? ? ? 100 ASP E C 1 +ATOM 8711 O O . ASP E 1 101 ? 16.901 24.621 133.121 1.00 18.31 ? ? ? ? ? ? 100 ASP E O 1 +ATOM 8712 C CB . ASP E 1 101 ? 19.799 25.083 134.705 1.00 17.45 ? ? ? ? ? ? 100 ASP E CB 1 +ATOM 8713 C CG . ASP E 1 101 ? 20.159 25.802 135.998 1.00 21.75 ? ? ? ? ? ? 100 ASP E CG 1 +ATOM 8714 O OD1 . ASP E 1 101 ? 19.295 25.870 136.910 1.00 20.63 ? ? ? ? ? ? 100 ASP E OD1 1 +ATOM 8715 O OD2 . ASP E 1 101 ? 21.305 26.267 136.131 1.00 20.19 ? ? ? ? ? ? 100 ASP E OD2 1 +ATOM 8716 N N . ILE E 1 102 ? 18.297 22.882 132.814 1.00 17.80 ? ? ? ? ? ? 101 ILE E N 1 +ATOM 8717 C CA . ILE E 1 102 ? 17.720 22.473 131.548 1.00 16.12 ? ? ? ? ? ? 101 ILE E CA 1 +ATOM 8718 C C . ILE E 1 102 ? 16.285 22.003 131.737 1.00 16.83 ? ? ? ? ? ? 101 ILE E C 1 +ATOM 8719 O O . ILE E 1 102 ? 15.404 22.436 130.996 1.00 17.53 ? ? ? ? ? ? 101 ILE E O 1 +ATOM 8720 C CB . ILE E 1 102 ? 18.548 21.346 130.878 1.00 14.87 ? ? ? ? ? ? 101 ILE E CB 1 +ATOM 8721 C CG1 . ILE E 1 102 ? 19.936 21.837 130.459 1.00 17.64 ? ? ? ? ? ? 101 ILE E CG1 1 +ATOM 8722 C CG2 . ILE E 1 102 ? 17.813 20.732 129.695 1.00 12.77 ? ? ? ? ? ? 101 ILE E CG2 1 +ATOM 8723 C CD1 . ILE E 1 102 ? 20.847 20.698 130.142 1.00 12.18 ? ? ? ? ? ? 101 ILE E CD1 1 +ATOM 8724 N N . VAL E 1 103 ? 16.053 21.121 132.711 1.00 17.03 ? ? ? ? ? ? 102 VAL E N 1 +ATOM 8725 C CA . VAL E 1 103 ? 14.725 20.578 132.950 1.00 17.05 ? ? ? ? ? ? 102 VAL E CA 1 +ATOM 8726 C C . VAL E 1 103 ? 13.759 21.682 133.413 1.00 18.18 ? ? ? ? ? ? 102 VAL E C 1 +ATOM 8727 O O . VAL E 1 103 ? 12.626 21.734 132.980 1.00 18.72 ? ? ? ? ? ? 102 VAL E O 1 +ATOM 8728 C CB . VAL E 1 103 ? 14.757 19.378 133.926 1.00 18.80 ? ? ? ? ? ? 102 VAL E CB 1 +ATOM 8729 C CG1 . VAL E 1 103 ? 13.378 19.004 134.336 1.00 14.79 ? ? ? ? ? ? 102 VAL E CG1 1 +ATOM 8730 C CG2 . VAL E 1 103 ? 15.478 18.145 133.273 1.00 14.92 ? ? ? ? ? ? 102 VAL E CG2 1 +ATOM 8731 N N . SER E 1 104 ? 14.213 22.577 134.283 1.00 17.40 ? ? ? ? ? ? 103 SER E N 1 +ATOM 8732 C CA . SER E 1 104 ? 13.383 23.715 134.727 1.00 18.72 ? ? ? ? ? ? 103 SER E CA 1 +ATOM 8733 C C . SER E 1 104 ? 12.826 24.534 133.545 1.00 18.33 ? ? ? ? ? ? 103 SER E C 1 +ATOM 8734 O O . SER E 1 104 ? 11.616 24.786 133.459 1.00 19.62 ? ? ? ? ? ? 103 SER E O 1 +ATOM 8735 C CB . SER E 1 104 ? 14.235 24.623 135.625 1.00 18.32 ? ? ? ? ? ? 103 SER E CB 1 +ATOM 8736 O OG . SER E 1 104 ? 13.475 25.710 136.084 1.00 29.24 ? ? ? ? ? ? 103 SER E OG 1 +ATOM 8737 N N . SER E 1 105 ? 13.726 24.923 132.637 1.00 18.05 ? ? ? ? ? ? 104 SER E N 1 +ATOM 8738 C CA . SER E 1 105 ? 13.411 25.699 131.445 1.00 18.11 ? ? ? ? ? ? 104 SER E CA 1 +ATOM 8739 C C . SER E 1 105 ? 12.518 24.917 130.494 1.00 17.22 ? ? ? ? ? ? 104 SER E C 1 +ATOM 8740 O O . SER E 1 105 ? 11.485 25.417 130.074 1.00 18.01 ? ? ? ? ? ? 104 SER E O 1 +ATOM 8741 C CB . SER E 1 105 ? 14.697 26.155 130.733 1.00 19.65 ? ? ? ? ? ? 104 SER E CB 1 +ATOM 8742 O OG . SER E 1 105 ? 15.309 27.225 131.415 1.00 18.66 ? ? ? ? ? ? 104 SER E OG 1 +ATOM 8743 N N . LEU E 1 106 ? 12.871 23.678 130.189 1.00 17.71 ? ? ? ? ? ? 105 LEU E N 1 +ATOM 8744 C CA . LEU E 1 106 ? 12.020 22.852 129.304 1.00 17.51 ? ? ? ? ? ? 105 LEU E CA 1 +ATOM 8745 C C . LEU E 1 106 ? 10.644 22.670 129.876 1.00 18.85 ? ? ? ? ? ? 105 LEU E C 1 +ATOM 8746 O O . LEU E 1 106 ? 9.651 22.660 129.139 1.00 19.07 ? ? ? ? ? ? 105 LEU E O 1 +ATOM 8747 C CB . LEU E 1 106 ? 12.649 21.491 129.018 1.00 17.30 ? ? ? ? ? ? 105 LEU E CB 1 +ATOM 8748 C CG . LEU E 1 106 ? 13.932 21.495 128.184 1.00 19.55 ? ? ? ? ? ? 105 LEU E CG 1 +ATOM 8749 C CD1 . LEU E 1 106 ? 14.525 20.095 128.184 1.00 17.39 ? ? ? ? ? ? 105 LEU E CD1 1 +ATOM 8750 C CD2 . LEU E 1 106 ? 13.667 21.986 126.783 1.00 18.81 ? ? ? ? ? ? 105 LEU E CD2 1 +ATOM 8751 N N . HIS E 1 107 ? 10.563 22.549 131.200 1.00 19.19 ? ? ? ? ? ? 106 HIS E N 1 +ATOM 8752 C CA . HIS E 1 107 ? 9.296 22.362 131.832 1.00 21.05 ? ? ? ? ? ? 106 HIS E CA 1 +ATOM 8753 C C . HIS E 1 107 ? 8.397 23.580 131.708 1.00 20.79 ? ? ? ? ? ? 106 HIS E C 1 +ATOM 8754 O O . HIS E 1 107 ? 7.222 23.437 131.444 1.00 22.64 ? ? ? ? ? ? 106 HIS E O 1 +ATOM 8755 C CB . HIS E 1 107 ? 9.497 22.003 133.300 1.00 22.17 ? ? ? ? ? ? 106 HIS E CB 1 +ATOM 8756 C CG . HIS E 1 107 ? 8.249 21.541 133.966 1.00 21.95 ? ? ? ? ? ? 106 HIS E CG 1 +ATOM 8757 N ND1 . HIS E 1 107 ? 7.363 22.415 134.547 1.00 24.59 ? ? ? ? ? ? 106 HIS E ND1 1 +ATOM 8758 C CD2 . HIS E 1 107 ? 7.720 20.305 134.112 1.00 24.32 ? ? ? ? ? ? 106 HIS E CD2 1 +ATOM 8759 C CE1 . HIS E 1 107 ? 6.349 21.731 135.045 1.00 29.58 ? ? ? ? ? ? 106 HIS E CE1 1 +ATOM 8760 N NE2 . HIS E 1 107 ? 6.527 20.453 134.773 1.00 21.68 ? ? ? ? ? ? 106 HIS E NE2 1 +ATOM 8761 N N . VAL E 1 108 ? 8.961 24.770 131.906 1.00 21.66 ? ? ? ? ? ? 107 VAL E N 1 +ATOM 8762 C CA . VAL E 1 108 ? 8.248 26.029 131.747 1.00 21.80 ? ? ? ? ? ? 107 VAL E CA 1 +ATOM 8763 C C . VAL E 1 108 ? 7.740 26.124 130.320 1.00 22.12 ? ? ? ? ? ? 107 VAL E C 1 +ATOM 8764 O O . VAL E 1 108 ? 6.646 26.558 130.091 1.00 22.06 ? ? ? ? ? ? 107 VAL E O 1 +ATOM 8765 C CB . VAL E 1 108 ? 9.113 27.290 132.084 1.00 18.94 ? ? ? ? ? ? 107 VAL E CB 1 +ATOM 8766 C CG1 . VAL E 1 108 ? 8.418 28.537 131.655 1.00 26.23 ? ? ? ? ? ? 107 VAL E CG1 1 +ATOM 8767 C CG2 . VAL E 1 108 ? 9.393 27.362 133.555 1.00 27.85 ? ? ? ? ? ? 107 VAL E CG2 1 +ATOM 8768 N N . GLN E 1 109 ? 8.542 25.659 129.371 1.00 21.88 ? ? ? ? ? ? 108 GLN E N 1 +ATOM 8769 C CA . GLN E 1 109 ? 8.177 25.698 127.956 1.00 21.42 ? ? ? ? ? ? 108 GLN E CA 1 +ATOM 8770 C C . GLN E 1 109 ? 7.085 24.709 127.573 1.00 22.98 ? ? ? ? ? ? 108 GLN E C 1 +ATOM 8771 O O . GLN E 1 109 ? 6.624 24.757 126.466 1.00 23.01 ? ? ? ? ? ? 108 GLN E O 1 +ATOM 8772 C CB . GLN E 1 109 ? 9.421 25.455 127.092 1.00 21.69 ? ? ? ? ? ? 108 GLN E CB 1 +ATOM 8773 C CG . GLN E 1 109 ? 10.399 26.569 127.190 1.00 19.30 ? ? ? ? ? ? 108 GLN E CG 1 +ATOM 8774 C CD . GLN E 1 109 ? 11.825 26.144 126.940 1.00 17.40 ? ? ? ? ? ? 108 GLN E CD 1 +ATOM 8775 O OE1 . GLN E 1 109 ? 12.096 25.146 126.291 1.00 21.77 ? ? ? ? ? ? 108 GLN E OE1 1 +ATOM 8776 N NE2 . GLN E 1 109 ? 12.743 26.926 127.443 1.00 15.03 ? ? ? ? ? ? 108 GLN E NE2 1 +ATOM 8777 N N . GLY E 1 110 ? 6.672 23.811 128.478 1.00 22.90 ? ? ? ? ? ? 109 GLY E N 1 +ATOM 8778 C CA . GLY E 1 110 ? 5.582 22.875 128.187 1.00 21.84 ? ? ? ? ? ? 109 GLY E CA 1 +ATOM 8779 C C . GLY E 1 110 ? 6.049 21.470 127.868 1.00 22.29 ? ? ? ? ? ? 109 GLY E C 1 +ATOM 8780 O O . GLY E 1 110 ? 5.230 20.580 127.709 1.00 21.69 ? ? ? ? ? ? 109 GLY E O 1 +ATOM 8781 N N . PHE E 1 111 ? 7.367 21.249 127.808 1.00 21.00 ? ? ? ? ? ? 110 PHE E N 1 +ATOM 8782 C CA . PHE E 1 111 ? 7.890 19.953 127.476 1.00 19.49 ? ? ? ? ? ? 110 PHE E CA 1 +ATOM 8783 C C . PHE E 1 111 ? 7.828 19.030 128.650 1.00 20.19 ? ? ? ? ? ? 110 PHE E C 1 +ATOM 8784 O O . PHE E 1 111 ? 7.908 19.469 129.779 1.00 20.29 ? ? ? ? ? ? 110 PHE E O 1 +ATOM 8785 C CB . PHE E 1 111 ? 9.316 20.061 126.900 1.00 19.79 ? ? ? ? ? ? 110 PHE E CB 1 +ATOM 8786 C CG . PHE E 1 111 ? 9.366 20.874 125.657 1.00 16.57 ? ? ? ? ? ? 110 PHE E CG 1 +ATOM 8787 C CD1 . PHE E 1 111 ? 8.716 20.428 124.514 1.00 20.84 ? ? ? ? ? ? 110 PHE E CD1 1 +ATOM 8788 C CD2 . PHE E 1 111 ? 9.987 22.103 125.640 1.00 18.43 ? ? ? ? ? ? 110 PHE E CD2 1 +ATOM 8789 C CE1 . PHE E 1 111 ? 8.725 21.186 123.350 1.00 23.54 ? ? ? ? ? ? 110 PHE E CE1 1 +ATOM 8790 C CE2 . PHE E 1 111 ? 9.999 22.892 124.496 1.00 19.01 ? ? ? ? ? ? 110 PHE E CE2 1 +ATOM 8791 C CZ . PHE E 1 111 ? 9.367 22.438 123.350 1.00 23.82 ? ? ? ? ? ? 110 PHE E CZ 1 +ATOM 8792 N N . ARG E 1 112 ? 7.660 17.742 128.357 1.00 19.32 ? ? ? ? ? ? 111 ARG E N 1 +ATOM 8793 C CA . ARG E 1 112 ? 7.385 16.752 129.376 1.00 21.24 ? ? ? ? ? ? 111 ARG E CA 1 +ATOM 8794 C C . ARG E 1 112 ? 8.136 15.448 129.144 1.00 20.48 ? ? ? ? ? ? 111 ARG E C 1 +ATOM 8795 O O . ARG E 1 112 ? 7.995 14.517 129.929 1.00 20.78 ? ? ? ? ? ? 111 ARG E O 1 +ATOM 8796 C CB . ARG E 1 112 ? 5.877 16.464 129.443 1.00 21.18 ? ? ? ? ? ? 111 ARG E CB 1 +ATOM 8797 C CG . ARG E 1 112 ? 5.000 17.624 129.932 1.00 19.98 ? ? ? ? ? ? 111 ARG E CG 1 +ATOM 8798 C CD . ARG E 1 112 ? 5.358 18.034 131.334 1.00 21.67 ? ? ? ? ? ? 111 ARG E CD 1 +ATOM 8799 N NE . ARG E 1 112 ? 4.545 19.137 131.826 1.00 23.80 ? ? ? ? ? ? 111 ARG E NE 1 +ATOM 8800 C CZ . ARG E 1 112 ? 4.828 20.434 131.730 1.00 21.52 ? ? ? ? ? ? 111 ARG E CZ 1 +ATOM 8801 N NH1 . ARG E 1 112 ? 5.938 20.889 131.173 1.00 17.43 ? ? ? ? ? ? 111 ARG E NH1 1 +ATOM 8802 N NH2 . ARG E 1 112 ? 3.981 21.299 132.247 1.00 21.56 ? ? ? ? ? ? 111 ARG E NH2 1 +ATOM 8803 N N . LYS E 1 113 ? 8.952 15.383 128.100 1.00 19.69 ? ? ? ? ? ? 112 LYS E N 1 +ATOM 8804 C CA . LYS E 1 113 ? 9.687 14.161 127.739 1.00 20.30 ? ? ? ? ? ? 112 LYS E CA 1 +ATOM 8805 C C . LYS E 1 113 ? 11.106 14.477 127.281 1.00 19.33 ? ? ? ? ? ? 112 LYS E C 1 +ATOM 8806 O O . LYS E 1 113 ? 11.310 15.155 126.307 1.00 18.76 ? ? ? ? ? ? 112 LYS E O 1 +ATOM 8807 C CB . LYS E 1 113 ? 8.963 13.405 126.646 1.00 20.33 ? ? ? ? ? ? 112 LYS E CB 1 +ATOM 8808 C CG . LYS E 1 113 ? 7.680 12.717 127.131 1.00 26.10 ? ? ? ? ? ? 112 LYS E CG 1 +ATOM 8809 C CD . LYS E 1 113 ? 6.643 12.665 126.095 1.00 32.79 ? ? ? ? ? ? 112 LYS E CD 1 +ATOM 8810 C CE . LYS E 1 113 ? 5.376 12.046 126.660 1.00 40.69 ? ? ? ? ? ? 112 LYS E CE 1 +ATOM 8811 N NZ . LYS E 1 113 ? 4.273 12.173 125.669 1.00 43.75 ? ? ? ? ? ? 112 LYS E NZ 1 +ATOM 8812 N N . LEU E 1 114 ? 12.075 13.954 128.008 1.00 19.23 ? ? ? ? ? ? 113 LEU E N 1 +ATOM 8813 C CA . LEU E 1 114 ? 13.489 14.146 127.728 1.00 18.45 ? ? ? ? ? ? 113 LEU E CA 1 +ATOM 8814 C C . LEU E 1 114 ? 14.241 12.807 127.680 1.00 17.96 ? ? ? ? ? ? 113 LEU E C 1 +ATOM 8815 O O . LEU E 1 114 ? 14.053 11.952 128.528 1.00 18.65 ? ? ? ? ? ? 113 LEU E O 1 +ATOM 8816 C CB . LEU E 1 114 ? 14.097 15.053 128.823 1.00 19.57 ? ? ? ? ? ? 113 LEU E CB 1 +ATOM 8817 C CG . LEU E 1 114 ? 15.595 15.382 128.703 1.00 16.62 ? ? ? ? ? ? 113 LEU E CG 1 +ATOM 8818 C CD1 . LEU E 1 114 ? 15.827 16.274 127.438 1.00 13.61 ? ? ? ? ? ? 113 LEU E CD1 1 +ATOM 8819 C CD2 . LEU E 1 114 ? 16.127 16.072 129.996 1.00 17.48 ? ? ? ? ? ? 113 LEU E CD2 1 +ATOM 8820 N N . LEU E 1 115 ? 15.118 12.647 126.694 1.00 17.75 ? ? ? ? ? ? 114 LEU E N 1 +ATOM 8821 C CA . LEU E 1 115 ? 16.075 11.586 126.693 1.00 17.37 ? ? ? ? ? ? 114 LEU E CA 1 +ATOM 8822 C C . LEU E 1 115 ? 17.496 12.158 126.716 1.00 17.45 ? ? ? ? ? ? 114 LEU E C 1 +ATOM 8823 O O . LEU E 1 115 ? 17.857 12.946 125.838 1.00 18.37 ? ? ? ? ? ? 114 LEU E O 1 +ATOM 8824 C CB . LEU E 1 115 ? 15.896 10.703 125.462 1.00 18.83 ? ? ? ? ? ? 114 LEU E CB 1 +ATOM 8825 C CG . LEU E 1 115 ? 17.065 9.739 125.265 1.00 21.01 ? ? ? ? ? ? 114 LEU E CG 1 +ATOM 8826 C CD1 . LEU E 1 115 ? 16.831 8.447 126.059 1.00 14.73 ? ? ? ? ? ? 114 LEU E CD1 1 +ATOM 8827 C CD2 . LEU E 1 115 ? 17.310 9.503 123.808 1.00 19.44 ? ? ? ? ? ? 114 LEU E CD2 1 +ATOM 8828 N N . ILE E 1 116 ? 18.286 11.754 127.714 1.00 17.13 ? ? ? ? ? ? 115 ILE E N 1 +ATOM 8829 C CA . ILE E 1 116 ? 19.724 12.099 127.782 1.00 17.53 ? ? ? ? ? ? 115 ILE E CA 1 +ATOM 8830 C C . ILE E 1 116 ? 20.495 11.036 126.990 1.00 18.34 ? ? ? ? ? ? 115 ILE E C 1 +ATOM 8831 O O . ILE E 1 116 ? 20.416 9.827 127.308 1.00 18.12 ? ? ? ? ? ? 115 ILE E O 1 +ATOM 8832 C CB . ILE E 1 116 ? 20.266 12.160 129.229 1.00 16.17 ? ? ? ? ? ? 115 ILE E CB 1 +ATOM 8833 C CG1 . ILE E 1 116 ? 19.403 13.136 130.070 1.00 18.65 ? ? ? ? ? ? 115 ILE E CG1 1 +ATOM 8834 C CG2 . ILE E 1 116 ? 21.799 12.539 129.218 1.00 17.13 ? ? ? ? ? ? 115 ILE E CG2 1 +ATOM 8835 C CD1 . ILE E 1 116 ? 19.612 13.117 131.596 1.00 14.94 ? ? ? ? ? ? 115 ILE E CD1 1 +ATOM 8836 N N . LEU E 1 117 ? 21.184 11.465 125.926 1.00 17.45 ? ? ? ? ? ? 116 LEU E N 1 +ATOM 8837 C CA . LEU E 1 117 ? 21.955 10.538 125.106 1.00 16.71 ? ? ? ? ? ? 116 LEU E CA 1 +ATOM 8838 C C . LEU E 1 117 ? 23.419 10.835 125.289 1.00 17.57 ? ? ? ? ? ? 116 LEU E C 1 +ATOM 8839 O O . LEU E 1 117 ? 23.957 11.845 124.786 1.00 17.52 ? ? ? ? ? ? 116 LEU E O 1 +ATOM 8840 C CB . LEU E 1 117 ? 21.579 10.562 123.626 1.00 16.29 ? ? ? ? ? ? 116 LEU E CB 1 +ATOM 8841 C CG . LEU E 1 117 ? 22.185 9.427 122.767 1.00 18.48 ? ? ? ? ? ? 116 LEU E CG 1 +ATOM 8842 C CD1 . LEU E 1 117 ? 21.727 7.926 123.193 1.00 10.93 ? ? ? ? ? ? 116 LEU E CD1 1 +ATOM 8843 C CD2 . LEU E 1 117 ? 21.903 9.756 121.238 1.00 16.45 ? ? ? ? ? ? 116 LEU E CD2 1 +ATOM 8844 N N . SER E 1 118 ? 24.037 9.957 126.059 1.00 17.78 ? ? ? ? ? ? 117 SER E N 1 +ATOM 8845 C CA . SER E 1 118 ? 25.375 10.147 126.526 1.00 18.40 ? ? ? ? ? ? 117 SER E CA 1 +ATOM 8846 C C . SER E 1 118 ? 26.371 9.509 125.578 1.00 20.00 ? ? ? ? ? ? 117 SER E C 1 +ATOM 8847 O O . SER E 1 118 ? 26.120 8.487 125.008 1.00 20.18 ? ? ? ? ? ? 117 SER E O 1 +ATOM 8848 C CB . SER E 1 118 ? 25.525 9.565 127.907 1.00 16.23 ? ? ? ? ? ? 117 SER E CB 1 +ATOM 8849 O OG . SER E 1 118 ? 26.853 9.769 128.369 1.00 17.99 ? ? ? ? ? ? 117 SER E OG 1 +ATOM 8850 N N . GLY E 1 119 ? 27.485 10.191 125.389 1.00 20.72 ? ? ? ? ? ? 118 GLY E N 1 +ATOM 8851 C CA . GLY E 1 119 ? 28.586 9.706 124.613 1.00 20.63 ? ? ? ? ? ? 118 GLY E CA 1 +ATOM 8852 C C . GLY E 1 119 ? 29.794 9.399 125.469 1.00 19.73 ? ? ? ? ? ? 118 GLY E C 1 +ATOM 8853 O O . GLY E 1 119 ? 30.802 9.011 124.935 1.00 20.44 ? ? ? ? ? ? 118 GLY E O 1 +ATOM 8854 N N . HIS E 1 120 ? 29.649 9.533 126.797 1.00 19.53 ? ? ? ? ? ? 119 HIS E N 1 +ATOM 8855 C CA . HIS E 1 120 ? 30.723 9.305 127.759 1.00 20.98 ? ? ? ? ? ? 119 HIS E CA 1 +ATOM 8856 C C . HIS E 1 120 ? 30.304 8.326 128.869 1.00 22.09 ? ? ? ? ? ? 119 HIS E C 1 +ATOM 8857 O O . HIS E 1 120 ? 29.359 8.569 129.598 1.00 23.57 ? ? ? ? ? ? 119 HIS E O 1 +ATOM 8858 C CB . HIS E 1 120 ? 31.204 10.648 128.327 1.00 19.34 ? ? ? ? ? ? 119 HIS E CB 1 +ATOM 8859 C CG . HIS E 1 120 ? 32.268 10.531 129.367 1.00 19.32 ? ? ? ? ? ? 119 HIS E CG 1 +ATOM 8860 N ND1 . HIS E 1 120 ? 33.462 9.899 129.136 1.00 18.96 ? ? ? ? ? ? 119 HIS E ND1 1 +ATOM 8861 C CD2 . HIS E 1 120 ? 32.322 10.973 130.649 1.00 22.63 ? ? ? ? ? ? 119 HIS E CD2 1 +ATOM 8862 C CE1 . HIS E 1 120 ? 34.203 9.937 130.232 1.00 21.87 ? ? ? ? ? ? 119 HIS E CE1 1 +ATOM 8863 N NE2 . HIS E 1 120 ? 33.530 10.575 131.168 1.00 18.41 ? ? ? ? ? ? 119 HIS E NE2 1 +ATOM 8864 N N . GLY E 1 121 ? 31.027 7.215 128.983 1.00 22.62 ? ? ? ? ? ? 120 GLY E N 1 +ATOM 8865 C CA . GLY E 1 121 ? 30.700 6.178 129.954 1.00 23.05 ? ? ? ? ? ? 120 GLY E CA 1 +ATOM 8866 C C . GLY E 1 121 ? 30.886 6.550 131.416 1.00 23.45 ? ? ? ? ? ? 120 GLY E C 1 +ATOM 8867 O O . GLY E 1 121 ? 30.291 5.929 132.272 1.00 24.57 ? ? ? ? ? ? 120 GLY E O 1 +ATOM 8868 N N . GLY E 1 122 ? 31.730 7.549 131.679 1.00 23.45 ? ? ? ? ? ? 121 GLY E N 1 +ATOM 8869 C CA . GLY E 1 122 ? 31.923 8.129 132.996 1.00 22.82 ? ? ? ? ? ? 121 GLY E CA 1 +ATOM 8870 C C . GLY E 1 122 ? 30.720 8.908 133.503 1.00 22.72 ? ? ? ? ? ? 121 GLY E C 1 +ATOM 8871 O O . GLY E 1 122 ? 30.628 9.177 134.691 1.00 23.02 ? ? ? ? ? ? 121 GLY E O 1 +ATOM 8872 N N . ASN E 1 123 ? 29.802 9.287 132.615 1.00 22.35 ? ? ? ? ? ? 122 ASN E N 1 +ATOM 8873 C CA . ASN E 1 123 ? 28.598 10.001 133.039 1.00 21.80 ? ? ? ? ? ? 122 ASN E CA 1 +ATOM 8874 C C . ASN E 1 123 ? 27.573 8.982 133.558 1.00 22.18 ? ? ? ? ? ? 122 ASN E C 1 +ATOM 8875 O O . ASN E 1 123 ? 27.351 7.944 132.951 1.00 21.51 ? ? ? ? ? ? 122 ASN E O 1 +ATOM 8876 C CB . ASN E 1 123 ? 27.960 10.835 131.918 1.00 22.27 ? ? ? ? ? ? 122 ASN E CB 1 +ATOM 8877 C CG . ASN E 1 123 ? 28.854 11.956 131.403 1.00 21.80 ? ? ? ? ? ? 122 ASN E CG 1 +ATOM 8878 O OD1 . ASN E 1 123 ? 29.722 12.461 132.110 1.00 18.57 ? ? ? ? ? ? 122 ASN E OD1 1 +ATOM 8879 N ND2 . ASN E 1 123 ? 28.630 12.346 130.156 1.00 17.18 ? ? ? ? ? ? 122 ASN E ND2 1 +ATOM 8880 N N . ASN E 1 124 ? 26.980 9.309 134.691 1.00 21.25 ? ? ? ? ? ? 123 ASN E N 1 +ATOM 8881 C CA . ASN E 1 124 ? 25.917 8.532 135.310 1.00 22.59 ? ? ? ? ? ? 123 ASN E CA 1 +ATOM 8882 C C . ASN E 1 124 ? 24.793 9.478 135.661 1.00 20.90 ? ? ? ? ? ? 123 ASN E C 1 +ATOM 8883 O O . ASN E 1 124 ? 25.021 10.468 136.330 1.00 21.64 ? ? ? ? ? ? 123 ASN E O 1 +ATOM 8884 C CB . ASN E 1 124 ? 26.462 7.901 136.573 1.00 24.76 ? ? ? ? ? ? 123 ASN E CB 1 +ATOM 8885 C CG . ASN E 1 124 ? 27.355 6.723 136.283 1.00 32.14 ? ? ? ? ? ? 123 ASN E CG 1 +ATOM 8886 O OD1 . ASN E 1 124 ? 26.865 5.657 135.860 1.00 38.83 ? ? ? ? ? ? 123 ASN E OD1 1 +ATOM 8887 N ND2 . ASN E 1 124 ? 28.682 6.895 136.501 1.00 32.39 ? ? ? ? ? ? 123 ASN E ND2 1 +ATOM 8888 N N . PHE E 1 125 ? 23.589 9.165 135.222 1.00 19.52 ? ? ? ? ? ? 124 PHE E N 1 +ATOM 8889 C CA . PHE E 1 125 ? 22.469 10.054 135.376 1.00 18.91 ? ? ? ? ? ? 124 PHE E CA 1 +ATOM 8890 C C . PHE E 1 125 ? 21.308 9.474 136.214 1.00 18.80 ? ? ? ? ? ? 124 PHE E C 1 +ATOM 8891 O O . PHE E 1 125 ? 20.325 10.155 136.425 1.00 19.22 ? ? ? ? ? ? 124 PHE E O 1 +ATOM 8892 C CB . PHE E 1 125 ? 21.946 10.424 133.989 1.00 19.76 ? ? ? ? ? ? 124 PHE E CB 1 +ATOM 8893 C CG . PHE E 1 125 ? 22.939 11.163 133.150 1.00 17.62 ? ? ? ? ? ? 124 PHE E CG 1 +ATOM 8894 C CD1 . PHE E 1 125 ? 23.189 12.511 133.385 1.00 18.08 ? ? ? ? ? ? 124 PHE E CD1 1 +ATOM 8895 C CD2 . PHE E 1 125 ? 23.608 10.529 132.132 1.00 15.53 ? ? ? ? ? ? 124 PHE E CD2 1 +ATOM 8896 C CE1 . PHE E 1 125 ? 24.107 13.186 132.638 1.00 14.89 ? ? ? ? ? ? 124 PHE E CE1 1 +ATOM 8897 C CE2 . PHE E 1 125 ? 24.517 11.212 131.370 1.00 18.07 ? ? ? ? ? ? 124 PHE E CE2 1 +ATOM 8898 C CZ . PHE E 1 125 ? 24.761 12.534 131.609 1.00 15.02 ? ? ? ? ? ? 124 PHE E CZ 1 +ATOM 8899 N N . LYS E 1 126 ? 21.443 8.256 136.732 1.00 19.23 ? ? ? ? ? ? 125 LYS E N 1 +ATOM 8900 C CA . LYS E 1 126 ? 20.318 7.604 137.409 1.00 18.77 ? ? ? ? ? ? 125 LYS E CA 1 +ATOM 8901 C C . LYS E 1 126 ? 19.919 8.333 138.672 1.00 18.58 ? ? ? ? ? ? 125 LYS E C 1 +ATOM 8902 O O . LYS E 1 126 ? 18.747 8.581 138.895 1.00 20.34 ? ? ? ? ? ? 125 LYS E O 1 +ATOM 8903 C CB . LYS E 1 126 ? 20.648 6.172 137.729 1.00 17.83 ? ? ? ? ? ? 125 LYS E CB 1 +ATOM 8904 C CG . LYS E 1 126 ? 20.948 5.332 136.516 1.00 17.54 ? ? ? ? ? ? 125 LYS E CG 1 +ATOM 8905 C CD . LYS E 1 126 ? 20.867 3.871 136.870 1.00 23.15 ? ? ? ? ? ? 125 LYS E CD 1 +ATOM 8906 C CE . LYS E 1 126 ? 21.268 2.985 135.680 1.00 23.92 ? ? ? ? ? ? 125 LYS E CE 1 +ATOM 8907 N NZ . LYS E 1 126 ? 20.981 1.598 135.948 1.00 31.05 ? ? ? ? ? ? 125 LYS E NZ 1 +ATOM 8908 N N . GLY E 1 127 ? 20.888 8.680 139.498 1.00 17.70 ? ? ? ? ? ? 126 GLY E N 1 +ATOM 8909 C CA . GLY E 1 127 ? 20.626 9.459 140.675 1.00 17.96 ? ? ? ? ? ? 126 GLY E CA 1 +ATOM 8910 C C . GLY E 1 127 ? 19.977 10.805 140.411 1.00 19.54 ? ? ? ? ? ? 126 GLY E C 1 +ATOM 8911 O O . GLY E 1 127 ? 19.044 11.186 141.124 1.00 17.63 ? ? ? ? ? ? 126 GLY E O 1 +ATOM 8912 N N . MSE E 1 128 ? 20.471 11.530 139.395 1.00 19.53 ? ? ? ? ? ? 127 MSE E N 1 +ATOM 8913 C CA . MSE E 1 128 ? 19.900 12.816 138.999 1.00 19.56 ? ? ? ? ? ? 127 MSE E CA 1 +ATOM 8914 C C . MSE E 1 128 ? 18.466 12.636 138.561 1.00 18.17 ? ? ? ? ? ? 127 MSE E C 1 +ATOM 8915 O O . MSE E 1 128 ? 17.592 13.446 138.879 1.00 17.29 ? ? ? ? ? ? 127 MSE E O 1 +ATOM 8916 C CB . MSE E 1 128 ? 20.664 13.438 137.809 1.00 19.47 ? ? ? ? ? ? 127 MSE E CB 1 +ATOM 8917 C CG . MSE E 1 128 ? 22.086 13.529 137.958 1.00 23.37 ? ? ? ? ? ? 127 MSE E CG 1 +ATOM 8918 SE SE . MSE E 1 128 ? 22.952 14.616 136.572 0.75 18.74 ? ? ? ? ? ? 127 MSE E SE 1 +ATOM 8919 C CE . MSE E 1 128 ? 24.716 13.879 136.993 1.00 15.43 ? ? ? ? ? ? 127 MSE E CE 1 +ATOM 8920 N N . ILE E 1 129 ? 18.224 11.577 137.802 1.00 18.54 ? ? ? ? ? ? 128 ILE E N 1 +ATOM 8921 C CA . ILE E 1 129 ? 16.864 11.296 137.313 1.00 18.34 ? ? ? ? ? ? 128 ILE E CA 1 +ATOM 8922 C C . ILE E 1 129 ? 15.883 10.941 138.432 1.00 18.06 ? ? ? ? ? ? 128 ILE E C 1 +ATOM 8923 O O . ILE E 1 129 ? 14.747 11.390 138.420 1.00 18.56 ? ? ? ? ? ? 128 ILE E O 1 +ATOM 8924 C CB . ILE E 1 129 ? 16.895 10.196 136.216 1.00 18.99 ? ? ? ? ? ? 128 ILE E CB 1 +ATOM 8925 C CG1 . ILE E 1 129 ? 17.435 10.788 134.925 1.00 18.65 ? ? ? ? ? ? 128 ILE E CG1 1 +ATOM 8926 C CG2 . ILE E 1 129 ? 15.520 9.594 135.962 1.00 14.16 ? ? ? ? ? ? 128 ILE E CG2 1 +ATOM 8927 C CD1 . ILE E 1 129 ? 17.854 9.715 133.921 1.00 14.87 ? ? ? ? ? ? 128 ILE E CD1 1 +ATOM 8928 N N . ARG E 1 130 ? 16.315 10.153 139.410 1.00 18.48 ? ? ? ? ? ? 129 ARG E N 1 +ATOM 8929 C CA . ARG E 1 130 ? 15.476 9.850 140.579 1.00 18.46 ? ? ? ? ? ? 129 ARG E CA 1 +ATOM 8930 C C . ARG E 1 130 ? 15.124 11.133 141.338 1.00 19.27 ? ? ? ? ? ? 129 ARG E C 1 +ATOM 8931 O O . ARG E 1 130 ? 13.982 11.353 141.701 1.00 20.16 ? ? ? ? ? ? 129 ARG E O 1 +ATOM 8932 C CB . ARG E 1 130 ? 16.187 8.899 141.531 1.00 16.70 ? ? ? ? ? ? 129 ARG E CB 1 +ATOM 8933 C CG . ARG E 1 130 ? 16.280 7.499 141.009 1.00 20.68 ? ? ? ? ? ? 129 ARG E CG 1 +ATOM 8934 C CD . ARG E 1 130 ? 17.041 6.569 141.950 1.00 19.52 ? ? ? ? ? ? 129 ARG E CD 1 +ATOM 8935 N NE . ARG E 1 130 ? 16.684 5.195 141.644 1.00 22.48 ? ? ? ? ? ? 129 ARG E NE 1 +ATOM 8936 C CZ . ARG E 1 130 ? 17.450 4.309 141.013 1.00 17.30 ? ? ? ? ? ? 129 ARG E CZ 1 +ATOM 8937 N NH1 . ARG E 1 130 ? 18.679 4.580 140.641 1.00 24.48 ? ? ? ? ? ? 129 ARG E NH1 1 +ATOM 8938 N NH2 . ARG E 1 130 ? 16.972 3.107 140.800 1.00 21.80 ? ? ? ? ? ? 129 ARG E NH2 1 +ATOM 8939 N N . ASP E 1 131 ? 16.121 11.972 141.595 1.00 18.84 ? ? ? ? ? ? 130 ASP E N 1 +ATOM 8940 C CA . ASP E 1 131 ? 15.874 13.228 142.286 1.00 19.05 ? ? ? ? ? ? 130 ASP E CA 1 +ATOM 8941 C C . ASP E 1 131 ? 14.919 14.162 141.529 1.00 19.54 ? ? ? ? ? ? 130 ASP E C 1 +ATOM 8942 O O . ASP E 1 131 ? 14.040 14.774 142.135 1.00 20.13 ? ? ? ? ? ? 130 ASP E O 1 +ATOM 8943 C CB . ASP E 1 131 ? 17.204 13.892 142.632 1.00 18.49 ? ? ? ? ? ? 130 ASP E CB 1 +ATOM 8944 C CG . ASP E 1 131 ? 17.987 13.101 143.679 1.00 22.21 ? ? ? ? ? ? 130 ASP E CG 1 +ATOM 8945 O OD1 . ASP E 1 131 ? 17.391 12.205 144.314 1.00 22.10 ? ? ? ? ? ? 130 ASP E OD1 1 +ATOM 8946 O OD2 . ASP E 1 131 ? 19.191 13.379 143.893 1.00 22.32 ? ? ? ? ? ? 130 ASP E OD2 1 +ATOM 8947 N N . LEU E 1 132 ? 15.047 14.236 140.210 1.00 19.20 ? ? ? ? ? ? 131 LEU E N 1 +ATOM 8948 C CA . LEU E 1 132 ? 14.143 15.076 139.424 1.00 19.87 ? ? ? ? ? ? 131 LEU E CA 1 +ATOM 8949 C C . LEU E 1 132 ? 12.743 14.486 139.235 1.00 20.38 ? ? ? ? ? ? 131 LEU E C 1 +ATOM 8950 O O . LEU E 1 132 ? 11.797 15.210 138.987 1.00 20.97 ? ? ? ? ? ? 131 LEU E O 1 +ATOM 8951 C CB . LEU E 1 132 ? 14.748 15.412 138.076 1.00 18.23 ? ? ? ? ? ? 131 LEU E CB 1 +ATOM 8952 C CG . LEU E 1 132 ? 15.869 16.437 138.133 1.00 21.02 ? ? ? ? ? ? 131 LEU E CG 1 +ATOM 8953 C CD1 . LEU E 1 132 ? 16.768 16.262 136.899 1.00 21.66 ? ? ? ? ? ? 131 LEU E CD1 1 +ATOM 8954 C CD2 . LEU E 1 132 ? 15.314 17.819 138.216 1.00 14.72 ? ? ? ? ? ? 131 LEU E CD2 1 +ATOM 8955 N N . ALA E 1 133 ? 12.626 13.169 139.341 1.00 21.36 ? ? ? ? ? ? 132 ALA E N 1 +ATOM 8956 C CA . ALA E 1 133 ? 11.335 12.510 139.286 1.00 21.97 ? ? ? ? ? ? 132 ALA E CA 1 +ATOM 8957 C C . ALA E 1 133 ? 10.441 12.997 140.397 1.00 22.04 ? ? ? ? ? ? 132 ALA E C 1 +ATOM 8958 O O . ALA E 1 133 ? 9.264 13.065 140.210 1.00 23.82 ? ? ? ? ? ? 132 ALA E O 1 +ATOM 8959 C CB . ALA E 1 133 ? 11.496 10.985 139.358 1.00 20.13 ? ? ? ? ? ? 132 ALA E CB 1 +ATOM 8960 N N . PHE E 1 134 ? 11.019 13.334 141.548 1.00 24.32 ? ? ? ? ? ? 133 PHE E N 1 +ATOM 8961 C CA . PHE E 1 134 ? 10.274 13.837 142.699 1.00 25.45 ? ? ? ? ? ? 133 PHE E CA 1 +ATOM 8962 C C . PHE E 1 134 ? 9.982 15.321 142.607 1.00 26.40 ? ? ? ? ? ? 133 PHE E C 1 +ATOM 8963 O O . PHE E 1 134 ? 8.907 15.743 142.993 1.00 27.22 ? ? ? ? ? ? 133 PHE E O 1 +ATOM 8964 C CB . PHE E 1 134 ? 10.991 13.472 144.019 1.00 25.93 ? ? ? ? ? ? 133 PHE E CB 1 +ATOM 8965 C CG . PHE E 1 134 ? 11.054 11.968 144.276 1.00 24.69 ? ? ? ? ? ? 133 PHE E CG 1 +ATOM 8966 C CD1 . PHE E 1 134 ? 9.897 11.203 144.318 1.00 27.07 ? ? ? ? ? ? 133 PHE E CD1 1 +ATOM 8967 C CD2 . PHE E 1 134 ? 12.245 11.328 144.441 1.00 23.80 ? ? ? ? ? ? 133 PHE E CD2 1 +ATOM 8968 C CE1 . PHE E 1 134 ? 9.969 9.824 144.523 1.00 25.67 ? ? ? ? ? ? 133 PHE E CE1 1 +ATOM 8969 C CE2 . PHE E 1 134 ? 12.310 9.944 144.655 1.00 23.50 ? ? ? ? ? ? 133 PHE E CE2 1 +ATOM 8970 C CZ . PHE E 1 134 ? 11.190 9.208 144.701 1.00 22.13 ? ? ? ? ? ? 133 PHE E CZ 1 +ATOM 8971 N N . GLU E 1 135 ? 10.924 16.112 142.081 1.00 27.12 ? ? ? ? ? ? 134 GLU E N 1 +ATOM 8972 C CA . GLU E 1 135 ? 10.685 17.546 141.836 1.00 30.21 ? ? ? ? ? ? 134 GLU E CA 1 +ATOM 8973 C C . GLU E 1 135 ? 9.695 17.813 140.707 1.00 26.08 ? ? ? ? ? ? 134 GLU E C 1 +ATOM 8974 O O . GLU E 1 135 ? 8.956 18.789 140.752 1.00 25.11 ? ? ? ? ? ? 134 GLU E O 1 +ATOM 8975 C CB . GLU E 1 135 ? 11.975 18.278 141.448 1.00 29.77 ? ? ? ? ? ? 134 GLU E CB 1 +ATOM 8976 C CG . GLU E 1 135 ? 13.092 18.306 142.484 1.00 40.80 ? ? ? ? ? ? 134 GLU E CG 1 +ATOM 8977 C CD . GLU E 1 135 ? 14.338 19.055 141.949 1.00 43.20 ? ? ? ? ? ? 134 GLU E CD 1 +ATOM 8978 O OE1 . GLU E 1 135 ? 15.417 18.407 141.796 1.00 58.02 ? ? ? ? ? ? 134 GLU E OE1 1 +ATOM 8979 O OE2 . GLU E 1 135 ? 14.227 20.282 141.664 1.00 54.78 ? ? ? ? ? ? 134 GLU E OE2 1 +ATOM 8980 N N . TYR E 1 136 ? 9.768 17.014 139.646 1.00 23.41 ? ? ? ? ? ? 135 TYR E N 1 +ATOM 8981 C CA . TYR E 1 136 ? 8.943 17.216 138.434 1.00 22.27 ? ? ? ? ? ? 135 TYR E CA 1 +ATOM 8982 C C . TYR E 1 136 ? 8.268 15.894 138.114 1.00 22.85 ? ? ? ? ? ? 135 TYR E C 1 +ATOM 8983 O O . TYR E 1 136 ? 8.695 15.175 137.203 1.00 20.75 ? ? ? ? ? ? 135 TYR E O 1 +ATOM 8984 C CB . TYR E 1 136 ? 9.791 17.661 137.229 1.00 19.74 ? ? ? ? ? ? 135 TYR E CB 1 +ATOM 8985 C CG . TYR E 1 136 ? 10.543 18.964 137.419 1.00 21.23 ? ? ? ? ? ? 135 TYR E CG 1 +ATOM 8986 C CD1 . TYR E 1 136 ? 9.941 20.177 137.143 1.00 21.90 ? ? ? ? ? ? 135 TYR E CD1 1 +ATOM 8987 C CD2 . TYR E 1 136 ? 11.864 18.971 137.875 1.00 19.60 ? ? ? ? ? ? 135 TYR E CD2 1 +ATOM 8988 C CE1 . TYR E 1 136 ? 10.619 21.370 137.340 1.00 24.56 ? ? ? ? ? ? 135 TYR E CE1 1 +ATOM 8989 C CE2 . TYR E 1 136 ? 12.557 20.159 138.074 1.00 21.76 ? ? ? ? ? ? 135 TYR E CE2 1 +ATOM 8990 C CZ . TYR E 1 136 ? 11.929 21.359 137.800 1.00 22.63 ? ? ? ? ? ? 135 TYR E CZ 1 +ATOM 8991 O OH . TYR E 1 136 ? 12.602 22.556 137.974 1.00 22.46 ? ? ? ? ? ? 135 TYR E OH 1 +ATOM 8992 N N . PRO E 1 137 ? 7.243 15.527 138.897 1.00 24.87 ? ? ? ? ? ? 136 PRO E N 1 +ATOM 8993 C CA . PRO E 1 137 ? 6.593 14.217 138.741 1.00 25.59 ? ? ? ? ? ? 136 PRO E CA 1 +ATOM 8994 C C . PRO E 1 137 ? 5.982 13.975 137.361 1.00 25.80 ? ? ? ? ? ? 136 PRO E C 1 +ATOM 8995 O O . PRO E 1 137 ? 5.783 12.815 136.973 1.00 26.61 ? ? ? ? ? ? 136 PRO E O 1 +ATOM 8996 C CB . PRO E 1 137 ? 5.497 14.233 139.825 1.00 26.92 ? ? ? ? ? ? 136 PRO E CB 1 +ATOM 8997 C CG . PRO E 1 137 ? 5.355 15.620 140.233 1.00 26.31 ? ? ? ? ? ? 136 PRO E CG 1 +ATOM 8998 C CD . PRO E 1 137 ? 6.643 16.308 139.995 1.00 26.61 ? ? ? ? ? ? 136 PRO E CD 1 +ATOM 8999 N N . ASP E 1 138 ? 5.696 15.064 136.634 1.00 25.39 ? ? ? ? ? ? 137 ASP E N 1 +ATOM 9000 C CA . ASP E 1 138 ? 5.060 14.991 135.314 1.00 25.79 ? ? ? ? ? ? 137 ASP E CA 1 +ATOM 9001 C C . ASP E 1 138 ? 6.050 15.013 134.109 1.00 24.48 ? ? ? ? ? ? 137 ASP E C 1 +ATOM 9002 O O . ASP E 1 138 ? 5.652 15.056 132.945 1.00 23.30 ? ? ? ? ? ? 137 ASP E O 1 +ATOM 9003 C CB . ASP E 1 138 ? 4.033 16.121 135.215 1.00 27.33 ? ? ? ? ? ? 137 ASP E CB 1 +ATOM 9004 C CG . ASP E 1 138 ? 4.657 17.499 135.384 1.00 31.61 ? ? ? ? ? ? 137 ASP E CG 1 +ATOM 9005 O OD1 . ASP E 1 138 ? 5.860 17.603 135.743 1.00 31.86 ? ? ? ? ? ? 137 ASP E OD1 1 +ATOM 9006 O OD2 . ASP E 1 138 ? 3.928 18.492 135.175 1.00 44.23 ? ? ? ? ? ? 137 ASP E OD2 1 +ATOM 9007 N N . PHE E 1 139 ? 7.342 14.956 134.415 1.00 23.01 ? ? ? ? ? ? 138 PHE E N 1 +ATOM 9008 C CA . PHE E 1 139 ? 8.391 15.128 133.430 1.00 21.44 ? ? ? ? ? ? 138 PHE E CA 1 +ATOM 9009 C C . PHE E 1 139 ? 9.177 13.816 133.359 1.00 21.13 ? ? ? ? ? ? 138 PHE E C 1 +ATOM 9010 O O . PHE E 1 139 ? 9.866 13.415 134.316 1.00 21.11 ? ? ? ? ? ? 138 PHE E O 1 +ATOM 9011 C CB . PHE E 1 139 ? 9.273 16.313 133.844 1.00 21.86 ? ? ? ? ? ? 138 PHE E CB 1 +ATOM 9012 C CG . PHE E 1 139 ? 10.157 16.816 132.766 1.00 18.67 ? ? ? ? ? ? 138 PHE E CG 1 +ATOM 9013 C CD1 . PHE E 1 139 ? 11.333 16.177 132.468 1.00 29.83 ? ? ? ? ? ? 138 PHE E CD1 1 +ATOM 9014 C CD2 . PHE E 1 139 ? 9.831 17.945 132.050 1.00 22.81 ? ? ? ? ? ? 138 PHE E CD2 1 +ATOM 9015 C CE1 . PHE E 1 139 ? 12.179 16.658 131.452 1.00 28.93 ? ? ? ? ? ? 138 PHE E CE1 1 +ATOM 9016 C CE2 . PHE E 1 139 ? 10.683 18.434 131.042 1.00 25.73 ? ? ? ? ? ? 138 PHE E CE2 1 +ATOM 9017 C CZ . PHE E 1 139 ? 11.846 17.775 130.741 1.00 18.92 ? ? ? ? ? ? 138 PHE E CZ 1 +ATOM 9018 N N . LEU E 1 140 ? 9.051 13.137 132.226 1.00 21.09 ? ? ? ? ? ? 139 LEU E N 1 +ATOM 9019 C CA . LEU E 1 140 ? 9.731 11.871 131.997 1.00 21.53 ? ? ? ? ? ? 139 LEU E CA 1 +ATOM 9020 C C . LEU E 1 140 ? 11.149 12.133 131.550 1.00 21.16 ? ? ? ? ? ? 139 LEU E C 1 +ATOM 9021 O O . LEU E 1 140 ? 11.329 12.782 130.542 1.00 21.63 ? ? ? ? ? ? 139 LEU E O 1 +ATOM 9022 C CB . LEU E 1 140 ? 9.039 11.106 130.880 1.00 21.34 ? ? ? ? ? ? 139 LEU E CB 1 +ATOM 9023 C CG . LEU E 1 140 ? 9.553 9.709 130.539 1.00 23.22 ? ? ? ? ? ? 139 LEU E CG 1 +ATOM 9024 C CD1 . LEU E 1 140 ? 9.377 8.760 131.730 1.00 19.66 ? ? ? ? ? ? 139 LEU E CD1 1 +ATOM 9025 C CD2 . LEU E 1 140 ? 8.811 9.209 129.328 1.00 22.42 ? ? ? ? ? ? 139 LEU E CD2 1 +ATOM 9026 N N . ILE E 1 141 ? 12.132 11.591 132.266 1.00 19.91 ? ? ? ? ? ? 140 ILE E N 1 +ATOM 9027 C CA . ILE E 1 141 ? 13.514 11.599 131.813 1.00 19.23 ? ? ? ? ? ? 140 ILE E CA 1 +ATOM 9028 C C . ILE E 1 141 ? 14.067 10.180 131.715 1.00 19.17 ? ? ? ? ? ? 140 ILE E C 1 +ATOM 9029 O O . ILE E 1 141 ? 14.032 9.434 132.691 1.00 18.75 ? ? ? ? ? ? 140 ILE E O 1 +ATOM 9030 C CB . ILE E 1 141 ? 14.447 12.416 132.729 1.00 20.61 ? ? ? ? ? ? 140 ILE E CB 1 +ATOM 9031 C CG1 . ILE E 1 141 ? 13.880 13.807 133.018 1.00 18.87 ? ? ? ? ? ? 140 ILE E CG1 1 +ATOM 9032 C CG2 . ILE E 1 141 ? 15.844 12.500 132.112 1.00 16.70 ? ? ? ? ? ? 140 ILE E CG2 1 +ATOM 9033 C CD1 . ILE E 1 141 ? 14.682 14.577 134.042 1.00 16.68 ? ? ? ? ? ? 140 ILE E CD1 1 +ATOM 9034 N N . ALA E 1 142 ? 14.578 9.843 130.520 1.00 19.06 ? ? ? ? ? ? 141 ALA E N 1 +ATOM 9035 C CA . ALA E 1 142 ? 15.253 8.592 130.225 1.00 18.05 ? ? ? ? ? ? 141 ALA E CA 1 +ATOM 9036 C C . ALA E 1 142 ? 16.728 8.881 129.947 1.00 18.22 ? ? ? ? ? ? 141 ALA E C 1 +ATOM 9037 O O . ALA E 1 142 ? 17.089 10.021 129.620 1.00 18.66 ? ? ? ? ? ? 141 ALA E O 1 +ATOM 9038 C CB . ALA E 1 142 ? 14.617 7.900 129.028 1.00 13.60 ? ? ? ? ? ? 141 ALA E CB 1 +ATOM 9039 N N . ALA E 1 143 ? 17.561 7.853 130.063 1.00 17.38 ? ? ? ? ? ? 142 ALA E N 1 +ATOM 9040 C CA . ALA E 1 143 ? 18.982 7.965 129.799 1.00 17.98 ? ? ? ? ? ? 142 ALA E CA 1 +ATOM 9041 C C . ALA E 1 143 ? 19.529 6.705 129.108 1.00 19.11 ? ? ? ? ? ? 142 ALA E C 1 +ATOM 9042 O O . ALA E 1 143 ? 19.129 5.566 129.432 1.00 18.94 ? ? ? ? ? ? 142 ALA E O 1 +ATOM 9043 C CB . ALA E 1 143 ? 19.746 8.254 131.071 1.00 16.32 ? ? ? ? ? ? 142 ALA E CB 1 +ATOM 9044 N N . ALA E 1 144 ? 20.418 6.943 128.132 1.00 19.53 ? ? ? ? ? ? 143 ALA E N 1 +ATOM 9045 C CA . ALA E 1 144 ? 21.151 5.900 127.425 1.00 20.66 ? ? ? ? ? ? 143 ALA E CA 1 +ATOM 9046 C C . ALA E 1 144 ? 22.544 6.353 127.006 1.00 20.31 ? ? ? ? ? ? 143 ALA E C 1 +ATOM 9047 O O . ALA E 1 144 ? 22.764 7.537 126.715 1.00 19.36 ? ? ? ? ? ? 143 ALA E O 1 +ATOM 9048 C CB . ALA E 1 144 ? 20.367 5.412 126.189 1.00 19.68 ? ? ? ? ? ? 143 ALA E CB 1 +ATOM 9049 N N . ASN E 1 145 ? 23.481 5.403 126.975 1.00 20.40 ? ? ? ? ? ? 144 ASN E N 1 +ATOM 9050 C CA . ASN E 1 145 ? 24.701 5.564 126.206 1.00 21.21 ? ? ? ? ? ? 144 ASN E CA 1 +ATOM 9051 C C . ASN E 1 145 ? 24.475 5.067 124.778 1.00 21.10 ? ? ? ? ? ? 144 ASN E C 1 +ATOM 9052 O O . ASN E 1 145 ? 23.970 3.945 124.589 1.00 21.05 ? ? ? ? ? ? 144 ASN E O 1 +ATOM 9053 C CB . ASN E 1 145 ? 25.839 4.784 126.827 1.00 19.51 ? ? ? ? ? ? 144 ASN E CB 1 +ATOM 9054 C CG . ASN E 1 145 ? 26.242 5.317 128.183 1.00 25.23 ? ? ? ? ? ? 144 ASN E CG 1 +ATOM 9055 O OD1 . ASN E 1 145 ? 26.723 6.441 128.307 1.00 25.16 ? ? ? ? ? ? 144 ASN E OD1 1 +ATOM 9056 N ND2 . ASN E 1 145 ? 26.082 4.487 129.215 1.00 23.88 ? ? ? ? ? ? 144 ASN E ND2 1 +ATOM 9057 N N . TRP E 1 146 ? 24.875 5.851 123.772 1.00 19.84 ? ? ? ? ? ? 145 TRP E N 1 +ATOM 9058 C CA . TRP E 1 146 ? 24.553 5.492 122.372 1.00 20.27 ? ? ? ? ? ? 145 TRP E CA 1 +ATOM 9059 C C . TRP E 1 146 ? 25.251 4.175 122.026 1.00 20.73 ? ? ? ? ? ? 145 TRP E C 1 +ATOM 9060 O O . TRP E 1 146 ? 24.752 3.375 121.227 1.00 20.49 ? ? ? ? ? ? 145 TRP E O 1 +ATOM 9061 C CB . TRP E 1 146 ? 24.948 6.585 121.359 1.00 20.47 ? ? ? ? ? ? 145 TRP E CB 1 +ATOM 9062 C CG . TRP E 1 146 ? 26.431 6.776 121.203 1.00 18.56 ? ? ? ? ? ? 145 TRP E CG 1 +ATOM 9063 C CD1 . TRP E 1 146 ? 27.198 7.694 121.845 1.00 19.50 ? ? ? ? ? ? 145 TRP E CD1 1 +ATOM 9064 C CD2 . TRP E 1 146 ? 27.313 6.054 120.335 1.00 21.28 ? ? ? ? ? ? 145 TRP E CD2 1 +ATOM 9065 N NE1 . TRP E 1 146 ? 28.506 7.572 121.462 1.00 21.12 ? ? ? ? ? ? 145 TRP E NE1 1 +ATOM 9066 C CE2 . TRP E 1 146 ? 28.609 6.583 120.528 1.00 18.48 ? ? ? ? ? ? 145 TRP E CE2 1 +ATOM 9067 C CE3 . TRP E 1 146 ? 27.137 5.006 119.414 1.00 18.98 ? ? ? ? ? ? 145 TRP E CE3 1 +ATOM 9068 C CZ2 . TRP E 1 146 ? 29.734 6.097 119.848 1.00 20.14 ? ? ? ? ? ? 145 TRP E CZ2 1 +ATOM 9069 C CZ3 . TRP E 1 146 ? 28.242 4.529 118.737 1.00 19.80 ? ? ? ? ? ? 145 TRP E CZ3 1 +ATOM 9070 C CH2 . TRP E 1 146 ? 29.534 5.073 118.957 1.00 21.65 ? ? ? ? ? ? 145 TRP E CH2 1 +ATOM 9071 N N . PHE E 1 147 ? 26.403 3.960 122.657 1.00 21.43 ? ? ? ? ? ? 146 PHE E N 1 +ATOM 9072 C CA . PHE E 1 147 ? 27.247 2.815 122.352 1.00 21.29 ? ? ? ? ? ? 146 PHE E CA 1 +ATOM 9073 C C . PHE E 1 147 ? 26.829 1.538 123.073 1.00 21.54 ? ? ? ? ? ? 146 PHE E C 1 +ATOM 9074 O O . PHE E 1 147 ? 27.485 0.517 122.941 1.00 23.31 ? ? ? ? ? ? 146 PHE E O 1 +ATOM 9075 C CB . PHE E 1 147 ? 28.701 3.141 122.672 1.00 21.58 ? ? ? ? ? ? 146 PHE E CB 1 +ATOM 9076 C CG . PHE E 1 147 ? 28.915 3.646 124.056 1.00 22.31 ? ? ? ? ? ? 146 PHE E CG 1 +ATOM 9077 C CD1 . PHE E 1 147 ? 29.086 2.768 125.112 1.00 23.89 ? ? ? ? ? ? 146 PHE E CD1 1 +ATOM 9078 C CD2 . PHE E 1 147 ? 28.981 5.023 124.305 1.00 24.37 ? ? ? ? ? ? 146 PHE E CD2 1 +ATOM 9079 C CE1 . PHE E 1 147 ? 29.289 3.249 126.404 1.00 24.01 ? ? ? ? ? ? 146 PHE E CE1 1 +ATOM 9080 C CE2 . PHE E 1 147 ? 29.177 5.514 125.598 1.00 26.44 ? ? ? ? ? ? 146 PHE E CE2 1 +ATOM 9081 C CZ . PHE E 1 147 ? 29.338 4.630 126.649 1.00 27.53 ? ? ? ? ? ? 146 PHE E CZ 1 +ATOM 9082 N N . GLU E 1 148 ? 25.741 1.585 123.825 1.00 21.54 ? ? ? ? ? ? 147 GLU E N 1 +ATOM 9083 C CA . GLU E 1 148 ? 25.213 0.405 124.467 1.00 21.48 ? ? ? ? ? ? 147 GLU E CA 1 +ATOM 9084 C C . GLU E 1 148 ? 23.852 0.016 123.851 1.00 22.28 ? ? ? ? ? ? 147 GLU E C 1 +ATOM 9085 O O . GLU E 1 148 ? 23.241 -0.942 124.290 1.00 23.38 ? ? ? ? ? ? 147 GLU E O 1 +ATOM 9086 C CB . GLU E 1 148 ? 25.070 0.683 125.975 1.00 21.59 ? ? ? ? ? ? 147 GLU E CB 1 +ATOM 9087 C CG . GLU E 1 148 ? 26.394 0.774 126.709 1.00 23.05 ? ? ? ? ? ? 147 GLU E CG 1 +ATOM 9088 C CD . GLU E 1 148 ? 26.234 1.151 128.193 1.00 25.03 ? ? ? ? ? ? 147 GLU E CD 1 +ATOM 9089 O OE1 . GLU E 1 148 ? 25.221 1.788 128.617 1.00 25.89 ? ? ? ? ? ? 147 GLU E OE1 1 +ATOM 9090 O OE2 . GLU E 1 148 ? 27.165 0.828 128.936 1.00 32.22 ? ? ? ? ? ? 147 GLU E OE2 1 +ATOM 9091 N N . VAL E 1 149 ? 23.371 0.765 122.854 1.00 23.12 ? ? ? ? ? ? 148 VAL E N 1 +ATOM 9092 C CA . VAL E 1 149 ? 22.090 0.445 122.224 1.00 22.24 ? ? ? ? ? ? 148 VAL E CA 1 +ATOM 9093 C C . VAL E 1 149 ? 22.192 -0.863 121.411 1.00 23.55 ? ? ? ? ? ? 148 VAL E C 1 +ATOM 9094 O O . VAL E 1 149 ? 21.278 -1.679 121.435 1.00 22.73 ? ? ? ? ? ? 148 VAL E O 1 +ATOM 9095 C CB . VAL E 1 149 ? 21.568 1.600 121.377 1.00 22.75 ? ? ? ? ? ? 148 VAL E CB 1 +ATOM 9096 C CG1 . VAL E 1 149 ? 20.279 1.208 120.687 1.00 18.82 ? ? ? ? ? ? 148 VAL E CG1 1 +ATOM 9097 C CG2 . VAL E 1 149 ? 21.346 2.878 122.257 1.00 19.17 ? ? ? ? ? ? 148 VAL E CG2 1 +ATOM 9098 N N . VAL E 1 150 ? 23.313 -1.049 120.717 1.00 23.47 ? ? ? ? ? ? 149 VAL E N 1 +ATOM 9099 C CA . VAL E 1 150 ? 23.582 -2.238 119.895 1.00 22.84 ? ? ? ? ? ? 149 VAL E CA 1 +ATOM 9100 C C . VAL E 1 150 ? 24.937 -2.795 120.283 1.00 23.92 ? ? ? ? ? ? 149 VAL E C 1 +ATOM 9101 O O . VAL E 1 150 ? 25.898 -2.056 120.397 1.00 23.30 ? ? ? ? ? ? 149 VAL E O 1 +ATOM 9102 C CB . VAL E 1 150 ? 23.543 -1.904 118.371 1.00 22.16 ? ? ? ? ? ? 149 VAL E CB 1 +ATOM 9103 C CG1 . VAL E 1 150 ? 23.910 -3.105 117.515 1.00 22.91 ? ? ? ? ? ? 149 VAL E CG1 1 +ATOM 9104 C CG2 . VAL E 1 150 ? 22.180 -1.418 117.972 1.00 20.93 ? ? ? ? ? ? 149 VAL E CG2 1 +ATOM 9105 N N . SER E 1 151 ? 25.006 -4.097 120.535 1.00 26.41 ? ? ? ? ? ? 150 SER E N 1 +ATOM 9106 C CA . SER E 1 151 ? 26.286 -4.742 120.858 1.00 29.22 ? ? ? ? ? ? 150 SER E CA 1 +ATOM 9107 C C . SER E 1 151 ? 27.262 -4.574 119.699 1.00 29.54 ? ? ? ? ? ? 150 SER E C 1 +ATOM 9108 O O . SER E 1 151 ? 26.842 -4.624 118.549 1.00 29.55 ? ? ? ? ? ? 150 SER E O 1 +ATOM 9109 C CB . SER E 1 151 ? 26.083 -6.247 121.108 1.00 29.37 ? ? ? ? ? ? 150 SER E CB 1 +ATOM 9110 O OG . SER E 1 151 ? 27.327 -6.924 121.105 1.00 32.23 ? ? ? ? ? ? 150 SER E OG 1 +ATOM 9111 N N . PRO E 1 152 ? 28.556 -4.375 119.993 1.00 31.45 ? ? ? ? ? ? 151 PRO E N 1 +ATOM 9112 C CA . PRO E 1 152 ? 29.552 -4.275 118.938 1.00 32.40 ? ? ? ? ? ? 151 PRO E CA 1 +ATOM 9113 C C . PRO E 1 152 ? 29.987 -5.624 118.325 1.00 34.09 ? ? ? ? ? ? 151 PRO E C 1 +ATOM 9114 O O . PRO E 1 152 ? 30.861 -5.637 117.462 1.00 34.04 ? ? ? ? ? ? 151 PRO E O 1 +ATOM 9115 C CB . PRO E 1 152 ? 30.737 -3.638 119.644 1.00 31.27 ? ? ? ? ? ? 151 PRO E CB 1 +ATOM 9116 C CG . PRO E 1 152 ? 30.615 -4.120 121.047 1.00 32.64 ? ? ? ? ? ? 151 PRO E CG 1 +ATOM 9117 C CD . PRO E 1 152 ? 29.154 -4.198 121.328 1.00 31.86 ? ? ? ? ? ? 151 PRO E CD 1 +ATOM 9118 N N . LYS E 1 153 ? 29.414 -6.746 118.771 1.00 31.43 ? ? ? ? ? ? 152 LYS E N 1 +ATOM 9119 C CA . LYS E 1 153 ? 29.741 -8.062 118.205 1.00 30.44 ? ? ? ? ? ? 152 LYS E CA 1 +ATOM 9120 C C . LYS E 1 153 ? 29.283 -8.199 116.743 1.00 28.55 ? ? ? ? ? ? 152 LYS E C 1 +ATOM 9121 O O . LYS E 1 153 ? 28.089 -8.052 116.436 1.00 25.71 ? ? ? ? ? ? 152 LYS E O 1 +ATOM 9122 C CB . LYS E 1 153 ? 29.153 -9.206 119.055 1.00 31.01 ? ? ? ? ? ? 152 LYS E CB 1 +ATOM 9123 C CG . LYS E 1 153 ? 29.695 -10.600 118.650 1.00 35.48 ? ? ? ? ? ? 152 LYS E CG 1 +ATOM 9124 C CD . LYS E 1 153 ? 29.286 -11.714 119.621 1.00 35.96 ? ? ? ? ? ? 152 LYS E CD 1 +ATOM 9125 C CE . LYS E 1 153 ? 29.694 -13.132 119.115 1.00 39.92 ? ? ? ? ? ? 152 LYS E CE 1 +ATOM 9126 N NZ . LYS E 1 153 ? 28.769 -14.224 119.663 1.00 48.53 ? ? ? ? ? ? 152 LYS E NZ 1 +ATOM 9127 N N . GLY E 1 154 ? 30.252 -8.464 115.852 1.00 27.54 ? ? ? ? ? ? 153 GLY E N 1 +ATOM 9128 C CA . GLY E 1 154 ? 30.000 -8.634 114.436 1.00 27.49 ? ? ? ? ? ? 153 GLY E CA 1 +ATOM 9129 C C . GLY E 1 154 ? 30.236 -7.337 113.696 1.00 28.71 ? ? ? ? ? ? 153 GLY E C 1 +ATOM 9130 O O . GLY E 1 154 ? 30.269 -7.317 112.457 1.00 29.68 ? ? ? ? ? ? 153 GLY E O 1 +ATOM 9131 N N . TYR E 1 155 ? 30.354 -6.239 114.450 1.00 28.76 ? ? ? ? ? ? 154 TYR E N 1 +ATOM 9132 C CA . TYR E 1 155 ? 30.552 -4.923 113.843 1.00 26.26 ? ? ? ? ? ? 154 TYR E CA 1 +ATOM 9133 C C . TYR E 1 155 ? 32.015 -4.501 113.882 1.00 25.13 ? ? ? ? ? ? 154 TYR E C 1 +ATOM 9134 O O . TYR E 1 155 ? 32.444 -3.746 113.020 1.00 26.54 ? ? ? ? ? ? 154 TYR E O 1 +ATOM 9135 C CB . TYR E 1 155 ? 29.635 -3.852 114.483 1.00 23.88 ? ? ? ? ? ? 154 TYR E CB 1 +ATOM 9136 C CG . TYR E 1 155 ? 28.166 -4.058 114.225 1.00 20.21 ? ? ? ? ? ? 154 TYR E CG 1 +ATOM 9137 C CD1 . TYR E 1 155 ? 27.555 -3.533 113.088 1.00 17.95 ? ? ? ? ? ? 154 TYR E CD1 1 +ATOM 9138 C CD2 . TYR E 1 155 ? 27.380 -4.784 115.107 1.00 24.01 ? ? ? ? ? ? 154 TYR E CD2 1 +ATOM 9139 C CE1 . TYR E 1 155 ? 26.235 -3.740 112.823 1.00 21.80 ? ? ? ? ? ? 154 TYR E CE1 1 +ATOM 9140 C CE2 . TYR E 1 155 ? 26.036 -4.983 114.850 1.00 23.07 ? ? ? ? ? ? 154 TYR E CE2 1 +ATOM 9141 C CZ . TYR E 1 155 ? 25.473 -4.451 113.715 1.00 21.95 ? ? ? ? ? ? 154 TYR E CZ 1 +ATOM 9142 O OH . TYR E 1 155 ? 24.151 -4.639 113.454 1.00 22.94 ? ? ? ? ? ? 154 TYR E OH 1 +ATOM 9143 N N . PHE E 1 156 ? 32.781 -4.978 114.865 1.00 25.42 ? ? ? ? ? ? 155 PHE E N 1 +ATOM 9144 C CA . PHE E 1 156 ? 34.182 -4.584 115.024 1.00 26.68 ? ? ? ? ? ? 155 PHE E CA 1 +ATOM 9145 C C . PHE E 1 156 ? 35.062 -5.806 115.349 1.00 29.23 ? ? ? ? ? ? 155 PHE E C 1 +ATOM 9146 O O . PHE E 1 156 ? 34.563 -6.779 115.912 1.00 31.22 ? ? ? ? ? ? 155 PHE E O 1 +ATOM 9147 C CB . PHE E 1 156 ? 34.277 -3.485 116.104 1.00 24.52 ? ? ? ? ? ? 155 PHE E CB 1 +ATOM 9148 C CG . PHE E 1 156 ? 33.457 -2.270 115.769 1.00 25.47 ? ? ? ? ? ? 155 PHE E CG 1 +ATOM 9149 C CD1 . PHE E 1 156 ? 33.855 -1.413 114.748 1.00 22.09 ? ? ? ? ? ? 155 PHE E CD1 1 +ATOM 9150 C CD2 . PHE E 1 156 ? 32.263 -2.015 116.417 1.00 23.65 ? ? ? ? ? ? 155 PHE E CD2 1 +ATOM 9151 C CE1 . PHE E 1 156 ? 33.079 -0.318 114.396 1.00 22.69 ? ? ? ? ? ? 155 PHE E CE1 1 +ATOM 9152 C CE2 . PHE E 1 156 ? 31.490 -0.915 116.073 1.00 24.90 ? ? ? ? ? ? 155 PHE E CE2 1 +ATOM 9153 C CZ . PHE E 1 156 ? 31.892 -0.077 115.050 1.00 23.27 ? ? ? ? ? ? 155 PHE E CZ 1 +ATOM 9154 N N . GLU E 1 157 ? 36.353 -5.735 115.005 1.00 31.82 ? ? ? ? ? ? 156 GLU E N 1 +ATOM 9155 C CA A GLU E 1 157 ? 37.314 -6.831 115.215 0.50 32.42 ? ? ? ? ? ? 156 GLU E CA 1 +ATOM 9156 C CA B GLU E 1 157 ? 37.287 -6.854 115.244 0.50 32.94 ? ? ? ? ? ? 156 GLU E CA 1 +ATOM 9157 C C . GLU E 1 157 ? 38.015 -6.764 116.589 1.00 34.06 ? ? ? ? ? ? 156 GLU E C 1 +ATOM 9158 O O . GLU E 1 157 ? 38.188 -7.786 117.275 1.00 35.27 ? ? ? ? ? ? 156 GLU E O 1 +ATOM 9159 C CB A GLU E 1 157 ? 38.373 -6.821 114.101 0.50 32.28 ? ? ? ? ? ? 156 GLU E CB 1 +ATOM 9160 C CB B GLU E 1 157 ? 38.322 -7.003 114.119 0.50 32.55 ? ? ? ? ? ? 156 GLU E CB 1 +ATOM 9161 C CG A GLU E 1 157 ? 37.806 -6.716 112.666 0.50 34.29 ? ? ? ? ? ? 156 GLU E CG 1 +ATOM 9162 C CG B GLU E 1 157 ? 38.753 -8.465 113.918 0.50 33.23 ? ? ? ? ? ? 156 GLU E CG 1 +ATOM 9163 C CD A GLU E 1 157 ? 38.888 -6.621 111.607 0.50 31.98 ? ? ? ? ? ? 156 GLU E CD 1 +ATOM 9164 C CD B GLU E 1 157 ? 40.116 -8.640 113.253 0.50 35.48 ? ? ? ? ? ? 156 GLU E CD 1 +ATOM 9165 O OE1 A GLU E 1 157 ? 39.919 -7.305 111.749 0.50 36.51 ? ? ? ? ? ? 156 GLU E OE1 1 +ATOM 9166 O OE1 B GLU E 1 157 ? 40.502 -7.785 112.435 0.50 35.48 ? ? ? ? ? ? 156 GLU E OE1 1 +ATOM 9167 O OE2 A GLU E 1 157 ? 38.708 -5.871 110.631 0.50 30.56 ? ? ? ? ? ? 156 GLU E OE2 1 +ATOM 9168 O OE2 B GLU E 1 157 ? 40.792 -9.661 113.544 0.50 33.27 ? ? ? ? ? ? 156 GLU E OE2 1 +ATOM 9169 N N . ALA E 1 158 ? 38.458 -5.572 116.982 1.00 34.91 ? ? ? ? ? ? 157 ALA E N 1 +ATOM 9170 C CA . ALA E 1 158 ? 39.147 -5.393 118.279 1.00 34.82 ? ? ? ? ? ? 157 ALA E CA 1 +ATOM 9171 C C . ALA E 1 158 ? 38.295 -5.876 119.451 1.00 35.84 ? ? ? ? ? ? 157 ALA E C 1 +ATOM 9172 O O . ALA E 1 158 ? 37.114 -5.529 119.573 1.00 35.41 ? ? ? ? ? ? 157 ALA E O 1 +ATOM 9173 C CB . ALA E 1 158 ? 39.549 -3.932 118.493 1.00 33.33 ? ? ? ? ? ? 157 ALA E CB 1 +ATOM 9174 N N . GLU E 1 159 ? 38.903 -6.677 120.320 1.00 37.95 ? ? ? ? ? ? 158 GLU E N 1 +ATOM 9175 C CA . GLU E 1 159 ? 38.189 -7.224 121.476 1.00 41.18 ? ? ? ? ? ? 158 GLU E CA 1 +ATOM 9176 C C . GLU E 1 159 ? 38.134 -6.191 122.610 1.00 37.93 ? ? ? ? ? ? 158 GLU E C 1 +ATOM 9177 O O . GLU E 1 159 ? 37.063 -5.912 123.139 1.00 38.17 ? ? ? ? ? ? 158 GLU E O 1 +ATOM 9178 C CB . GLU E 1 159 ? 38.801 -8.563 121.902 1.00 42.90 ? ? ? ? ? ? 158 GLU E CB 1 +ATOM 9179 C CG . GLU E 1 159 ? 38.533 -9.648 120.839 1.00 52.68 ? ? ? ? ? ? 158 GLU E CG 1 +ATOM 9180 C CD . GLU E 1 159 ? 39.295 -10.949 121.073 1.00 52.37 ? ? ? ? ? ? 158 GLU E CD 1 +ATOM 9181 O OE1 . GLU E 1 159 ? 40.536 -10.986 120.838 1.00 64.91 ? ? ? ? ? ? 158 GLU E OE1 1 +ATOM 9182 O OE2 . GLU E 1 159 ? 38.634 -11.941 121.474 1.00 68.35 ? ? ? ? ? ? 158 GLU E OE2 1 +ATOM 9183 N N . ILE E 1 160 ? 39.282 -5.599 122.942 1.00 35.51 ? ? ? ? ? ? 159 ILE E N 1 +ATOM 9184 C CA . ILE E 1 160 ? 39.330 -4.428 123.824 1.00 34.13 ? ? ? ? ? ? 159 ILE E CA 1 +ATOM 9185 C C . ILE E 1 160 ? 39.014 -3.166 122.992 1.00 32.54 ? ? ? ? ? ? 159 ILE E C 1 +ATOM 9186 O O . ILE E 1 160 ? 39.641 -2.868 121.959 1.00 30.80 ? ? ? ? ? ? 159 ILE E O 1 +ATOM 9187 C CB . ILE E 1 160 ? 40.685 -4.290 124.584 1.00 33.89 ? ? ? ? ? ? 159 ILE E CB 1 +ATOM 9188 C CG1 . ILE E 1 160 ? 40.985 -5.565 125.402 1.00 33.78 ? ? ? ? ? ? 159 ILE E CG1 1 +ATOM 9189 C CG2 . ILE E 1 160 ? 40.646 -3.058 125.499 1.00 29.99 ? ? ? ? ? ? 159 ILE E CG2 1 +ATOM 9190 C CD1 . ILE E 1 160 ? 42.439 -5.745 125.818 1.00 33.93 ? ? ? ? ? ? 159 ILE E CD1 1 +ATOM 9191 N N . ASP E 1 161 ? 38.004 -2.451 123.445 1.00 31.35 ? ? ? ? ? ? 160 ASP E N 1 +ATOM 9192 C CA . ASP E 1 161 ? 37.509 -1.294 122.743 1.00 32.35 ? ? ? ? ? ? 160 ASP E CA 1 +ATOM 9193 C C . ASP E 1 161 ? 36.695 -0.483 123.734 1.00 31.92 ? ? ? ? ? ? 160 ASP E C 1 +ATOM 9194 O O . ASP E 1 161 ? 35.464 -0.470 123.658 1.00 32.41 ? ? ? ? ? ? 160 ASP E O 1 +ATOM 9195 C CB . ASP E 1 161 ? 36.637 -1.769 121.573 1.00 31.61 ? ? ? ? ? ? 160 ASP E CB 1 +ATOM 9196 C CG . ASP E 1 161 ? 36.177 -0.643 120.688 1.00 34.49 ? ? ? ? ? ? 160 ASP E CG 1 +ATOM 9197 O OD1 . ASP E 1 161 ? 36.517 0.528 120.977 1.00 33.80 ? ? ? ? ? ? 160 ASP E OD1 1 +ATOM 9198 O OD2 . ASP E 1 161 ? 35.471 -0.948 119.704 1.00 38.93 ? ? ? ? ? ? 160 ASP E OD2 1 +ATOM 9199 N N . ASP E 1 162 ? 37.373 0.173 124.679 1.00 31.29 ? ? ? ? ? ? 161 ASP E N 1 +ATOM 9200 C CA . ASP E 1 162 ? 36.668 0.945 125.719 1.00 30.70 ? ? ? ? ? ? 161 ASP E CA 1 +ATOM 9201 C C . ASP E 1 162 ? 36.647 2.461 125.498 1.00 29.54 ? ? ? ? ? ? 161 ASP E C 1 +ATOM 9202 O O . ASP E 1 162 ? 35.723 3.136 125.947 1.00 30.35 ? ? ? ? ? ? 161 ASP E O 1 +ATOM 9203 C CB . ASP E 1 162 ? 37.221 0.630 127.111 1.00 30.69 ? ? ? ? ? ? 161 ASP E CB 1 +ATOM 9204 C CG . ASP E 1 162 ? 36.910 -0.788 127.549 1.00 35.74 ? ? ? ? ? ? 161 ASP E CG 1 +ATOM 9205 O OD1 . ASP E 1 162 ? 35.889 -1.323 127.086 1.00 43.46 ? ? ? ? ? ? 161 ASP E OD1 1 +ATOM 9206 O OD2 . ASP E 1 162 ? 37.672 -1.357 128.365 1.00 44.56 ? ? ? ? ? ? 161 ASP E OD2 1 +ATOM 9207 N N . HIS E 1 163 ? 37.661 2.995 124.833 1.00 26.15 ? ? ? ? ? ? 162 HIS E N 1 +ATOM 9208 C CA . HIS E 1 163 ? 37.769 4.423 124.686 1.00 23.90 ? ? ? ? ? ? 162 HIS E CA 1 +ATOM 9209 C C . HIS E 1 163 ? 38.694 4.751 123.527 1.00 22.47 ? ? ? ? ? ? 162 HIS E C 1 +ATOM 9210 O O . HIS E 1 163 ? 39.853 4.317 123.499 1.00 20.34 ? ? ? ? ? ? 162 HIS E O 1 +ATOM 9211 C CB . HIS E 1 163 ? 38.254 5.024 126.015 1.00 25.32 ? ? ? ? ? ? 162 HIS E CB 1 +ATOM 9212 C CG . HIS E 1 163 ? 38.645 6.459 125.944 1.00 21.51 ? ? ? ? ? ? 162 HIS E CG 1 +ATOM 9213 N ND1 . HIS E 1 163 ? 37.728 7.479 125.898 1.00 18.42 ? ? ? ? ? ? 162 HIS E ND1 1 +ATOM 9214 C CD2 . HIS E 1 163 ? 39.867 7.045 125.952 1.00 20.52 ? ? ? ? ? ? 162 HIS E CD2 1 +ATOM 9215 C CE1 . HIS E 1 163 ? 38.368 8.636 125.870 1.00 24.57 ? ? ? ? ? ? 162 HIS E CE1 1 +ATOM 9216 N NE2 . HIS E 1 163 ? 39.667 8.401 125.904 1.00 19.73 ? ? ? ? ? ? 162 HIS E NE2 1 +ATOM 9217 N N . ALA E 1 164 ? 38.163 5.525 122.572 1.00 21.15 ? ? ? ? ? ? 163 ALA E N 1 +ATOM 9218 C CA . ALA E 1 164 ? 38.939 5.957 121.405 1.00 21.92 ? ? ? ? ? ? 163 ALA E CA 1 +ATOM 9219 C C . ALA E 1 164 ? 39.436 4.742 120.624 1.00 23.40 ? ? ? ? ? ? 163 ALA E C 1 +ATOM 9220 O O . ALA E 1 164 ? 40.502 4.790 119.999 1.00 23.68 ? ? ? ? ? ? 163 ALA E O 1 +ATOM 9221 C CB . ALA E 1 164 ? 40.128 6.847 121.832 1.00 19.35 ? ? ? ? ? ? 163 ALA E CB 1 +ATOM 9222 N N . GLY E 1 165 ? 38.667 3.652 120.684 1.00 23.81 ? ? ? ? ? ? 164 GLY E N 1 +ATOM 9223 C CA . GLY E 1 165 ? 39.059 2.413 120.035 1.00 23.95 ? ? ? ? ? ? 164 GLY E CA 1 +ATOM 9224 C C . GLY E 1 165 ? 38.443 2.309 118.662 1.00 23.49 ? ? ? ? ? ? 164 GLY E C 1 +ATOM 9225 O O . GLY E 1 165 ? 38.155 3.340 118.005 1.00 23.84 ? ? ? ? ? ? 164 GLY E O 1 +ATOM 9226 N N . GLU E 1 166 ? 38.208 1.070 118.231 1.00 22.75 ? ? ? ? ? ? 165 GLU E N 1 +ATOM 9227 C CA . GLU E 1 166 ? 37.753 0.802 116.862 1.00 22.70 ? ? ? ? ? ? 165 GLU E CA 1 +ATOM 9228 C C . GLU E 1 166 ? 36.376 1.366 116.570 1.00 22.23 ? ? ? ? ? ? 165 GLU E C 1 +ATOM 9229 O O . GLU E 1 166 ? 36.159 1.956 115.507 1.00 22.75 ? ? ? ? ? ? 165 GLU E O 1 +ATOM 9230 C CB . GLU E 1 166 ? 37.792 -0.699 116.550 1.00 22.86 ? ? ? ? ? ? 165 GLU E CB 1 +ATOM 9231 C CG . GLU E 1 166 ? 37.740 -1.007 115.051 1.00 25.60 ? ? ? ? ? ? 165 GLU E CG 1 +ATOM 9232 C CD . GLU E 1 166 ? 37.833 -2.490 114.744 1.00 25.76 ? ? ? ? ? ? 165 GLU E CD 1 +ATOM 9233 O OE1 . GLU E 1 166 ? 38.683 -3.200 115.344 1.00 25.99 ? ? ? ? ? ? 165 GLU E OE1 1 +ATOM 9234 O OE2 . GLU E 1 166 ? 37.027 -2.942 113.915 1.00 26.85 ? ? ? ? ? ? 165 GLU E OE2 1 +ATOM 9235 N N . SER E 1 167 ? 35.450 1.188 117.511 1.00 22.62 ? ? ? ? ? ? 166 SER E N 1 +ATOM 9236 C CA . SER E 1 167 ? 34.077 1.644 117.340 1.00 22.87 ? ? ? ? ? ? 166 SER E CA 1 +ATOM 9237 C C . SER E 1 167 ? 33.967 3.177 117.276 1.00 22.91 ? ? ? ? ? ? 166 SER E C 1 +ATOM 9238 O O . SER E 1 167 ? 33.338 3.718 116.348 1.00 24.61 ? ? ? ? ? ? 166 SER E O 1 +ATOM 9239 C CB . SER E 1 167 ? 33.156 1.109 118.429 1.00 23.34 ? ? ? ? ? ? 166 SER E CB 1 +ATOM 9240 O OG . SER E 1 167 ? 33.738 1.223 119.699 1.00 29.10 ? ? ? ? ? ? 166 SER E OG 1 +ATOM 9241 N N . GLU E 1 168 ? 34.534 3.869 118.258 1.00 23.27 ? ? ? ? ? ? 167 GLU E N 1 +ATOM 9242 C CA . GLU E 1 168 ? 34.502 5.349 118.258 1.00 22.91 ? ? ? ? ? ? 167 GLU E CA 1 +ATOM 9243 C C . GLU E 1 168 ? 35.200 5.924 117.009 1.00 21.00 ? ? ? ? ? ? 167 GLU E C 1 +ATOM 9244 O O . GLU E 1 168 ? 34.702 6.859 116.370 1.00 20.70 ? ? ? ? ? ? 167 GLU E O 1 +ATOM 9245 C CB . GLU E 1 168 ? 35.101 5.946 119.565 1.00 22.56 ? ? ? ? ? ? 167 GLU E CB 1 +ATOM 9246 C CG . GLU E 1 168 ? 34.060 6.194 120.670 1.00 22.77 ? ? ? ? ? ? 167 GLU E CG 1 +ATOM 9247 C CD . GLU E 1 168 ? 34.584 6.921 121.890 1.00 23.41 ? ? ? ? ? ? 167 GLU E CD 1 +ATOM 9248 O OE1 . GLU E 1 168 ? 35.756 6.735 122.315 1.00 21.03 ? ? ? ? ? ? 167 GLU E OE1 1 +ATOM 9249 O OE2 . GLU E 1 168 ? 33.792 7.702 122.441 1.00 22.64 ? ? ? ? ? ? 167 GLU E OE2 1 +ATOM 9250 N N . THR E 1 169 ? 36.335 5.349 116.652 1.00 20.17 ? ? ? ? ? ? 168 THR E N 1 +ATOM 9251 C CA . THR E 1 169 ? 37.069 5.827 115.503 1.00 20.31 ? ? ? ? ? ? 168 THR E CA 1 +ATOM 9252 C C . THR E 1 169 ? 36.297 5.584 114.195 1.00 20.86 ? ? ? ? ? ? 168 THR E C 1 +ATOM 9253 O O . THR E 1 169 ? 36.247 6.462 113.331 1.00 21.91 ? ? ? ? ? ? 168 THR E O 1 +ATOM 9254 C CB . THR E 1 169 ? 38.447 5.173 115.415 1.00 20.08 ? ? ? ? ? ? 168 THR E CB 1 +ATOM 9255 O OG1 . THR E 1 169 ? 39.150 5.370 116.639 1.00 18.78 ? ? ? ? ? ? 168 THR E OG1 1 +ATOM 9256 C CG2 . THR E 1 169 ? 39.232 5.781 114.334 1.00 18.43 ? ? ? ? ? ? 168 THR E CG2 1 +ATOM 9257 N N . SER E 1 170 ? 35.696 4.401 114.057 1.00 20.86 ? ? ? ? ? ? 169 SER E N 1 +ATOM 9258 C CA . SER E 1 170 ? 34.925 4.088 112.870 1.00 20.47 ? ? ? ? ? ? 169 SER E CA 1 +ATOM 9259 C C . SER E 1 170 ? 33.728 5.010 112.762 1.00 20.95 ? ? ? ? ? ? 169 SER E C 1 +ATOM 9260 O O . SER E 1 170 ? 33.424 5.484 111.685 1.00 20.84 ? ? ? ? ? ? 169 SER E O 1 +ATOM 9261 C CB . SER E 1 170 ? 34.436 2.646 112.888 1.00 20.25 ? ? ? ? ? ? 169 SER E CB 1 +ATOM 9262 O OG . SER E 1 170 ? 35.495 1.720 112.935 1.00 18.11 ? ? ? ? ? ? 169 SER E OG 1 +ATOM 9263 N N . VAL E 1 171 ? 32.998 5.204 113.860 1.00 21.40 ? ? ? ? ? ? 170 VAL E N 1 +ATOM 9264 C CA . VAL E 1 171 ? 31.827 6.082 113.825 1.00 20.00 ? ? ? ? ? ? 170 VAL E CA 1 +ATOM 9265 C C . VAL E 1 171 ? 32.252 7.533 113.511 1.00 20.35 ? ? ? ? ? ? 170 VAL E C 1 +ATOM 9266 O O . VAL E 1 171 ? 31.604 8.215 112.715 1.00 22.42 ? ? ? ? ? ? 170 VAL E O 1 +ATOM 9267 C CB . VAL E 1 171 ? 30.950 5.962 115.104 1.00 19.62 ? ? ? ? ? ? 170 VAL E CB 1 +ATOM 9268 C CG1 . VAL E 1 171 ? 29.678 6.891 115.016 1.00 15.25 ? ? ? ? ? ? 170 VAL E CG1 1 +ATOM 9269 C CG2 . VAL E 1 171 ? 30.519 4.489 115.268 1.00 16.86 ? ? ? ? ? ? 170 VAL E CG2 1 +ATOM 9270 N N . MSE E 1 172 ? 33.368 7.988 114.076 1.00 19.70 ? ? ? ? ? ? 171 MSE E N 1 +ATOM 9271 C CA . MSE E 1 172 ? 33.864 9.323 113.734 1.00 20.48 ? ? ? ? ? ? 171 MSE E CA 1 +ATOM 9272 C C . MSE E 1 172 ? 34.243 9.465 112.258 1.00 21.08 ? ? ? ? ? ? 171 MSE E C 1 +ATOM 9273 O O . MSE E 1 172 ? 33.967 10.501 111.643 1.00 21.07 ? ? ? ? ? ? 171 MSE E O 1 +ATOM 9274 C CB . MSE E 1 172 ? 35.064 9.742 114.627 1.00 20.20 ? ? ? ? ? ? 171 MSE E CB 1 +ATOM 9275 C CG . MSE E 1 172 ? 35.511 11.205 114.385 1.00 21.20 ? ? ? ? ? ? 171 MSE E CG 1 +ATOM 9276 SE SE . MSE E 1 172 ? 34.167 12.576 114.851 0.75 21.76 ? ? ? ? ? ? 171 MSE E SE 1 +ATOM 9277 C CE . MSE E 1 172 ? 34.237 12.195 116.730 1.00 18.17 ? ? ? ? ? ? 171 MSE E CE 1 +ATOM 9278 N N . MSE E 1 173 ? 34.881 8.433 111.711 1.00 21.41 ? ? ? ? ? ? 172 MSE E N 1 +ATOM 9279 C CA . MSE E 1 173 ? 35.279 8.400 110.302 1.00 21.84 ? ? ? ? ? ? 172 MSE E CA 1 +ATOM 9280 C C . MSE E 1 173 ? 34.092 8.500 109.359 1.00 22.12 ? ? ? ? ? ? 172 MSE E C 1 +ATOM 9281 O O . MSE E 1 173 ? 34.160 9.166 108.347 1.00 23.45 ? ? ? ? ? ? 172 MSE E O 1 +ATOM 9282 C CB . MSE E 1 173 ? 36.115 7.143 110.017 1.00 23.64 ? ? ? ? ? ? 172 MSE E CB 1 +ATOM 9283 C CG . MSE E 1 173 ? 37.539 7.209 110.575 1.00 23.98 ? ? ? ? ? ? 172 MSE E CG 1 +ATOM 9284 SE SE . MSE E 1 173 ? 38.527 5.443 110.426 0.75 23.08 ? ? ? ? ? ? 172 MSE E SE 1 +ATOM 9285 C CE . MSE E 1 173 ? 38.849 5.479 108.501 1.00 24.70 ? ? ? ? ? ? 172 MSE E CE 1 +ATOM 9286 N N . HIS E 1 174 ? 32.988 7.860 109.730 1.00 21.93 ? ? ? ? ? ? 173 HIS E N 1 +ATOM 9287 C CA . HIS E 1 174 ? 31.733 7.975 109.026 1.00 21.33 ? ? ? ? ? ? 173 HIS E CA 1 +ATOM 9288 C C . HIS E 1 174 ? 31.131 9.372 109.048 1.00 22.81 ? ? ? ? ? ? 173 HIS E C 1 +ATOM 9289 O O . HIS E 1 174 ? 30.785 9.928 108.028 1.00 22.67 ? ? ? ? ? ? 173 HIS E O 1 +ATOM 9290 C CB . HIS E 1 174 ? 30.723 7.022 109.677 1.00 22.05 ? ? ? ? ? ? 173 HIS E CB 1 +ATOM 9291 C CG . HIS E 1 174 ? 29.339 7.182 109.152 1.00 21.90 ? ? ? ? ? ? 173 HIS E CG 1 +ATOM 9292 N ND1 . HIS E 1 174 ? 29.064 7.196 107.805 1.00 23.13 ? ? ? ? ? ? 173 HIS E ND1 1 +ATOM 9293 C CD2 . HIS E 1 174 ? 28.155 7.356 109.786 1.00 23.69 ? ? ? ? ? ? 173 HIS E CD2 1 +ATOM 9294 C CE1 . HIS E 1 174 ? 27.767 7.382 107.629 1.00 26.84 ? ? ? ? ? ? 173 HIS E CE1 1 +ATOM 9295 N NE2 . HIS E 1 174 ? 27.191 7.482 108.818 1.00 22.93 ? ? ? ? ? ? 173 HIS E NE2 1 +ATOM 9296 N N . TYR E 1 175 ? 30.927 9.923 110.243 1.00 22.61 ? ? ? ? ? ? 174 TYR E N 1 +ATOM 9297 C CA . TYR E 1 175 ? 30.236 11.196 110.376 1.00 21.50 ? ? ? ? ? ? 174 TYR E CA 1 +ATOM 9298 C C . TYR E 1 175 ? 31.130 12.391 110.017 1.00 20.72 ? ? ? ? ? ? 174 TYR E C 1 +ATOM 9299 O O . TYR E 1 175 ? 30.662 13.358 109.448 1.00 18.99 ? ? ? ? ? ? 174 TYR E O 1 +ATOM 9300 C CB . TYR E 1 175 ? 29.682 11.370 111.789 1.00 22.00 ? ? ? ? ? ? 174 TYR E CB 1 +ATOM 9301 C CG . TYR E 1 175 ? 28.415 10.603 112.066 1.00 20.38 ? ? ? ? ? ? 174 TYR E CG 1 +ATOM 9302 C CD1 . TYR E 1 175 ? 27.289 10.783 111.277 1.00 22.24 ? ? ? ? ? ? 174 TYR E CD1 1 +ATOM 9303 C CD2 . TYR E 1 175 ? 28.328 9.743 113.151 1.00 17.79 ? ? ? ? ? ? 174 TYR E CD2 1 +ATOM 9304 C CE1 . TYR E 1 175 ? 26.112 10.091 111.545 1.00 20.64 ? ? ? ? ? ? 174 TYR E CE1 1 +ATOM 9305 C CE2 . TYR E 1 175 ? 27.163 9.058 113.435 1.00 22.90 ? ? ? ? ? ? 174 TYR E CE2 1 +ATOM 9306 C CZ . TYR E 1 175 ? 26.065 9.235 112.623 1.00 21.10 ? ? ? ? ? ? 174 TYR E CZ 1 +ATOM 9307 O OH . TYR E 1 175 ? 24.941 8.555 112.893 1.00 16.88 ? ? ? ? ? ? 174 TYR E OH 1 +ATOM 9308 N N . HIS E 1 176 ? 32.402 12.330 110.397 1.00 21.89 ? ? ? ? ? ? 175 HIS E N 1 +ATOM 9309 C CA . HIS E 1 176 ? 33.347 13.458 110.189 1.00 22.44 ? ? ? ? ? ? 175 HIS E CA 1 +ATOM 9310 C C . HIS E 1 176 ? 34.747 12.962 109.884 1.00 23.11 ? ? ? ? ? ? 175 HIS E C 1 +ATOM 9311 O O . HIS E 1 176 ? 35.651 13.114 110.733 1.00 23.24 ? ? ? ? ? ? 175 HIS E O 1 +ATOM 9312 C CB . HIS E 1 176 ? 33.422 14.362 111.445 1.00 22.88 ? ? ? ? ? ? 175 HIS E CB 1 +ATOM 9313 C CG . HIS E 1 176 ? 32.129 15.008 111.795 1.00 22.91 ? ? ? ? ? ? 175 HIS E CG 1 +ATOM 9314 N ND1 . HIS E 1 176 ? 31.723 16.195 111.227 1.00 24.14 ? ? ? ? ? ? 175 HIS E ND1 1 +ATOM 9315 C CD2 . HIS E 1 176 ? 31.133 14.621 112.624 1.00 21.40 ? ? ? ? ? ? 175 HIS E CD2 1 +ATOM 9316 C CE1 . HIS E 1 176 ? 30.526 16.511 111.691 1.00 28.42 ? ? ? ? ? ? 175 HIS E CE1 1 +ATOM 9317 N NE2 . HIS E 1 176 ? 30.150 15.578 112.546 1.00 25.02 ? ? ? ? ? ? 175 HIS E NE2 1 +ATOM 9318 N N . PRO E 1 177 ? 34.952 12.412 108.676 1.00 25.01 ? ? ? ? ? ? 176 PRO E N 1 +ATOM 9319 C CA . PRO E 1 177 ? 36.282 11.937 108.273 1.00 26.17 ? ? ? ? ? ? 176 PRO E CA 1 +ATOM 9320 C C . PRO E 1 177 ? 37.362 13.016 108.340 1.00 25.86 ? ? ? ? ? ? 176 PRO E C 1 +ATOM 9321 O O . PRO E 1 177 ? 38.541 12.708 108.539 1.00 26.91 ? ? ? ? ? ? 176 PRO E O 1 +ATOM 9322 C CB . PRO E 1 177 ? 36.086 11.474 106.814 1.00 26.08 ? ? ? ? ? ? 176 PRO E CB 1 +ATOM 9323 C CG . PRO E 1 177 ? 34.823 12.059 106.357 1.00 26.19 ? ? ? ? ? ? 176 PRO E CG 1 +ATOM 9324 C CD . PRO E 1 177 ? 33.966 12.244 107.595 1.00 26.67 ? ? ? ? ? ? 176 PRO E CD 1 +ATOM 9325 N N . GLU E 1 178 ? 36.946 14.263 108.176 1.00 27.18 ? ? ? ? ? ? 177 GLU E N 1 +ATOM 9326 C CA . GLU E 1 178 ? 37.864 15.419 108.224 1.00 27.61 ? ? ? ? ? ? 177 GLU E CA 1 +ATOM 9327 C C . GLU E 1 178 ? 38.445 15.687 109.630 1.00 27.24 ? ? ? ? ? ? 177 GLU E C 1 +ATOM 9328 O O . GLU E 1 178 ? 39.416 16.421 109.764 1.00 26.50 ? ? ? ? ? ? 177 GLU E O 1 +ATOM 9329 C CB . GLU E 1 178 ? 37.171 16.692 107.671 1.00 28.61 ? ? ? ? ? ? 177 GLU E CB 1 +ATOM 9330 C CG . GLU E 1 178 ? 36.131 17.461 108.593 1.00 28.83 ? ? ? ? ? ? 177 GLU E CG 1 +ATOM 9331 C CD . GLU E 1 178 ? 34.726 16.803 108.739 1.00 32.64 ? ? ? ? ? ? 177 GLU E CD 1 +ATOM 9332 O OE1 . GLU E 1 178 ? 34.411 15.786 108.097 1.00 26.32 ? ? ? ? ? ? 177 GLU E OE1 1 +ATOM 9333 O OE2 . GLU E 1 178 ? 33.895 17.331 109.524 1.00 37.44 ? ? ? ? ? ? 177 GLU E OE2 1 +ATOM 9334 N N . LEU E 1 179 ? 37.845 15.077 110.657 1.00 26.21 ? ? ? ? ? ? 178 LEU E N 1 +ATOM 9335 C CA . LEU E 1 179 ? 38.219 15.298 112.053 1.00 25.49 ? ? ? ? ? ? 178 LEU E CA 1 +ATOM 9336 C C . LEU E 1 179 ? 39.154 14.226 112.619 1.00 26.81 ? ? ? ? ? ? 178 LEU E C 1 +ATOM 9337 O O . LEU E 1 179 ? 39.641 14.347 113.749 1.00 28.46 ? ? ? ? ? ? 178 LEU E O 1 +ATOM 9338 C CB . LEU E 1 179 ? 36.951 15.456 112.929 1.00 25.96 ? ? ? ? ? ? 178 LEU E CB 1 +ATOM 9339 C CG . LEU E 1 179 ? 36.200 16.800 112.863 1.00 23.84 ? ? ? ? ? ? 178 LEU E CG 1 +ATOM 9340 C CD1 . LEU E 1 179 ? 35.022 16.849 113.882 1.00 22.81 ? ? ? ? ? ? 178 LEU E CD1 1 +ATOM 9341 C CD2 . LEU E 1 179 ? 37.124 18.010 113.053 1.00 26.15 ? ? ? ? ? ? 178 LEU E CD2 1 +ATOM 9342 N N . VAL E 1 180 ? 39.449 13.196 111.832 1.00 26.90 ? ? ? ? ? ? 179 VAL E N 1 +ATOM 9343 C CA . VAL E 1 180 ? 40.296 12.114 112.299 1.00 26.80 ? ? ? ? ? ? 179 VAL E CA 1 +ATOM 9344 C C . VAL E 1 180 ? 41.194 11.551 111.211 1.00 27.92 ? ? ? ? ? ? 179 VAL E C 1 +ATOM 9345 O O . VAL E 1 180 ? 40.724 11.207 110.134 1.00 28.43 ? ? ? ? ? ? 179 VAL E O 1 +ATOM 9346 C CB . VAL E 1 180 ? 39.451 10.976 112.985 1.00 27.45 ? ? ? ? ? ? 179 VAL E CB 1 +ATOM 9347 C CG1 . VAL E 1 180 ? 38.272 10.485 112.124 1.00 22.41 ? ? ? ? ? ? 179 VAL E CG1 1 +ATOM 9348 C CG2 . VAL E 1 180 ? 40.351 9.844 113.397 1.00 26.18 ? ? ? ? ? ? 179 VAL E CG2 1 +ATOM 9349 N N . ASN E 1 181 ? 42.498 11.498 111.507 1.00 29.21 ? ? ? ? ? ? 180 ASN E N 1 +ATOM 9350 C CA A ASN E 1 181 ? 43.487 10.813 110.640 0.50 28.03 ? ? ? ? ? ? 180 ASN E CA 1 +ATOM 9351 C CA B ASN E 1 181 ? 43.484 10.851 110.665 0.50 28.14 ? ? ? ? ? ? 180 ASN E CA 1 +ATOM 9352 C C . ASN E 1 181 ? 43.953 9.588 111.386 1.00 27.53 ? ? ? ? ? ? 180 ASN E C 1 +ATOM 9353 O O . ASN E 1 181 ? 44.745 9.673 112.312 1.00 26.90 ? ? ? ? ? ? 180 ASN E O 1 +ATOM 9354 C CB A ASN E 1 181 ? 44.692 11.707 110.247 0.50 28.53 ? ? ? ? ? ? 180 ASN E CB 1 +ATOM 9355 C CB B ASN E 1 181 ? 44.653 11.821 110.405 0.50 28.69 ? ? ? ? ? ? 180 ASN E CB 1 +ATOM 9356 C CG A ASN E 1 181 ? 45.798 10.944 109.423 0.50 30.22 ? ? ? ? ? ? 180 ASN E CG 1 +ATOM 9357 C CG B ASN E 1 181 ? 44.218 13.091 109.671 0.50 30.46 ? ? ? ? ? ? 180 ASN E CG 1 +ATOM 9358 O OD1 A ASN E 1 181 ? 45.534 9.951 108.724 0.50 30.63 ? ? ? ? ? ? 180 ASN E OD1 1 +ATOM 9359 O OD1 B ASN E 1 181 ? 43.397 13.040 108.758 0.50 37.04 ? ? ? ? ? ? 180 ASN E OD1 1 +ATOM 9360 N ND2 A ASN E 1 181 ? 47.037 11.441 109.507 0.50 28.65 ? ? ? ? ? ? 180 ASN E ND2 1 +ATOM 9361 N ND2 B ASN E 1 181 ? 44.775 14.232 110.064 0.50 30.97 ? ? ? ? ? ? 180 ASN E ND2 1 +ATOM 9362 N N . LEU E 1 182 ? 43.444 8.428 110.965 1.00 27.10 ? ? ? ? ? ? 181 LEU E N 1 +ATOM 9363 C CA . LEU E 1 182 ? 43.707 7.168 111.633 1.00 27.13 ? ? ? ? ? ? 181 LEU E CA 1 +ATOM 9364 C C . LEU E 1 182 ? 45.189 6.862 111.773 1.00 27.19 ? ? ? ? ? ? 181 LEU E C 1 +ATOM 9365 O O . LEU E 1 182 ? 45.620 6.333 112.799 1.00 27.17 ? ? ? ? ? ? 181 LEU E O 1 +ATOM 9366 C CB . LEU E 1 182 ? 42.970 6.042 110.926 1.00 27.68 ? ? ? ? ? ? 181 LEU E CB 1 +ATOM 9367 C CG . LEU E 1 182 ? 43.161 4.636 111.497 1.00 27.49 ? ? ? ? ? ? 181 LEU E CG 1 +ATOM 9368 C CD1 . LEU E 1 182 ? 42.706 4.509 112.983 1.00 25.96 ? ? ? ? ? ? 181 LEU E CD1 1 +ATOM 9369 C CD2 . LEU E 1 182 ? 42.455 3.589 110.565 1.00 27.01 ? ? ? ? ? ? 181 LEU E CD2 1 +ATOM 9370 N N . ALA E 1 183 ? 45.985 7.266 110.794 1.00 28.37 ? ? ? ? ? ? 182 ALA E N 1 +ATOM 9371 C CA . ALA E 1 183 ? 47.455 7.064 110.821 1.00 29.07 ? ? ? ? ? ? 182 ALA E CA 1 +ATOM 9372 C C . ALA E 1 183 ? 48.159 7.666 112.062 1.00 30.17 ? ? ? ? ? ? 182 ALA E C 1 +ATOM 9373 O O . ALA E 1 183 ? 49.280 7.283 112.405 1.00 30.08 ? ? ? ? ? ? 182 ALA E O 1 +ATOM 9374 C CB . ALA E 1 183 ? 48.073 7.665 109.550 1.00 29.19 ? ? ? ? ? ? 182 ALA E CB 1 +ATOM 9375 N N . GLU E 1 184 ? 47.504 8.631 112.702 1.00 30.62 ? ? ? ? ? ? 183 GLU E N 1 +ATOM 9376 C CA . GLU E 1 184 ? 48.037 9.289 113.886 1.00 31.41 ? ? ? ? ? ? 183 GLU E CA 1 +ATOM 9377 C C . GLU E 1 184 ? 47.773 8.514 115.181 1.00 27.97 ? ? ? ? ? ? 183 GLU E C 1 +ATOM 9378 O O . GLU E 1 184 ? 48.298 8.873 116.226 1.00 27.51 ? ? ? ? ? ? 183 GLU E O 1 +ATOM 9379 C CB . GLU E 1 184 ? 47.443 10.698 113.996 1.00 31.45 ? ? ? ? ? ? 183 GLU E CB 1 +ATOM 9380 C CG . GLU E 1 184 ? 47.786 11.585 112.794 1.00 36.98 ? ? ? ? ? ? 183 GLU E CG 1 +ATOM 9381 C CD . GLU E 1 184 ? 47.054 12.946 112.772 1.00 37.66 ? ? ? ? ? ? 183 GLU E CD 1 +ATOM 9382 O OE1 . GLU E 1 184 ? 46.343 13.280 113.756 1.00 41.35 ? ? ? ? ? ? 183 GLU E OE1 1 +ATOM 9383 O OE2 . GLU E 1 184 ? 47.188 13.666 111.744 1.00 39.92 ? ? ? ? ? ? 183 GLU E OE2 1 +ATOM 9384 N N . ALA E 1 185 ? 46.957 7.466 115.120 1.00 26.71 ? ? ? ? ? ? 184 ALA E N 1 +ATOM 9385 C CA . ALA E 1 185 ? 46.553 6.762 116.334 1.00 25.46 ? ? ? ? ? ? 184 ALA E CA 1 +ATOM 9386 C C . ALA E 1 185 ? 47.715 5.987 116.924 1.00 26.41 ? ? ? ? ? ? 184 ALA E C 1 +ATOM 9387 O O . ALA E 1 185 ? 48.508 5.417 116.193 1.00 27.51 ? ? ? ? ? ? 184 ALA E O 1 +ATOM 9388 C CB . ALA E 1 185 ? 45.398 5.835 116.058 1.00 22.57 ? ? ? ? ? ? 184 ALA E CB 1 +ATOM 9389 N N . GLY E 1 186 ? 47.803 5.963 118.248 1.00 26.03 ? ? ? ? ? ? 185 GLY E N 1 +ATOM 9390 C CA . GLY E 1 186 ? 48.595 4.962 118.946 1.00 24.79 ? ? ? ? ? ? 185 GLY E CA 1 +ATOM 9391 C C . GLY E 1 186 ? 47.814 3.655 119.104 1.00 25.14 ? ? ? ? ? ? 185 GLY E C 1 +ATOM 9392 O O . GLY E 1 186 ? 46.661 3.561 118.707 1.00 24.47 ? ? ? ? ? ? 185 GLY E O 1 +ATOM 9393 N N . ASP E 1 187 ? 48.466 2.650 119.680 1.00 26.18 ? ? ? ? ? ? 186 ASP E N 1 +ATOM 9394 C CA . ASP E 1 187 ? 47.876 1.316 119.886 1.00 27.41 ? ? ? ? ? ? 186 ASP E CA 1 +ATOM 9395 C C . ASP E 1 187 ? 46.823 1.234 120.961 1.00 27.28 ? ? ? ? ? ? 186 ASP E C 1 +ATOM 9396 O O . ASP E 1 187 ? 46.086 0.276 121.022 1.00 27.20 ? ? ? ? ? ? 186 ASP E O 1 +ATOM 9397 C CB . ASP E 1 187 ? 48.973 0.310 120.235 1.00 29.40 ? ? ? ? ? ? 186 ASP E CB 1 +ATOM 9398 C CG . ASP E 1 187 ? 49.807 -0.079 119.028 1.00 33.65 ? ? ? ? ? ? 186 ASP E CG 1 +ATOM 9399 O OD1 . ASP E 1 187 ? 49.537 0.445 117.916 1.00 39.59 ? ? ? ? ? ? 186 ASP E OD1 1 +ATOM 9400 O OD2 . ASP E 1 187 ? 50.730 -0.909 119.190 1.00 43.74 ? ? ? ? ? ? 186 ASP E OD2 1 +ATOM 9401 N N . GLY E 1 188 ? 46.760 2.227 121.835 1.00 27.40 ? ? ? ? ? ? 187 GLY E N 1 +ATOM 9402 C CA . GLY E 1 188 ? 45.807 2.199 122.925 1.00 26.84 ? ? ? ? ? ? 187 GLY E CA 1 +ATOM 9403 C C . GLY E 1 188 ? 46.004 1.052 123.900 1.00 26.94 ? ? ? ? ? ? 187 GLY E C 1 +ATOM 9404 O O . GLY E 1 188 ? 45.007 0.525 124.410 1.00 25.95 ? ? ? ? ? ? 187 GLY E O 1 +ATOM 9405 N N . GLU E 1 189 ? 47.265 0.680 124.170 1.00 27.95 ? ? ? ? ? ? 188 GLU E N 1 +ATOM 9406 C CA . GLU E 1 189 ? 47.582 -0.375 125.137 1.00 30.36 ? ? ? ? ? ? 188 GLU E CA 1 +ATOM 9407 C C . GLU E 1 189 ? 47.095 0.027 126.524 1.00 30.59 ? ? ? ? ? ? 188 GLU E C 1 +ATOM 9408 O O . GLU E 1 189 ? 47.202 1.194 126.915 1.00 30.18 ? ? ? ? ? ? 188 GLU E O 1 +ATOM 9409 C CB . GLU E 1 189 ? 49.087 -0.702 125.172 1.00 30.53 ? ? ? ? ? ? 188 GLU E CB 1 +ATOM 9410 N N . SER E 1 190 ? 46.534 -0.938 127.249 1.00 31.55 ? ? ? ? ? ? 189 SER E N 1 +ATOM 9411 C CA . SER E 1 190 ? 45.994 -0.691 128.576 1.00 32.66 ? ? ? ? ? ? 189 SER E CA 1 +ATOM 9412 C C . SER E 1 190 ? 46.531 -1.716 129.586 1.00 33.75 ? ? ? ? ? ? 189 SER E C 1 +ATOM 9413 O O . SER E 1 190 ? 46.849 -2.840 129.220 1.00 34.57 ? ? ? ? ? ? 189 SER E O 1 +ATOM 9414 C CB . SER E 1 190 ? 44.459 -0.666 128.552 1.00 32.31 ? ? ? ? ? ? 189 SER E CB 1 +ATOM 9415 O OG . SER E 1 190 ? 43.902 -1.916 128.139 1.00 38.69 ? ? ? ? ? ? 189 SER E OG 1 +ATOM 9416 N N . LYS E 1 191 ? 46.673 -1.295 130.844 1.00 32.54 ? ? ? ? ? ? 190 LYS E N 1 +ATOM 9417 C CA . LYS E 1 191 ? 47.206 -2.132 131.901 1.00 34.31 ? ? ? ? ? ? 190 LYS E CA 1 +ATOM 9418 C C . LYS E 1 191 ? 46.176 -2.367 132.996 1.00 31.76 ? ? ? ? ? ? 190 LYS E C 1 +ATOM 9419 O O . LYS E 1 191 ? 45.458 -1.454 133.375 1.00 30.70 ? ? ? ? ? ? 190 LYS E O 1 +ATOM 9420 C CB . LYS E 1 191 ? 48.465 -1.499 132.486 1.00 34.88 ? ? ? ? ? ? 190 LYS E CB 1 +ATOM 9421 C CG . LYS E 1 191 ? 49.560 -1.288 131.425 1.00 41.94 ? ? ? ? ? ? 190 LYS E CG 1 +ATOM 9422 C CD . LYS E 1 191 ? 50.999 -1.372 131.993 1.00 48.33 ? ? ? ? ? ? 190 LYS E CD 1 +ATOM 9423 C CE . LYS E 1 191 ? 51.250 -0.542 133.269 1.00 53.86 ? ? ? ? ? ? 190 LYS E CE 1 +ATOM 9424 N NZ . LYS E 1 191 ? 52.587 -0.918 133.868 1.00 54.44 ? ? ? ? ? ? 190 LYS E NZ 1 +ATOM 9425 N N . PRO E 1 192 ? 46.089 -3.607 133.501 1.00 30.70 ? ? ? ? ? ? 191 PRO E N 1 +ATOM 9426 C CA . PRO E 1 192 ? 45.119 -3.921 134.555 1.00 29.55 ? ? ? ? ? ? 191 PRO E CA 1 +ATOM 9427 C C . PRO E 1 192 ? 45.557 -3.484 135.968 1.00 27.23 ? ? ? ? ? ? 191 PRO E C 1 +ATOM 9428 O O . PRO E 1 192 ? 46.701 -3.095 136.192 1.00 26.27 ? ? ? ? ? ? 191 PRO E O 1 +ATOM 9429 C CB . PRO E 1 192 ? 45.018 -5.450 134.474 1.00 30.64 ? ? ? ? ? ? 191 PRO E CB 1 +ATOM 9430 C CG . PRO E 1 192 ? 46.359 -5.871 134.044 1.00 29.97 ? ? ? ? ? ? 191 PRO E CG 1 +ATOM 9431 C CD . PRO E 1 192 ? 46.888 -4.788 133.137 1.00 28.86 ? ? ? ? ? ? 191 PRO E CD 1 +ATOM 9432 N N . PHE E 1 193 ? 44.628 -3.529 136.918 1.00 26.59 ? ? ? ? ? ? 192 PHE E N 1 +ATOM 9433 C CA . PHE E 1 193 ? 44.958 -3.290 138.317 1.00 25.58 ? ? ? ? ? ? 192 PHE E CA 1 +ATOM 9434 C C . PHE E 1 193 ? 45.846 -4.426 138.849 1.00 26.00 ? ? ? ? ? ? 192 PHE E C 1 +ATOM 9435 O O . PHE E 1 193 ? 45.826 -5.553 138.336 1.00 25.48 ? ? ? ? ? ? 192 PHE E O 1 +ATOM 9436 C CB . PHE E 1 193 ? 43.706 -3.262 139.211 1.00 24.80 ? ? ? ? ? ? 192 PHE E CB 1 +ATOM 9437 C CG . PHE E 1 193 ? 42.724 -2.171 138.891 1.00 23.25 ? ? ? ? ? ? 192 PHE E CG 1 +ATOM 9438 C CD1 . PHE E 1 193 ? 43.041 -0.832 139.096 1.00 19.44 ? ? ? ? ? ? 192 PHE E CD1 1 +ATOM 9439 C CD2 . PHE E 1 193 ? 41.482 -2.480 138.428 1.00 21.21 ? ? ? ? ? ? 192 PHE E CD2 1 +ATOM 9440 C CE1 . PHE E 1 193 ? 42.126 0.154 138.830 1.00 22.21 ? ? ? ? ? ? 192 PHE E CE1 1 +ATOM 9441 C CE2 . PHE E 1 193 ? 40.540 -1.473 138.144 1.00 23.63 ? ? ? ? ? ? 192 PHE E CE2 1 +ATOM 9442 C CZ . PHE E 1 193 ? 40.856 -0.174 138.352 1.00 20.59 ? ? ? ? ? ? 192 PHE E CZ 1 +ATOM 9443 N N . ALA E 1 194 ? 46.567 -4.116 139.928 1.00 26.08 ? ? ? ? ? ? 193 ALA E N 1 +ATOM 9444 C CA . ALA E 1 194 ? 47.350 -5.089 140.690 1.00 27.11 ? ? ? ? ? ? 193 ALA E CA 1 +ATOM 9445 C C . ALA E 1 194 ? 46.501 -5.896 141.676 1.00 27.98 ? ? ? ? ? ? 193 ALA E C 1 +ATOM 9446 O O . ALA E 1 194 ? 46.986 -6.857 142.263 1.00 29.60 ? ? ? ? ? ? 193 ALA E O 1 +ATOM 9447 C CB . ALA E 1 194 ? 48.457 -4.381 141.436 1.00 25.23 ? ? ? ? ? ? 193 ALA E CB 1 +ATOM 9448 N N . ILE E 1 195 ? 45.244 -5.508 141.859 1.00 27.89 ? ? ? ? ? ? 194 ILE E N 1 +ATOM 9449 C CA . ILE E 1 195 ? 44.331 -6.190 142.774 1.00 25.21 ? ? ? ? ? ? 194 ILE E CA 1 +ATOM 9450 C C . ILE E 1 195 ? 43.431 -7.048 141.904 1.00 26.31 ? ? ? ? ? ? 194 ILE E C 1 +ATOM 9451 O O . ILE E 1 195 ? 42.571 -6.521 141.229 1.00 26.57 ? ? ? ? ? ? 194 ILE E O 1 +ATOM 9452 C CB . ILE E 1 195 ? 43.508 -5.162 143.628 1.00 25.56 ? ? ? ? ? ? 194 ILE E CB 1 +ATOM 9453 C CG1 . ILE E 1 195 ? 44.444 -4.363 144.543 1.00 19.80 ? ? ? ? ? ? 194 ILE E CG1 1 +ATOM 9454 C CG2 . ILE E 1 195 ? 42.397 -5.868 144.421 1.00 23.06 ? ? ? ? ? ? 194 ILE E CG2 1 +ATOM 9455 C CD1 . ILE E 1 195 ? 43.829 -3.139 145.195 1.00 20.55 ? ? ? ? ? ? 194 ILE E CD1 1 +ATOM 9456 N N . ALA E 1 196 ? 43.666 -8.365 141.882 1.00 25.76 ? ? ? ? ? ? 195 ALA E N 1 +ATOM 9457 C CA . ALA E 1 196 ? 43.022 -9.244 140.907 1.00 25.02 ? ? ? ? ? ? 195 ALA E CA 1 +ATOM 9458 C C . ALA E 1 196 ? 41.509 -9.158 140.953 1.00 24.48 ? ? ? ? ? ? 195 ALA E C 1 +ATOM 9459 O O . ALA E 1 196 ? 40.863 -9.180 139.926 1.00 25.15 ? ? ? ? ? ? 195 ALA E O 1 +ATOM 9460 C CB . ALA E 1 196 ? 43.452 -10.701 141.128 1.00 25.29 ? ? ? ? ? ? 195 ALA E CB 1 +ATOM 9461 N N . SER E 1 197 ? 40.962 -9.128 142.163 1.00 24.14 ? ? ? ? ? ? 196 SER E N 1 +ATOM 9462 C CA . SER E 1 197 ? 39.500 -9.047 142.373 1.00 24.07 ? ? ? ? ? ? 196 SER E CA 1 +ATOM 9463 C C . SER E 1 197 ? 38.846 -7.868 141.639 1.00 23.35 ? ? ? ? ? ? 196 SER E C 1 +ATOM 9464 O O . SER E 1 197 ? 37.720 -7.998 141.171 1.00 22.97 ? ? ? ? ? ? 196 SER E O 1 +ATOM 9465 C CB . SER E 1 197 ? 39.184 -8.971 143.879 1.00 25.40 ? ? ? ? ? ? 196 SER E CB 1 +ATOM 9466 O OG . SER E 1 197 ? 39.554 -10.160 144.584 1.00 24.61 ? ? ? ? ? ? 196 SER E OG 1 +ATOM 9467 N N . LEU E 1 198 ? 39.547 -6.732 141.539 1.00 23.18 ? ? ? ? ? ? 197 LEU E N 1 +ATOM 9468 C CA . LEU E 1 198 ? 39.067 -5.572 140.750 1.00 24.11 ? ? ? ? ? ? 197 LEU E CA 1 +ATOM 9469 C C . LEU E 1 198 ? 39.023 -5.832 139.225 1.00 25.04 ? ? ? ? ? ? 197 LEU E C 1 +ATOM 9470 O O . LEU E 1 198 ? 38.125 -5.371 138.535 1.00 25.75 ? ? ? ? ? ? 197 LEU E O 1 +ATOM 9471 C CB . LEU E 1 198 ? 39.929 -4.338 141.041 1.00 23.35 ? ? ? ? ? ? 197 LEU E CB 1 +ATOM 9472 C CG . LEU E 1 198 ? 39.935 -3.798 142.474 1.00 22.90 ? ? ? ? ? ? 197 LEU E CG 1 +ATOM 9473 C CD1 . LEU E 1 198 ? 40.637 -2.436 142.554 1.00 18.57 ? ? ? ? ? ? 197 LEU E CD1 1 +ATOM 9474 C CD2 . LEU E 1 198 ? 38.510 -3.720 143.045 1.00 18.53 ? ? ? ? ? ? 197 LEU E CD2 1 +ATOM 9475 N N . ASN E 1 199 ? 39.998 -6.575 138.709 1.00 26.74 ? ? ? ? ? ? 198 ASN E N 1 +ATOM 9476 C CA . ASN E 1 199 ? 39.998 -7.004 137.315 1.00 27.26 ? ? ? ? ? ? 198 ASN E CA 1 +ATOM 9477 C C . ASN E 1 199 ? 38.895 -8.034 137.057 1.00 27.68 ? ? ? ? ? ? 198 ASN E C 1 +ATOM 9478 O O . ASN E 1 199 ? 38.343 -8.061 135.961 1.00 27.44 ? ? ? ? ? ? 198 ASN E O 1 +ATOM 9479 C CB . ASN E 1 199 ? 41.336 -7.619 136.915 1.00 26.93 ? ? ? ? ? ? 198 ASN E CB 1 +ATOM 9480 C CG . ASN E 1 199 ? 42.513 -6.701 137.140 1.00 24.42 ? ? ? ? ? ? 198 ASN E CG 1 +ATOM 9481 O OD1 . ASN E 1 199 ? 42.473 -5.490 136.861 1.00 22.28 ? ? ? ? ? ? 198 ASN E OD1 1 +ATOM 9482 N ND2 . ASN E 1 199 ? 43.595 -7.285 137.613 1.00 23.61 ? ? ? ? ? ? 198 ASN E ND2 1 +ATOM 9483 N N . GLU E 1 200 ? 38.579 -8.857 138.070 1.00 28.41 ? ? ? ? ? ? 199 GLU E N 1 +ATOM 9484 C CA . GLU E 1 200 ? 37.469 -9.841 138.028 1.00 30.85 ? ? ? ? ? ? 199 GLU E CA 1 +ATOM 9485 C C . GLU E 1 200 ? 36.092 -9.202 138.294 1.00 29.93 ? ? ? ? ? ? 199 GLU E C 1 +ATOM 9486 O O . GLU E 1 200 ? 35.066 -9.876 138.259 1.00 29.51 ? ? ? ? ? ? 199 GLU E O 1 +ATOM 9487 C CB . GLU E 1 200 ? 37.710 -10.979 139.036 1.00 30.52 ? ? ? ? ? ? 199 GLU E CB 1 +ATOM 9488 C CG . GLU E 1 200 ? 39.022 -11.808 138.816 1.00 36.77 ? ? ? ? ? ? 199 GLU E CG 1 +ATOM 9489 C CD . GLU E 1 200 ? 39.657 -12.411 140.134 1.00 39.31 ? ? ? ? ? ? 199 GLU E CD 1 +ATOM 9490 O OE1 . GLU E 1 200 ? 38.991 -12.504 141.199 1.00 45.89 ? ? ? ? ? ? 199 GLU E OE1 1 +ATOM 9491 O OE2 . GLU E 1 200 ? 40.858 -12.792 140.085 1.00 54.70 ? ? ? ? ? ? 199 GLU E OE2 1 +ATOM 9492 N N . LYS E 1 201 ? 36.088 -7.897 138.551 1.00 30.12 ? ? ? ? ? ? 200 LYS E N 1 +ATOM 9493 C CA . LYS E 1 201 ? 34.886 -7.094 138.755 1.00 29.98 ? ? ? ? ? ? 200 LYS E CA 1 +ATOM 9494 C C . LYS E 1 201 ? 34.091 -7.496 139.991 1.00 27.45 ? ? ? ? ? ? 200 LYS E C 1 +ATOM 9495 O O . LYS E 1 201 ? 32.857 -7.342 140.022 1.00 27.57 ? ? ? ? ? ? 200 LYS E O 1 +ATOM 9496 C CB . LYS E 1 201 ? 34.021 -7.077 137.481 1.00 31.25 ? ? ? ? ? ? 200 LYS E CB 1 +ATOM 9497 C CG . LYS E 1 201 ? 34.767 -6.537 136.263 1.00 34.45 ? ? ? ? ? ? 200 LYS E CG 1 +ATOM 9498 C CD . LYS E 1 201 ? 33.802 -6.197 135.116 1.00 38.45 ? ? ? ? ? ? 200 LYS E CD 1 +ATOM 9499 C CE . LYS E 1 201 ? 34.409 -5.178 134.116 1.00 48.43 ? ? ? ? ? ? 200 LYS E CE 1 +ATOM 9500 N NZ . LYS E 1 201 ? 35.796 -5.535 133.702 1.00 53.19 ? ? ? ? ? ? 200 LYS E NZ 1 +ATOM 9501 N N . VAL E 1 202 ? 34.788 -7.969 141.024 1.00 24.82 ? ? ? ? ? ? 201 VAL E N 1 +ATOM 9502 C CA . VAL E 1 202 ? 34.147 -8.211 142.334 1.00 24.27 ? ? ? ? ? ? 201 VAL E CA 1 +ATOM 9503 C C . VAL E 1 202 ? 33.637 -6.845 142.927 1.00 24.01 ? ? ? ? ? ? 201 VAL E C 1 +ATOM 9504 O O . VAL E 1 202 ? 32.546 -6.746 143.503 1.00 23.01 ? ? ? ? ? ? 201 VAL E O 1 +ATOM 9505 C CB . VAL E 1 202 ? 35.117 -8.991 143.301 1.00 24.16 ? ? ? ? ? ? 201 VAL E CB 1 +ATOM 9506 C CG1 . VAL E 1 202 ? 34.545 -9.154 144.721 1.00 19.97 ? ? ? ? ? ? 201 VAL E CG1 1 +ATOM 9507 C CG2 . VAL E 1 202 ? 35.422 -10.379 142.732 1.00 18.80 ? ? ? ? ? ? 201 VAL E CG2 1 +ATOM 9508 N N . ALA E 1 203 ? 34.441 -5.809 142.717 1.00 22.28 ? ? ? ? ? ? 202 ALA E N 1 +ATOM 9509 C CA . ALA E 1 203 ? 34.167 -4.460 143.122 1.00 21.25 ? ? ? ? ? ? 202 ALA E CA 1 +ATOM 9510 C C . ALA E 1 203 ? 34.740 -3.534 142.028 1.00 22.15 ? ? ? ? ? ? 202 ALA E C 1 +ATOM 9511 O O . ALA E 1 203 ? 35.532 -3.971 141.175 1.00 22.34 ? ? ? ? ? ? 202 ALA E O 1 +ATOM 9512 C CB . ALA E 1 203 ? 34.824 -4.172 144.515 1.00 16.11 ? ? ? ? ? ? 202 ALA E CB 1 +ATOM 9513 N N . TRP E 1 204 ? 34.309 -2.277 142.049 1.00 22.19 ? ? ? ? ? ? 203 TRP E N 1 +ATOM 9514 C CA . TRP E 1 204 ? 34.687 -1.274 141.068 1.00 20.70 ? ? ? ? ? ? 203 TRP E CA 1 +ATOM 9515 C C . TRP E 1 204 ? 35.543 -0.197 141.712 1.00 20.28 ? ? ? ? ? ? 203 TRP E C 1 +ATOM 9516 O O . TRP E 1 204 ? 35.267 0.276 142.834 1.00 18.70 ? ? ? ? ? ? 203 TRP E O 1 +ATOM 9517 C CB . TRP E 1 204 ? 33.437 -0.635 140.452 1.00 20.91 ? ? ? ? ? ? 203 TRP E CB 1 +ATOM 9518 C CG . TRP E 1 204 ? 33.711 0.484 139.482 1.00 21.88 ? ? ? ? ? ? 203 TRP E CG 1 +ATOM 9519 C CD1 . TRP E 1 204 ? 33.863 0.380 138.131 1.00 23.31 ? ? ? ? ? ? 203 TRP E CD1 1 +ATOM 9520 C CD2 . TRP E 1 204 ? 33.796 1.891 139.781 1.00 21.08 ? ? ? ? ? ? 203 TRP E CD2 1 +ATOM 9521 N NE1 . TRP E 1 204 ? 34.078 1.604 137.582 1.00 20.66 ? ? ? ? ? ? 203 TRP E NE1 1 +ATOM 9522 C CE2 . TRP E 1 204 ? 34.049 2.554 138.562 1.00 21.96 ? ? ? ? ? ? 203 TRP E CE2 1 +ATOM 9523 C CE3 . TRP E 1 204 ? 33.697 2.648 140.963 1.00 18.60 ? ? ? ? ? ? 203 TRP E CE3 1 +ATOM 9524 C CZ2 . TRP E 1 204 ? 34.197 3.937 138.480 1.00 23.56 ? ? ? ? ? ? 203 TRP E CZ2 1 +ATOM 9525 C CZ3 . TRP E 1 204 ? 33.854 4.013 140.883 1.00 23.24 ? ? ? ? ? ? 203 TRP E CZ3 1 +ATOM 9526 C CH2 . TRP E 1 204 ? 34.096 4.651 139.653 1.00 22.36 ? ? ? ? ? ? 203 TRP E CH2 1 +ATOM 9527 N N . VAL E 1 205 ? 36.583 0.174 140.983 1.00 19.68 ? ? ? ? ? ? 204 VAL E N 1 +ATOM 9528 C CA . VAL E 1 205 ? 37.449 1.318 141.266 1.00 20.42 ? ? ? ? ? ? 204 VAL E CA 1 +ATOM 9529 C C . VAL E 1 205 ? 37.707 1.928 139.890 1.00 21.87 ? ? ? ? ? ? 204 VAL E C 1 +ATOM 9530 O O . VAL E 1 205 ? 37.914 1.170 138.932 1.00 21.31 ? ? ? ? ? ? 204 VAL E O 1 +ATOM 9531 C CB . VAL E 1 205 ? 38.796 0.854 141.858 1.00 19.91 ? ? ? ? ? ? 204 VAL E CB 1 +ATOM 9532 C CG1 . VAL E 1 205 ? 39.885 1.932 141.777 1.00 19.86 ? ? ? ? ? ? 204 VAL E CG1 1 +ATOM 9533 C CG2 . VAL E 1 205 ? 38.609 0.378 143.289 1.00 22.10 ? ? ? ? ? ? 204 VAL E CG2 1 +ATOM 9534 N N . PRO E 1 206 ? 37.739 3.282 139.787 1.00 21.58 ? ? ? ? ? ? 205 PRO E N 1 +ATOM 9535 C CA . PRO E 1 206 ? 38.013 3.860 138.472 1.00 22.25 ? ? ? ? ? ? 205 PRO E CA 1 +ATOM 9536 C C . PRO E 1 206 ? 39.444 3.560 138.043 1.00 22.71 ? ? ? ? ? ? 205 PRO E C 1 +ATOM 9537 O O . PRO E 1 206 ? 40.356 3.590 138.872 1.00 22.95 ? ? ? ? ? ? 205 PRO E O 1 +ATOM 9538 C CB . PRO E 1 206 ? 37.810 5.368 138.687 1.00 22.41 ? ? ? ? ? ? 205 PRO E CB 1 +ATOM 9539 C CG . PRO E 1 206 ? 38.017 5.600 140.149 1.00 23.23 ? ? ? ? ? ? 205 PRO E CG 1 +ATOM 9540 C CD . PRO E 1 206 ? 37.587 4.318 140.834 1.00 20.19 ? ? ? ? ? ? 205 PRO E CD 1 +ATOM 9541 N N . ARG E 1 207 ? 39.611 3.254 136.764 1.00 23.49 ? ? ? ? ? ? 206 ARG E N 1 +ATOM 9542 C CA . ARG E 1 207 ? 40.911 3.129 136.127 1.00 25.38 ? ? ? ? ? ? 206 ARG E CA 1 +ATOM 9543 C C . ARG E 1 207 ? 41.693 4.456 136.255 1.00 22.43 ? ? ? ? ? ? 206 ARG E C 1 +ATOM 9544 O O . ARG E 1 207 ? 41.156 5.522 136.029 1.00 21.52 ? ? ? ? ? ? 206 ARG E O 1 +ATOM 9545 C CB . ARG E 1 207 ? 40.708 2.762 134.651 1.00 24.97 ? ? ? ? ? ? 206 ARG E CB 1 +ATOM 9546 C CG . ARG E 1 207 ? 41.998 2.491 133.876 1.00 30.83 ? ? ? ? ? ? 206 ARG E CG 1 +ATOM 9547 C CD . ARG E 1 207 ? 41.793 2.492 132.302 1.00 33.35 ? ? ? ? ? ? 206 ARG E CD 1 +ATOM 9548 N NE . ARG E 1 207 ? 40.949 1.399 131.776 1.00 42.15 ? ? ? ? ? ? 206 ARG E NE 1 +ATOM 9549 C CZ . ARG E 1 207 ? 41.334 0.121 131.629 1.00 47.96 ? ? ? ? ? ? 206 ARG E CZ 1 +ATOM 9550 N NH1 . ARG E 1 207 ? 42.552 -0.296 131.986 1.00 45.70 ? ? ? ? ? ? 206 ARG E NH1 1 +ATOM 9551 N NH2 . ARG E 1 207 ? 40.480 -0.763 131.124 1.00 46.17 ? ? ? ? ? ? 206 ARG E NH2 1 +ATOM 9552 N N . HIS E 1 208 ? 42.955 4.370 136.640 1.00 22.41 ? ? ? ? ? ? 207 HIS E N 1 +ATOM 9553 C CA . HIS E 1 208 ? 43.813 5.525 136.714 1.00 22.41 ? ? ? ? ? ? 207 HIS E CA 1 +ATOM 9554 C C . HIS E 1 208 ? 44.525 5.619 135.357 1.00 24.30 ? ? ? ? ? ? 207 HIS E C 1 +ATOM 9555 O O . HIS E 1 208 ? 45.255 4.719 134.990 1.00 23.39 ? ? ? ? ? ? 207 HIS E O 1 +ATOM 9556 C CB . HIS E 1 208 ? 44.808 5.375 137.871 1.00 20.71 ? ? ? ? ? ? 207 HIS E CB 1 +ATOM 9557 C CG . HIS E 1 208 ? 44.184 5.498 139.227 1.00 20.50 ? ? ? ? ? ? 207 HIS E CG 1 +ATOM 9558 N ND1 . HIS E 1 208 ? 44.776 6.178 140.257 1.00 22.37 ? ? ? ? ? ? 207 HIS E ND1 1 +ATOM 9559 C CD2 . HIS E 1 208 ? 43.000 5.047 139.712 1.00 20.35 ? ? ? ? ? ? 207 HIS E CD2 1 +ATOM 9560 C CE1 . HIS E 1 208 ? 44.002 6.136 141.324 1.00 20.09 ? ? ? ? ? ? 207 HIS E CE1 1 +ATOM 9561 N NE2 . HIS E 1 208 ? 42.918 5.446 141.023 1.00 22.45 ? ? ? ? ? ? 207 HIS E NE2 1 +ATOM 9562 N N . TRP E 1 209 ? 44.292 6.712 134.633 1.00 24.12 ? ? ? ? ? ? 208 TRP E N 1 +ATOM 9563 C CA . TRP E 1 209 ? 44.733 6.855 133.245 1.00 24.36 ? ? ? ? ? ? 208 TRP E CA 1 +ATOM 9564 C C . TRP E 1 209 ? 46.243 6.945 133.128 1.00 25.51 ? ? ? ? ? ? 208 TRP E C 1 +ATOM 9565 O O . TRP E 1 209 ? 46.809 6.476 132.155 1.00 25.81 ? ? ? ? ? ? 208 TRP E O 1 +ATOM 9566 C CB . TRP E 1 209 ? 44.070 8.082 132.577 1.00 23.50 ? ? ? ? ? ? 208 TRP E CB 1 +ATOM 9567 C CG . TRP E 1 209 ? 43.200 7.763 131.377 1.00 24.33 ? ? ? ? ? ? 208 TRP E CG 1 +ATOM 9568 C CD1 . TRP E 1 209 ? 43.455 8.089 130.062 1.00 25.45 ? ? ? ? ? ? 208 TRP E CD1 1 +ATOM 9569 C CD2 . TRP E 1 209 ? 41.959 7.065 131.373 1.00 25.55 ? ? ? ? ? ? 208 TRP E CD2 1 +ATOM 9570 N NE1 . TRP E 1 209 ? 42.441 7.646 129.253 1.00 24.27 ? ? ? ? ? ? 208 TRP E NE1 1 +ATOM 9571 C CE2 . TRP E 1 209 ? 41.516 7.000 130.022 1.00 25.74 ? ? ? ? ? ? 208 TRP E CE2 1 +ATOM 9572 C CE3 . TRP E 1 209 ? 41.163 6.501 132.371 1.00 25.22 ? ? ? ? ? ? 208 TRP E CE3 1 +ATOM 9573 C CZ2 . TRP E 1 209 ? 40.343 6.376 129.653 1.00 23.61 ? ? ? ? ? ? 208 TRP E CZ2 1 +ATOM 9574 C CZ3 . TRP E 1 209 ? 39.987 5.878 131.999 1.00 26.37 ? ? ? ? ? ? 208 TRP E CZ3 1 +ATOM 9575 C CH2 . TRP E 1 209 ? 39.579 5.835 130.649 1.00 30.19 ? ? ? ? ? ? 208 TRP E CH2 1 +ATOM 9576 N N . ASP E 1 210 ? 46.880 7.560 134.111 1.00 25.84 ? ? ? ? ? ? 209 ASP E N 1 +ATOM 9577 C CA . ASP E 1 210 ? 48.334 7.689 134.144 1.00 28.12 ? ? ? ? ? ? 209 ASP E CA 1 +ATOM 9578 C C . ASP E 1 210 ? 49.036 6.350 134.390 1.00 29.26 ? ? ? ? ? ? 209 ASP E C 1 +ATOM 9579 O O . ASP E 1 210 ? 50.150 6.184 133.948 1.00 29.67 ? ? ? ? ? ? 209 ASP E O 1 +ATOM 9580 C CB . ASP E 1 210 ? 48.787 8.707 135.186 1.00 28.56 ? ? ? ? ? ? 209 ASP E CB 1 +ATOM 9581 C CG . ASP E 1 210 ? 48.339 8.353 136.591 1.00 31.89 ? ? ? ? ? ? 209 ASP E CG 1 +ATOM 9582 O OD1 . ASP E 1 210 ? 47.170 7.921 136.762 1.00 30.26 ? ? ? ? ? ? 209 ASP E OD1 1 +ATOM 9583 O OD2 . ASP E 1 210 ? 49.151 8.520 137.520 1.00 34.29 ? ? ? ? ? ? 209 ASP E OD2 1 +ATOM 9584 N N . LYS E 1 211 ? 48.388 5.393 135.056 1.00 29.59 ? ? ? ? ? ? 210 LYS E N 1 +ATOM 9585 C CA . LYS E 1 211 ? 48.968 4.058 135.239 1.00 29.76 ? ? ? ? ? ? 210 LYS E CA 1 +ATOM 9586 C C . LYS E 1 211 ? 48.522 3.036 134.175 1.00 29.97 ? ? ? ? ? ? 210 LYS E C 1 +ATOM 9587 O O . LYS E 1 211 ? 49.249 2.084 133.854 1.00 31.09 ? ? ? ? ? ? 210 LYS E O 1 +ATOM 9588 C CB . LYS E 1 211 ? 48.600 3.510 136.609 1.00 30.31 ? ? ? ? ? ? 210 LYS E CB 1 +ATOM 9589 C CG . LYS E 1 211 ? 48.787 4.477 137.768 1.00 32.12 ? ? ? ? ? ? 210 LYS E CG 1 +ATOM 9590 C CD . LYS E 1 211 ? 50.230 4.827 138.028 1.00 39.16 ? ? ? ? ? ? 210 LYS E CD 1 +ATOM 9591 C CE . LYS E 1 211 ? 50.427 5.292 139.484 1.00 43.77 ? ? ? ? ? ? 210 LYS E CE 1 +ATOM 9592 N NZ . LYS E 1 211 ? 49.268 6.047 140.009 1.00 50.58 ? ? ? ? ? ? 210 LYS E NZ 1 +ATOM 9593 N N . ALA E 1 212 ? 47.322 3.235 133.635 1.00 29.17 ? ? ? ? ? ? 211 ALA E N 1 +ATOM 9594 C CA . ALA E 1 212 ? 46.636 2.210 132.833 1.00 29.08 ? ? ? ? ? ? 211 ALA E CA 1 +ATOM 9595 C C . ALA E 1 212 ? 46.752 2.408 131.314 1.00 30.24 ? ? ? ? ? ? 211 ALA E C 1 +ATOM 9596 O O . ALA E 1 212 ? 46.484 1.499 130.573 1.00 31.81 ? ? ? ? ? ? 211 ALA E O 1 +ATOM 9597 C CB . ALA E 1 212 ? 45.181 2.145 133.214 1.00 26.60 ? ? ? ? ? ? 211 ALA E CB 1 +ATOM 9598 N N . THR E 1 213 ? 47.102 3.598 130.855 1.00 30.34 ? ? ? ? ? ? 212 THR E N 1 +ATOM 9599 C CA . THR E 1 213 ? 47.127 3.886 129.430 1.00 29.75 ? ? ? ? ? ? 212 THR E CA 1 +ATOM 9600 C C . THR E 1 213 ? 48.438 4.607 129.109 1.00 32.41 ? ? ? ? ? ? 212 THR E C 1 +ATOM 9601 O O . THR E 1 213 ? 49.122 5.068 130.019 1.00 34.88 ? ? ? ? ? ? 212 THR E O 1 +ATOM 9602 C CB . THR E 1 213 ? 45.926 4.759 129.013 1.00 28.56 ? ? ? ? ? ? 212 THR E CB 1 +ATOM 9603 O OG1 . THR E 1 213 ? 46.187 6.104 129.405 1.00 27.03 ? ? ? ? ? ? 212 THR E OG1 1 +ATOM 9604 C CG2 . THR E 1 213 ? 44.618 4.283 129.681 1.00 21.48 ? ? ? ? ? ? 212 THR E CG2 1 +ATOM 9605 N N . VAL E 1 214 ? 48.775 4.667 127.818 1.00 32.73 ? ? ? ? ? ? 213 VAL E N 1 +ATOM 9606 C CA . VAL E 1 214 ? 50.013 5.278 127.334 1.00 33.29 ? ? ? ? ? ? 213 VAL E CA 1 +ATOM 9607 C C . VAL E 1 214 ? 49.676 6.523 126.518 1.00 31.30 ? ? ? ? ? ? 213 VAL E C 1 +ATOM 9608 O O . VAL E 1 214 ? 50.191 7.609 126.786 1.00 31.87 ? ? ? ? ? ? 213 VAL E O 1 +ATOM 9609 C CB . VAL E 1 214 ? 50.776 4.275 126.455 1.00 35.03 ? ? ? ? ? ? 213 VAL E CB 1 +ATOM 9610 C CG1 . VAL E 1 214 ? 52.080 4.895 125.918 1.00 37.73 ? ? ? ? ? ? 213 VAL E CG1 1 +ATOM 9611 C CG2 . VAL E 1 214 ? 51.035 2.987 127.233 1.00 35.81 ? ? ? ? ? ? 213 VAL E CG2 1 +ATOM 9612 N N . ASP E 1 215 ? 48.769 6.362 125.560 1.00 29.11 ? ? ? ? ? ? 214 ASP E N 1 +ATOM 9613 C CA . ASP E 1 215 ? 48.360 7.440 124.644 1.00 29.20 ? ? ? ? ? ? 214 ASP E CA 1 +ATOM 9614 C C . ASP E 1 215 ? 46.960 8.059 124.970 1.00 27.43 ? ? ? ? ? ? 214 ASP E C 1 +ATOM 9615 O O . ASP E 1 215 ? 46.475 8.928 124.256 1.00 25.71 ? ? ? ? ? ? 214 ASP E O 1 +ATOM 9616 C CB . ASP E 1 215 ? 48.454 6.938 123.176 1.00 30.71 ? ? ? ? ? ? 214 ASP E CB 1 +ATOM 9617 C CG . ASP E 1 215 ? 47.680 5.627 122.919 1.00 33.66 ? ? ? ? ? ? 214 ASP E CG 1 +ATOM 9618 O OD1 . ASP E 1 215 ? 46.562 5.467 123.465 1.00 32.46 ? ? ? ? ? ? 214 ASP E OD1 1 +ATOM 9619 O OD2 . ASP E 1 215 ? 48.194 4.765 122.151 1.00 31.31 ? ? ? ? ? ? 214 ASP E OD2 1 +ATOM 9620 N N . SER E 1 216 ? 46.374 7.601 126.080 1.00 26.07 ? ? ? ? ? ? 215 SER E N 1 +ATOM 9621 C CA . SER E 1 216 ? 45.046 7.964 126.576 1.00 25.37 ? ? ? ? ? ? 215 SER E CA 1 +ATOM 9622 C C . SER E 1 216 ? 43.912 7.137 125.958 1.00 25.47 ? ? ? ? ? ? 215 SER E C 1 +ATOM 9623 O O . SER E 1 216 ? 42.782 7.269 126.383 1.00 26.66 ? ? ? ? ? ? 215 SER E O 1 +ATOM 9624 C CB . SER E 1 216 ? 44.739 9.475 126.448 1.00 22.29 ? ? ? ? ? ? 215 SER E CB 1 +ATOM 9625 O OG . SER E 1 216 ? 44.170 9.785 125.193 1.00 19.52 ? ? ? ? ? ? 215 SER E OG 1 +ATOM 9626 N N . GLY E 1 217 ? 44.196 6.321 124.947 1.00 23.68 ? ? ? ? ? ? 216 GLY E N 1 +ATOM 9627 C CA . GLY E 1 217 ? 43.184 5.410 124.402 1.00 22.76 ? ? ? ? ? ? 216 GLY E CA 1 +ATOM 9628 C C . GLY E 1 217 ? 43.127 4.100 125.178 1.00 22.50 ? ? ? ? ? ? 216 GLY E C 1 +ATOM 9629 O O . GLY E 1 217 ? 44.101 3.712 125.831 1.00 21.81 ? ? ? ? ? ? 216 GLY E O 1 +ATOM 9630 N N . VAL E 1 218 ? 41.965 3.448 125.152 1.00 23.12 ? ? ? ? ? ? 217 VAL E N 1 +ATOM 9631 C CA . VAL E 1 218 ? 41.829 2.086 125.664 1.00 23.84 ? ? ? ? ? ? 217 VAL E CA 1 +ATOM 9632 C C . VAL E 1 218 ? 41.275 1.227 124.528 1.00 24.53 ? ? ? ? ? ? 217 VAL E C 1 +ATOM 9633 O O . VAL E 1 218 ? 40.054 1.195 124.261 1.00 23.88 ? ? ? ? ? ? 217 VAL E O 1 +ATOM 9634 C CB . VAL E 1 218 ? 40.921 1.977 126.898 1.00 23.12 ? ? ? ? ? ? 217 VAL E CB 1 +ATOM 9635 C CG1 . VAL E 1 218 ? 41.040 0.574 127.489 1.00 20.73 ? ? ? ? ? ? 217 VAL E CG1 1 +ATOM 9636 C CG2 . VAL E 1 218 ? 41.288 3.009 127.935 1.00 23.12 ? ? ? ? ? ? 217 VAL E CG2 1 +ATOM 9637 N N . GLY E 1 219 ? 42.187 0.558 123.836 1.00 24.92 ? ? ? ? ? ? 218 GLY E N 1 +ATOM 9638 C CA . GLY E 1 219 ? 41.821 -0.276 122.725 1.00 25.86 ? ? ? ? ? ? 218 GLY E CA 1 +ATOM 9639 C C . GLY E 1 219 ? 42.477 0.135 121.427 1.00 26.53 ? ? ? ? ? ? 218 GLY E C 1 +ATOM 9640 O O . GLY E 1 219 ? 42.629 1.328 121.145 1.00 26.27 ? ? ? ? ? ? 218 GLY E O 1 +ATOM 9641 N N . ASN E 1 220 ? 42.851 -0.854 120.621 1.00 27.15 ? ? ? ? ? ? 219 ASN E N 1 +ATOM 9642 C CA . ASN E 1 220 ? 43.518 -0.568 119.350 1.00 26.81 ? ? ? ? ? ? 219 ASN E CA 1 +ATOM 9643 C C . ASN E 1 220 ? 42.504 -0.156 118.271 1.00 24.50 ? ? ? ? ? ? 219 ASN E C 1 +ATOM 9644 O O . ASN E 1 220 ? 41.609 -0.927 117.945 1.00 25.33 ? ? ? ? ? ? 219 ASN E O 1 +ATOM 9645 C CB . ASN E 1 220 ? 44.359 -1.772 118.890 1.00 27.43 ? ? ? ? ? ? 219 ASN E CB 1 +ATOM 9646 C CG . ASN E 1 220 ? 45.367 -1.397 117.826 1.00 28.20 ? ? ? ? ? ? 219 ASN E CG 1 +ATOM 9647 O OD1 . ASN E 1 220 ? 45.146 -0.474 117.056 1.00 28.76 ? ? ? ? ? ? 219 ASN E OD1 1 +ATOM 9648 N ND2 . ASN E 1 220 ? 46.479 -2.110 117.781 1.00 24.76 ? ? ? ? ? ? 219 ASN E ND2 1 +ATOM 9649 N N . PRO E 1 221 ? 42.633 1.083 117.738 1.00 23.60 ? ? ? ? ? ? 220 PRO E N 1 +ATOM 9650 C CA . PRO E 1 221 ? 41.693 1.557 116.734 1.00 25.00 ? ? ? ? ? ? 220 PRO E CA 1 +ATOM 9651 C C . PRO E 1 221 ? 42.044 1.240 115.256 1.00 25.93 ? ? ? ? ? ? 220 PRO E C 1 +ATOM 9652 O O . PRO E 1 221 ? 41.306 1.675 114.366 1.00 24.16 ? ? ? ? ? ? 220 PRO E O 1 +ATOM 9653 C CB . PRO E 1 221 ? 41.750 3.077 116.946 1.00 24.99 ? ? ? ? ? ? 220 PRO E CB 1 +ATOM 9654 C CG . PRO E 1 221 ? 43.171 3.358 117.254 1.00 21.90 ? ? ? ? ? ? 220 PRO E CG 1 +ATOM 9655 C CD . PRO E 1 221 ? 43.618 2.136 118.092 1.00 23.43 ? ? ? ? ? ? 220 PRO E CD 1 +ATOM 9656 N N . LYS E 1 222 ? 43.155 0.517 115.016 1.00 27.57 ? ? ? ? ? ? 221 LYS E N 1 +ATOM 9657 C CA . LYS E 1 222 ? 43.785 0.376 113.667 1.00 29.03 ? ? ? ? ? ? 221 LYS E CA 1 +ATOM 9658 C C . LYS E 1 222 ? 42.915 -0.194 112.559 1.00 27.16 ? ? ? ? ? ? 221 LYS E C 1 +ATOM 9659 O O . LYS E 1 222 ? 43.125 0.095 111.382 1.00 27.42 ? ? ? ? ? ? 221 LYS E O 1 +ATOM 9660 C CB . LYS E 1 222 ? 45.095 -0.448 113.737 1.00 32.37 ? ? ? ? ? ? 221 LYS E CB 1 +ATOM 9661 C CG . LYS E 1 222 ? 44.926 -1.979 113.927 1.00 36.70 ? ? ? ? ? ? 221 LYS E CG 1 +ATOM 9662 C CD . LYS E 1 222 ? 46.253 -2.681 114.321 1.00 35.95 ? ? ? ? ? ? 221 LYS E CD 1 +ATOM 9663 C CE . LYS E 1 222 ? 46.036 -4.164 114.666 1.00 43.07 ? ? ? ? ? ? 221 LYS E CE 1 +ATOM 9664 N NZ . LYS E 1 222 ? 47.330 -4.898 114.883 1.00 46.39 ? ? ? ? ? ? 221 LYS E NZ 1 +ATOM 9665 N N . LYS E 1 223 ? 41.956 -1.033 112.919 1.00 27.08 ? ? ? ? ? ? 222 LYS E N 1 +ATOM 9666 C CA . LYS E 1 223 ? 41.059 -1.638 111.923 1.00 26.65 ? ? ? ? ? ? 222 LYS E CA 1 +ATOM 9667 C C . LYS E 1 223 ? 39.791 -0.834 111.704 1.00 25.02 ? ? ? ? ? ? 222 LYS E C 1 +ATOM 9668 O O . LYS E 1 223 ? 38.876 -1.303 111.036 1.00 24.59 ? ? ? ? ? ? 222 LYS E O 1 +ATOM 9669 C CB . LYS E 1 223 ? 40.727 -3.075 112.337 1.00 27.60 ? ? ? ? ? ? 222 LYS E CB 1 +ATOM 9670 C CG . LYS E 1 223 ? 42.014 -3.818 112.733 1.00 34.65 ? ? ? ? ? ? 222 LYS E CG 1 +ATOM 9671 C CD . LYS E 1 223 ? 42.001 -5.272 112.413 1.00 44.24 ? ? ? ? ? ? 222 LYS E CD 1 +ATOM 9672 C CE . LYS E 1 223 ? 43.413 -5.868 112.308 1.00 48.50 ? ? ? ? ? ? 222 LYS E CE 1 +ATOM 9673 N NZ . LYS E 1 223 ? 43.556 -6.553 110.990 1.00 51.98 ? ? ? ? ? ? 222 LYS E NZ 1 +ATOM 9674 N N . ALA E 1 224 ? 39.722 0.371 112.275 1.00 24.38 ? ? ? ? ? ? 223 ALA E N 1 +ATOM 9675 C CA . ALA E 1 224 ? 38.539 1.228 112.127 1.00 22.82 ? ? ? ? ? ? 223 ALA E CA 1 +ATOM 9676 C C . ALA E 1 224 ? 38.396 1.667 110.689 1.00 22.95 ? ? ? ? ? ? 223 ALA E C 1 +ATOM 9677 O O . ALA E 1 224 ? 39.393 1.992 110.043 1.00 22.37 ? ? ? ? ? ? 223 ALA E O 1 +ATOM 9678 C CB . ALA E 1 224 ? 38.617 2.466 113.020 1.00 20.95 ? ? ? ? ? ? 223 ALA E CB 1 +ATOM 9679 N N . THR E 1 225 ? 37.153 1.672 110.202 1.00 22.14 ? ? ? ? ? ? 224 THR E N 1 +ATOM 9680 C CA . THR E 1 225 ? 36.828 2.273 108.899 1.00 22.47 ? ? ? ? ? ? 224 THR E CA 1 +ATOM 9681 C C . THR E 1 225 ? 35.519 3.025 108.956 1.00 22.05 ? ? ? ? ? ? 224 THR E C 1 +ATOM 9682 O O . THR E 1 225 ? 34.648 2.733 109.778 1.00 21.80 ? ? ? ? ? ? 224 THR E O 1 +ATOM 9683 C CB . THR E 1 225 ? 36.651 1.198 107.775 1.00 24.24 ? ? ? ? ? ? 224 THR E CB 1 +ATOM 9684 O OG1 . THR E 1 225 ? 35.438 0.469 107.994 1.00 22.51 ? ? ? ? ? ? 224 THR E OG1 1 +ATOM 9685 C CG2 . THR E 1 225 ? 37.851 0.250 107.735 1.00 22.46 ? ? ? ? ? ? 224 THR E CG2 1 +ATOM 9686 N N . ALA E 1 226 ? 35.352 3.941 108.018 1.00 21.71 ? ? ? ? ? ? 225 ALA E N 1 +ATOM 9687 C CA . ALA E 1 226 ? 34.104 4.669 107.857 1.00 21.78 ? ? ? ? ? ? 225 ALA E CA 1 +ATOM 9688 C C . ALA E 1 226 ? 32.919 3.731 107.602 1.00 24.21 ? ? ? ? ? ? 225 ALA E C 1 +ATOM 9689 O O . ALA E 1 226 ? 31.823 3.954 108.124 1.00 24.01 ? ? ? ? ? ? 225 ALA E O 1 +ATOM 9690 C CB . ALA E 1 226 ? 34.225 5.698 106.717 1.00 19.87 ? ? ? ? ? ? 225 ALA E CB 1 +ATOM 9691 N N . GLU E 1 227 ? 33.133 2.708 106.769 1.00 26.08 ? ? ? ? ? ? 226 GLU E N 1 +ATOM 9692 C CA . GLU E 1 227 ? 32.071 1.771 106.416 1.00 26.51 ? ? ? ? ? ? 226 GLU E CA 1 +ATOM 9693 C C . GLU E 1 227 ? 31.595 1.008 107.650 1.00 24.24 ? ? ? ? ? ? 226 GLU E C 1 +ATOM 9694 O O . GLU E 1 227 ? 30.395 0.786 107.789 1.00 23.38 ? ? ? ? ? ? 226 GLU E O 1 +ATOM 9695 C CB . GLU E 1 227 ? 32.565 0.792 105.333 1.00 28.74 ? ? ? ? ? ? 226 GLU E CB 1 +ATOM 9696 C CG . GLU E 1 227 ? 31.477 -0.069 104.675 1.00 38.06 ? ? ? ? ? ? 226 GLU E CG 1 +ATOM 9697 C CD . GLU E 1 227 ? 31.175 -1.389 105.441 1.00 54.07 ? ? ? ? ? ? 226 GLU E CD 1 +ATOM 9698 O OE1 . GLU E 1 227 ? 32.023 -1.829 106.266 1.00 51.95 ? ? ? ? ? ? 226 GLU E OE1 1 +ATOM 9699 O OE2 . GLU E 1 227 ? 30.088 -1.993 105.206 1.00 54.71 ? ? ? ? ? ? 226 GLU E OE2 1 +ATOM 9700 N N . LYS E 1 228 ? 32.532 0.586 108.508 1.00 22.98 ? ? ? ? ? ? 227 LYS E N 1 +ATOM 9701 C CA . LYS E 1 228 ? 32.192 -0.086 109.768 1.00 23.79 ? ? ? ? ? ? 227 LYS E CA 1 +ATOM 9702 C C . LYS E 1 228 ? 31.330 0.828 110.637 1.00 23.60 ? ? ? ? ? ? 227 LYS E C 1 +ATOM 9703 O O . LYS E 1 228 ? 30.371 0.390 111.268 1.00 23.57 ? ? ? ? ? ? 227 LYS E O 1 +ATOM 9704 C CB . LYS E 1 228 ? 33.456 -0.448 110.537 1.00 23.63 ? ? ? ? ? ? 227 LYS E CB 1 +ATOM 9705 C CG . LYS E 1 228 ? 34.154 -1.710 110.081 1.00 24.02 ? ? ? ? ? ? 227 LYS E CG 1 +ATOM 9706 C CD . LYS E 1 228 ? 35.431 -1.924 110.886 1.00 24.42 ? ? ? ? ? ? 227 LYS E CD 1 +ATOM 9707 C CE . LYS E 1 228 ? 36.110 -3.231 110.506 1.00 28.71 ? ? ? ? ? ? 227 LYS E CE 1 +ATOM 9708 N NZ . LYS E 1 228 ? 37.382 -3.536 111.254 1.00 26.78 ? ? ? ? ? ? 227 LYS E NZ 1 +ATOM 9709 N N . GLY E 1 229 ? 31.690 2.114 110.672 1.00 23.53 ? ? ? ? ? ? 228 GLY E N 1 +ATOM 9710 C CA . GLY E 1 229 ? 30.924 3.106 111.430 1.00 22.83 ? ? ? ? ? ? 228 GLY E CA 1 +ATOM 9711 C C . GLY E 1 229 ? 29.529 3.309 110.897 1.00 23.85 ? ? ? ? ? ? 228 GLY E C 1 +ATOM 9712 O O . GLY E 1 229 ? 28.540 3.387 111.667 1.00 23.73 ? ? ? ? ? ? 228 GLY E O 1 +ATOM 9713 N N . GLU E 1 230 ? 29.434 3.379 109.572 1.00 24.64 ? ? ? ? ? ? 229 GLU E N 1 +ATOM 9714 C CA . GLU E 1 230 ? 28.146 3.539 108.899 1.00 26.73 ? ? ? ? ? ? 229 GLU E CA 1 +ATOM 9715 C C . GLU E 1 230 ? 27.186 2.391 109.194 1.00 25.25 ? ? ? ? ? ? 229 GLU E C 1 +ATOM 9716 O O . GLU E 1 230 ? 25.981 2.588 109.462 1.00 24.80 ? ? ? ? ? ? 229 GLU E O 1 +ATOM 9717 C CB . GLU E 1 230 ? 28.386 3.632 107.382 1.00 26.41 ? ? ? ? ? ? 229 GLU E CB 1 +ATOM 9718 C CG . GLU E 1 230 ? 27.122 3.921 106.559 1.00 32.10 ? ? ? ? ? ? 229 GLU E CG 1 +ATOM 9719 C CD . GLU E 1 230 ? 27.417 4.198 105.081 1.00 36.69 ? ? ? ? ? ? 229 GLU E CD 1 +ATOM 9720 O OE1 . GLU E 1 230 ? 28.453 3.695 104.573 1.00 48.04 ? ? ? ? ? ? 229 GLU E OE1 1 +ATOM 9721 O OE2 . GLU E 1 230 ? 26.616 4.930 104.441 1.00 49.73 ? ? ? ? ? ? 229 GLU E OE2 1 +ATOM 9722 N N . ARG E 1 231 ? 27.725 1.191 109.138 1.00 25.18 ? ? ? ? ? ? 230 ARG E N 1 +ATOM 9723 C CA . ARG E 1 231 ? 26.942 -0.006 109.369 1.00 26.55 ? ? ? ? ? ? 230 ARG E CA 1 +ATOM 9724 C C . ARG E 1 231 ? 26.470 -0.150 110.826 1.00 24.92 ? ? ? ? ? ? 230 ARG E C 1 +ATOM 9725 O O . ARG E 1 231 ? 25.334 -0.567 111.061 1.00 25.40 ? ? ? ? ? ? 230 ARG E O 1 +ATOM 9726 C CB . ARG E 1 231 ? 27.774 -1.206 108.989 1.00 27.67 ? ? ? ? ? ? 230 ARG E CB 1 +ATOM 9727 C CG . ARG E 1 231 ? 26.955 -2.453 108.846 1.00 37.66 ? ? ? ? ? ? 230 ARG E CG 1 +ATOM 9728 C CD . ARG E 1 231 ? 27.774 -3.566 108.253 1.00 46.52 ? ? ? ? ? ? 230 ARG E CD 1 +ATOM 9729 N NE . ARG E 1 231 ? 28.388 -4.425 109.273 1.00 54.99 ? ? ? ? ? ? 230 ARG E NE 1 +ATOM 9730 C CZ . ARG E 1 231 ? 27.815 -5.504 109.819 1.00 55.34 ? ? ? ? ? ? 230 ARG E CZ 1 +ATOM 9731 N NH1 . ARG E 1 231 ? 26.579 -5.888 109.471 1.00 54.46 ? ? ? ? ? ? 230 ARG E NH1 1 +ATOM 9732 N NH2 . ARG E 1 231 ? 28.499 -6.222 110.709 1.00 55.19 ? ? ? ? ? ? 230 ARG E NH2 1 +ATOM 9733 N N . TYR E 1 232 ? 27.358 0.162 111.778 1.00 23.07 ? ? ? ? ? ? 231 TYR E N 1 +ATOM 9734 C CA . TYR E 1 232 ? 27.059 0.107 113.216 1.00 22.78 ? ? ? ? ? ? 231 TYR E CA 1 +ATOM 9735 C C . TYR E 1 232 ? 25.988 1.085 113.664 1.00 22.26 ? ? ? ? ? ? 231 TYR E C 1 +ATOM 9736 O O . TYR E 1 232 ? 25.140 0.712 114.463 1.00 24.67 ? ? ? ? ? ? 231 TYR E O 1 +ATOM 9737 C CB . TYR E 1 232 ? 28.320 0.367 114.024 1.00 22.32 ? ? ? ? ? ? 231 TYR E CB 1 +ATOM 9738 C CG . TYR E 1 232 ? 28.168 0.150 115.517 1.00 24.23 ? ? ? ? ? ? 231 TYR E CG 1 +ATOM 9739 C CD1 . TYR E 1 232 ? 27.638 -1.042 116.026 1.00 23.00 ? ? ? ? ? ? 231 TYR E CD1 1 +ATOM 9740 C CD2 . TYR E 1 232 ? 28.576 1.121 116.431 1.00 22.18 ? ? ? ? ? ? 231 TYR E CD2 1 +ATOM 9741 C CE1 . TYR E 1 232 ? 27.523 -1.254 117.393 1.00 20.39 ? ? ? ? ? ? 231 TYR E CE1 1 +ATOM 9742 C CE2 . TYR E 1 232 ? 28.466 0.904 117.803 1.00 19.79 ? ? ? ? ? ? 231 TYR E CE2 1 +ATOM 9743 C CZ . TYR E 1 232 ? 27.934 -0.280 118.270 1.00 21.28 ? ? ? ? ? ? 231 TYR E CZ 1 +ATOM 9744 O OH . TYR E 1 232 ? 27.802 -0.490 119.616 1.00 20.94 ? ? ? ? ? ? 231 TYR E OH 1 +ATOM 9745 N N . VAL E 1 233 ? 26.026 2.323 113.159 1.00 22.20 ? ? ? ? ? ? 232 VAL E N 1 +ATOM 9746 C CA . VAL E 1 233 ? 25.092 3.341 113.604 1.00 22.11 ? ? ? ? ? ? 232 VAL E CA 1 +ATOM 9747 C C . VAL E 1 233 ? 23.687 3.129 113.065 1.00 23.28 ? ? ? ? ? ? 232 VAL E C 1 +ATOM 9748 O O . VAL E 1 233 ? 22.737 3.656 113.644 1.00 23.30 ? ? ? ? ? ? 232 VAL E O 1 +ATOM 9749 C CB . VAL E 1 233 ? 25.524 4.843 113.309 1.00 24.16 ? ? ? ? ? ? 232 VAL E CB 1 +ATOM 9750 C CG1 . VAL E 1 233 ? 26.804 5.253 114.094 1.00 18.65 ? ? ? ? ? ? 232 VAL E CG1 1 +ATOM 9751 C CG2 . VAL E 1 233 ? 25.644 5.123 111.807 1.00 19.90 ? ? ? ? ? ? 232 VAL E CG2 1 +ATOM 9752 N N . LYS E 1 234 ? 23.529 2.387 111.963 1.00 23.52 ? ? ? ? ? ? 233 LYS E N 1 +ATOM 9753 C CA . LYS E 1 234 ? 22.193 2.223 111.385 1.00 24.01 ? ? ? ? ? ? 233 LYS E CA 1 +ATOM 9754 C C . LYS E 1 234 ? 21.155 1.554 112.330 1.00 22.61 ? ? ? ? ? ? 233 LYS E C 1 +ATOM 9755 O O . LYS E 1 234 ? 20.080 2.122 112.546 1.00 23.27 ? ? ? ? ? ? 233 LYS E O 1 +ATOM 9756 C CB . LYS E 1 234 ? 22.244 1.526 110.040 1.00 27.36 ? ? ? ? ? ? 233 LYS E CB 1 +ATOM 9757 C CG . LYS E 1 234 ? 20.870 1.513 109.354 1.00 34.25 ? ? ? ? ? ? 233 LYS E CG 1 +ATOM 9758 C CD . LYS E 1 234 ? 20.954 1.304 107.833 1.00 49.61 ? ? ? ? ? ? 233 LYS E CD 1 +ATOM 9759 C CE . LYS E 1 234 ? 21.018 -0.182 107.445 1.00 54.66 ? ? ? ? ? ? 233 LYS E CE 1 +ATOM 9760 N NZ . LYS E 1 234 ? 19.661 -0.712 107.155 1.00 59.56 ? ? ? ? ? ? 233 LYS E NZ 1 +ATOM 9761 N N . PRO E 1 235 ? 21.463 0.365 112.885 1.00 21.31 ? ? ? ? ? ? 234 PRO E N 1 +ATOM 9762 C CA . PRO E 1 235 ? 20.563 -0.181 113.920 1.00 21.90 ? ? ? ? ? ? 234 PRO E CA 1 +ATOM 9763 C C . PRO E 1 235 ? 20.453 0.676 115.211 1.00 20.80 ? ? ? ? ? ? 234 PRO E C 1 +ATOM 9764 O O . PRO E 1 235 ? 19.393 0.701 115.839 1.00 20.26 ? ? ? ? ? ? 234 PRO E O 1 +ATOM 9765 C CB . PRO E 1 235 ? 21.150 -1.568 114.213 1.00 19.46 ? ? ? ? ? ? 234 PRO E CB 1 +ATOM 9766 C CG . PRO E 1 235 ? 22.559 -1.483 113.813 1.00 19.72 ? ? ? ? ? ? 234 PRO E CG 1 +ATOM 9767 C CD . PRO E 1 235 ? 22.608 -0.523 112.647 1.00 23.84 ? ? ? ? ? ? 234 PRO E CD 1 +ATOM 9768 N N . ILE E 1 236 ? 21.514 1.397 115.571 1.00 21.35 ? ? ? ? ? ? 235 ILE E N 1 +ATOM 9769 C CA . ILE E 1 236 ? 21.465 2.321 116.729 1.00 20.70 ? ? ? ? ? ? 235 ILE E CA 1 +ATOM 9770 C C . ILE E 1 236 ? 20.409 3.419 116.488 1.00 20.69 ? ? ? ? ? ? 235 ILE E C 1 +ATOM 9771 O O . ILE E 1 236 ? 19.517 3.611 117.302 1.00 21.81 ? ? ? ? ? ? 235 ILE E O 1 +ATOM 9772 C CB . ILE E 1 236 ? 22.837 2.951 117.036 1.00 20.90 ? ? ? ? ? ? 235 ILE E CB 1 +ATOM 9773 C CG1 . ILE E 1 236 ? 23.840 1.869 117.439 1.00 18.36 ? ? ? ? ? ? 235 ILE E CG1 1 +ATOM 9774 C CG2 . ILE E 1 236 ? 22.700 4.004 118.160 1.00 19.86 ? ? ? ? ? ? 235 ILE E CG2 1 +ATOM 9775 C CD1 . ILE E 1 236 ? 25.290 2.287 117.454 1.00 17.94 ? ? ? ? ? ? 235 ILE E CD1 1 +ATOM 9776 N N . VAL E 1 237 ? 20.498 4.082 115.336 1.00 20.43 ? ? ? ? ? ? 236 VAL E N 1 +ATOM 9777 C CA . VAL E 1 237 ? 19.541 5.097 114.923 1.00 20.30 ? ? ? ? ? ? 236 VAL E CA 1 +ATOM 9778 C C . VAL E 1 237 ? 18.103 4.545 114.886 1.00 21.68 ? ? ? ? ? ? 236 VAL E C 1 +ATOM 9779 O O . VAL E 1 237 ? 17.169 5.209 115.352 1.00 21.77 ? ? ? ? ? ? 236 VAL E O 1 +ATOM 9780 C CB . VAL E 1 237 ? 19.953 5.757 113.540 1.00 20.57 ? ? ? ? ? ? 236 VAL E CB 1 +ATOM 9781 C CG1 . VAL E 1 237 ? 18.824 6.563 112.940 1.00 12.67 ? ? ? ? ? ? 236 VAL E CG1 1 +ATOM 9782 C CG2 . VAL E 1 237 ? 21.171 6.647 113.726 1.00 18.78 ? ? ? ? ? ? 236 VAL E CG2 1 +ATOM 9783 N N . GLU E 1 238 ? 17.944 3.330 114.359 1.00 22.83 ? ? ? ? ? ? 237 GLU E N 1 +ATOM 9784 C CA . GLU E 1 238 ? 16.624 2.703 114.211 1.00 23.07 ? ? ? ? ? ? 237 GLU E CA 1 +ATOM 9785 C C . GLU E 1 238 ? 15.992 2.456 115.576 1.00 21.35 ? ? ? ? ? ? 237 GLU E C 1 +ATOM 9786 O O . GLU E 1 238 ? 14.840 2.756 115.797 1.00 21.62 ? ? ? ? ? ? 237 GLU E O 1 +ATOM 9787 C CB . GLU E 1 238 ? 16.743 1.379 113.429 1.00 22.23 ? ? ? ? ? ? 237 GLU E CB 1 +ATOM 9788 C CG . GLU E 1 238 ? 15.409 0.816 112.892 1.00 30.71 ? ? ? ? ? ? 237 GLU E CG 1 +ATOM 9789 C CD . GLU E 1 238 ? 14.522 0.175 113.965 1.00 36.48 ? ? ? ? ? ? 237 GLU E CD 1 +ATOM 9790 O OE1 . GLU E 1 238 ? 15.033 -0.631 114.791 1.00 42.64 ? ? ? ? ? ? 237 GLU E OE1 1 +ATOM 9791 O OE2 . GLU E 1 238 ? 13.299 0.473 113.984 1.00 39.14 ? ? ? ? ? ? 237 GLU E OE2 1 +ATOM 9792 N N . LYS E 1 239 ? 16.743 1.874 116.491 1.00 21.77 ? ? ? ? ? ? 238 LYS E N 1 +ATOM 9793 C CA . LYS E 1 239 ? 16.223 1.612 117.839 1.00 22.89 ? ? ? ? ? ? 238 LYS E CA 1 +ATOM 9794 C C . LYS E 1 239 ? 15.929 2.895 118.587 1.00 22.25 ? ? ? ? ? ? 238 LYS E C 1 +ATOM 9795 O O . LYS E 1 239 ? 14.895 2.992 119.228 1.00 22.35 ? ? ? ? ? ? 238 LYS E O 1 +ATOM 9796 C CB . LYS E 1 239 ? 17.174 0.754 118.628 1.00 21.72 ? ? ? ? ? ? 238 LYS E CB 1 +ATOM 9797 C CG . LYS E 1 239 ? 17.161 -0.679 118.218 1.00 24.68 ? ? ? ? ? ? 238 LYS E CG 1 +ATOM 9798 C CD . LYS E 1 239 ? 18.003 -1.504 119.169 1.00 35.76 ? ? ? ? ? ? 238 LYS E CD 1 +ATOM 9799 C CE . LYS E 1 239 ? 17.887 -2.983 118.837 1.00 44.96 ? ? ? ? ? ? 238 LYS E CE 1 +ATOM 9800 N NZ . LYS E 1 239 ? 16.455 -3.465 118.929 1.00 48.79 ? ? ? ? ? ? 238 LYS E NZ 1 +ATOM 9801 N N . LEU E 1 240 ? 16.804 3.896 118.472 1.00 21.99 ? ? ? ? ? ? 239 LEU E N 1 +ATOM 9802 C CA . LEU E 1 240 ? 16.569 5.191 119.135 1.00 21.02 ? ? ? ? ? ? 239 LEU E CA 1 +ATOM 9803 C C . LEU E 1 240 ? 15.312 5.879 118.592 1.00 20.74 ? ? ? ? ? ? 239 LEU E C 1 +ATOM 9804 O O . LEU E 1 240 ? 14.501 6.387 119.371 1.00 19.98 ? ? ? ? ? ? 239 LEU E O 1 +ATOM 9805 C CB . LEU E 1 240 ? 17.805 6.104 119.063 1.00 19.26 ? ? ? ? ? ? 239 LEU E CB 1 +ATOM 9806 C CG . LEU E 1 240 ? 19.027 5.724 119.939 1.00 17.08 ? ? ? ? ? ? 239 LEU E CG 1 +ATOM 9807 C CD1 . LEU E 1 240 ? 20.152 6.672 119.632 1.00 18.53 ? ? ? ? ? ? 239 LEU E CD1 1 +ATOM 9808 C CD2 . LEU E 1 240 ? 18.722 5.735 121.446 1.00 17.09 ? ? ? ? ? ? 239 LEU E CD2 1 +ATOM 9809 N N . ALA E 1 241 ? 15.129 5.847 117.273 1.00 21.25 ? ? ? ? ? ? 240 ALA E N 1 +ATOM 9810 C CA . ALA E 1 241 ? 13.913 6.405 116.636 1.00 20.38 ? ? ? ? ? ? 240 ALA E CA 1 +ATOM 9811 C C . ALA E 1 241 ? 12.634 5.729 117.144 1.00 20.45 ? ? ? ? ? ? 240 ALA E C 1 +ATOM 9812 O O . ALA E 1 241 ? 11.623 6.396 117.405 1.00 22.22 ? ? ? ? ? ? 240 ALA E O 1 +ATOM 9813 C CB . ALA E 1 241 ? 14.004 6.328 115.112 1.00 19.16 ? ? ? ? ? ? 240 ALA E CB 1 +ATOM 9814 N N . GLY E 1 242 ? 12.676 4.413 117.290 1.00 20.75 ? ? ? ? ? ? 241 GLY E N 1 +ATOM 9815 C CA . GLY E 1 242 ? 11.575 3.693 117.889 1.00 21.10 ? ? ? ? ? ? 241 GLY E CA 1 +ATOM 9816 C C . GLY E 1 242 ? 11.270 4.132 119.316 1.00 21.60 ? ? ? ? ? ? 241 GLY E C 1 +ATOM 9817 O O . GLY E 1 242 ? 10.117 4.284 119.672 1.00 21.46 ? ? ? ? ? ? 241 GLY E O 1 +ATOM 9818 N N . LEU E 1 243 ? 12.309 4.308 120.139 1.00 21.21 ? ? ? ? ? ? 242 LEU E N 1 +ATOM 9819 C CA . LEU E 1 243 ? 12.139 4.836 121.496 1.00 20.70 ? ? ? ? ? ? 242 LEU E CA 1 +ATOM 9820 C C . LEU E 1 243 ? 11.477 6.244 121.487 1.00 21.69 ? ? ? ? ? ? 242 LEU E C 1 +ATOM 9821 O O . LEU E 1 243 ? 10.493 6.481 122.209 1.00 21.05 ? ? ? ? ? ? 242 LEU E O 1 +ATOM 9822 C CB . LEU E 1 243 ? 13.488 4.856 122.232 1.00 19.38 ? ? ? ? ? ? 242 LEU E CB 1 +ATOM 9823 C CG . LEU E 1 243 ? 13.591 5.502 123.622 1.00 21.89 ? ? ? ? ? ? 242 LEU E CG 1 +ATOM 9824 C CD1 . LEU E 1 243 ? 12.828 4.675 124.656 1.00 19.40 ? ? ? ? ? ? 242 LEU E CD1 1 +ATOM 9825 C CD2 . LEU E 1 243 ? 15.048 5.699 124.044 1.00 18.06 ? ? ? ? ? ? 242 LEU E CD2 1 +ATOM 9826 N N . PHE E 1 244 ? 11.980 7.154 120.646 1.00 22.03 ? ? ? ? ? ? 243 PHE E N 1 +ATOM 9827 C CA . PHE E 1 244 ? 11.404 8.490 120.514 1.00 23.02 ? ? ? ? ? ? 243 PHE E CA 1 +ATOM 9828 C C . PHE E 1 244 ? 9.945 8.391 120.137 1.00 23.73 ? ? ? ? ? ? 243 PHE E C 1 +ATOM 9829 O O . PHE E 1 244 ? 9.114 9.085 120.708 1.00 24.59 ? ? ? ? ? ? 243 PHE E O 1 +ATOM 9830 C CB . PHE E 1 244 ? 12.084 9.355 119.447 1.00 21.36 ? ? ? ? ? ? 243 PHE E CB 1 +ATOM 9831 C CG . PHE E 1 244 ? 13.579 9.532 119.608 1.00 21.67 ? ? ? ? ? ? 243 PHE E CG 1 +ATOM 9832 C CD1 . PHE E 1 244 ? 14.258 9.139 120.748 1.00 26.56 ? ? ? ? ? ? 243 PHE E CD1 1 +ATOM 9833 C CD2 . PHE E 1 244 ? 14.300 10.159 118.596 1.00 21.95 ? ? ? ? ? ? 243 PHE E CD2 1 +ATOM 9834 C CE1 . PHE E 1 244 ? 15.642 9.350 120.870 1.00 23.12 ? ? ? ? ? ? 243 PHE E CE1 1 +ATOM 9835 C CE2 . PHE E 1 244 ? 15.653 10.393 118.727 1.00 23.25 ? ? ? ? ? ? 243 PHE E CE2 1 +ATOM 9836 C CZ . PHE E 1 244 ? 16.329 9.958 119.857 1.00 18.25 ? ? ? ? ? ? 243 PHE E CZ 1 +ATOM 9837 N N . GLU E 1 245 ? 9.629 7.543 119.161 1.00 23.74 ? ? ? ? ? ? 244 GLU E N 1 +ATOM 9838 C CA . GLU E 1 245 ? 8.239 7.340 118.740 1.00 24.44 ? ? ? ? ? ? 244 GLU E CA 1 +ATOM 9839 C C . GLU E 1 245 ? 7.375 6.853 119.885 1.00 23.88 ? ? ? ? ? ? 244 GLU E C 1 +ATOM 9840 O O . GLU E 1 245 ? 6.279 7.340 120.097 1.00 24.90 ? ? ? ? ? ? 244 GLU E O 1 +ATOM 9841 C CB . GLU E 1 245 ? 8.157 6.346 117.575 1.00 23.76 ? ? ? ? ? ? 244 GLU E CB 1 +ATOM 9842 C CG . GLU E 1 245 ? 8.735 6.887 116.289 1.00 26.43 ? ? ? ? ? ? 244 GLU E CG 1 +ATOM 9843 C CD . GLU E 1 245 ? 9.089 5.808 115.252 1.00 29.09 ? ? ? ? ? ? 244 GLU E CD 1 +ATOM 9844 O OE1 . GLU E 1 245 ? 8.696 4.617 115.396 1.00 34.37 ? ? ? ? ? ? 244 GLU E OE1 1 +ATOM 9845 O OE2 . GLU E 1 245 ? 9.764 6.171 114.276 1.00 32.59 ? ? ? ? ? ? 244 GLU E OE2 1 +ATOM 9846 N N . GLU E 1 246 ? 7.874 5.875 120.622 1.00 24.46 ? ? ? ? ? ? 245 GLU E N 1 +ATOM 9847 C CA . GLU E 1 246 ? 7.081 5.269 121.706 1.00 25.06 ? ? ? ? ? ? 245 GLU E CA 1 +ATOM 9848 C C . GLU E 1 246 ? 6.934 6.228 122.882 1.00 25.83 ? ? ? ? ? ? 245 GLU E C 1 +ATOM 9849 O O . GLU E 1 246 ? 5.875 6.294 123.492 1.00 26.78 ? ? ? ? ? ? 245 GLU E O 1 +ATOM 9850 C CB . GLU E 1 246 ? 7.699 3.961 122.145 1.00 23.47 ? ? ? ? ? ? 245 GLU E CB 1 +ATOM 9851 C CG . GLU E 1 246 ? 7.570 2.843 121.116 1.00 25.62 ? ? ? ? ? ? 245 GLU E CG 1 +ATOM 9852 C CD . GLU E 1 246 ? 8.509 1.691 121.386 1.00 28.75 ? ? ? ? ? ? 245 GLU E CD 1 +ATOM 9853 O OE1 . GLU E 1 246 ? 9.404 1.848 122.229 1.00 28.61 ? ? ? ? ? ? 245 GLU E OE1 1 +ATOM 9854 O OE2 . GLU E 1 246 ? 8.355 0.622 120.749 1.00 36.12 ? ? ? ? ? ? 245 GLU E OE2 1 +ATOM 9855 N N . MSE E 1 247 ? 7.989 6.985 123.189 1.00 25.87 ? ? ? ? ? ? 246 MSE E N 1 +ATOM 9856 C CA . MSE E 1 247 ? 7.916 8.022 124.237 1.00 26.18 ? ? ? ? ? ? 246 MSE E CA 1 +ATOM 9857 C C . MSE E 1 247 ? 6.889 9.084 123.875 1.00 28.42 ? ? ? ? ? ? 246 MSE E C 1 +ATOM 9858 O O . MSE E 1 247 ? 6.186 9.583 124.734 1.00 28.72 ? ? ? ? ? ? 246 MSE E O 1 +ATOM 9859 C CB . MSE E 1 247 ? 9.272 8.684 124.468 1.00 23.93 ? ? ? ? ? ? 246 MSE E CB 1 +ATOM 9860 C CG . MSE E 1 247 ? 10.246 7.805 125.213 1.00 25.12 ? ? ? ? ? ? 246 MSE E CG 1 +ATOM 9861 SE SE . MSE E 1 247 ? 12.009 8.625 125.367 0.75 23.33 ? ? ? ? ? ? 246 MSE E SE 1 +ATOM 9862 C CE . MSE E 1 247 ? 11.507 9.939 126.816 1.00 21.46 ? ? ? ? ? ? 246 MSE E CE 1 +ATOM 9863 N N . ALA E 1 248 ? 6.818 9.417 122.590 1.00 29.71 ? ? ? ? ? ? 247 ALA E N 1 +ATOM 9864 C CA . ALA E 1 248 ? 5.834 10.366 122.091 1.00 30.54 ? ? ? ? ? ? 247 ALA E CA 1 +ATOM 9865 C C . ALA E 1 248 ? 4.407 9.806 122.156 1.00 30.63 ? ? ? ? ? ? 247 ALA E C 1 +ATOM 9866 O O . ALA E 1 248 ? 3.476 10.521 122.489 1.00 31.29 ? ? ? ? ? ? 247 ALA E O 1 +ATOM 9867 C CB . ALA E 1 248 ? 6.183 10.776 120.644 1.00 27.99 ? ? ? ? ? ? 247 ALA E CB 1 +ATOM 9868 N N . GLN E 1 249 ? 4.253 8.526 121.854 1.00 30.34 ? ? ? ? ? ? 248 GLN E N 1 +ATOM 9869 C CA . GLN E 1 249 ? 2.937 7.937 121.616 1.00 33.47 ? ? ? ? ? ? 248 GLN E CA 1 +ATOM 9870 C C . GLN E 1 249 ? 2.281 7.230 122.802 1.00 33.39 ? ? ? ? ? ? 248 GLN E C 1 +ATOM 9871 O O . GLN E 1 249 ? 1.102 6.898 122.737 1.00 34.28 ? ? ? ? ? ? 248 GLN E O 1 +ATOM 9872 C CB . GLN E 1 249 ? 3.021 7.008 120.387 1.00 33.76 ? ? ? ? ? ? 248 GLN E CB 1 +ATOM 9873 C CG . GLN E 1 249 ? 3.331 7.826 119.108 1.00 38.20 ? ? ? ? ? ? 248 GLN E CG 1 +ATOM 9874 C CD . GLN E 1 249 ? 3.574 7.013 117.850 1.00 38.49 ? ? ? ? ? ? 248 GLN E CD 1 +ATOM 9875 O OE1 . GLN E 1 249 ? 3.978 5.851 117.892 1.00 41.33 ? ? ? ? ? ? 248 GLN E OE1 1 +ATOM 9876 N NE2 . GLN E 1 249 ? 3.342 7.655 116.703 1.00 42.18 ? ? ? ? ? ? 248 GLN E NE2 1 +ATOM 9877 N N . HIS E 1 250 ? 3.041 6.986 123.860 1.00 32.90 ? ? ? ? ? ? 249 HIS E N 1 +ATOM 9878 C CA . HIS E 1 250 ? 2.548 6.281 125.048 1.00 32.91 ? ? ? ? ? ? 249 HIS E CA 1 +ATOM 9879 C C . HIS E 1 250 ? 2.887 7.027 126.343 1.00 32.57 ? ? ? ? ? ? 249 HIS E C 1 +ATOM 9880 O O . HIS E 1 250 ? 3.926 7.681 126.442 1.00 32.81 ? ? ? ? ? ? 249 HIS E O 1 +ATOM 9881 C CB . HIS E 1 250 ? 3.161 4.878 125.110 1.00 33.12 ? ? ? ? ? ? 249 HIS E CB 1 +ATOM 9882 C CG . HIS E 1 250 ? 2.722 3.983 123.996 1.00 35.85 ? ? ? ? ? ? 249 HIS E CG 1 +ATOM 9883 N ND1 . HIS E 1 250 ? 1.432 3.504 123.894 1.00 37.65 ? ? ? ? ? ? 249 HIS E ND1 1 +ATOM 9884 C CD2 . HIS E 1 250 ? 3.396 3.486 122.931 1.00 37.59 ? ? ? ? ? ? 249 HIS E CD2 1 +ATOM 9885 C CE1 . HIS E 1 250 ? 1.332 2.756 122.809 1.00 41.65 ? ? ? ? ? ? 249 HIS E CE1 1 +ATOM 9886 N NE2 . HIS E 1 250 ? 2.507 2.738 122.203 1.00 38.96 ? ? ? ? ? ? 249 HIS E NE2 1 +ATOM 9887 N N . ASP E 1 251 ? 2.012 6.906 127.343 1.00 32.03 ? ? ? ? ? ? 250 ASP E N 1 +ATOM 9888 C CA . ASP E 1 251 ? 2.395 7.202 128.708 1.00 31.43 ? ? ? ? ? ? 250 ASP E CA 1 +ATOM 9889 C C . ASP E 1 251 ? 3.348 6.087 129.136 1.00 28.14 ? ? ? ? ? ? 250 ASP E C 1 +ATOM 9890 O O . ASP E 1 251 ? 3.369 5.021 128.510 1.00 27.10 ? ? ? ? ? ? 250 ASP E O 1 +ATOM 9891 C CB . ASP E 1 251 ? 1.175 7.301 129.647 1.00 33.02 ? ? ? ? ? ? 250 ASP E CB 1 +ATOM 9892 C CG . ASP E 1 251 ? 0.262 8.525 129.336 1.00 41.38 ? ? ? ? ? ? 250 ASP E CG 1 +ATOM 9893 O OD1 . ASP E 1 251 ? 0.773 9.596 128.908 1.00 43.81 ? ? ? ? ? ? 250 ASP E OD1 1 +ATOM 9894 O OD2 . ASP E 1 251 ? -0.975 8.404 129.519 1.00 47.88 ? ? ? ? ? ? 250 ASP E OD2 1 +ATOM 9895 N N . LEU E 1 252 ? 4.157 6.359 130.157 1.00 25.72 ? ? ? ? ? ? 251 LEU E N 1 +ATOM 9896 C CA . LEU E 1 252 ? 5.108 5.389 130.696 1.00 25.72 ? ? ? ? ? ? 251 LEU E CA 1 +ATOM 9897 C C . LEU E 1 252 ? 4.430 4.081 131.140 1.00 25.86 ? ? ? ? ? ? 251 LEU E C 1 +ATOM 9898 O O . LEU E 1 252 ? 4.987 2.962 130.964 1.00 24.17 ? ? ? ? ? ? 251 LEU E O 1 +ATOM 9899 C CB . LEU E 1 252 ? 5.884 5.993 131.875 1.00 25.15 ? ? ? ? ? ? 251 LEU E CB 1 +ATOM 9900 C CG . LEU E 1 252 ? 7.063 5.194 132.441 1.00 25.02 ? ? ? ? ? ? 251 LEU E CG 1 +ATOM 9901 C CD1 . LEU E 1 252 ? 8.123 4.930 131.342 1.00 19.52 ? ? ? ? ? ? 251 LEU E CD1 1 +ATOM 9902 C CD2 . LEU E 1 252 ? 7.652 5.960 133.613 1.00 22.56 ? ? ? ? ? ? 251 LEU E CD2 1 +ATOM 9903 N N . TYR E 1 253 ? 3.260 4.233 131.753 1.00 26.75 ? ? ? ? ? ? 252 TYR E N 1 +ATOM 9904 C CA . TYR E 1 253 ? 2.411 3.088 132.139 1.00 28.52 ? ? ? ? ? ? 252 TYR E CA 1 +ATOM 9905 C C . TYR E 1 253 ? 0.995 3.363 131.636 1.00 31.42 ? ? ? ? ? ? 252 TYR E C 1 +ATOM 9906 O O . TYR E 1 253 ? 0.525 4.479 131.722 1.00 31.41 ? ? ? ? ? ? 252 TYR E O 1 +ATOM 9907 C CB . TYR E 1 253 ? 2.390 2.912 133.673 1.00 26.57 ? ? ? ? ? ? 252 TYR E CB 1 +ATOM 9908 C CG . TYR E 1 253 ? 3.707 2.445 134.284 1.00 24.50 ? ? ? ? ? ? 252 TYR E CG 1 +ATOM 9909 C CD1 . TYR E 1 253 ? 4.000 1.095 134.390 1.00 22.51 ? ? ? ? ? ? 252 TYR E CD1 1 +ATOM 9910 C CD2 . TYR E 1 253 ? 4.647 3.352 134.765 1.00 21.71 ? ? ? ? ? ? 252 TYR E CD2 1 +ATOM 9911 C CE1 . TYR E 1 253 ? 5.190 0.660 134.951 1.00 24.71 ? ? ? ? ? ? 252 TYR E CE1 1 +ATOM 9912 C CE2 . TYR E 1 253 ? 5.851 2.915 135.312 1.00 22.86 ? ? ? ? ? ? 252 TYR E CE2 1 +ATOM 9913 C CZ . TYR E 1 253 ? 6.104 1.563 135.418 1.00 22.62 ? ? ? ? ? ? 252 TYR E CZ 1 +ATOM 9914 O OH . TYR E 1 253 ? 7.270 1.078 135.987 1.00 22.12 ? ? ? ? ? ? 252 TYR E OH 1 +ATOM 9915 N N . GLU E 1 254 ? 0.332 2.349 131.103 1.00 36.68 ? ? ? ? ? ? 253 GLU E N 1 +ATOM 9916 C CA . GLU E 1 254 ? -1.052 2.504 130.607 1.00 40.82 ? ? ? ? ? ? 253 GLU E CA 1 +ATOM 9917 C C . GLU E 1 254 ? -1.954 1.428 131.181 1.00 44.31 ? ? ? ? ? ? 253 GLU E C 1 +ATOM 9918 O O . GLU E 1 254 ? -1.487 0.465 131.760 1.00 45.98 ? ? ? ? ? ? 253 GLU E O 1 +ATOM 9919 C CB . GLU E 1 254 ? -1.092 2.448 129.084 1.00 38.77 ? ? ? ? ? ? 253 GLU E CB 1 +ATOM 9920 C CG . GLU E 1 254 ? -0.494 3.656 128.451 1.00 36.49 ? ? ? ? ? ? 253 GLU E CG 1 +ATOM 9921 C CD . GLU E 1 254 ? -0.357 3.548 126.940 1.00 36.32 ? ? ? ? ? ? 253 GLU E CD 1 +ATOM 9922 O OE1 . GLU E 1 254 ? -0.347 2.414 126.378 1.00 37.38 ? ? ? ? ? ? 253 GLU E OE1 1 +ATOM 9923 O OE2 . GLU E 1 254 ? -0.256 4.626 126.330 1.00 42.18 ? ? ? ? ? ? 253 GLU E OE2 1 +ATOM 9924 O OXT . GLU E 1 254 ? -3.178 1.520 131.081 1.00 50.39 ? ? ? ? ? ? 253 GLU E OXT 1 +ATOM 9925 N N . GLY F 1 1 ? 39.982 28.317 108.143 1.00 48.03 ? ? ? ? ? ? 0 GLY F N 1 +ATOM 9926 C CA . GLY F 1 1 ? 39.730 26.856 108.008 1.00 46.55 ? ? ? ? ? ? 0 GLY F CA 1 +ATOM 9927 C C . GLY F 1 1 ? 40.138 26.157 109.279 1.00 44.36 ? ? ? ? ? ? 0 GLY F C 1 +ATOM 9928 O O . GLY F 1 1 ? 40.761 26.759 110.157 1.00 47.22 ? ? ? ? ? ? 0 GLY F O 1 +ATOM 9929 N N . MSE F 1 2 ? 39.809 24.876 109.364 1.00 39.79 ? ? ? ? ? ? 1 MSE F N 1 +ATOM 9930 C CA . MSE F 1 2 ? 40.094 24.059 110.556 1.00 40.18 ? ? ? ? ? ? 1 MSE F CA 1 +ATOM 9931 C C . MSE F 1 2 ? 41.500 24.281 111.117 1.00 37.42 ? ? ? ? ? ? 1 MSE F C 1 +ATOM 9932 O O . MSE F 1 2 ? 42.487 24.076 110.402 1.00 37.66 ? ? ? ? ? ? 1 MSE F O 1 +ATOM 9933 C CB . MSE F 1 2 ? 39.948 22.585 110.190 1.00 40.29 ? ? ? ? ? ? 1 MSE F CB 1 +ATOM 9934 C CG . MSE F 1 2 ? 40.417 21.608 111.253 1.00 43.85 ? ? ? ? ? ? 1 MSE F CG 1 +ATOM 9935 SE SE . MSE F 1 2 ? 39.904 19.814 110.758 0.75 44.56 ? ? ? ? ? ? 1 MSE F SE 1 +ATOM 9936 C CE . MSE F 1 2 ? 38.000 20.281 110.168 1.00 41.34 ? ? ? ? ? ? 1 MSE F CE 1 +ATOM 9937 N N . ASN F 1 3 ? 41.587 24.664 112.395 1.00 33.56 ? ? ? ? ? ? 2 ASN F N 1 +ATOM 9938 C CA . ASN F 1 3 ? 42.882 24.859 113.057 1.00 31.16 ? ? ? ? ? ? 2 ASN F CA 1 +ATOM 9939 C C . ASN F 1 3 ? 42.969 24.107 114.396 1.00 29.96 ? ? ? ? ? ? 2 ASN F C 1 +ATOM 9940 O O . ASN F 1 3 ? 42.493 24.588 115.433 1.00 27.81 ? ? ? ? ? ? 2 ASN F O 1 +ATOM 9941 C CB . ASN F 1 3 ? 43.175 26.360 113.224 1.00 31.03 ? ? ? ? ? ? 2 ASN F CB 1 +ATOM 9942 C CG . ASN F 1 3 ? 44.632 26.642 113.555 1.00 30.09 ? ? ? ? ? ? 2 ASN F CG 1 +ATOM 9943 O OD1 . ASN F 1 3 ? 45.350 25.798 114.104 1.00 33.87 ? ? ? ? ? ? 2 ASN F OD1 1 +ATOM 9944 N ND2 . ASN F 1 3 ? 45.064 27.850 113.255 1.00 28.89 ? ? ? ? ? ? 2 ASN F ND2 1 +ATOM 9945 N N . LYS F 1 4 ? 43.591 22.923 114.354 1.00 28.99 ? ? ? ? ? ? 3 LYS F N 1 +ATOM 9946 C CA . LYS F 1 4 ? 43.695 22.044 115.517 1.00 29.96 ? ? ? ? ? ? 3 LYS F CA 1 +ATOM 9947 C C . LYS F 1 4 ? 44.685 22.595 116.542 1.00 28.53 ? ? ? ? ? ? 3 LYS F C 1 +ATOM 9948 O O . LYS F 1 4 ? 44.706 22.153 117.699 1.00 27.89 ? ? ? ? ? ? 3 LYS F O 1 +ATOM 9949 C CB . LYS F 1 4 ? 44.119 20.615 115.112 1.00 30.66 ? ? ? ? ? ? 3 LYS F CB 1 +ATOM 9950 C CG . LYS F 1 4 ? 43.112 19.797 114.317 1.00 33.86 ? ? ? ? ? ? 3 LYS F CG 1 +ATOM 9951 C CD . LYS F 1 4 ? 43.580 18.302 114.181 1.00 32.16 ? ? ? ? ? ? 3 LYS F CD 1 +ATOM 9952 C CE . LYS F 1 4 ? 42.618 17.399 113.339 1.00 35.15 ? ? ? ? ? ? 3 LYS F CE 1 +ATOM 9953 N NZ . LYS F 1 4 ? 42.874 15.905 113.511 1.00 29.99 ? ? ? ? ? ? 3 LYS F NZ 1 +ATOM 9954 N N . GLU F 1 5 ? 45.510 23.553 116.129 1.00 27.84 ? ? ? ? ? ? 4 GLU F N 1 +ATOM 9955 C CA . GLU F 1 5 ? 46.507 24.119 117.039 1.00 27.63 ? ? ? ? ? ? 4 GLU F CA 1 +ATOM 9956 C C . GLU F 1 5 ? 45.906 25.042 118.116 1.00 23.78 ? ? ? ? ? ? 4 GLU F C 1 +ATOM 9957 O O . GLU F 1 5 ? 46.383 25.052 119.268 1.00 24.32 ? ? ? ? ? ? 4 GLU F O 1 +ATOM 9958 C CB . GLU F 1 5 ? 47.597 24.859 116.266 1.00 27.74 ? ? ? ? ? ? 4 GLU F CB 1 +ATOM 9959 C CG . GLU F 1 5 ? 48.831 25.173 117.118 1.00 29.22 ? ? ? ? ? ? 4 GLU F CG 1 +ATOM 9960 C CD . GLU F 1 5 ? 50.056 25.574 116.283 1.00 32.72 ? ? ? ? ? ? 4 GLU F CD 1 +ATOM 9961 O OE1 . GLU F 1 5 ? 49.973 25.621 115.024 1.00 40.64 ? ? ? ? ? ? 4 GLU F OE1 1 +ATOM 9962 O OE2 . GLU F 1 5 ? 51.111 25.828 116.894 1.00 32.67 ? ? ? ? ? ? 4 GLU F OE2 1 +ATOM 9963 N N . VAL F 1 6 ? 44.866 25.784 117.740 1.00 21.27 ? ? ? ? ? ? 5 VAL F N 1 +ATOM 9964 C CA . VAL F 1 6 ? 44.256 26.770 118.636 1.00 20.88 ? ? ? ? ? ? 5 VAL F CA 1 +ATOM 9965 C C . VAL F 1 6 ? 42.735 26.604 118.849 1.00 20.73 ? ? ? ? ? ? 5 VAL F C 1 +ATOM 9966 O O . VAL F 1 6 ? 42.156 27.338 119.674 1.00 20.46 ? ? ? ? ? ? 5 VAL F O 1 +ATOM 9967 C CB . VAL F 1 6 ? 44.531 28.214 118.130 1.00 21.34 ? ? ? ? ? ? 5 VAL F CB 1 +ATOM 9968 C CG1 . VAL F 1 6 ? 46.049 28.520 118.041 1.00 16.07 ? ? ? ? ? ? 5 VAL F CG1 1 +ATOM 9969 C CG2 . VAL F 1 6 ? 43.856 28.445 116.816 1.00 17.58 ? ? ? ? ? ? 5 VAL F CG2 1 +ATOM 9970 N N . ASP F 1 7 ? 42.078 25.674 118.132 1.00 19.68 ? ? ? ? ? ? 6 ASP F N 1 +ATOM 9971 C CA . ASP F 1 7 ? 40.604 25.469 118.266 1.00 19.67 ? ? ? ? ? ? 6 ASP F CA 1 +ATOM 9972 C C . ASP F 1 7 ? 40.313 24.071 118.815 1.00 19.69 ? ? ? ? ? ? 6 ASP F C 1 +ATOM 9973 O O . ASP F 1 7 ? 40.403 23.096 118.088 1.00 20.19 ? ? ? ? ? ? 6 ASP F O 1 +ATOM 9974 C CB . ASP F 1 7 ? 39.938 25.683 116.924 1.00 18.82 ? ? ? ? ? ? 6 ASP F CB 1 +ATOM 9975 C CG . ASP F 1 7 ? 38.413 25.604 116.970 1.00 21.31 ? ? ? ? ? ? 6 ASP F CG 1 +ATOM 9976 O OD1 . ASP F 1 7 ? 37.799 25.472 118.053 1.00 23.37 ? ? ? ? ? ? 6 ASP F OD1 1 +ATOM 9977 O OD2 . ASP F 1 7 ? 37.825 25.707 115.873 1.00 20.91 ? ? ? ? ? ? 6 ASP F OD2 1 +ATOM 9978 N N . LEU F 1 8 ? 40.024 23.981 120.112 1.00 18.77 ? ? ? ? ? ? 7 LEU F N 1 +ATOM 9979 C CA . LEU F 1 8 ? 39.853 22.692 120.770 1.00 19.87 ? ? ? ? ? ? 7 LEU F CA 1 +ATOM 9980 C C . LEU F 1 8 ? 38.665 21.904 120.221 1.00 20.68 ? ? ? ? ? ? 7 LEU F C 1 +ATOM 9981 O O . LEU F 1 8 ? 38.677 20.671 120.247 1.00 22.39 ? ? ? ? ? ? 7 LEU F O 1 +ATOM 9982 C CB . LEU F 1 8 ? 39.746 22.837 122.301 1.00 20.01 ? ? ? ? ? ? 7 LEU F CB 1 +ATOM 9983 C CG . LEU F 1 8 ? 40.031 21.529 123.055 1.00 18.61 ? ? ? ? ? ? 7 LEU F CG 1 +ATOM 9984 C CD1 . LEU F 1 8 ? 41.516 21.249 123.206 1.00 17.64 ? ? ? ? ? ? 7 LEU F CD1 1 +ATOM 9985 C CD2 . LEU F 1 8 ? 39.347 21.467 124.417 1.00 17.39 ? ? ? ? ? ? 7 LEU F CD2 1 +ATOM 9986 N N . SER F 1 9 ? 37.655 22.605 119.716 1.00 21.14 ? ? ? ? ? ? 8 SER F N 1 +ATOM 9987 C CA . SER F 1 9 ? 36.506 21.962 119.084 1.00 22.22 ? ? ? ? ? ? 8 SER F CA 1 +ATOM 9988 C C . SER F 1 9 ? 36.834 21.031 117.898 1.00 22.57 ? ? ? ? ? ? 8 SER F C 1 +ATOM 9989 O O . SER F 1 9 ? 36.056 20.144 117.587 1.00 23.69 ? ? ? ? ? ? 8 SER F O 1 +ATOM 9990 C CB . SER F 1 9 ? 35.492 23.026 118.662 1.00 23.90 ? ? ? ? ? ? 8 SER F CB 1 +ATOM 9991 O OG . SER F 1 9 ? 35.008 23.706 119.811 1.00 27.49 ? ? ? ? ? ? 8 SER F OG 1 +ATOM 9992 N N . VAL F 1 10 ? 37.966 21.235 117.241 1.00 22.04 ? ? ? ? ? ? 9 VAL F N 1 +ATOM 9993 C CA . VAL F 1 10 ? 38.401 20.361 116.170 1.00 22.59 ? ? ? ? ? ? 9 VAL F CA 1 +ATOM 9994 C C . VAL F 1 10 ? 39.734 19.640 116.468 1.00 23.84 ? ? ? ? ? ? 9 VAL F C 1 +ATOM 9995 O O . VAL F 1 10 ? 40.184 18.843 115.656 1.00 27.21 ? ? ? ? ? ? 9 VAL F O 1 +ATOM 9996 C CB . VAL F 1 10 ? 38.491 21.110 114.813 1.00 21.00 ? ? ? ? ? ? 9 VAL F CB 1 +ATOM 9997 C CG1 . VAL F 1 10 ? 37.112 21.660 114.386 1.00 14.64 ? ? ? ? ? ? 9 VAL F CG1 1 +ATOM 9998 C CG2 . VAL F 1 10 ? 39.526 22.225 114.866 1.00 19.64 ? ? ? ? ? ? 9 VAL F CG2 1 +ATOM 9999 N N . SER F 1 11 ? 40.336 19.892 117.633 1.00 22.65 ? ? ? ? ? ? 10 SER F N 1 +ATOM 10000 C CA . SER F 1 11 ? 41.691 19.425 117.931 1.00 21.65 ? ? ? ? ? ? 10 SER F CA 1 +ATOM 10001 C C . SER F 1 11 ? 41.764 18.017 118.569 1.00 22.78 ? ? ? ? ? ? 10 SER F C 1 +ATOM 10002 O O . SER F 1 11 ? 40.763 17.443 118.965 1.00 22.56 ? ? ? ? ? ? 10 SER F O 1 +ATOM 10003 C CB . SER F 1 11 ? 42.374 20.424 118.835 1.00 21.90 ? ? ? ? ? ? 10 SER F CB 1 +ATOM 10004 O OG . SER F 1 11 ? 43.760 20.141 118.940 1.00 23.95 ? ? ? ? ? ? 10 SER F OG 1 +ATOM 10005 N N . CYS F 1 12 ? 42.967 17.454 118.645 1.00 23.04 ? ? ? ? ? ? 11 CYS F N 1 +ATOM 10006 C CA . CYS F 1 12 ? 43.163 16.143 119.272 1.00 22.90 ? ? ? ? ? ? 11 CYS F CA 1 +ATOM 10007 C C . CYS F 1 12 ? 44.463 16.137 120.042 1.00 23.21 ? ? ? ? ? ? 11 CYS F C 1 +ATOM 10008 O O . CYS F 1 12 ? 45.313 16.977 119.835 1.00 23.68 ? ? ? ? ? ? 11 CYS F O 1 +ATOM 10009 C CB . CYS F 1 12 ? 43.185 15.052 118.213 1.00 23.79 ? ? ? ? ? ? 11 CYS F CB 1 +ATOM 10010 S SG . CYS F 1 12 ? 44.497 15.336 116.996 1.00 25.39 ? ? ? ? ? ? 11 CYS F SG 1 +ATOM 10011 N N . LEU F 1 13 ? 44.603 15.187 120.954 1.00 23.50 ? ? ? ? ? ? 12 LEU F N 1 +ATOM 10012 C CA . LEU F 1 13 ? 45.750 15.153 121.820 1.00 23.87 ? ? ? ? ? ? 12 LEU F CA 1 +ATOM 10013 C C . LEU F 1 13 ? 47.081 15.137 121.049 1.00 25.32 ? ? ? ? ? ? 12 LEU F C 1 +ATOM 10014 O O . LEU F 1 13 ? 48.032 15.735 121.496 1.00 25.74 ? ? ? ? ? ? 12 LEU F O 1 +ATOM 10015 C CB . LEU F 1 13 ? 45.658 13.956 122.789 1.00 23.12 ? ? ? ? ? ? 12 LEU F CB 1 +ATOM 10016 C CG . LEU F 1 13 ? 46.813 13.802 123.789 1.00 24.11 ? ? ? ? ? ? 12 LEU F CG 1 +ATOM 10017 C CD1 . LEU F 1 13 ? 46.950 15.084 124.679 1.00 21.07 ? ? ? ? ? ? 12 LEU F CD1 1 +ATOM 10018 C CD2 . LEU F 1 13 ? 46.639 12.532 124.613 1.00 22.13 ? ? ? ? ? ? 12 LEU F CD2 1 +ATOM 10019 N N . GLY F 1 14 ? 47.144 14.434 119.923 1.00 26.26 ? ? ? ? ? ? 13 GLY F N 1 +ATOM 10020 C CA . GLY F 1 14 ? 48.391 14.289 119.140 1.00 26.90 ? ? ? ? ? ? 13 GLY F CA 1 +ATOM 10021 C C . GLY F 1 14 ? 48.942 15.628 118.676 1.00 28.44 ? ? ? ? ? ? 13 GLY F C 1 +ATOM 10022 O O . GLY F 1 14 ? 50.169 15.882 118.750 1.00 28.29 ? ? ? ? ? ? 13 GLY F O 1 +ATOM 10023 N N . LYS F 1 15 ? 48.023 16.511 118.282 1.00 28.80 ? ? ? ? ? ? 14 LYS F N 1 +ATOM 10024 C CA . LYS F 1 15 ? 48.385 17.843 117.814 1.00 30.29 ? ? ? ? ? ? 14 LYS F CA 1 +ATOM 10025 C C . LYS F 1 15 ? 48.775 18.778 118.957 1.00 31.09 ? ? ? ? ? ? 14 LYS F C 1 +ATOM 10026 O O . LYS F 1 15 ? 49.641 19.642 118.795 1.00 35.40 ? ? ? ? ? ? 14 LYS F O 1 +ATOM 10027 C CB . LYS F 1 15 ? 47.247 18.452 117.000 1.00 32.28 ? ? ? ? ? ? 14 LYS F CB 1 +ATOM 10028 C CG . LYS F 1 15 ? 47.562 19.868 116.449 1.00 43.34 ? ? ? ? ? ? 14 LYS F CG 1 +ATOM 10029 C CD . LYS F 1 15 ? 48.747 19.844 115.456 1.00 50.64 ? ? ? ? ? ? 14 LYS F CD 1 +ATOM 10030 C CE . LYS F 1 15 ? 48.854 21.107 114.581 1.00 47.76 ? ? ? ? ? ? 14 LYS F CE 1 +ATOM 10031 N NZ . LYS F 1 15 ? 47.935 21.075 113.398 1.00 48.96 ? ? ? ? ? ? 14 LYS F NZ 1 +ATOM 10032 N N . VAL F 1 16 ? 48.174 18.613 120.128 1.00 29.58 ? ? ? ? ? ? 15 VAL F N 1 +ATOM 10033 C CA . VAL F 1 16 ? 48.425 19.573 121.198 1.00 28.34 ? ? ? ? ? ? 15 VAL F CA 1 +ATOM 10034 C C . VAL F 1 16 ? 49.511 19.156 122.179 1.00 29.19 ? ? ? ? ? ? 15 VAL F C 1 +ATOM 10035 O O . VAL F 1 16 ? 50.114 20.015 122.812 1.00 27.30 ? ? ? ? ? ? 15 VAL F O 1 +ATOM 10036 C CB . VAL F 1 16 ? 47.137 19.933 121.966 1.00 28.86 ? ? ? ? ? ? 15 VAL F CB 1 +ATOM 10037 C CG1 . VAL F 1 16 ? 46.020 20.199 120.998 1.00 26.85 ? ? ? ? ? ? 15 VAL F CG1 1 +ATOM 10038 C CG2 . VAL F 1 16 ? 46.764 18.848 122.935 1.00 26.91 ? ? ? ? ? ? 15 VAL F CG2 1 +ATOM 10039 N N . LYS F 1 17 ? 49.810 17.860 122.281 1.00 30.74 ? ? ? ? ? ? 16 LYS F N 1 +ATOM 10040 C CA . LYS F 1 17 ? 50.590 17.371 123.416 1.00 34.71 ? ? ? ? ? ? 16 LYS F CA 1 +ATOM 10041 C C . LYS F 1 17 ? 52.083 17.815 123.488 1.00 35.09 ? ? ? ? ? ? 16 LYS F C 1 +ATOM 10042 O O . LYS F 1 17 ? 52.690 17.806 124.566 1.00 35.28 ? ? ? ? ? ? 16 LYS F O 1 +ATOM 10043 C CB . LYS F 1 17 ? 50.450 15.841 123.574 1.00 35.29 ? ? ? ? ? ? 16 LYS F CB 1 +ATOM 10044 C CG . LYS F 1 17 ? 51.159 14.977 122.543 1.00 37.10 ? ? ? ? ? ? 16 LYS F CG 1 +ATOM 10045 C CD . LYS F 1 17 ? 51.413 13.560 123.090 1.00 40.33 ? ? ? ? ? ? 16 LYS F CD 1 +ATOM 10046 C CE . LYS F 1 17 ? 52.422 12.798 122.202 1.00 50.72 ? ? ? ? ? ? 16 LYS F CE 1 +ATOM 10047 N NZ . LYS F 1 17 ? 52.698 11.395 122.643 1.00 55.12 ? ? ? ? ? ? 16 LYS F NZ 1 +ATOM 10048 N N . GLU F 1 18 ? 52.675 18.220 122.375 1.00 36.26 ? ? ? ? ? ? 17 GLU F N 1 +ATOM 10049 C CA . GLU F 1 18 ? 54.072 18.687 122.427 1.00 39.90 ? ? ? ? ? ? 17 GLU F CA 1 +ATOM 10050 C C . GLU F 1 18 ? 54.245 20.225 122.273 1.00 38.75 ? ? ? ? ? ? 17 GLU F C 1 +ATOM 10051 O O . GLU F 1 18 ? 55.359 20.725 122.017 1.00 39.55 ? ? ? ? ? ? 17 GLU F O 1 +ATOM 10052 C CB . GLU F 1 18 ? 54.882 17.918 121.392 1.00 43.05 ? ? ? ? ? ? 17 GLU F CB 1 +ATOM 10053 C CG . GLU F 1 18 ? 55.001 16.419 121.770 1.00 50.40 ? ? ? ? ? ? 17 GLU F CG 1 +ATOM 10054 C CD . GLU F 1 18 ? 55.021 15.517 120.561 1.00 57.38 ? ? ? ? ? ? 17 GLU F CD 1 +ATOM 10055 O OE1 . GLU F 1 18 ? 55.437 15.999 119.482 1.00 61.03 ? ? ? ? ? ? 17 GLU F OE1 1 +ATOM 10056 O OE2 . GLU F 1 18 ? 54.632 14.326 120.696 1.00 63.35 ? ? ? ? ? ? 17 GLU F OE2 1 +ATOM 10057 N N . LEU F 1 19 ? 53.150 20.963 122.466 1.00 35.54 ? ? ? ? ? ? 18 LEU F N 1 +ATOM 10058 C CA . LEU F 1 19 ? 53.145 22.399 122.234 1.00 33.00 ? ? ? ? ? ? 18 LEU F CA 1 +ATOM 10059 C C . LEU F 1 19 ? 52.943 23.134 123.522 1.00 31.69 ? ? ? ? ? ? 18 LEU F C 1 +ATOM 10060 O O . LEU F 1 19 ? 52.245 22.669 124.409 1.00 32.29 ? ? ? ? ? ? 18 LEU F O 1 +ATOM 10061 C CB . LEU F 1 19 ? 52.036 22.768 121.274 1.00 32.08 ? ? ? ? ? ? 18 LEU F CB 1 +ATOM 10062 C CG . LEU F 1 19 ? 52.158 22.251 119.854 1.00 28.71 ? ? ? ? ? ? 18 LEU F CG 1 +ATOM 10063 C CD1 . LEU F 1 19 ? 50.967 22.794 119.143 1.00 23.24 ? ? ? ? ? ? 18 LEU F CD1 1 +ATOM 10064 C CD2 . LEU F 1 19 ? 53.454 22.716 119.199 1.00 30.18 ? ? ? ? ? ? 18 LEU F CD2 1 +ATOM 10065 N N . LYS F 1 20 ? 53.569 24.296 123.613 1.00 30.80 ? ? ? ? ? ? 19 LYS F N 1 +ATOM 10066 C CA . LYS F 1 20 ? 53.428 25.166 124.775 1.00 29.80 ? ? ? ? ? ? 19 LYS F CA 1 +ATOM 10067 C C . LYS F 1 20 ? 52.299 26.144 124.570 1.00 26.94 ? ? ? ? ? ? 19 LYS F C 1 +ATOM 10068 O O . LYS F 1 20 ? 52.295 26.889 123.585 1.00 24.52 ? ? ? ? ? ? 19 LYS F O 1 +ATOM 10069 C CB . LYS F 1 20 ? 54.707 25.961 125.024 1.00 31.92 ? ? ? ? ? ? 19 LYS F CB 1 +ATOM 10070 C CG . LYS F 1 20 ? 54.798 26.426 126.487 1.00 40.31 ? ? ? ? ? ? 19 LYS F CG 1 +ATOM 10071 C CD . LYS F 1 20 ? 55.642 27.656 126.722 1.00 47.54 ? ? ? ? ? ? 19 LYS F CD 1 +ATOM 10072 C CE . LYS F 1 20 ? 55.201 28.328 128.024 1.00 54.82 ? ? ? ? ? ? 19 LYS F CE 1 +ATOM 10073 N NZ . LYS F 1 20 ? 54.910 27.335 129.124 1.00 55.19 ? ? ? ? ? ? 19 LYS F NZ 1 +ATOM 10074 N N . TYR F 1 21 ? 51.354 26.162 125.503 1.00 25.36 ? ? ? ? ? ? 20 TYR F N 1 +ATOM 10075 C CA . TYR F 1 21 ? 50.256 27.119 125.449 1.00 24.41 ? ? ? ? ? ? 20 TYR F CA 1 +ATOM 10076 C C . TYR F 1 21 ? 50.434 28.139 126.554 1.00 23.78 ? ? ? ? ? ? 20 TYR F C 1 +ATOM 10077 O O . TYR F 1 21 ? 50.757 27.798 127.678 1.00 25.72 ? ? ? ? ? ? 20 TYR F O 1 +ATOM 10078 C CB . TYR F 1 21 ? 48.884 26.419 125.519 1.00 23.41 ? ? ? ? ? ? 20 TYR F CB 1 +ATOM 10079 C CG . TYR F 1 21 ? 48.572 25.643 124.269 1.00 22.01 ? ? ? ? ? ? 20 TYR F CG 1 +ATOM 10080 C CD1 . TYR F 1 21 ? 49.015 24.340 124.103 1.00 21.30 ? ? ? ? ? ? 20 TYR F CD1 1 +ATOM 10081 C CD2 . TYR F 1 21 ? 47.857 26.203 123.251 1.00 17.35 ? ? ? ? ? ? 20 TYR F CD2 1 +ATOM 10082 C CE1 . TYR F 1 21 ? 48.760 23.642 122.948 1.00 20.14 ? ? ? ? ? ? 20 TYR F CE1 1 +ATOM 10083 C CE2 . TYR F 1 21 ? 47.576 25.490 122.109 1.00 18.20 ? ? ? ? ? ? 20 TYR F CE2 1 +ATOM 10084 C CZ . TYR F 1 21 ? 48.056 24.207 121.959 1.00 19.39 ? ? ? ? ? ? 20 TYR F CZ 1 +ATOM 10085 O OH . TYR F 1 21 ? 47.828 23.491 120.798 1.00 22.82 ? ? ? ? ? ? 20 TYR F OH 1 +ATOM 10086 N N . ASP F 1 22 ? 50.237 29.397 126.197 1.00 24.83 ? ? ? ? ? ? 21 ASP F N 1 +ATOM 10087 C CA . ASP F 1 22 ? 50.430 30.537 127.100 1.00 26.15 ? ? ? ? ? ? 21 ASP F CA 1 +ATOM 10088 C C . ASP F 1 22 ? 49.118 31.000 127.739 1.00 26.01 ? ? ? ? ? ? 21 ASP F C 1 +ATOM 10089 O O . ASP F 1 22 ? 49.038 31.190 128.970 1.00 27.45 ? ? ? ? ? ? 21 ASP F O 1 +ATOM 10090 C CB . ASP F 1 22 ? 51.024 31.706 126.314 1.00 26.38 ? ? ? ? ? ? 21 ASP F CB 1 +ATOM 10091 C CG . ASP F 1 22 ? 52.410 31.404 125.794 1.00 31.87 ? ? ? ? ? ? 21 ASP F CG 1 +ATOM 10092 O OD1 . ASP F 1 22 ? 53.286 31.203 126.645 1.00 37.56 ? ? ? ? ? ? 21 ASP F OD1 1 +ATOM 10093 O OD2 . ASP F 1 22 ? 52.600 31.343 124.553 1.00 31.21 ? ? ? ? ? ? 21 ASP F OD2 1 +ATOM 10094 N N . VAL F 1 23 ? 48.105 31.204 126.904 1.00 24.12 ? ? ? ? ? ? 22 VAL F N 1 +ATOM 10095 C CA . VAL F 1 23 ? 46.789 31.700 127.376 1.00 23.07 ? ? ? ? ? ? 22 VAL F CA 1 +ATOM 10096 C C . VAL F 1 23 ? 45.685 30.767 126.955 1.00 21.45 ? ? ? ? ? ? 22 VAL F C 1 +ATOM 10097 O O . VAL F 1 23 ? 45.770 30.206 125.891 1.00 20.18 ? ? ? ? ? ? 22 VAL F O 1 +ATOM 10098 C CB . VAL F 1 23 ? 46.521 33.126 126.860 1.00 25.08 ? ? ? ? ? ? 22 VAL F CB 1 +ATOM 10099 C CG1 . VAL F 1 23 ? 45.281 33.727 127.513 1.00 22.28 ? ? ? ? ? ? 22 VAL F CG1 1 +ATOM 10100 C CG2 . VAL F 1 23 ? 47.771 33.993 127.075 1.00 22.07 ? ? ? ? ? ? 22 VAL F CG2 1 +ATOM 10101 N N . ILE F 1 24 ? 44.666 30.585 127.814 1.00 20.41 ? ? ? ? ? ? 23 ILE F N 1 +ATOM 10102 C CA . ILE F 1 24 ? 43.452 29.808 127.474 1.00 18.44 ? ? ? ? ? ? 23 ILE F CA 1 +ATOM 10103 C C . ILE F 1 24 ? 42.312 30.797 127.280 1.00 17.98 ? ? ? ? ? ? 23 ILE F C 1 +ATOM 10104 O O . ILE F 1 24 ? 42.154 31.756 128.030 1.00 18.52 ? ? ? ? ? ? 23 ILE F O 1 +ATOM 10105 C CB . ILE F 1 24 ? 43.058 28.771 128.597 1.00 18.78 ? ? ? ? ? ? 23 ILE F CB 1 +ATOM 10106 C CG1 . ILE F 1 24 ? 44.283 27.936 129.072 1.00 22.14 ? ? ? ? ? ? 23 ILE F CG1 1 +ATOM 10107 C CG2 . ILE F 1 24 ? 41.852 27.909 128.187 1.00 15.61 ? ? ? ? ? ? 23 ILE F CG2 1 +ATOM 10108 C CD1 . ILE F 1 24 ? 45.119 27.309 127.988 1.00 22.20 ? ? ? ? ? ? 23 ILE F CD1 1 +ATOM 10109 N N . ILE F 1 25 ? 41.504 30.573 126.260 1.00 17.81 ? ? ? ? ? ? 24 ILE F N 1 +ATOM 10110 C CA . ILE F 1 25 ? 40.351 31.436 125.986 1.00 19.41 ? ? ? ? ? ? 24 ILE F CA 1 +ATOM 10111 C C . ILE F 1 25 ? 39.117 30.590 126.131 1.00 16.78 ? ? ? ? ? ? 24 ILE F C 1 +ATOM 10112 O O . ILE F 1 25 ? 39.011 29.555 125.494 1.00 17.79 ? ? ? ? ? ? 24 ILE F O 1 +ATOM 10113 C CB . ILE F 1 25 ? 40.353 32.047 124.564 1.00 21.24 ? ? ? ? ? ? 24 ILE F CB 1 +ATOM 10114 C CG1 . ILE F 1 25 ? 41.787 32.431 124.104 1.00 23.60 ? ? ? ? ? ? 24 ILE F CG1 1 +ATOM 10115 C CG2 . ILE F 1 25 ? 39.443 33.171 124.555 1.00 15.04 ? ? ? ? ? ? 24 ILE F CG2 1 +ATOM 10116 C CD1 . ILE F 1 25 ? 42.480 33.326 124.989 1.00 30.14 ? ? ? ? ? ? 24 ILE F CD1 1 +ATOM 10117 N N . LEU F 1 26 ? 38.203 31.008 126.999 1.00 17.38 ? ? ? ? ? ? 25 LEU F N 1 +ATOM 10118 C CA . LEU F 1 26 ? 36.940 30.328 127.183 1.00 17.49 ? ? ? ? ? ? 25 LEU F CA 1 +ATOM 10119 C C . LEU F 1 26 ? 35.802 31.158 126.587 1.00 18.03 ? ? ? ? ? ? 25 LEU F C 1 +ATOM 10120 O O . LEU F 1 26 ? 35.393 32.160 127.178 1.00 19.07 ? ? ? ? ? ? 25 LEU F O 1 +ATOM 10121 C CB . LEU F 1 26 ? 36.706 30.055 128.675 1.00 18.73 ? ? ? ? ? ? 25 LEU F CB 1 +ATOM 10122 C CG . LEU F 1 26 ? 35.461 29.274 129.114 1.00 17.03 ? ? ? ? ? ? 25 LEU F CG 1 +ATOM 10123 C CD1 . LEU F 1 26 ? 35.513 27.871 128.511 1.00 10.71 ? ? ? ? ? ? 25 LEU F CD1 1 +ATOM 10124 C CD2 . LEU F 1 26 ? 35.383 29.248 130.653 1.00 15.65 ? ? ? ? ? ? 25 LEU F CD2 1 +ATOM 10125 N N . PRO F 1 27 ? 35.299 30.767 125.398 1.00 18.35 ? ? ? ? ? ? 26 PRO F N 1 +ATOM 10126 C CA . PRO F 1 27 ? 34.111 31.427 124.911 1.00 18.28 ? ? ? ? ? ? 26 PRO F CA 1 +ATOM 10127 C C . PRO F 1 27 ? 32.879 30.979 125.744 1.00 18.70 ? ? ? ? ? ? 26 PRO F C 1 +ATOM 10128 O O . PRO F 1 27 ? 32.732 29.800 126.082 1.00 18.21 ? ? ? ? ? ? 26 PRO F O 1 +ATOM 10129 C CB . PRO F 1 27 ? 34.021 30.993 123.431 1.00 18.89 ? ? ? ? ? ? 26 PRO F CB 1 +ATOM 10130 C CG . PRO F 1 27 ? 35.300 30.256 123.139 1.00 19.76 ? ? ? ? ? ? 26 PRO F CG 1 +ATOM 10131 C CD . PRO F 1 27 ? 35.767 29.735 124.464 1.00 20.07 ? ? ? ? ? ? 26 PRO F CD 1 +ATOM 10132 N N . TRP F 1 28 ? 32.046 31.942 126.125 1.00 18.75 ? ? ? ? ? ? 27 TRP F N 1 +ATOM 10133 C CA . TRP F 1 28 ? 30.900 31.648 126.953 1.00 17.27 ? ? ? ? ? ? 27 TRP F CA 1 +ATOM 10134 C C . TRP F 1 28 ? 29.709 32.352 126.367 1.00 16.57 ? ? ? ? ? ? 27 TRP F C 1 +ATOM 10135 O O . TRP F 1 28 ? 29.673 33.617 126.238 1.00 16.98 ? ? ? ? ? ? 27 TRP F O 1 +ATOM 10136 C CB . TRP F 1 28 ? 31.169 32.081 128.391 1.00 16.76 ? ? ? ? ? ? 27 TRP F CB 1 +ATOM 10137 C CG . TRP F 1 28 ? 30.290 31.446 129.373 1.00 15.35 ? ? ? ? ? ? 27 TRP F CG 1 +ATOM 10138 C CD1 . TRP F 1 28 ? 28.932 31.346 129.305 1.00 15.30 ? ? ? ? ? ? 27 TRP F CD1 1 +ATOM 10139 C CD2 . TRP F 1 28 ? 30.681 30.798 130.584 1.00 13.93 ? ? ? ? ? ? 27 TRP F CD2 1 +ATOM 10140 N NE1 . TRP F 1 28 ? 28.451 30.703 130.407 1.00 16.73 ? ? ? ? ? ? 27 TRP F NE1 1 +ATOM 10141 C CE2 . TRP F 1 28 ? 29.493 30.361 131.219 1.00 15.12 ? ? ? ? ? ? 27 TRP F CE2 1 +ATOM 10142 C CE3 . TRP F 1 28 ? 31.911 30.581 131.217 1.00 11.18 ? ? ? ? ? ? 27 TRP F CE3 1 +ATOM 10143 C CZ2 . TRP F 1 28 ? 29.494 29.693 132.449 1.00 14.49 ? ? ? ? ? ? 27 TRP F CZ2 1 +ATOM 10144 C CZ3 . TRP F 1 28 ? 31.917 29.929 132.420 1.00 16.71 ? ? ? ? ? ? 27 TRP F CZ3 1 +ATOM 10145 C CH2 . TRP F 1 28 ? 30.711 29.480 133.032 1.00 18.06 ? ? ? ? ? ? 27 TRP F CH2 1 +ATOM 10146 N N . GLY F 1 29 ? 28.748 31.524 125.977 1.00 16.22 ? ? ? ? ? ? 28 GLY F N 1 +ATOM 10147 C CA . GLY F 1 29 ? 27.579 31.948 125.266 1.00 16.87 ? ? ? ? ? ? 28 GLY F CA 1 +ATOM 10148 C C . GLY F 1 29 ? 26.261 31.766 125.995 1.00 16.95 ? ? ? ? ? ? 28 GLY F C 1 +ATOM 10149 O O . GLY F 1 29 ? 26.141 32.069 127.175 1.00 17.03 ? ? ? ? ? ? 28 GLY F O 1 +ATOM 10150 N N . ALA F 1 30 ? 25.271 31.336 125.240 1.00 17.12 ? ? ? ? ? ? 29 ALA F N 1 +ATOM 10151 C CA . ALA F 1 30 ? 23.896 31.169 125.690 1.00 17.08 ? ? ? ? ? ? 29 ALA F CA 1 +ATOM 10152 C C . ALA F 1 30 ? 23.196 30.329 124.633 1.00 17.53 ? ? ? ? ? ? 29 ALA F C 1 +ATOM 10153 O O . ALA F 1 30 ? 23.656 30.276 123.486 1.00 18.60 ? ? ? ? ? ? 29 ALA F O 1 +ATOM 10154 C CB . ALA F 1 30 ? 23.175 32.548 125.845 1.00 14.70 ? ? ? ? ? ? 29 ALA F CB 1 +ATOM 10155 N N . THR F 1 31 ? 22.095 29.689 125.038 1.00 19.05 ? ? ? ? ? ? 30 THR F N 1 +ATOM 10156 C CA . THR F 1 31 ? 21.154 28.999 124.164 1.00 18.40 ? ? ? ? ? ? 30 THR F CA 1 +ATOM 10157 C C . THR F 1 31 ? 19.836 29.826 124.229 1.00 20.01 ? ? ? ? ? ? 30 THR F C 1 +ATOM 10158 O O . THR F 1 31 ? 19.064 29.771 125.204 1.00 18.92 ? ? ? ? ? ? 30 THR F O 1 +ATOM 10159 C CB . THR F 1 31 ? 21.016 27.525 124.607 1.00 18.63 ? ? ? ? ? ? 30 THR F CB 1 +ATOM 10160 O OG1 . THR F 1 31 ? 22.335 26.939 124.705 1.00 17.87 ? ? ? ? ? ? 30 THR F OG1 1 +ATOM 10161 C CG2 . THR F 1 31 ? 20.106 26.681 123.656 1.00 14.28 ? ? ? ? ? ? 30 THR F CG2 1 +ATOM 10162 N N . GLU F 1 32 ? 19.598 30.607 123.179 1.00 20.14 ? ? ? ? ? ? 31 GLU F N 1 +ATOM 10163 C CA . GLU F 1 32 ? 18.754 31.791 123.262 1.00 20.40 ? ? ? ? ? ? 31 GLU F CA 1 +ATOM 10164 C C . GLU F 1 32 ? 18.232 32.178 121.892 1.00 20.95 ? ? ? ? ? ? 31 GLU F C 1 +ATOM 10165 O O . GLU F 1 32 ? 19.012 32.351 120.972 1.00 21.18 ? ? ? ? ? ? 31 GLU F O 1 +ATOM 10166 C CB . GLU F 1 32 ? 19.564 32.968 123.818 1.00 17.96 ? ? ? ? ? ? 31 GLU F CB 1 +ATOM 10167 C CG . GLU F 1 32 ? 18.755 34.221 124.125 1.00 20.65 ? ? ? ? ? ? 31 GLU F CG 1 +ATOM 10168 C CD . GLU F 1 32 ? 19.609 35.422 124.465 1.00 23.66 ? ? ? ? ? ? 31 GLU F CD 1 +ATOM 10169 O OE1 . GLU F 1 32 ? 20.772 35.462 123.993 1.00 22.59 ? ? ? ? ? ? 31 GLU F OE1 1 +ATOM 10170 O OE2 . GLU F 1 32 ? 19.126 36.333 125.181 1.00 22.23 ? ? ? ? ? ? 31 GLU F OE2 1 +ATOM 10171 N N . PRO F 1 33 ? 16.909 32.335 121.761 1.00 22.29 ? ? ? ? ? ? 32 PRO F N 1 +ATOM 10172 C CA . PRO F 1 33 ? 16.362 32.843 120.511 1.00 22.48 ? ? ? ? ? ? 32 PRO F CA 1 +ATOM 10173 C C . PRO F 1 33 ? 16.917 34.260 120.190 1.00 21.57 ? ? ? ? ? ? 32 PRO F C 1 +ATOM 10174 O O . PRO F 1 33 ? 17.074 35.081 121.094 1.00 20.32 ? ? ? ? ? ? 32 PRO F O 1 +ATOM 10175 C CB . PRO F 1 33 ? 14.861 32.907 120.773 1.00 22.89 ? ? ? ? ? ? 32 PRO F CB 1 +ATOM 10176 C CG . PRO F 1 33 ? 14.610 32.108 122.004 1.00 24.67 ? ? ? ? ? ? 32 PRO F CG 1 +ATOM 10177 C CD . PRO F 1 33 ? 15.872 32.067 122.764 1.00 21.27 ? ? ? ? ? ? 32 PRO F CD 1 +ATOM 10178 N N . HIS F 1 34 ? 17.212 34.483 118.910 1.00 20.48 ? ? ? ? ? ? 33 HIS F N 1 +ATOM 10179 C CA . HIS F 1 34 ? 17.773 35.717 118.388 1.00 19.95 ? ? ? ? ? ? 33 HIS F CA 1 +ATOM 10180 C C . HIS F 1 34 ? 16.926 36.246 117.247 1.00 20.51 ? ? ? ? ? ? 33 HIS F C 1 +ATOM 10181 O O . HIS F 1 34 ? 17.218 35.972 116.090 1.00 18.71 ? ? ? ? ? ? 33 HIS F O 1 +ATOM 10182 C CB . HIS F 1 34 ? 19.183 35.438 117.891 1.00 19.84 ? ? ? ? ? ? 33 HIS F CB 1 +ATOM 10183 C CG . HIS F 1 34 ? 20.197 35.518 118.982 1.00 20.43 ? ? ? ? ? ? 33 HIS F CG 1 +ATOM 10184 N ND1 . HIS F 1 34 ? 20.288 34.572 119.990 1.00 18.28 ? ? ? ? ? ? 33 HIS F ND1 1 +ATOM 10185 C CD2 . HIS F 1 34 ? 21.111 36.471 119.266 1.00 16.14 ? ? ? ? ? ? 33 HIS F CD2 1 +ATOM 10186 C CE1 . HIS F 1 34 ? 21.260 34.919 120.816 1.00 22.08 ? ? ? ? ? ? 33 HIS F CE1 1 +ATOM 10187 N NE2 . HIS F 1 34 ? 21.768 36.072 120.403 1.00 20.17 ? ? ? ? ? ? 33 HIS F NE2 1 +ATOM 10188 N N . ASN F 1 35 ? 15.869 36.986 117.564 1.00 21.28 ? ? ? ? ? ? 34 ASN F N 1 +ATOM 10189 C CA . ASN F 1 35 ? 14.873 37.337 116.564 1.00 21.86 ? ? ? ? ? ? 34 ASN F CA 1 +ATOM 10190 C C . ASN F 1 35 ? 14.404 36.017 115.921 1.00 23.55 ? ? ? ? ? ? 34 ASN F C 1 +ATOM 10191 O O . ASN F 1 35 ? 14.511 34.969 116.531 1.00 24.23 ? ? ? ? ? ? 34 ASN F O 1 +ATOM 10192 C CB . ASN F 1 35 ? 15.509 38.298 115.561 1.00 22.04 ? ? ? ? ? ? 34 ASN F CB 1 +ATOM 10193 C CG . ASN F 1 35 ? 14.498 39.092 114.746 1.00 22.18 ? ? ? ? ? ? 34 ASN F CG 1 +ATOM 10194 O OD1 . ASN F 1 35 ? 13.606 38.518 114.126 1.00 19.61 ? ? ? ? ? ? 34 ASN F OD1 1 +ATOM 10195 N ND2 . ASN F 1 35 ? 14.676 40.415 114.700 1.00 21.10 ? ? ? ? ? ? 34 ASN F ND2 1 +ATOM 10196 N N . LEU F 1 36 ? 13.941 36.046 114.672 1.00 24.01 ? ? ? ? ? ? 35 LEU F N 1 +ATOM 10197 C CA . LEU F 1 36 ? 13.506 34.841 113.999 1.00 23.04 ? ? ? ? ? ? 35 LEU F CA 1 +ATOM 10198 C C . LEU F 1 36 ? 14.574 34.253 113.140 1.00 21.81 ? ? ? ? ? ? 35 LEU F C 1 +ATOM 10199 O O . LEU F 1 36 ? 14.443 33.126 112.703 1.00 24.56 ? ? ? ? ? ? 35 LEU F O 1 +ATOM 10200 C CB . LEU F 1 36 ? 12.248 35.132 113.150 1.00 25.23 ? ? ? ? ? ? 35 LEU F CB 1 +ATOM 10201 C CG . LEU F 1 36 ? 11.017 35.752 113.849 1.00 25.65 ? ? ? ? ? ? 35 LEU F CG 1 +ATOM 10202 C CD1 . LEU F 1 36 ? 10.028 36.241 112.798 1.00 22.96 ? ? ? ? ? ? 35 LEU F CD1 1 +ATOM 10203 C CD2 . LEU F 1 36 ? 10.352 34.765 114.802 1.00 21.23 ? ? ? ? ? ? 35 LEU F CD2 1 +ATOM 10204 N N . HIS F 1 37 ? 15.656 34.977 112.912 1.00 22.00 ? ? ? ? ? ? 36 HIS F N 1 +ATOM 10205 C CA . HIS F 1 37 ? 16.557 34.660 111.791 1.00 22.10 ? ? ? ? ? ? 36 HIS F CA 1 +ATOM 10206 C C . HIS F 1 37 ? 17.955 34.188 112.192 1.00 22.38 ? ? ? ? ? ? 36 HIS F C 1 +ATOM 10207 O O . HIS F 1 37 ? 18.656 33.575 111.370 1.00 23.01 ? ? ? ? ? ? 36 HIS F O 1 +ATOM 10208 C CB . HIS F 1 37 ? 16.688 35.866 110.867 1.00 22.67 ? ? ? ? ? ? 36 HIS F CB 1 +ATOM 10209 C CG . HIS F 1 37 ? 17.376 37.030 111.499 1.00 19.78 ? ? ? ? ? ? 36 HIS F CG 1 +ATOM 10210 N ND1 . HIS F 1 37 ? 16.943 37.595 112.678 1.00 22.77 ? ? ? ? ? ? 36 HIS F ND1 1 +ATOM 10211 C CD2 . HIS F 1 37 ? 18.471 37.729 111.121 1.00 17.29 ? ? ? ? ? ? 36 HIS F CD2 1 +ATOM 10212 C CE1 . HIS F 1 37 ? 17.752 38.590 113.002 1.00 23.42 ? ? ? ? ? ? 36 HIS F CE1 1 +ATOM 10213 N NE2 . HIS F 1 37 ? 18.689 38.687 112.076 1.00 18.26 ? ? ? ? ? ? 36 HIS F NE2 1 +ATOM 10214 N N . LEU F 1 38 ? 18.373 34.441 113.437 1.00 21.33 ? ? ? ? ? ? 37 LEU F N 1 +ATOM 10215 C CA . LEU F 1 38 ? 19.717 34.034 113.839 1.00 20.32 ? ? ? ? ? ? 37 LEU F CA 1 +ATOM 10216 C C . LEU F 1 38 ? 19.666 32.740 114.650 1.00 19.70 ? ? ? ? ? ? 37 LEU F C 1 +ATOM 10217 O O . LEU F 1 38 ? 18.647 32.434 115.277 1.00 19.45 ? ? ? ? ? ? 37 LEU F O 1 +ATOM 10218 C CB . LEU F 1 38 ? 20.391 35.128 114.637 1.00 18.99 ? ? ? ? ? ? 37 LEU F CB 1 +ATOM 10219 C CG . LEU F 1 38 ? 20.920 36.328 113.854 1.00 17.97 ? ? ? ? ? ? 37 LEU F CG 1 +ATOM 10220 C CD1 . LEU F 1 38 ? 21.144 37.486 114.870 1.00 12.80 ? ? ? ? ? ? 37 LEU F CD1 1 +ATOM 10221 C CD2 . LEU F 1 38 ? 22.165 35.926 113.065 1.00 18.22 ? ? ? ? ? ? 37 LEU F CD2 1 +ATOM 10222 N N . PRO F 1 39 ? 20.775 32.004 114.653 1.00 20.68 ? ? ? ? ? ? 38 PRO F N 1 +ATOM 10223 C CA . PRO F 1 39 ? 20.856 30.774 115.416 1.00 20.78 ? ? ? ? ? ? 38 PRO F CA 1 +ATOM 10224 C C . PRO F 1 39 ? 20.711 30.939 116.932 1.00 19.75 ? ? ? ? ? ? 38 PRO F C 1 +ATOM 10225 O O . PRO F 1 39 ? 21.208 31.930 117.524 1.00 18.27 ? ? ? ? ? ? 38 PRO F O 1 +ATOM 10226 C CB . PRO F 1 39 ? 22.247 30.219 115.090 1.00 19.96 ? ? ? ? ? ? 38 PRO F CB 1 +ATOM 10227 C CG . PRO F 1 39 ? 22.854 31.128 114.109 1.00 22.73 ? ? ? ? ? ? 38 PRO F CG 1 +ATOM 10228 C CD . PRO F 1 39 ? 22.019 32.298 113.903 1.00 18.81 ? ? ? ? ? ? 38 PRO F CD 1 +ATOM 10229 N N . TYR F 1 40 ? 20.062 29.934 117.533 1.00 19.27 ? ? ? ? ? ? 39 TYR F N 1 +ATOM 10230 C CA . TYR F 1 40 ? 20.001 29.758 119.000 1.00 18.87 ? ? ? ? ? ? 39 TYR F CA 1 +ATOM 10231 C C . TYR F 1 40 ? 21.356 29.822 119.669 1.00 18.10 ? ? ? ? ? ? 39 TYR F C 1 +ATOM 10232 O O . TYR F 1 40 ? 21.459 30.274 120.803 1.00 18.60 ? ? ? ? ? ? 39 TYR F O 1 +ATOM 10233 C CB . TYR F 1 40 ? 19.343 28.427 119.389 1.00 18.01 ? ? ? ? ? ? 39 TYR F CB 1 +ATOM 10234 C CG . TYR F 1 40 ? 17.837 28.481 119.452 1.00 20.18 ? ? ? ? ? ? 39 TYR F CG 1 +ATOM 10235 C CD1 . TYR F 1 40 ? 17.078 28.361 118.315 1.00 17.22 ? ? ? ? ? ? 39 TYR F CD1 1 +ATOM 10236 C CD2 . TYR F 1 40 ? 17.171 28.627 120.669 1.00 17.47 ? ? ? ? ? ? 39 TYR F CD2 1 +ATOM 10237 C CE1 . TYR F 1 40 ? 15.680 28.400 118.388 1.00 23.79 ? ? ? ? ? ? 39 TYR F CE1 1 +ATOM 10238 C CE2 . TYR F 1 40 ? 15.795 28.676 120.741 1.00 18.99 ? ? ? ? ? ? 39 TYR F CE2 1 +ATOM 10239 C CZ . TYR F 1 40 ? 15.053 28.564 119.606 1.00 19.70 ? ? ? ? ? ? 39 TYR F CZ 1 +ATOM 10240 O OH . TYR F 1 40 ? 13.659 28.581 119.669 1.00 24.84 ? ? ? ? ? ? 39 TYR F OH 1 +ATOM 10241 N N . LEU F 1 41 ? 22.400 29.395 118.965 1.00 18.18 ? ? ? ? ? ? 40 LEU F N 1 +ATOM 10242 C CA . LEU F 1 41 ? 23.771 29.419 119.522 1.00 17.30 ? ? ? ? ? ? 40 LEU F CA 1 +ATOM 10243 C C . LEU F 1 41 ? 24.642 30.574 119.075 1.00 17.73 ? ? ? ? ? ? 40 LEU F C 1 +ATOM 10244 O O . LEU F 1 41 ? 25.832 30.514 119.244 1.00 18.17 ? ? ? ? ? ? 40 LEU F O 1 +ATOM 10245 C CB . LEU F 1 41 ? 24.473 28.088 119.212 1.00 18.66 ? ? ? ? ? ? 40 LEU F CB 1 +ATOM 10246 C CG . LEU F 1 41 ? 23.944 26.844 119.944 1.00 16.85 ? ? ? ? ? ? 40 LEU F CG 1 +ATOM 10247 C CD1 . LEU F 1 41 ? 24.804 25.639 119.588 1.00 18.53 ? ? ? ? ? ? 40 LEU F CD1 1 +ATOM 10248 C CD2 . LEU F 1 41 ? 24.026 27.046 121.448 1.00 17.22 ? ? ? ? ? ? 40 LEU F CD2 1 +ATOM 10249 N N . THR F 1 42 ? 24.049 31.634 118.540 1.00 18.59 ? ? ? ? ? ? 41 THR F N 1 +ATOM 10250 C CA . THR F 1 42 ? 24.770 32.883 118.155 1.00 18.11 ? ? ? ? ? ? 41 THR F CA 1 +ATOM 10251 C C . THR F 1 42 ? 25.772 33.351 119.198 1.00 18.60 ? ? ? ? ? ? 41 THR F C 1 +ATOM 10252 O O . THR F 1 42 ? 26.889 33.704 118.866 1.00 17.97 ? ? ? ? ? ? 41 THR F O 1 +ATOM 10253 C CB . THR F 1 42 ? 23.762 34.035 117.839 1.00 19.33 ? ? ? ? ? ? 41 THR F CB 1 +ATOM 10254 O OG1 . THR F 1 42 ? 22.898 33.652 116.745 1.00 19.08 ? ? ? ? ? ? 41 THR F OG1 1 +ATOM 10255 C CG2 . THR F 1 42 ? 24.471 35.384 117.530 1.00 17.47 ? ? ? ? ? ? 41 THR F CG2 1 +ATOM 10256 N N . ASP F 1 43 ? 25.393 33.336 120.471 1.00 19.27 ? ? ? ? ? ? 42 ASP F N 1 +ATOM 10257 C CA . ASP F 1 43 ? 26.279 33.843 121.541 1.00 18.21 ? ? ? ? ? ? 42 ASP F CA 1 +ATOM 10258 C C . ASP F 1 43 ? 27.450 32.946 121.870 1.00 18.11 ? ? ? ? ? ? 42 ASP F C 1 +ATOM 10259 O O . ASP F 1 43 ? 28.357 33.371 122.561 1.00 17.96 ? ? ? ? ? ? 42 ASP F O 1 +ATOM 10260 C CB . ASP F 1 43 ? 25.490 34.140 122.824 1.00 19.63 ? ? ? ? ? ? 42 ASP F CB 1 +ATOM 10261 C CG . ASP F 1 43 ? 24.505 35.259 122.657 1.00 20.79 ? ? ? ? ? ? 42 ASP F CG 1 +ATOM 10262 O OD1 . ASP F 1 43 ? 24.517 35.954 121.602 1.00 21.94 ? ? ? ? ? ? 42 ASP F OD1 1 +ATOM 10263 O OD2 . ASP F 1 43 ? 23.712 35.452 123.599 1.00 19.48 ? ? ? ? ? ? 42 ASP F OD2 1 +ATOM 10264 N N . CYS F 1 44 ? 27.429 31.713 121.377 1.00 18.63 ? ? ? ? ? ? 43 CYS F N 1 +ATOM 10265 C CA . CYS F 1 44 ? 28.566 30.796 121.446 1.00 19.65 ? ? ? ? ? ? 43 CYS F CA 1 +ATOM 10266 C C . CYS F 1 44 ? 29.443 30.901 120.195 1.00 19.36 ? ? ? ? ? ? 43 CYS F C 1 +ATOM 10267 O O . CYS F 1 44 ? 30.671 30.926 120.278 1.00 18.47 ? ? ? ? ? ? 43 CYS F O 1 +ATOM 10268 C CB . CYS F 1 44 ? 28.089 29.338 121.521 1.00 21.95 ? ? ? ? ? ? 43 CYS F CB 1 +ATOM 10269 S SG . CYS F 1 44 ? 27.309 28.770 123.092 1.00 21.68 ? ? ? ? ? ? 43 CYS F SG 1 +ATOM 10270 N N . ILE F 1 45 ? 28.786 30.907 119.044 1.00 18.32 ? ? ? ? ? ? 44 ILE F N 1 +ATOM 10271 C CA . ILE F 1 45 ? 29.448 30.888 117.750 1.00 18.51 ? ? ? ? ? ? 44 ILE F CA 1 +ATOM 10272 C C . ILE F 1 45 ? 30.331 32.111 117.535 1.00 19.65 ? ? ? ? ? ? 44 ILE F C 1 +ATOM 10273 O O . ILE F 1 45 ? 31.472 31.969 117.135 1.00 20.38 ? ? ? ? ? ? 44 ILE F O 1 +ATOM 10274 C CB . ILE F 1 45 ? 28.437 30.819 116.594 1.00 17.24 ? ? ? ? ? ? 44 ILE F CB 1 +ATOM 10275 C CG1 . ILE F 1 45 ? 27.710 29.465 116.588 1.00 20.92 ? ? ? ? ? ? 44 ILE F CG1 1 +ATOM 10276 C CG2 . ILE F 1 45 ? 29.123 31.054 115.277 1.00 17.98 ? ? ? ? ? ? 44 ILE F CG2 1 +ATOM 10277 C CD1 . ILE F 1 45 ? 26.398 29.400 115.818 1.00 16.29 ? ? ? ? ? ? 44 ILE F CD1 1 +ATOM 10278 N N . LEU F 1 46 ? 29.800 33.303 117.791 1.00 18.95 ? ? ? ? ? ? 45 LEU F N 1 +ATOM 10279 C CA . LEU F 1 46 ? 30.522 34.535 117.515 1.00 18.85 ? ? ? ? ? ? 45 LEU F CA 1 +ATOM 10280 C C . LEU F 1 46 ? 31.805 34.704 118.322 1.00 18.41 ? ? ? ? ? ? 45 LEU F C 1 +ATOM 10281 O O . LEU F 1 46 ? 32.863 34.951 117.729 1.00 18.72 ? ? ? ? ? ? 45 LEU F O 1 +ATOM 10282 C CB . LEU F 1 46 ? 29.607 35.741 117.680 1.00 18.91 ? ? ? ? ? ? 45 LEU F CB 1 +ATOM 10283 C CG . LEU F 1 46 ? 28.507 35.783 116.613 1.00 18.95 ? ? ? ? ? ? 45 LEU F CG 1 +ATOM 10284 C CD1 . LEU F 1 46 ? 27.802 37.169 116.584 1.00 18.91 ? ? ? ? ? ? 45 LEU F CD1 1 +ATOM 10285 C CD2 . LEU F 1 46 ? 29.101 35.403 115.251 1.00 14.58 ? ? ? ? ? ? 45 LEU F CD2 1 +ATOM 10286 N N . PRO F 1 47 ? 31.749 34.559 119.668 1.00 19.00 ? ? ? ? ? ? 46 PRO F N 1 +ATOM 10287 C CA . PRO F 1 47 ? 33.042 34.616 120.399 1.00 18.47 ? ? ? ? ? ? 46 PRO F CA 1 +ATOM 10288 C C . PRO F 1 47 ? 34.030 33.512 120.090 1.00 18.43 ? ? ? ? ? ? 46 PRO F C 1 +ATOM 10289 O O . PRO F 1 47 ? 35.213 33.727 120.168 1.00 20.27 ? ? ? ? ? ? 46 PRO F O 1 +ATOM 10290 C CB . PRO F 1 47 ? 32.611 34.551 121.873 1.00 20.09 ? ? ? ? ? ? 46 PRO F CB 1 +ATOM 10291 C CG . PRO F 1 47 ? 31.214 34.054 121.877 1.00 16.21 ? ? ? ? ? ? 46 PRO F CG 1 +ATOM 10292 C CD . PRO F 1 47 ? 30.606 34.478 120.598 1.00 17.23 ? ? ? ? ? ? 46 PRO F CD 1 +ATOM 10293 N N . HIS F 1 48 ? 33.541 32.312 119.769 1.00 19.96 ? ? ? ? ? ? 47 HIS F N 1 +ATOM 10294 C CA . HIS F 1 48 ? 34.440 31.232 119.369 1.00 21.17 ? ? ? ? ? ? 47 HIS F CA 1 +ATOM 10295 C C . HIS F 1 48 ? 35.217 31.645 118.101 1.00 19.56 ? ? ? ? ? ? 47 HIS F C 1 +ATOM 10296 O O . HIS F 1 48 ? 36.445 31.578 118.055 1.00 19.00 ? ? ? ? ? ? 47 HIS F O 1 +ATOM 10297 C CB . HIS F 1 48 ? 33.673 29.935 119.092 1.00 20.12 ? ? ? ? ? ? 47 HIS F CB 1 +ATOM 10298 C CG . HIS F 1 48 ? 34.549 28.850 118.556 1.00 20.25 ? ? ? ? ? ? 47 HIS F CG 1 +ATOM 10299 N ND1 . HIS F 1 48 ? 34.731 28.634 117.207 1.00 25.86 ? ? ? ? ? ? 47 HIS F ND1 1 +ATOM 10300 C CD2 . HIS F 1 48 ? 35.349 27.965 119.190 1.00 20.48 ? ? ? ? ? ? 47 HIS F CD2 1 +ATOM 10301 C CE1 . HIS F 1 48 ? 35.576 27.636 117.033 1.00 24.77 ? ? ? ? ? ? 47 HIS F CE1 1 +ATOM 10302 N NE2 . HIS F 1 48 ? 35.979 27.223 118.221 1.00 27.39 ? ? ? ? ? ? 47 HIS F NE2 1 +ATOM 10303 N N . ASP F 1 49 ? 34.485 32.066 117.077 1.00 20.58 ? ? ? ? ? ? 48 ASP F N 1 +ATOM 10304 C CA . ASP F 1 49 ? 35.113 32.475 115.793 1.00 21.09 ? ? ? ? ? ? 48 ASP F CA 1 +ATOM 10305 C C . ASP F 1 49 ? 36.057 33.683 115.929 1.00 20.50 ? ? ? ? ? ? 48 ASP F C 1 +ATOM 10306 O O . ASP F 1 49 ? 37.191 33.663 115.413 1.00 21.78 ? ? ? ? ? ? 48 ASP F O 1 +ATOM 10307 C CB . ASP F 1 49 ? 34.030 32.717 114.744 1.00 20.72 ? ? ? ? ? ? 48 ASP F CB 1 +ATOM 10308 C CG . ASP F 1 49 ? 33.356 31.424 114.295 1.00 24.84 ? ? ? ? ? ? 48 ASP F CG 1 +ATOM 10309 O OD1 . ASP F 1 49 ? 33.709 30.334 114.836 1.00 29.63 ? ? ? ? ? ? 48 ASP F OD1 1 +ATOM 10310 O OD2 . ASP F 1 49 ? 32.448 31.494 113.430 1.00 27.75 ? ? ? ? ? ? 48 ASP F OD2 1 +ATOM 10311 N N . ILE F 1 50 ? 35.644 34.712 116.677 1.00 20.09 ? ? ? ? ? ? 49 ILE F N 1 +ATOM 10312 C CA . ILE F 1 50 ? 36.537 35.841 116.987 1.00 18.71 ? ? ? ? ? ? 49 ILE F CA 1 +ATOM 10313 C C . ILE F 1 50 ? 37.802 35.393 117.722 1.00 19.54 ? ? ? ? ? ? 49 ILE F C 1 +ATOM 10314 O O . ILE F 1 50 ? 38.920 35.781 117.363 1.00 20.34 ? ? ? ? ? ? 49 ILE F O 1 +ATOM 10315 C CB . ILE F 1 50 ? 35.813 36.941 117.800 1.00 20.59 ? ? ? ? ? ? 49 ILE F CB 1 +ATOM 10316 C CG1 . ILE F 1 50 ? 34.722 37.594 116.927 1.00 20.43 ? ? ? ? ? ? 49 ILE F CG1 1 +ATOM 10317 C CG2 . ILE F 1 50 ? 36.812 37.965 118.358 1.00 19.73 ? ? ? ? ? ? 49 ILE F CG2 1 +ATOM 10318 C CD1 . ILE F 1 50 ? 33.708 38.370 117.687 1.00 17.81 ? ? ? ? ? ? 49 ILE F CD1 1 +ATOM 10319 N N . ALA F 1 51 ? 37.643 34.577 118.753 1.00 19.75 ? ? ? ? ? ? 50 ALA F N 1 +ATOM 10320 C CA . ALA F 1 51 ? 38.786 34.157 119.580 1.00 19.08 ? ? ? ? ? ? 50 ALA F CA 1 +ATOM 10321 C C . ALA F 1 51 ? 39.775 33.306 118.808 1.00 18.96 ? ? ? ? ? ? 50 ALA F C 1 +ATOM 10322 O O . ALA F 1 51 ? 40.994 33.448 118.980 1.00 20.19 ? ? ? ? ? ? 50 ALA F O 1 +ATOM 10323 C CB . ALA F 1 51 ? 38.301 33.431 120.859 1.00 16.79 ? ? ? ? ? ? 50 ALA F CB 1 +ATOM 10324 N N . VAL F 1 52 ? 39.279 32.418 117.956 1.00 19.74 ? ? ? ? ? ? 51 VAL F N 1 +ATOM 10325 C CA . VAL F 1 52 ? 40.165 31.599 117.086 1.00 20.72 ? ? ? ? ? ? 51 VAL F CA 1 +ATOM 10326 C C . VAL F 1 52 ? 40.951 32.506 116.122 1.00 20.86 ? ? ? ? ? ? 51 VAL F C 1 +ATOM 10327 O O . VAL F 1 52 ? 42.183 32.371 115.991 1.00 21.11 ? ? ? ? ? ? 51 VAL F O 1 +ATOM 10328 C CB . VAL F 1 52 ? 39.377 30.485 116.345 1.00 21.63 ? ? ? ? ? ? 51 VAL F CB 1 +ATOM 10329 C CG1 . VAL F 1 52 ? 40.193 29.862 115.180 1.00 21.87 ? ? ? ? ? ? 51 VAL F CG1 1 +ATOM 10330 C CG2 . VAL F 1 52 ? 38.996 29.420 117.318 1.00 16.84 ? ? ? ? ? ? 51 VAL F CG2 1 +ATOM 10331 N N . GLU F 1 53 ? 40.261 33.464 115.509 1.00 21.28 ? ? ? ? ? ? 52 GLU F N 1 +ATOM 10332 C CA . GLU F 1 53 ? 40.920 34.432 114.631 1.00 23.55 ? ? ? ? ? ? 52 GLU F CA 1 +ATOM 10333 C C . GLU F 1 53 ? 42.004 35.230 115.377 1.00 21.51 ? ? ? ? ? ? 52 GLU F C 1 +ATOM 10334 O O . GLU F 1 53 ? 43.052 35.436 114.856 1.00 22.71 ? ? ? ? ? ? 52 GLU F O 1 +ATOM 10335 C CB . GLU F 1 53 ? 39.915 35.406 114.040 1.00 22.69 ? ? ? ? ? ? 52 GLU F CB 1 +ATOM 10336 C CG . GLU F 1 53 ? 39.553 35.211 112.589 1.00 33.88 ? ? ? ? ? ? 52 GLU F CG 1 +ATOM 10337 C CD . GLU F 1 53 ? 39.153 36.523 111.919 1.00 31.07 ? ? ? ? ? ? 52 GLU F CD 1 +ATOM 10338 O OE1 . GLU F 1 53 ? 40.078 37.263 111.511 1.00 42.54 ? ? ? ? ? ? 52 GLU F OE1 1 +ATOM 10339 O OE2 . GLU F 1 53 ? 37.937 36.829 111.818 1.00 35.09 ? ? ? ? ? ? 52 GLU F OE2 1 +ATOM 10340 N N . ALA F 1 54 ? 41.726 35.674 116.598 1.00 21.00 ? ? ? ? ? ? 53 ALA F N 1 +ATOM 10341 C CA . ALA F 1 54 ? 42.709 36.435 117.374 1.00 19.21 ? ? ? ? ? ? 53 ALA F CA 1 +ATOM 10342 C C . ALA F 1 54 ? 43.862 35.547 117.825 1.00 20.15 ? ? ? ? ? ? 53 ALA F C 1 +ATOM 10343 O O . ALA F 1 54 ? 45.008 36.014 117.891 1.00 20.64 ? ? ? ? ? ? 53 ALA F O 1 +ATOM 10344 C CB . ALA F 1 54 ? 42.067 37.140 118.559 1.00 17.80 ? ? ? ? ? ? 53 ALA F CB 1 +ATOM 10345 N N . ALA F 1 55 ? 43.568 34.292 118.160 1.00 20.10 ? ? ? ? ? ? 54 ALA F N 1 +ATOM 10346 C CA . ALA F 1 55 ? 44.603 33.306 118.517 1.00 21.23 ? ? ? ? ? ? 54 ALA F CA 1 +ATOM 10347 C C . ALA F 1 55 ? 45.560 33.071 117.344 1.00 20.80 ? ? ? ? ? ? 54 ALA F C 1 +ATOM 10348 O O . ALA F 1 55 ? 46.782 33.000 117.513 1.00 22.40 ? ? ? ? ? ? 54 ALA F O 1 +ATOM 10349 C CB . ALA F 1 55 ? 43.938 31.923 118.992 1.00 21.24 ? ? ? ? ? ? 54 ALA F CB 1 +ATOM 10350 N N . GLU F 1 56 ? 44.996 32.946 116.154 1.00 22.29 ? ? ? ? ? ? 55 GLU F N 1 +ATOM 10351 C CA . GLU F 1 56 ? 45.770 32.758 114.945 1.00 24.12 ? ? ? ? ? ? 55 GLU F CA 1 +ATOM 10352 C C . GLU F 1 56 ? 46.654 33.985 114.673 1.00 24.11 ? ? ? ? ? ? 55 GLU F C 1 +ATOM 10353 O O . GLU F 1 56 ? 47.831 33.851 114.307 1.00 23.77 ? ? ? ? ? ? 55 GLU F O 1 +ATOM 10354 C CB . GLU F 1 56 ? 44.835 32.512 113.759 1.00 24.10 ? ? ? ? ? ? 55 GLU F CB 1 +ATOM 10355 C CG . GLU F 1 56 ? 44.231 31.112 113.721 1.00 25.19 ? ? ? ? ? ? 55 GLU F CG 1 +ATOM 10356 C CD . GLU F 1 56 ? 43.176 30.928 112.622 1.00 28.62 ? ? ? ? ? ? 55 GLU F CD 1 +ATOM 10357 O OE1 . GLU F 1 56 ? 42.530 31.932 112.188 1.00 35.17 ? ? ? ? ? ? 55 GLU F OE1 1 +ATOM 10358 O OE2 . GLU F 1 56 ? 42.971 29.766 112.198 1.00 34.38 ? ? ? ? ? ? 55 GLU F OE2 1 +ATOM 10359 N N . LEU F 1 57 ? 46.090 35.176 114.858 1.00 23.68 ? ? ? ? ? ? 56 LEU F N 1 +ATOM 10360 C CA . LEU F 1 57 ? 46.882 36.400 114.703 1.00 23.34 ? ? ? ? ? ? 56 LEU F CA 1 +ATOM 10361 C C . LEU F 1 57 ? 48.009 36.502 115.715 1.00 24.94 ? ? ? ? ? ? 56 LEU F C 1 +ATOM 10362 O O . LEU F 1 57 ? 49.128 36.833 115.324 1.00 25.89 ? ? ? ? ? ? 56 LEU F O 1 +ATOM 10363 C CB . LEU F 1 57 ? 46.009 37.636 114.790 1.00 24.92 ? ? ? ? ? ? 56 LEU F CB 1 +ATOM 10364 C CG . LEU F 1 57 ? 46.673 38.961 114.452 1.00 25.65 ? ? ? ? ? ? 56 LEU F CG 1 +ATOM 10365 C CD1 . LEU F 1 57 ? 47.145 38.943 113.008 1.00 25.81 ? ? ? ? ? ? 56 LEU F CD1 1 +ATOM 10366 C CD2 . LEU F 1 57 ? 45.669 40.075 114.738 1.00 22.26 ? ? ? ? ? ? 56 LEU F CD2 1 +ATOM 10367 N N . ALA F 1 58 ? 47.740 36.228 116.999 1.00 24.51 ? ? ? ? ? ? 57 ALA F N 1 +ATOM 10368 C CA . ALA F 1 58 ? 48.790 36.305 118.010 1.00 24.16 ? ? ? ? ? ? 57 ALA F CA 1 +ATOM 10369 C C . ALA F 1 58 ? 49.898 35.303 117.725 1.00 24.96 ? ? ? ? ? ? 57 ALA F C 1 +ATOM 10370 O O . ALA F 1 58 ? 51.064 35.580 117.977 1.00 26.22 ? ? ? ? ? ? 57 ALA F O 1 +ATOM 10371 C CB . ALA F 1 58 ? 48.229 36.066 119.425 1.00 24.74 ? ? ? ? ? ? 57 ALA F CB 1 +ATOM 10372 N N . LEU F 1 59 ? 49.529 34.111 117.252 1.00 25.19 ? ? ? ? ? ? 58 LEU F N 1 +ATOM 10373 C CA . LEU F 1 59 ? 50.520 33.077 116.941 1.00 25.89 ? ? ? ? ? ? 58 LEU F CA 1 +ATOM 10374 C C . LEU F 1 59 ? 51.386 33.486 115.753 1.00 27.05 ? ? ? ? ? ? 58 LEU F C 1 +ATOM 10375 O O . LEU F 1 59 ? 52.593 33.370 115.836 1.00 27.25 ? ? ? ? ? ? 58 LEU F O 1 +ATOM 10376 C CB . LEU F 1 59 ? 49.861 31.734 116.647 1.00 26.31 ? ? ? ? ? ? 58 LEU F CB 1 +ATOM 10377 C CG . LEU F 1 59 ? 50.752 30.509 116.401 1.00 27.62 ? ? ? ? ? ? 58 LEU F CG 1 +ATOM 10378 C CD1 . LEU F 1 59 ? 51.701 30.208 117.589 1.00 22.73 ? ? ? ? ? ? 58 LEU F CD1 1 +ATOM 10379 C CD2 . LEU F 1 59 ? 49.872 29.321 116.055 1.00 26.01 ? ? ? ? ? ? 58 LEU F CD2 1 +ATOM 10380 N N . SER F 1 60 ? 50.782 33.952 114.658 1.00 27.84 ? ? ? ? ? ? 59 SER F N 1 +ATOM 10381 C CA . SER F 1 60 ? 51.565 34.258 113.469 1.00 31.19 ? ? ? ? ? ? 59 SER F CA 1 +ATOM 10382 C C . SER F 1 60 ? 52.448 35.493 113.674 1.00 32.20 ? ? ? ? ? ? 59 SER F C 1 +ATOM 10383 O O . SER F 1 60 ? 53.573 35.552 113.167 1.00 34.36 ? ? ? ? ? ? 59 SER F O 1 +ATOM 10384 C CB . SER F 1 60 ? 50.673 34.446 112.244 1.00 31.99 ? ? ? ? ? ? 59 SER F CB 1 +ATOM 10385 O OG . SER F 1 60 ? 49.957 35.685 112.301 1.00 42.02 ? ? ? ? ? ? 59 SER F OG 1 +ATOM 10386 N N . ARG F 1 61 ? 51.939 36.443 114.452 1.00 31.86 ? ? ? ? ? ? 60 ARG F N 1 +ATOM 10387 C CA . ARG F 1 61 ? 52.586 37.709 114.742 1.00 32.27 ? ? ? ? ? ? 60 ARG F CA 1 +ATOM 10388 C C . ARG F 1 61 ? 53.660 37.673 115.837 1.00 31.83 ? ? ? ? ? ? 60 ARG F C 1 +ATOM 10389 O O . ARG F 1 61 ? 54.683 38.342 115.722 1.00 33.14 ? ? ? ? ? ? 60 ARG F O 1 +ATOM 10390 C CB . ARG F 1 61 ? 51.470 38.669 115.164 1.00 32.78 ? ? ? ? ? ? 60 ARG F CB 1 +ATOM 10391 C CG . ARG F 1 61 ? 51.892 40.042 115.464 1.00 36.97 ? ? ? ? ? ? 60 ARG F CG 1 +ATOM 10392 C CD . ARG F 1 61 ? 50.688 40.981 115.389 1.00 38.11 ? ? ? ? ? ? 60 ARG F CD 1 +ATOM 10393 N NE . ARG F 1 61 ? 50.077 41.206 116.694 1.00 37.41 ? ? ? ? ? ? 60 ARG F NE 1 +ATOM 10394 C CZ . ARG F 1 61 ? 49.011 41.975 116.870 1.00 34.83 ? ? ? ? ? ? 60 ARG F CZ 1 +ATOM 10395 N NH1 . ARG F 1 61 ? 48.440 42.560 115.828 1.00 35.95 ? ? ? ? ? ? 60 ARG F NH1 1 +ATOM 10396 N NH2 . ARG F 1 61 ? 48.521 42.170 118.091 1.00 38.96 ? ? ? ? ? ? 60 ARG F NH2 1 +ATOM 10397 N N . SER F 1 62 ? 53.431 36.918 116.910 1.00 31.12 ? ? ? ? ? ? 61 SER F N 1 +ATOM 10398 C CA . SER F 1 62 ? 54.349 36.917 118.069 1.00 32.21 ? ? ? ? ? ? 61 SER F CA 1 +ATOM 10399 C C . SER F 1 62 ? 54.807 35.565 118.540 1.00 29.28 ? ? ? ? ? ? 61 SER F C 1 +ATOM 10400 O O . SER F 1 62 ? 55.601 35.481 119.469 1.00 29.30 ? ? ? ? ? ? 61 SER F O 1 +ATOM 10401 C CB . SER F 1 62 ? 53.684 37.580 119.284 1.00 34.47 ? ? ? ? ? ? 61 SER F CB 1 +ATOM 10402 O OG . SER F 1 62 ? 53.131 38.839 118.948 1.00 47.68 ? ? ? ? ? ? 61 SER F OG 1 +ATOM 10403 N N . GLY F 1 63 ? 54.284 34.494 117.969 1.00 28.65 ? ? ? ? ? ? 62 GLY F N 1 +ATOM 10404 C CA . GLY F 1 63 ? 54.587 33.150 118.475 1.00 28.23 ? ? ? ? ? ? 62 GLY F CA 1 +ATOM 10405 C C . GLY F 1 63 ? 53.924 32.851 119.817 1.00 28.18 ? ? ? ? ? ? 62 GLY F C 1 +ATOM 10406 O O . GLY F 1 63 ? 54.271 31.890 120.498 1.00 30.08 ? ? ? ? ? ? 62 GLY F O 1 +ATOM 10407 N N . VAL F 1 64 ? 52.966 33.677 120.217 1.00 27.72 ? ? ? ? ? ? 63 VAL F N 1 +ATOM 10408 C CA . VAL F 1 64 ? 52.216 33.431 121.435 1.00 26.02 ? ? ? ? ? ? 63 VAL F CA 1 +ATOM 10409 C C . VAL F 1 64 ? 51.072 32.492 121.062 1.00 25.10 ? ? ? ? ? ? 63 VAL F C 1 +ATOM 10410 O O . VAL F 1 64 ? 50.306 32.793 120.160 1.00 24.19 ? ? ? ? ? ? 63 VAL F O 1 +ATOM 10411 C CB . VAL F 1 64 ? 51.706 34.729 122.063 1.00 26.43 ? ? ? ? ? ? 63 VAL F CB 1 +ATOM 10412 C CG1 . VAL F 1 64 ? 50.671 34.421 123.147 1.00 25.20 ? ? ? ? ? ? 63 VAL F CG1 1 +ATOM 10413 C CG2 . VAL F 1 64 ? 52.887 35.511 122.635 1.00 24.97 ? ? ? ? ? ? 63 VAL F CG2 1 +ATOM 10414 N N . ARG F 1 65 ? 50.990 31.353 121.756 1.00 24.19 ? ? ? ? ? ? 64 ARG F N 1 +ATOM 10415 C CA . ARG F 1 65 ? 50.048 30.280 121.429 1.00 23.81 ? ? ? ? ? ? 64 ARG F CA 1 +ATOM 10416 C C . ARG F 1 65 ? 48.961 30.130 122.475 1.00 23.24 ? ? ? ? ? ? 64 ARG F C 1 +ATOM 10417 O O . ARG F 1 65 ? 49.258 29.804 123.635 1.00 22.77 ? ? ? ? ? ? 64 ARG F O 1 +ATOM 10418 C CB . ARG F 1 65 ? 50.787 28.942 121.304 1.00 23.86 ? ? ? ? ? ? 64 ARG F CB 1 +ATOM 10419 C CG . ARG F 1 65 ? 49.907 27.875 120.661 1.00 28.23 ? ? ? ? ? ? 64 ARG F CG 1 +ATOM 10420 C CD . ARG F 1 65 ? 50.567 26.506 120.609 1.00 27.84 ? ? ? ? ? ? 64 ARG F CD 1 +ATOM 10421 N NE . ARG F 1 65 ? 51.558 26.436 119.549 1.00 28.30 ? ? ? ? ? ? 64 ARG F NE 1 +ATOM 10422 C CZ . ARG F 1 65 ? 52.877 26.510 119.712 1.00 29.46 ? ? ? ? ? ? 64 ARG F CZ 1 +ATOM 10423 N NH1 . ARG F 1 65 ? 53.425 26.663 120.897 1.00 30.47 ? ? ? ? ? ? 64 ARG F NH1 1 +ATOM 10424 N NH2 . ARG F 1 65 ? 53.661 26.417 118.654 1.00 33.66 ? ? ? ? ? ? 64 ARG F NH2 1 +ATOM 10425 N N . CYS F 1 66 ? 47.711 30.318 122.039 1.00 22.84 ? ? ? ? ? ? 65 CYS F N 1 +ATOM 10426 C CA . CYS F 1 66 ? 46.552 30.252 122.902 1.00 23.22 ? ? ? ? ? ? 65 CYS F CA 1 +ATOM 10427 C C . CYS F 1 66 ? 45.643 29.098 122.480 1.00 23.01 ? ? ? ? ? ? 65 CYS F C 1 +ATOM 10428 O O . CYS F 1 66 ? 45.595 28.708 121.302 1.00 23.93 ? ? ? ? ? ? 65 CYS F O 1 +ATOM 10429 C CB . CYS F 1 66 ? 45.804 31.576 122.843 1.00 23.72 ? ? ? ? ? ? 65 CYS F CB 1 +ATOM 10430 S SG . CYS F 1 66 ? 46.886 33.023 123.178 1.00 27.36 ? ? ? ? ? ? 65 CYS F SG 1 +ATOM 10431 N N . MSE F 1 67 ? 44.941 28.527 123.445 1.00 20.92 ? ? ? ? ? ? 66 MSE F N 1 +ATOM 10432 C CA . MSE F 1 67 ? 43.936 27.520 123.128 1.00 19.03 ? ? ? ? ? ? 66 MSE F CA 1 +ATOM 10433 C C . MSE F 1 67 ? 42.567 28.107 123.307 1.00 18.71 ? ? ? ? ? ? 66 MSE F C 1 +ATOM 10434 O O . MSE F 1 67 ? 42.238 28.584 124.394 1.00 18.59 ? ? ? ? ? ? 66 MSE F O 1 +ATOM 10435 C CB . MSE F 1 67 ? 44.073 26.322 124.059 1.00 20.56 ? ? ? ? ? ? 66 MSE F CB 1 +ATOM 10436 C CG . MSE F 1 67 ? 43.141 25.146 123.727 1.00 20.05 ? ? ? ? ? ? 66 MSE F CG 1 +ATOM 10437 SE SE . MSE F 1 67 ? 43.091 24.628 121.839 0.75 22.25 ? ? ? ? ? ? 66 MSE F SE 1 +ATOM 10438 C CE . MSE F 1 67 ? 44.311 23.074 121.821 1.00 18.05 ? ? ? ? ? ? 66 MSE F CE 1 +ATOM 10439 N N . VAL F 1 68 ? 41.727 27.978 122.288 1.00 18.84 ? ? ? ? ? ? 67 VAL F N 1 +ATOM 10440 C CA . VAL F 1 68 ? 40.315 28.295 122.425 1.00 17.74 ? ? ? ? ? ? 67 VAL F CA 1 +ATOM 10441 C C . VAL F 1 68 ? 39.504 27.055 122.785 1.00 19.08 ? ? ? ? ? ? 67 VAL F C 1 +ATOM 10442 O O . VAL F 1 68 ? 39.430 26.092 122.019 1.00 18.83 ? ? ? ? ? ? 67 VAL F O 1 +ATOM 10443 C CB . VAL F 1 68 ? 39.758 28.968 121.175 1.00 19.03 ? ? ? ? ? ? 67 VAL F CB 1 +ATOM 10444 C CG1 . VAL F 1 68 ? 38.260 29.396 121.389 1.00 18.29 ? ? ? ? ? ? 67 VAL F CG1 1 +ATOM 10445 C CG2 . VAL F 1 68 ? 40.615 30.151 120.806 1.00 17.91 ? ? ? ? ? ? 67 VAL F CG2 1 +ATOM 10446 N N . MSE F 1 69 ? 38.920 27.093 123.981 1.00 18.27 ? ? ? ? ? ? 68 MSE F N 1 +ATOM 10447 C CA . MSE F 1 69 ? 38.138 26.012 124.488 1.00 18.34 ? ? ? ? ? ? 68 MSE F CA 1 +ATOM 10448 C C . MSE F 1 69 ? 36.726 25.919 123.813 1.00 19.18 ? ? ? ? ? ? 68 MSE F C 1 +ATOM 10449 O O . MSE F 1 69 ? 36.289 26.833 123.096 1.00 19.05 ? ? ? ? ? ? 68 MSE F O 1 +ATOM 10450 C CB . MSE F 1 69 ? 37.991 26.149 126.008 1.00 19.60 ? ? ? ? ? ? 68 MSE F CB 1 +ATOM 10451 C CG . MSE F 1 69 ? 39.279 26.186 126.793 1.00 18.22 ? ? ? ? ? ? 68 MSE F CG 1 +ATOM 10452 SE SE . MSE F 1 69 ? 40.270 24.511 126.774 0.75 17.40 ? ? ? ? ? ? 68 MSE F SE 1 +ATOM 10453 C CE . MSE F 1 69 ? 38.914 23.291 127.779 1.00 16.96 ? ? ? ? ? ? 68 MSE F CE 1 +ATOM 10454 N N . PRO F 1 70 ? 36.044 24.776 123.995 1.00 19.36 ? ? ? ? ? ? 69 PRO F N 1 +ATOM 10455 C CA . PRO F 1 70 ? 34.682 24.727 123.478 1.00 21.59 ? ? ? ? ? ? 69 PRO F CA 1 +ATOM 10456 C C . PRO F 1 70 ? 33.786 25.780 124.142 1.00 21.78 ? ? ? ? ? ? 69 PRO F C 1 +ATOM 10457 O O . PRO F 1 70 ? 33.864 25.999 125.347 1.00 20.62 ? ? ? ? ? ? 69 PRO F O 1 +ATOM 10458 C CB . PRO F 1 70 ? 34.239 23.299 123.815 1.00 22.09 ? ? ? ? ? ? 69 PRO F CB 1 +ATOM 10459 C CG . PRO F 1 70 ? 35.511 22.536 123.933 1.00 20.85 ? ? ? ? ? ? 69 PRO F CG 1 +ATOM 10460 C CD . PRO F 1 70 ? 36.430 23.492 124.614 1.00 17.75 ? ? ? ? ? ? 69 PRO F CD 1 +ATOM 10461 N N . PRO F 1 71 ? 32.943 26.439 123.359 1.00 22.51 ? ? ? ? ? ? 70 PRO F N 1 +ATOM 10462 C CA . PRO F 1 71 ? 32.042 27.421 123.993 1.00 22.16 ? ? ? ? ? ? 70 PRO F CA 1 +ATOM 10463 C C . PRO F 1 71 ? 31.056 26.855 125.058 1.00 21.71 ? ? ? ? ? ? 70 PRO F C 1 +ATOM 10464 O O . PRO F 1 71 ? 30.553 25.752 124.914 1.00 22.89 ? ? ? ? ? ? 70 PRO F O 1 +ATOM 10465 C CB . PRO F 1 71 ? 31.306 28.051 122.816 1.00 21.81 ? ? ? ? ? ? 70 PRO F CB 1 +ATOM 10466 C CG . PRO F 1 71 ? 31.725 27.355 121.621 1.00 22.11 ? ? ? ? ? ? 70 PRO F CG 1 +ATOM 10467 C CD . PRO F 1 71 ? 32.759 26.352 121.907 1.00 23.20 ? ? ? ? ? ? 70 PRO F CD 1 +ATOM 10468 N N . VAL F 1 72 ? 30.782 27.625 126.113 1.00 21.01 ? ? ? ? ? ? 71 VAL F N 1 +ATOM 10469 C CA . VAL F 1 72 ? 29.853 27.194 127.130 1.00 18.16 ? ? ? ? ? ? 71 VAL F CA 1 +ATOM 10470 C C . VAL F 1 72 ? 28.485 27.701 126.698 1.00 17.48 ? ? ? ? ? ? 71 VAL F C 1 +ATOM 10471 O O . VAL F 1 72 ? 28.292 28.902 126.539 1.00 17.90 ? ? ? ? ? ? 71 VAL F O 1 +ATOM 10472 C CB . VAL F 1 72 ? 30.239 27.727 128.551 1.00 17.93 ? ? ? ? ? ? 71 VAL F CB 1 +ATOM 10473 C CG1 . VAL F 1 72 ? 29.398 27.065 129.600 1.00 14.12 ? ? ? ? ? ? 71 VAL F CG1 1 +ATOM 10474 C CG2 . VAL F 1 72 ? 31.685 27.511 128.845 1.00 14.21 ? ? ? ? ? ? 71 VAL F CG2 1 +ATOM 10475 N N . PRO F 1 73 ? 27.502 26.798 126.490 1.00 17.50 ? ? ? ? ? ? 72 PRO F N 1 +ATOM 10476 C CA . PRO F 1 73 ? 26.240 27.289 125.978 1.00 17.71 ? ? ? ? ? ? 72 PRO F CA 1 +ATOM 10477 C C . PRO F 1 73 ? 25.214 27.631 127.075 1.00 18.07 ? ? ? ? ? ? 72 PRO F C 1 +ATOM 10478 O O . PRO F 1 73 ? 24.021 27.545 126.820 1.00 21.25 ? ? ? ? ? ? 72 PRO F O 1 +ATOM 10479 C CB . PRO F 1 73 ? 25.762 26.094 125.164 1.00 19.11 ? ? ? ? ? ? 72 PRO F CB 1 +ATOM 10480 C CG . PRO F 1 73 ? 26.190 24.922 125.997 1.00 20.25 ? ? ? ? ? ? 72 PRO F CG 1 +ATOM 10481 C CD . PRO F 1 73 ? 27.471 25.333 126.682 1.00 16.91 ? ? ? ? ? ? 72 PRO F CD 1 +ATOM 10482 N N . PHE F 1 74 ? 25.675 27.975 128.282 1.00 17.64 ? ? ? ? ? ? 73 PHE F N 1 +ATOM 10483 C CA . PHE F 1 74 ? 24.791 28.159 129.438 1.00 17.06 ? ? ? ? ? ? 73 PHE F CA 1 +ATOM 10484 C C . PHE F 1 74 ? 24.829 29.618 129.873 1.00 17.52 ? ? ? ? ? ? 73 PHE F C 1 +ATOM 10485 O O . PHE F 1 74 ? 25.742 30.028 130.609 1.00 17.99 ? ? ? ? ? ? 73 PHE F O 1 +ATOM 10486 C CB . PHE F 1 74 ? 25.157 27.205 130.587 1.00 16.89 ? ? ? ? ? ? 73 PHE F CB 1 +ATOM 10487 C CG . PHE F 1 74 ? 25.000 25.765 130.227 1.00 21.58 ? ? ? ? ? ? 73 PHE F CG 1 +ATOM 10488 C CD1 . PHE F 1 74 ? 23.732 25.222 130.039 1.00 22.28 ? ? ? ? ? ? 73 PHE F CD1 1 +ATOM 10489 C CD2 . PHE F 1 74 ? 26.092 24.952 130.037 1.00 15.40 ? ? ? ? ? ? 73 PHE F CD2 1 +ATOM 10490 C CE1 . PHE F 1 74 ? 23.578 23.918 129.622 1.00 20.55 ? ? ? ? ? ? 73 PHE F CE1 1 +ATOM 10491 C CE2 . PHE F 1 74 ? 25.932 23.620 129.638 1.00 18.87 ? ? ? ? ? ? 73 PHE F CE2 1 +ATOM 10492 C CZ . PHE F 1 74 ? 24.672 23.116 129.423 1.00 17.23 ? ? ? ? ? ? 73 PHE F CZ 1 +ATOM 10493 N N . GLY F 1 75 ? 23.818 30.364 129.399 1.00 17.73 ? ? ? ? ? ? 74 GLY F N 1 +ATOM 10494 C CA . GLY F 1 75 ? 23.618 31.785 129.672 1.00 17.37 ? ? ? ? ? ? 74 GLY F CA 1 +ATOM 10495 C C . GLY F 1 75 ? 22.630 32.064 130.781 1.00 16.86 ? ? ? ? ? ? 74 GLY F C 1 +ATOM 10496 O O . GLY F 1 75 ? 21.886 31.186 131.160 1.00 16.76 ? ? ? ? ? ? 74 GLY F O 1 +ATOM 10497 N N . ALA F 1 76 ? 22.716 33.268 131.353 1.00 16.80 ? ? ? ? ? ? 75 ALA F N 1 +ATOM 10498 C CA . ALA F 1 76 ? 21.772 33.819 132.311 1.00 16.92 ? ? ? ? ? ? 75 ALA F CA 1 +ATOM 10499 C C . ALA F 1 76 ? 20.802 34.706 131.538 1.00 18.39 ? ? ? ? ? ? 75 ALA F C 1 +ATOM 10500 O O . ALA F 1 76 ? 21.223 35.697 130.889 1.00 19.93 ? ? ? ? ? ? 75 ALA F O 1 +ATOM 10501 C CB . ALA F 1 76 ? 22.512 34.664 133.349 1.00 17.58 ? ? ? ? ? ? 75 ALA F CB 1 +ATOM 10502 N N . HIS F 1 77 ? 19.511 34.409 131.684 1.00 19.36 ? ? ? ? ? ? 76 HIS F N 1 +ATOM 10503 C CA . HIS F 1 77 ? 18.449 35.035 130.880 1.00 19.61 ? ? ? ? ? ? 76 HIS F CA 1 +ATOM 10504 C C . HIS F 1 77 ? 17.411 35.792 131.679 1.00 20.69 ? ? ? ? ? ? 76 HIS F C 1 +ATOM 10505 O O . HIS F 1 77 ? 17.405 35.736 132.916 1.00 20.06 ? ? ? ? ? ? 76 HIS F O 1 +ATOM 10506 C CB . HIS F 1 77 ? 17.798 33.967 130.005 1.00 20.41 ? ? ? ? ? ? 76 HIS F CB 1 +ATOM 10507 C CG . HIS F 1 77 ? 18.739 33.461 128.981 1.00 18.05 ? ? ? ? ? ? 76 HIS F CG 1 +ATOM 10508 N ND1 . HIS F 1 77 ? 19.237 34.277 127.993 1.00 20.78 ? ? ? ? ? ? 76 HIS F ND1 1 +ATOM 10509 C CD2 . HIS F 1 77 ? 19.400 32.289 128.873 1.00 23.48 ? ? ? ? ? ? 76 HIS F CD2 1 +ATOM 10510 C CE1 . HIS F 1 77 ? 20.110 33.600 127.271 1.00 24.07 ? ? ? ? ? ? 76 HIS F CE1 1 +ATOM 10511 N NE2 . HIS F 1 77 ? 20.229 32.393 127.785 1.00 20.46 ? ? ? ? ? ? 76 HIS F NE2 1 +ATOM 10512 N N . ASN F 1 78 ? 16.564 36.535 130.954 1.00 20.28 ? ? ? ? ? ? 77 ASN F N 1 +ATOM 10513 C CA . ASN F 1 78 ? 15.640 37.459 131.577 1.00 20.95 ? ? ? ? ? ? 77 ASN F CA 1 +ATOM 10514 C C . ASN F 1 78 ? 14.252 36.891 131.720 1.00 21.95 ? ? ? ? ? ? 77 ASN F C 1 +ATOM 10515 O O . ASN F 1 78 ? 13.887 35.915 131.056 1.00 21.92 ? ? ? ? ? ? 77 ASN F O 1 +ATOM 10516 C CB . ASN F 1 78 ? 15.525 38.759 130.744 1.00 21.84 ? ? ? ? ? ? 77 ASN F CB 1 +ATOM 10517 C CG . ASN F 1 78 ? 16.683 39.684 130.929 1.00 22.85 ? ? ? ? ? ? 77 ASN F CG 1 +ATOM 10518 O OD1 . ASN F 1 78 ? 17.775 39.254 131.251 1.00 26.14 ? ? ? ? ? ? 77 ASN F OD1 1 +ATOM 10519 N ND2 . ASN F 1 78 ? 16.461 40.968 130.687 1.00 20.17 ? ? ? ? ? ? 77 ASN F ND2 1 +ATOM 10520 N N . PRO F 1 79 ? 13.434 37.566 132.538 1.00 23.31 ? ? ? ? ? ? 78 PRO F N 1 +ATOM 10521 C CA . PRO F 1 79 ? 12.029 37.219 132.573 1.00 23.08 ? ? ? ? ? ? 78 PRO F CA 1 +ATOM 10522 C C . PRO F 1 79 ? 11.374 37.276 131.183 1.00 23.02 ? ? ? ? ? ? 78 PRO F C 1 +ATOM 10523 O O . PRO F 1 79 ? 11.646 38.179 130.387 1.00 22.66 ? ? ? ? ? ? 78 PRO F O 1 +ATOM 10524 C CB . PRO F 1 79 ? 11.431 38.278 133.508 1.00 23.99 ? ? ? ? ? ? 78 PRO F CB 1 +ATOM 10525 C CG . PRO F 1 79 ? 12.585 38.741 134.346 1.00 24.32 ? ? ? ? ? ? 78 PRO F CG 1 +ATOM 10526 C CD . PRO F 1 79 ? 13.758 38.697 133.436 1.00 22.25 ? ? ? ? ? ? 78 PRO F CD 1 +ATOM 10527 N N . GLY F 1 80 ? 10.536 36.289 130.899 1.00 21.97 ? ? ? ? ? ? 79 GLY F N 1 +ATOM 10528 C CA . GLY F 1 80 ? 9.904 36.160 129.602 1.00 23.61 ? ? ? ? ? ? 79 GLY F CA 1 +ATOM 10529 C C . GLY F 1 80 ? 10.698 35.370 128.567 1.00 23.85 ? ? ? ? ? ? 79 GLY F C 1 +ATOM 10530 O O . GLY F 1 80 ? 10.113 34.951 127.576 1.00 26.06 ? ? ? ? ? ? 79 GLY F O 1 +ATOM 10531 N N . GLN F 1 81 ? 12.001 35.193 128.765 1.00 22.76 ? ? ? ? ? ? 80 GLN F N 1 +ATOM 10532 C CA . GLN F 1 81 ? 12.821 34.423 127.820 1.00 23.74 ? ? ? ? ? ? 80 GLN F CA 1 +ATOM 10533 C C . GLN F 1 81 ? 12.786 32.931 128.072 1.00 24.61 ? ? ? ? ? ? 80 GLN F C 1 +ATOM 10534 O O . GLN F 1 81 ? 12.944 32.151 127.140 1.00 24.86 ? ? ? ? ? ? 80 GLN F O 1 +ATOM 10535 C CB . GLN F 1 81 ? 14.295 34.824 127.858 1.00 23.61 ? ? ? ? ? ? 80 GLN F CB 1 +ATOM 10536 C CG . GLN F 1 81 ? 14.633 36.202 127.260 1.00 23.90 ? ? ? ? ? ? 80 GLN F CG 1 +ATOM 10537 C CD . GLN F 1 81 ? 16.128 36.409 127.108 1.00 24.13 ? ? ? ? ? ? 80 GLN F CD 1 +ATOM 10538 O OE1 . GLN F 1 81 ? 16.855 36.605 128.083 1.00 25.32 ? ? ? ? ? ? 80 GLN F OE1 1 +ATOM 10539 N NE2 . GLN F 1 81 ? 16.595 36.348 125.873 1.00 22.47 ? ? ? ? ? ? 80 GLN F NE2 1 +ATOM 10540 N N . ARG F 1 82 ? 12.663 32.531 129.331 1.00 24.47 ? ? ? ? ? ? 81 ARG F N 1 +ATOM 10541 C CA . ARG F 1 82 ? 12.691 31.126 129.684 1.00 26.42 ? ? ? ? ? ? 81 ARG F CA 1 +ATOM 10542 C C . ARG F 1 82 ? 11.513 30.350 129.041 1.00 26.22 ? ? ? ? ? ? 81 ARG F C 1 +ATOM 10543 O O . ARG F 1 82 ? 11.656 29.187 128.674 1.00 27.28 ? ? ? ? ? ? 81 ARG F O 1 +ATOM 10544 C CB . ARG F 1 82 ? 12.684 31.030 131.213 1.00 27.19 ? ? ? ? ? ? 81 ARG F CB 1 +ATOM 10545 C CG . ARG F 1 82 ? 13.001 29.670 131.798 1.00 29.88 ? ? ? ? ? ? 81 ARG F CG 1 +ATOM 10546 C CD . ARG F 1 82 ? 13.029 29.713 133.338 1.00 30.20 ? ? ? ? ? ? 81 ARG F CD 1 +ATOM 10547 N NE . ARG F 1 82 ? 11.787 30.212 133.951 1.00 34.73 ? ? ? ? ? ? 81 ARG F NE 1 +ATOM 10548 C CZ . ARG F 1 82 ? 11.382 29.918 135.198 1.00 36.71 ? ? ? ? ? ? 81 ARG F CZ 1 +ATOM 10549 N NH1 . ARG F 1 82 ? 12.081 29.123 135.994 1.00 31.31 ? ? ? ? ? ? 81 ARG F NH1 1 +ATOM 10550 N NH2 . ARG F 1 82 ? 10.240 30.409 135.661 1.00 39.36 ? ? ? ? ? ? 81 ARG F NH2 1 +ATOM 10551 N N . GLU F 1 83 ? 10.367 31.012 128.888 1.00 26.81 ? ? ? ? ? ? 82 GLU F N 1 +ATOM 10552 C CA . GLU F 1 83 ? 9.197 30.438 128.256 1.00 29.71 ? ? ? ? ? ? 82 GLU F CA 1 +ATOM 10553 C C . GLU F 1 83 ? 9.322 30.300 126.726 1.00 26.94 ? ? ? ? ? ? 82 GLU F C 1 +ATOM 10554 O O . GLU F 1 83 ? 8.522 29.606 126.099 1.00 25.79 ? ? ? ? ? ? 82 GLU F O 1 +ATOM 10555 C CB . GLU F 1 83 ? 7.951 31.269 128.604 1.00 32.64 ? ? ? ? ? ? 82 GLU F CB 1 +ATOM 10556 C CG . GLU F 1 83 ? 7.860 32.624 127.889 1.00 36.65 ? ? ? ? ? ? 82 GLU F CG 1 +ATOM 10557 C CD . GLU F 1 83 ? 6.904 33.609 128.571 1.00 40.04 ? ? ? ? ? ? 82 GLU F CD 1 +ATOM 10558 O OE1 . GLU F 1 83 ? 7.318 34.259 129.564 1.00 55.43 ? ? ? ? ? ? 82 GLU F OE1 1 +ATOM 10559 O OE2 . GLU F 1 83 ? 5.746 33.741 128.110 1.00 50.78 ? ? ? ? ? ? 82 GLU F OE2 1 +ATOM 10560 N N . LEU F 1 84 ? 10.319 30.936 126.114 1.00 24.83 ? ? ? ? ? ? 83 LEU F N 1 +ATOM 10561 C CA . LEU F 1 84 ? 10.514 30.751 124.675 1.00 24.27 ? ? ? ? ? ? 83 LEU F CA 1 +ATOM 10562 C C . LEU F 1 84 ? 11.156 29.377 124.446 1.00 23.37 ? ? ? ? ? ? 83 LEU F C 1 +ATOM 10563 O O . LEU F 1 84 ? 12.104 29.017 125.142 1.00 21.57 ? ? ? ? ? ? 83 LEU F O 1 +ATOM 10564 C CB . LEU F 1 84 ? 11.370 31.873 124.074 1.00 24.96 ? ? ? ? ? ? 83 LEU F CB 1 +ATOM 10565 C CG . LEU F 1 84 ? 10.846 33.316 124.075 1.00 29.27 ? ? ? ? ? ? 83 LEU F CG 1 +ATOM 10566 C CD1 . LEU F 1 84 ? 11.972 34.307 123.687 1.00 20.63 ? ? ? ? ? ? 83 LEU F CD1 1 +ATOM 10567 C CD2 . LEU F 1 84 ? 9.585 33.539 123.195 1.00 26.90 ? ? ? ? ? ? 83 LEU F CD2 1 +ATOM 10568 N N . PRO F 1 85 ? 10.665 28.621 123.454 1.00 23.13 ? ? ? ? ? ? 84 PRO F N 1 +ATOM 10569 C CA . PRO F 1 85 ? 11.099 27.249 123.292 1.00 22.61 ? ? ? ? ? ? 84 PRO F CA 1 +ATOM 10570 C C . PRO F 1 85 ? 12.606 27.114 123.089 1.00 21.37 ? ? ? ? ? ? 84 PRO F C 1 +ATOM 10571 O O . PRO F 1 85 ? 13.196 27.815 122.264 1.00 20.99 ? ? ? ? ? ? 84 PRO F O 1 +ATOM 10572 C CB . PRO F 1 85 ? 10.315 26.760 122.069 1.00 23.04 ? ? ? ? ? ? 84 PRO F CB 1 +ATOM 10573 C CG . PRO F 1 85 ? 9.911 28.005 121.340 1.00 24.12 ? ? ? ? ? ? 84 PRO F CG 1 +ATOM 10574 C CD . PRO F 1 85 ? 9.731 29.035 122.387 1.00 24.45 ? ? ? ? ? ? 84 PRO F CD 1 +ATOM 10575 N N . PHE F 1 86 ? 13.187 26.213 123.884 1.00 21.30 ? ? ? ? ? ? 85 PHE F N 1 +ATOM 10576 C CA . PHE F 1 86 ? 14.583 25.811 123.842 1.00 20.65 ? ? ? ? ? ? 85 PHE F CA 1 +ATOM 10577 C C . PHE F 1 86 ? 15.574 26.830 124.401 1.00 20.47 ? ? ? ? ? ? 85 PHE F C 1 +ATOM 10578 O O . PHE F 1 86 ? 16.765 26.628 124.318 1.00 21.48 ? ? ? ? ? ? 85 PHE F O 1 +ATOM 10579 C CB . PHE F 1 86 ? 14.986 25.385 122.433 1.00 20.78 ? ? ? ? ? ? 85 PHE F CB 1 +ATOM 10580 C CG . PHE F 1 86 ? 13.980 24.504 121.772 1.00 20.30 ? ? ? ? ? ? 85 PHE F CG 1 +ATOM 10581 C CD1 . PHE F 1 86 ? 13.593 23.320 122.369 1.00 24.23 ? ? ? ? ? ? 85 PHE F CD1 1 +ATOM 10582 C CD2 . PHE F 1 86 ? 13.383 24.879 120.576 1.00 19.79 ? ? ? ? ? ? 85 PHE F CD2 1 +ATOM 10583 C CE1 . PHE F 1 86 ? 12.652 22.519 121.776 1.00 22.47 ? ? ? ? ? ? 85 PHE F CE1 1 +ATOM 10584 C CE2 . PHE F 1 86 ? 12.457 24.088 119.991 1.00 21.26 ? ? ? ? ? ? 85 PHE F CE2 1 +ATOM 10585 C CZ . PHE F 1 86 ? 12.094 22.896 120.578 1.00 18.50 ? ? ? ? ? ? 85 PHE F CZ 1 +ATOM 10586 N N . CYS F 1 87 ? 15.072 27.904 124.992 1.00 20.75 ? ? ? ? ? ? 86 CYS F N 1 +ATOM 10587 C CA . CYS F 1 87 ? 15.928 28.855 125.692 1.00 21.08 ? ? ? ? ? ? 86 CYS F CA 1 +ATOM 10588 C C . CYS F 1 87 ? 16.223 28.254 127.075 1.00 21.55 ? ? ? ? ? ? 86 CYS F C 1 +ATOM 10589 O O . CYS F 1 87 ? 15.289 27.770 127.737 1.00 23.11 ? ? ? ? ? ? 86 CYS F O 1 +ATOM 10590 C CB . CYS F 1 87 ? 15.217 30.192 125.802 1.00 22.56 ? ? ? ? ? ? 86 CYS F CB 1 +ATOM 10591 S SG . CYS F 1 87 ? 16.106 31.386 126.710 1.00 20.53 ? ? ? ? ? ? 86 CYS F SG 1 +ATOM 10592 N N . ILE F 1 88 ? 17.491 28.225 127.480 1.00 19.00 ? ? ? ? ? ? 87 ILE F N 1 +ATOM 10593 C CA . ILE F 1 88 ? 17.879 27.592 128.728 1.00 19.58 ? ? ? ? ? ? 87 ILE F CA 1 +ATOM 10594 C C . ILE F 1 88 ? 18.462 28.620 129.705 1.00 18.92 ? ? ? ? ? ? 87 ILE F C 1 +ATOM 10595 O O . ILE F 1 88 ? 19.601 29.082 129.508 1.00 19.17 ? ? ? ? ? ? 87 ILE F O 1 +ATOM 10596 C CB . ILE F 1 88 ? 18.939 26.433 128.535 1.00 19.22 ? ? ? ? ? ? 87 ILE F CB 1 +ATOM 10597 C CG1 . ILE F 1 88 ? 18.420 25.344 127.569 1.00 20.72 ? ? ? ? ? ? 87 ILE F CG1 1 +ATOM 10598 C CG2 . ILE F 1 88 ? 19.288 25.831 129.871 1.00 15.89 ? ? ? ? ? ? 87 ILE F CG2 1 +ATOM 10599 C CD1 . ILE F 1 88 ? 16.943 24.775 127.883 1.00 17.37 ? ? ? ? ? ? 87 ILE F CD1 1 +ATOM 10600 N N . HIS F 1 89 ? 17.714 28.957 130.767 1.00 18.54 ? ? ? ? ? ? 88 HIS F N 1 +ATOM 10601 C CA . HIS F 1 89 ? 18.244 29.869 131.787 1.00 18.07 ? ? ? ? ? ? 88 HIS F CA 1 +ATOM 10602 C C . HIS F 1 89 ? 19.175 29.068 132.698 1.00 17.22 ? ? ? ? ? ? 88 HIS F C 1 +ATOM 10603 O O . HIS F 1 89 ? 18.818 28.009 133.220 1.00 17.74 ? ? ? ? ? ? 88 HIS F O 1 +ATOM 10604 C CB . HIS F 1 89 ? 17.137 30.601 132.583 1.00 16.64 ? ? ? ? ? ? 88 HIS F CB 1 +ATOM 10605 C CG . HIS F 1 89 ? 17.663 31.367 133.753 1.00 18.99 ? ? ? ? ? ? 88 HIS F CG 1 +ATOM 10606 N ND1 . HIS F 1 89 ? 18.461 32.487 133.615 1.00 19.33 ? ? ? ? ? ? 88 HIS F ND1 1 +ATOM 10607 C CD2 . HIS F 1 89 ? 17.555 31.144 135.084 1.00 19.31 ? ? ? ? ? ? 88 HIS F CD2 1 +ATOM 10608 C CE1 . HIS F 1 89 ? 18.822 32.917 134.809 1.00 19.55 ? ? ? ? ? ? 88 HIS F CE1 1 +ATOM 10609 N NE2 . HIS F 1 89 ? 18.311 32.101 135.715 1.00 18.13 ? ? ? ? ? ? 88 HIS F NE2 1 +ATOM 10610 N N . THR F 1 90 ? 20.360 29.598 132.921 1.00 17.26 ? ? ? ? ? ? 89 THR F N 1 +ATOM 10611 C CA . THR F 1 90 ? 21.284 29.016 133.853 1.00 17.14 ? ? ? ? ? ? 89 THR F CA 1 +ATOM 10612 C C . THR F 1 90 ? 21.407 29.904 135.082 1.00 16.63 ? ? ? ? ? ? 89 THR F C 1 +ATOM 10613 O O . THR F 1 90 ? 21.671 31.099 134.952 1.00 17.28 ? ? ? ? ? ? 89 THR F O 1 +ATOM 10614 C CB . THR F 1 90 ? 22.664 28.878 133.182 1.00 16.55 ? ? ? ? ? ? 89 THR F CB 1 +ATOM 10615 O OG1 . THR F 1 90 ? 22.465 28.435 131.830 1.00 17.89 ? ? ? ? ? ? 89 THR F OG1 1 +ATOM 10616 C CG2 . THR F 1 90 ? 23.499 27.912 133.919 1.00 15.00 ? ? ? ? ? ? 89 THR F CG2 1 +ATOM 10617 N N . ARG F 1 91 ? 21.255 29.319 136.269 1.00 14.75 ? ? ? ? ? ? 90 ARG F N 1 +ATOM 10618 C CA . ARG F 1 91 ? 21.494 30.048 137.524 1.00 15.76 ? ? ? ? ? ? 90 ARG F CA 1 +ATOM 10619 C C . ARG F 1 91 ? 22.965 30.409 137.670 1.00 16.92 ? ? ? ? ? ? 90 ARG F C 1 +ATOM 10620 O O . ARG F 1 91 ? 23.851 29.674 137.219 1.00 16.17 ? ? ? ? ? ? 90 ARG F O 1 +ATOM 10621 C CB . ARG F 1 91 ? 21.060 29.256 138.753 1.00 15.73 ? ? ? ? ? ? 90 ARG F CB 1 +ATOM 10622 C CG . ARG F 1 91 ? 19.569 29.069 138.946 1.00 18.89 ? ? ? ? ? ? 90 ARG F CG 1 +ATOM 10623 C CD . ARG F 1 91 ? 19.272 27.971 139.964 1.00 18.91 ? ? ? ? ? ? 90 ARG F CD 1 +ATOM 10624 N NE . ARG F 1 91 ? 19.742 26.668 139.493 1.00 23.94 ? ? ? ? ? ? 90 ARG F NE 1 +ATOM 10625 C CZ . ARG F 1 91 ? 19.627 25.518 140.149 1.00 26.39 ? ? ? ? ? ? 90 ARG F CZ 1 +ATOM 10626 N NH1 . ARG F 1 91 ? 19.067 25.484 141.333 1.00 28.99 ? ? ? ? ? ? 90 ARG F NH1 1 +ATOM 10627 N NH2 . ARG F 1 91 ? 20.077 24.389 139.614 1.00 24.94 ? ? ? ? ? ? 90 ARG F NH2 1 +ATOM 10628 N N . TYR F 1 92 ? 23.222 31.542 138.322 1.00 17.63 ? ? ? ? ? ? 91 TYR F N 1 +ATOM 10629 C CA . TYR F 1 92 ? 24.589 32.003 138.578 1.00 17.44 ? ? ? ? ? ? 91 TYR F CA 1 +ATOM 10630 C C . TYR F 1 92 ? 25.418 30.917 139.269 1.00 15.46 ? ? ? ? ? ? 91 TYR F C 1 +ATOM 10631 O O . TYR F 1 92 ? 26.583 30.773 138.988 1.00 17.62 ? ? ? ? ? ? 91 TYR F O 1 +ATOM 10632 C CB . TYR F 1 92 ? 24.553 33.278 139.448 1.00 18.77 ? ? ? ? ? ? 91 TYR F CB 1 +ATOM 10633 C CG . TYR F 1 92 ? 25.892 34.020 139.582 1.00 20.00 ? ? ? ? ? ? 91 TYR F CG 1 +ATOM 10634 C CD1 . TYR F 1 92 ? 26.920 33.564 140.449 1.00 22.59 ? ? ? ? ? ? 91 TYR F CD1 1 +ATOM 10635 C CD2 . TYR F 1 92 ? 26.136 35.164 138.844 1.00 23.92 ? ? ? ? ? ? 91 TYR F CD2 1 +ATOM 10636 C CE1 . TYR F 1 92 ? 28.150 34.243 140.553 1.00 20.01 ? ? ? ? ? ? 91 TYR F CE1 1 +ATOM 10637 C CE2 . TYR F 1 92 ? 27.356 35.856 138.966 1.00 24.71 ? ? ? ? ? ? 91 TYR F CE2 1 +ATOM 10638 C CZ . TYR F 1 92 ? 28.338 35.387 139.822 1.00 23.51 ? ? ? ? ? ? 91 TYR F CZ 1 +ATOM 10639 O OH . TYR F 1 92 ? 29.513 36.082 139.887 1.00 30.99 ? ? ? ? ? ? 91 TYR F OH 1 +ATOM 10640 N N . ALA F 1 93 ? 24.829 30.188 140.222 1.00 16.54 ? ? ? ? ? ? 92 ALA F N 1 +ATOM 10641 C CA . ALA F 1 93 ? 25.547 29.144 140.971 1.00 15.86 ? ? ? ? ? ? 92 ALA F CA 1 +ATOM 10642 C C . ALA F 1 93 ? 25.975 28.007 140.064 1.00 15.26 ? ? ? ? ? ? 92 ALA F C 1 +ATOM 10643 O O . ALA F 1 93 ? 27.028 27.387 140.253 1.00 16.06 ? ? ? ? ? ? 92 ALA F O 1 +ATOM 10644 C CB . ALA F 1 93 ? 24.685 28.614 142.150 1.00 15.57 ? ? ? ? ? ? 92 ALA F CB 1 +ATOM 10645 N N . THR F 1 94 ? 25.163 27.724 139.067 1.00 15.71 ? ? ? ? ? ? 93 THR F N 1 +ATOM 10646 C CA . THR F 1 94 ? 25.436 26.665 138.119 1.00 14.41 ? ? ? ? ? ? 93 THR F CA 1 +ATOM 10647 C C . THR F 1 94 ? 26.619 27.086 137.273 1.00 15.64 ? ? ? ? ? ? 93 THR F C 1 +ATOM 10648 O O . THR F 1 94 ? 27.509 26.287 137.034 1.00 15.35 ? ? ? ? ? ? 93 THR F O 1 +ATOM 10649 C CB . THR F 1 94 ? 24.217 26.398 137.204 1.00 12.83 ? ? ? ? ? ? 93 THR F CB 1 +ATOM 10650 O OG1 . THR F 1 94 ? 23.097 26.017 137.997 1.00 14.64 ? ? ? ? ? ? 93 THR F OG1 1 +ATOM 10651 C CG2 . THR F 1 94 ? 24.531 25.297 136.158 1.00 12.30 ? ? ? ? ? ? 93 THR F CG2 1 +ATOM 10652 N N . GLN F 1 95 ? 26.600 28.340 136.803 1.00 16.58 ? ? ? ? ? ? 94 GLN F N 1 +ATOM 10653 C CA . GLN F 1 95 ? 27.715 28.911 136.025 1.00 15.59 ? ? ? ? ? ? 94 GLN F CA 1 +ATOM 10654 C C . GLN F 1 95 ? 28.983 28.887 136.844 1.00 15.55 ? ? ? ? ? ? 94 GLN F C 1 +ATOM 10655 O O . GLN F 1 95 ? 30.035 28.541 136.364 1.00 15.23 ? ? ? ? ? ? 94 GLN F O 1 +ATOM 10656 C CB . GLN F 1 95 ? 27.420 30.336 135.565 1.00 14.53 ? ? ? ? ? ? 94 GLN F CB 1 +ATOM 10657 C CG . GLN F 1 95 ? 26.293 30.446 134.547 1.00 17.24 ? ? ? ? ? ? 94 GLN F CG 1 +ATOM 10658 C CD . GLN F 1 95 ? 26.064 31.864 134.061 1.00 16.58 ? ? ? ? ? ? 94 GLN F CD 1 +ATOM 10659 O OE1 . GLN F 1 95 ? 25.957 32.800 134.848 1.00 23.33 ? ? ? ? ? ? 94 GLN F OE1 1 +ATOM 10660 N NE2 . GLN F 1 95 ? 25.954 32.020 132.767 1.00 15.97 ? ? ? ? ? ? 94 GLN F NE2 1 +ATOM 10661 N N . GLN F 1 96 ? 28.871 29.258 138.104 1.00 17.09 ? ? ? ? ? ? 95 GLN F N 1 +ATOM 10662 C CA . GLN F 1 96 ? 30.051 29.320 138.953 1.00 16.74 ? ? ? ? ? ? 95 GLN F CA 1 +ATOM 10663 C C . GLN F 1 96 ? 30.624 27.923 139.144 1.00 15.18 ? ? ? ? ? ? 95 GLN F C 1 +ATOM 10664 O O . GLN F 1 96 ? 31.820 27.738 139.154 1.00 17.23 ? ? ? ? ? ? 95 GLN F O 1 +ATOM 10665 C CB . GLN F 1 96 ? 29.704 29.985 140.276 1.00 15.80 ? ? ? ? ? ? 95 GLN F CB 1 +ATOM 10666 C CG . GLN F 1 96 ? 30.857 30.071 141.242 1.00 22.35 ? ? ? ? ? ? 95 GLN F CG 1 +ATOM 10667 C CD . GLN F 1 96 ? 30.494 30.800 142.530 1.00 25.93 ? ? ? ? ? ? 95 GLN F CD 1 +ATOM 10668 O OE1 . GLN F 1 96 ? 30.098 31.968 142.511 1.00 35.41 ? ? ? ? ? ? 95 GLN F OE1 1 +ATOM 10669 N NE2 . GLN F 1 96 ? 30.668 30.117 143.664 1.00 39.39 ? ? ? ? ? ? 95 GLN F NE2 1 +ATOM 10670 N N . ALA F 1 97 ? 29.778 26.932 139.300 1.00 15.65 ? ? ? ? ? ? 96 ALA F N 1 +ATOM 10671 C CA . ALA F 1 97 ? 30.225 25.560 139.421 1.00 15.54 ? ? ? ? ? ? 96 ALA F CA 1 +ATOM 10672 C C . ALA F 1 97 ? 30.975 25.130 138.172 1.00 16.35 ? ? ? ? ? ? 96 ALA F C 1 +ATOM 10673 O O . ALA F 1 97 ? 31.981 24.461 138.272 1.00 14.42 ? ? ? ? ? ? 96 ALA F O 1 +ATOM 10674 C CB . ALA F 1 97 ? 29.032 24.612 139.670 1.00 13.48 ? ? ? ? ? ? 96 ALA F CB 1 +ATOM 10675 N N . ILE F 1 98 ? 30.466 25.515 136.995 1.00 16.35 ? ? ? ? ? ? 97 ILE F N 1 +ATOM 10676 C CA . ILE F 1 98 ? 31.120 25.225 135.720 1.00 14.92 ? ? ? ? ? ? 97 ILE F CA 1 +ATOM 10677 C C . ILE F 1 98 ? 32.531 25.817 135.685 1.00 15.85 ? ? ? ? ? ? 97 ILE F C 1 +ATOM 10678 O O . ILE F 1 98 ? 33.496 25.089 135.421 1.00 15.69 ? ? ? ? ? ? 97 ILE F O 1 +ATOM 10679 C CB . ILE F 1 98 ? 30.282 25.729 134.500 1.00 17.71 ? ? ? ? ? ? 97 ILE F CB 1 +ATOM 10680 C CG1 . ILE F 1 98 ? 29.015 24.857 134.332 1.00 19.28 ? ? ? ? ? ? 97 ILE F CG1 1 +ATOM 10681 C CG2 . ILE F 1 98 ? 31.123 25.676 133.220 1.00 13.09 ? ? ? ? ? ? 97 ILE F CG2 1 +ATOM 10682 C CD1 . ILE F 1 98 ? 27.923 25.485 133.446 1.00 12.24 ? ? ? ? ? ? 97 ILE F CD1 1 +ATOM 10683 N N . LEU F 1 99 ? 32.643 27.120 135.965 1.00 16.34 ? ? ? ? ? ? 98 LEU F N 1 +ATOM 10684 C CA . LEU F 1 99 ? 33.946 27.822 135.935 1.00 16.82 ? ? ? ? ? ? 98 LEU F CA 1 +ATOM 10685 C C . LEU F 1 99 ? 34.913 27.263 136.975 1.00 17.33 ? ? ? ? ? ? 98 LEU F C 1 +ATOM 10686 O O . LEU F 1 99 ? 36.095 27.101 136.699 1.00 18.25 ? ? ? ? ? ? 98 LEU F O 1 +ATOM 10687 C CB . LEU F 1 99 ? 33.774 29.329 136.166 1.00 18.38 ? ? ? ? ? ? 98 LEU F CB 1 +ATOM 10688 C CG . LEU F 1 99 ? 35.007 30.248 136.055 1.00 16.82 ? ? ? ? ? ? 98 LEU F CG 1 +ATOM 10689 C CD1 . LEU F 1 99 ? 35.690 30.095 134.682 1.00 13.48 ? ? ? ? ? ? 98 LEU F CD1 1 +ATOM 10690 C CD2 . LEU F 1 99 ? 34.621 31.669 136.295 1.00 13.46 ? ? ? ? ? ? 98 LEU F CD2 1 +ATOM 10691 N N . GLU F 1 100 ? 34.420 26.958 138.169 1.00 18.17 ? ? ? ? ? ? 99 GLU F N 1 +ATOM 10692 C CA . GLU F 1 100 ? 35.216 26.243 139.174 1.00 18.05 ? ? ? ? ? ? 99 GLU F CA 1 +ATOM 10693 C C . GLU F 1 100 ? 35.811 24.975 138.619 1.00 17.84 ? ? ? ? ? ? 99 GLU F C 1 +ATOM 10694 O O . GLU F 1 100 ? 36.996 24.710 138.812 1.00 17.07 ? ? ? ? ? ? 99 GLU F O 1 +ATOM 10695 C CB . GLU F 1 100 ? 34.371 25.926 140.426 1.00 18.96 ? ? ? ? ? ? 99 GLU F CB 1 +ATOM 10696 C CG . GLU F 1 100 ? 34.082 27.208 141.238 1.00 21.28 ? ? ? ? ? ? 99 GLU F CG 1 +ATOM 10697 C CD . GLU F 1 100 ? 33.161 27.018 142.434 1.00 23.74 ? ? ? ? ? ? 99 GLU F CD 1 +ATOM 10698 O OE1 . GLU F 1 100 ? 32.511 25.971 142.517 1.00 20.62 ? ? ? ? ? ? 99 GLU F OE1 1 +ATOM 10699 O OE2 . GLU F 1 100 ? 33.105 27.955 143.281 1.00 27.26 ? ? ? ? ? ? 99 GLU F OE2 1 +ATOM 10700 N N . ASP F 1 101 ? 34.998 24.178 137.920 1.00 16.73 ? ? ? ? ? ? 100 ASP F N 1 +ATOM 10701 C CA . ASP F 1 101 ? 35.486 22.890 137.412 1.00 17.05 ? ? ? ? ? ? 100 ASP F CA 1 +ATOM 10702 C C . ASP F 1 101 ? 36.503 23.083 136.283 1.00 17.48 ? ? ? ? ? ? 100 ASP F C 1 +ATOM 10703 O O . ASP F 1 101 ? 37.479 22.362 136.226 1.00 18.80 ? ? ? ? ? ? 100 ASP F O 1 +ATOM 10704 C CB . ASP F 1 101 ? 34.336 21.953 136.996 1.00 18.10 ? ? ? ? ? ? 100 ASP F CB 1 +ATOM 10705 C CG . ASP F 1 101 ? 33.552 21.408 138.194 1.00 20.74 ? ? ? ? ? ? 100 ASP F CG 1 +ATOM 10706 O OD1 . ASP F 1 101 ? 33.979 21.577 139.344 1.00 21.21 ? ? ? ? ? ? 100 ASP F OD1 1 +ATOM 10707 O OD2 . ASP F 1 101 ? 32.492 20.816 137.984 1.00 22.09 ? ? ? ? ? ? 100 ASP F OD2 1 +ATOM 10708 N N . ILE F 1 102 ? 36.300 24.076 135.430 1.00 17.27 ? ? ? ? ? ? 101 ILE F N 1 +ATOM 10709 C CA . ILE F 1 102 ? 37.215 24.377 134.336 1.00 16.04 ? ? ? ? ? ? 101 ILE F CA 1 +ATOM 10710 C C . ILE F 1 102 ? 38.562 24.851 134.876 1.00 16.68 ? ? ? ? ? ? 101 ILE F C 1 +ATOM 10711 O O . ILE F 1 102 ? 39.609 24.361 134.450 1.00 18.33 ? ? ? ? ? ? 101 ILE F O 1 +ATOM 10712 C CB . ILE F 1 102 ? 36.612 25.455 133.351 1.00 17.19 ? ? ? ? ? ? 101 ILE F CB 1 +ATOM 10713 C CG1 . ILE F 1 102 ? 35.370 24.872 132.667 1.00 17.66 ? ? ? ? ? ? 101 ILE F CG1 1 +ATOM 10714 C CG2 . ILE F 1 102 ? 37.699 25.960 132.328 1.00 14.02 ? ? ? ? ? ? 101 ILE F CG2 1 +ATOM 10715 C CD1 . ILE F 1 102 ? 34.565 25.851 131.830 1.00 14.27 ? ? ? ? ? ? 101 ILE F CD1 1 +ATOM 10716 N N . VAL F 1 103 ? 38.531 25.776 135.825 1.00 17.01 ? ? ? ? ? ? 102 VAL F N 1 +ATOM 10717 C CA . VAL F 1 103 ? 39.742 26.348 136.419 1.00 17.47 ? ? ? ? ? ? 102 VAL F CA 1 +ATOM 10718 C C . VAL F 1 103 ? 40.540 25.315 137.238 1.00 18.16 ? ? ? ? ? ? 102 VAL F C 1 +ATOM 10719 O O . VAL F 1 103 ? 41.759 25.237 137.128 1.00 19.25 ? ? ? ? ? ? 102 VAL F O 1 +ATOM 10720 C CB . VAL F 1 103 ? 39.401 27.567 137.305 1.00 18.96 ? ? ? ? ? ? 102 VAL F CB 1 +ATOM 10721 C CG1 . VAL F 1 103 ? 40.616 27.990 138.148 1.00 16.06 ? ? ? ? ? ? 102 VAL F CG1 1 +ATOM 10722 C CG2 . VAL F 1 103 ? 38.888 28.717 136.441 1.00 18.36 ? ? ? ? ? ? 102 VAL F CG2 1 +ATOM 10723 N N . SER F 1 104 ? 39.845 24.519 138.041 1.00 16.95 ? ? ? ? ? ? 103 SER F N 1 +ATOM 10724 C CA . SER F 1 104 ? 40.462 23.430 138.752 1.00 16.10 ? ? ? ? ? ? 103 SER F CA 1 +ATOM 10725 C C . SER F 1 104 ? 41.275 22.534 137.824 1.00 18.40 ? ? ? ? ? ? 103 SER F C 1 +ATOM 10726 O O . SER F 1 104 ? 42.438 22.204 138.130 1.00 19.53 ? ? ? ? ? ? 103 SER F O 1 +ATOM 10727 C CB . SER F 1 104 ? 39.392 22.594 139.480 1.00 15.45 ? ? ? ? ? ? 103 SER F CB 1 +ATOM 10728 O OG . SER F 1 104 ? 39.987 21.517 140.178 1.00 23.26 ? ? ? ? ? ? 103 SER F OG 1 +ATOM 10729 N N . SER F 1 105 ? 40.642 22.097 136.738 1.00 18.00 ? ? ? ? ? ? 104 SER F N 1 +ATOM 10730 C CA . SER F 1 105 ? 41.302 21.249 135.729 1.00 18.09 ? ? ? ? ? ? 104 SER F CA 1 +ATOM 10731 C C . SER F 1 105 ? 42.476 21.936 135.057 1.00 17.33 ? ? ? ? ? ? 104 SER F C 1 +ATOM 10732 O O . SER F 1 105 ? 43.592 21.428 135.087 1.00 17.52 ? ? ? ? ? ? 104 SER F O 1 +ATOM 10733 C CB . SER F 1 105 ? 40.293 20.790 134.682 1.00 18.62 ? ? ? ? ? ? 104 SER F CB 1 +ATOM 10734 O OG . SER F 1 105 ? 39.444 19.804 135.234 1.00 20.65 ? ? ? ? ? ? 104 SER F OG 1 +ATOM 10735 N N . LEU F 1 106 ? 42.244 23.121 134.507 1.00 17.76 ? ? ? ? ? ? 105 LEU F N 1 +ATOM 10736 C CA . LEU F 1 106 ? 43.334 23.887 133.878 1.00 17.56 ? ? ? ? ? ? 105 LEU F CA 1 +ATOM 10737 C C . LEU F 1 106 ? 44.512 24.158 134.845 1.00 18.78 ? ? ? ? ? ? 105 LEU F C 1 +ATOM 10738 O O . LEU F 1 106 ? 45.667 24.146 134.463 1.00 18.29 ? ? ? ? ? ? 105 LEU F O 1 +ATOM 10739 C CB . LEU F 1 106 ? 42.824 25.209 133.316 1.00 15.69 ? ? ? ? ? ? 105 LEU F CB 1 +ATOM 10740 C CG . LEU F 1 106 ? 41.756 25.210 132.217 1.00 17.10 ? ? ? ? ? ? 105 LEU F CG 1 +ATOM 10741 C CD1 . LEU F 1 106 ? 41.374 26.632 131.930 1.00 13.93 ? ? ? ? ? ? 105 LEU F CD1 1 +ATOM 10742 C CD2 . LEU F 1 106 ? 42.205 24.535 130.950 1.00 12.56 ? ? ? ? ? ? 105 LEU F CD2 1 +ATOM 10743 N N . HIS F 1 107 ? 44.209 24.411 136.110 1.00 19.89 ? ? ? ? ? ? 106 HIS F N 1 +ATOM 10744 C CA . HIS F 1 107 ? 45.261 24.634 137.091 1.00 21.30 ? ? ? ? ? ? 106 HIS F CA 1 +ATOM 10745 C C . HIS F 1 107 ? 46.106 23.378 137.324 1.00 21.12 ? ? ? ? ? ? 106 HIS F C 1 +ATOM 10746 O O . HIS F 1 107 ? 47.325 23.462 137.411 1.00 22.71 ? ? ? ? ? ? 106 HIS F O 1 +ATOM 10747 C CB . HIS F 1 107 ? 44.662 25.133 138.419 1.00 23.64 ? ? ? ? ? ? 106 HIS F CB 1 +ATOM 10748 C CG . HIS F 1 107 ? 45.688 25.675 139.366 1.00 21.97 ? ? ? ? ? ? 106 HIS F CG 1 +ATOM 10749 N ND1 . HIS F 1 107 ? 46.431 24.860 140.188 1.00 24.61 ? ? ? ? ? ? 106 HIS F ND1 1 +ATOM 10750 C CD2 . HIS F 1 107 ? 46.121 26.937 139.589 1.00 24.13 ? ? ? ? ? ? 106 HIS F CD2 1 +ATOM 10751 C CE1 . HIS F 1 107 ? 47.269 25.598 140.888 1.00 27.29 ? ? ? ? ? ? 106 HIS F CE1 1 +ATOM 10752 N NE2 . HIS F 1 107 ? 47.105 26.860 140.538 1.00 25.36 ? ? ? ? ? ? 106 HIS F NE2 1 +ATOM 10753 N N . VAL F 1 108 ? 45.468 22.219 137.462 1.00 21.83 ? ? ? ? ? ? 107 VAL F N 1 +ATOM 10754 C CA . VAL F 1 108 ? 46.185 20.957 137.605 1.00 22.34 ? ? ? ? ? ? 107 VAL F CA 1 +ATOM 10755 C C . VAL F 1 108 ? 47.107 20.737 136.399 1.00 22.37 ? ? ? ? ? ? 107 VAL F C 1 +ATOM 10756 O O . VAL F 1 108 ? 48.206 20.169 136.524 1.00 22.44 ? ? ? ? ? ? 107 VAL F O 1 +ATOM 10757 C CB . VAL F 1 108 ? 45.195 19.777 137.727 1.00 26.30 ? ? ? ? ? ? 107 VAL F CB 1 +ATOM 10758 C CG1 . VAL F 1 108 ? 45.842 18.437 137.361 1.00 28.71 ? ? ? ? ? ? 107 VAL F CG1 1 +ATOM 10759 C CG2 . VAL F 1 108 ? 44.613 19.733 139.118 1.00 30.28 ? ? ? ? ? ? 107 VAL F CG2 1 +ATOM 10760 N N . GLN F 1 109 ? 46.652 21.171 135.230 1.00 21.46 ? ? ? ? ? ? 108 GLN F N 1 +ATOM 10761 C CA . GLN F 1 109 ? 47.400 20.981 133.978 1.00 21.77 ? ? ? ? ? ? 108 GLN F CA 1 +ATOM 10762 C C . GLN F 1 109 ? 48.600 21.913 133.816 1.00 23.08 ? ? ? ? ? ? 108 GLN F C 1 +ATOM 10763 O O . GLN F 1 109 ? 49.360 21.727 132.885 1.00 23.44 ? ? ? ? ? ? 108 GLN F O 1 +ATOM 10764 C CB . GLN F 1 109 ? 46.472 21.127 132.761 1.00 21.83 ? ? ? ? ? ? 108 GLN F CB 1 +ATOM 10765 C CG . GLN F 1 109 ? 45.389 20.061 132.723 1.00 18.55 ? ? ? ? ? ? 108 GLN F CG 1 +ATOM 10766 C CD . GLN F 1 109 ? 44.187 20.459 131.901 1.00 16.49 ? ? ? ? ? ? 108 GLN F CD 1 +ATOM 10767 O OE1 . GLN F 1 109 ? 44.229 21.393 131.107 1.00 20.68 ? ? ? ? ? ? 108 GLN F OE1 1 +ATOM 10768 N NE2 . GLN F 1 109 ? 43.110 19.743 132.089 1.00 16.69 ? ? ? ? ? ? 108 GLN F NE2 1 +ATOM 10769 N N . GLY F 1 110 ? 48.723 22.926 134.689 1.00 22.86 ? ? ? ? ? ? 109 GLY F N 1 +ATOM 10770 C CA . GLY F 1 110 ? 49.855 23.872 134.696 1.00 22.15 ? ? ? ? ? ? 109 GLY F CA 1 +ATOM 10771 C C . GLY F 1 110 ? 49.546 25.251 134.141 1.00 22.17 ? ? ? ? ? ? 109 GLY F C 1 +ATOM 10772 O O . GLY F 1 110 ? 50.410 26.139 134.142 1.00 21.67 ? ? ? ? ? ? 109 GLY F O 1 +ATOM 10773 N N . PHE F 1 111 ? 48.309 25.457 133.694 1.00 21.02 ? ? ? ? ? ? 110 PHE F N 1 +ATOM 10774 C CA . PHE F 1 111 ? 47.921 26.733 133.113 1.00 19.71 ? ? ? ? ? ? 110 PHE F CA 1 +ATOM 10775 C C . PHE F 1 111 ? 47.625 27.736 134.200 1.00 20.26 ? ? ? ? ? ? 110 PHE F C 1 +ATOM 10776 O O . PHE F 1 111 ? 47.168 27.370 135.285 1.00 21.34 ? ? ? ? ? ? 110 PHE F O 1 +ATOM 10777 C CB . PHE F 1 111 ? 46.705 26.565 132.173 1.00 21.95 ? ? ? ? ? ? 110 PHE F CB 1 +ATOM 10778 C CG . PHE F 1 111 ? 46.979 25.633 131.048 1.00 17.82 ? ? ? ? ? ? 110 PHE F CG 1 +ATOM 10779 C CD1 . PHE F 1 111 ? 47.951 25.951 130.103 1.00 21.47 ? ? ? ? ? ? 110 PHE F CD1 1 +ATOM 10780 C CD2 . PHE F 1 111 ? 46.329 24.408 130.954 1.00 20.32 ? ? ? ? ? ? 110 PHE F CD2 1 +ATOM 10781 C CE1 . PHE F 1 111 ? 48.240 25.091 129.075 1.00 19.70 ? ? ? ? ? ? 110 PHE F CE1 1 +ATOM 10782 C CE2 . PHE F 1 111 ? 46.648 23.521 129.921 1.00 20.72 ? ? ? ? ? ? 110 PHE F CE2 1 +ATOM 10783 C CZ . PHE F 1 111 ? 47.600 23.877 128.984 1.00 22.44 ? ? ? ? ? ? 110 PHE F CZ 1 +ATOM 10784 N N . ARG F 1 112 ? 47.872 29.003 133.894 1.00 19.84 ? ? ? ? ? ? 111 ARG F N 1 +ATOM 10785 C CA . ARG F 1 112 ? 47.745 30.081 134.861 1.00 21.33 ? ? ? ? ? ? 111 ARG F CA 1 +ATOM 10786 C C . ARG F 1 112 ? 47.122 31.335 134.335 1.00 20.47 ? ? ? ? ? ? 111 ARG F C 1 +ATOM 10787 O O . ARG F 1 112 ? 47.093 32.296 135.061 1.00 21.20 ? ? ? ? ? ? 111 ARG F O 1 +ATOM 10788 C CB . ARG F 1 112 ? 49.129 30.445 135.413 1.00 20.84 ? ? ? ? ? ? 111 ARG F CB 1 +ATOM 10789 C CG . ARG F 1 112 ? 49.837 29.292 136.093 1.00 21.05 ? ? ? ? ? ? 111 ARG F CG 1 +ATOM 10790 C CD . ARG F 1 112 ? 49.080 28.876 137.370 1.00 22.73 ? ? ? ? ? ? 111 ARG F CD 1 +ATOM 10791 N NE . ARG F 1 112 ? 49.755 27.836 138.141 1.00 21.89 ? ? ? ? ? ? 111 ARG F NE 1 +ATOM 10792 C CZ . ARG F 1 112 ? 49.548 26.535 138.008 1.00 20.48 ? ? ? ? ? ? 111 ARG F CZ 1 +ATOM 10793 N NH1 . ARG F 1 112 ? 48.693 26.067 137.113 1.00 22.55 ? ? ? ? ? ? 111 ARG F NH1 1 +ATOM 10794 N NH2 . ARG F 1 112 ? 50.206 25.683 138.766 1.00 19.79 ? ? ? ? ? ? 111 ARG F NH2 1 +ATOM 10795 N N . LYS F 1 113 ? 46.627 31.360 133.105 1.00 19.59 ? ? ? ? ? ? 112 LYS F N 1 +ATOM 10796 C CA . LYS F 1 113 ? 46.037 32.551 132.528 1.00 20.24 ? ? ? ? ? ? 112 LYS F CA 1 +ATOM 10797 C C . LYS F 1 113 ? 44.841 32.168 131.662 1.00 19.92 ? ? ? ? ? ? 112 LYS F C 1 +ATOM 10798 O O . LYS F 1 113 ? 44.962 31.310 130.748 1.00 19.65 ? ? ? ? ? ? 112 LYS F O 1 +ATOM 10799 C CB . LYS F 1 113 ? 47.066 33.258 131.652 1.00 21.77 ? ? ? ? ? ? 112 LYS F CB 1 +ATOM 10800 C CG . LYS F 1 113 ? 48.261 33.707 132.421 1.00 27.22 ? ? ? ? ? ? 112 LYS F CG 1 +ATOM 10801 C CD . LYS F 1 113 ? 49.291 34.326 131.535 1.00 35.64 ? ? ? ? ? ? 112 LYS F CD 1 +ATOM 10802 C CE . LYS F 1 113 ? 50.401 34.965 132.375 1.00 39.51 ? ? ? ? ? ? 112 LYS F CE 1 +ATOM 10803 N NZ . LYS F 1 113 ? 51.601 35.197 131.510 1.00 42.87 ? ? ? ? ? ? 112 LYS F NZ 1 +ATOM 10804 N N . LEU F 1 114 ? 43.699 32.800 131.937 1.00 18.84 ? ? ? ? ? ? 113 LEU F N 1 +ATOM 10805 C CA . LEU F 1 114 ? 42.459 32.485 131.246 1.00 18.64 ? ? ? ? ? ? 113 LEU F CA 1 +ATOM 10806 C C . LEU F 1 114 ? 41.719 33.754 130.928 1.00 17.92 ? ? ? ? ? ? 113 LEU F C 1 +ATOM 10807 O O . LEU F 1 114 ? 41.595 34.628 131.779 1.00 19.13 ? ? ? ? ? ? 113 LEU F O 1 +ATOM 10808 C CB . LEU F 1 114 ? 41.575 31.573 132.147 1.00 19.99 ? ? ? ? ? ? 113 LEU F CB 1 +ATOM 10809 C CG . LEU F 1 114 ? 40.149 31.219 131.724 1.00 15.90 ? ? ? ? ? ? 113 LEU F CG 1 +ATOM 10810 C CD1 . LEU F 1 114 ? 40.080 30.302 130.483 1.00 11.93 ? ? ? ? ? ? 113 LEU F CD1 1 +ATOM 10811 C CD2 . LEU F 1 114 ? 39.371 30.580 132.902 1.00 18.03 ? ? ? ? ? ? 113 LEU F CD2 1 +ATOM 10812 N N . LEU F 1 115 ? 41.217 33.867 129.700 1.00 18.23 ? ? ? ? ? ? 114 LEU F N 1 +ATOM 10813 C CA . LEU F 1 115 ? 40.270 34.913 129.348 1.00 17.17 ? ? ? ? ? ? 114 LEU F CA 1 +ATOM 10814 C C . LEU F 1 115 ? 38.935 34.279 129.059 1.00 17.42 ? ? ? ? ? ? 114 LEU F C 1 +ATOM 10815 O O . LEU F 1 115 ? 38.855 33.383 128.224 1.00 18.38 ? ? ? ? ? ? 114 LEU F O 1 +ATOM 10816 C CB . LEU F 1 115 ? 40.721 35.698 128.127 1.00 17.92 ? ? ? ? ? ? 114 LEU F CB 1 +ATOM 10817 C CG . LEU F 1 115 ? 39.707 36.751 127.655 1.00 18.73 ? ? ? ? ? ? 114 LEU F CG 1 +ATOM 10818 C CD1 . LEU F 1 115 ? 39.722 37.917 128.619 1.00 16.44 ? ? ? ? ? ? 114 LEU F CD1 1 +ATOM 10819 C CD2 . LEU F 1 115 ? 39.919 37.177 126.236 1.00 18.35 ? ? ? ? ? ? 114 LEU F CD2 1 +ATOM 10820 N N . ILE F 1 116 ? 37.897 34.766 129.734 1.00 17.13 ? ? ? ? ? ? 115 ILE F N 1 +ATOM 10821 C CA . ILE F 1 116 ? 36.514 34.432 129.409 1.00 17.69 ? ? ? ? ? ? 115 ILE F CA 1 +ATOM 10822 C C . ILE F 1 116 ? 36.006 35.444 128.383 1.00 18.40 ? ? ? ? ? ? 115 ILE F C 1 +ATOM 10823 O O . ILE F 1 116 ? 35.932 36.622 128.684 1.00 17.72 ? ? ? ? ? ? 115 ILE F O 1 +ATOM 10824 C CB . ILE F 1 116 ? 35.565 34.441 130.657 1.00 18.57 ? ? ? ? ? ? 115 ILE F CB 1 +ATOM 10825 C CG1 . ILE F 1 116 ? 36.105 33.506 131.763 1.00 19.55 ? ? ? ? ? ? 115 ILE F CG1 1 +ATOM 10826 C CG2 . ILE F 1 116 ? 34.172 34.023 130.233 1.00 12.55 ? ? ? ? ? ? 115 ILE F CG2 1 +ATOM 10827 C CD1 . ILE F 1 116 ? 35.542 33.754 133.167 1.00 17.83 ? ? ? ? ? ? 115 ILE F CD1 1 +ATOM 10828 N N . LEU F 1 117 ? 35.728 34.977 127.156 1.00 17.59 ? ? ? ? ? ? 116 LEU F N 1 +ATOM 10829 C CA . LEU F 1 117 ? 35.206 35.847 126.111 1.00 17.14 ? ? ? ? ? ? 116 LEU F CA 1 +ATOM 10830 C C . LEU F 1 117 ? 33.710 35.568 125.933 1.00 17.62 ? ? ? ? ? ? 116 LEU F C 1 +ATOM 10831 O O . LEU F 1 117 ? 33.309 34.563 125.331 1.00 17.45 ? ? ? ? ? ? 116 LEU F O 1 +ATOM 10832 C CB . LEU F 1 117 ? 35.971 35.648 124.786 1.00 16.58 ? ? ? ? ? ? 116 LEU F CB 1 +ATOM 10833 C CG . LEU F 1 117 ? 35.648 36.621 123.636 1.00 18.46 ? ? ? ? ? ? 116 LEU F CG 1 +ATOM 10834 C CD1 . LEU F 1 117 ? 35.900 38.082 124.025 1.00 14.28 ? ? ? ? ? ? 116 LEU F CD1 1 +ATOM 10835 C CD2 . LEU F 1 117 ? 36.432 36.263 122.384 1.00 16.13 ? ? ? ? ? ? 116 LEU F CD2 1 +ATOM 10836 N N . SER F 1 118 ? 32.889 36.455 126.481 1.00 18.14 ? ? ? ? ? ? 117 SER F N 1 +ATOM 10837 C CA . SER F 1 118 ? 31.464 36.241 126.485 1.00 18.54 ? ? ? ? ? ? 117 SER F CA 1 +ATOM 10838 C C . SER F 1 118 ? 30.810 36.774 125.209 1.00 20.34 ? ? ? ? ? ? 117 SER F C 1 +ATOM 10839 O O . SER F 1 118 ? 31.168 37.808 124.680 1.00 20.31 ? ? ? ? ? ? 117 SER F O 1 +ATOM 10840 C CB . SER F 1 118 ? 30.794 36.866 127.728 1.00 16.74 ? ? ? ? ? ? 117 SER F CB 1 +ATOM 10841 O OG . SER F 1 118 ? 29.404 36.509 127.797 1.00 19.25 ? ? ? ? ? ? 117 SER F OG 1 +ATOM 10842 N N . GLY F 1 119 ? 29.793 36.043 124.756 1.00 21.35 ? ? ? ? ? ? 118 GLY F N 1 +ATOM 10843 C CA . GLY F 1 119 ? 28.940 36.458 123.659 1.00 20.36 ? ? ? ? ? ? 118 GLY F CA 1 +ATOM 10844 C C . GLY F 1 119 ? 27.592 36.923 124.131 1.00 19.94 ? ? ? ? ? ? 118 GLY F C 1 +ATOM 10845 O O . GLY F 1 119 ? 26.796 37.357 123.320 1.00 21.28 ? ? ? ? ? ? 118 GLY F O 1 +ATOM 10846 N N . HIS F 1 120 ? 27.335 36.857 125.433 1.00 19.62 ? ? ? ? ? ? 119 HIS F N 1 +ATOM 10847 C CA . HIS F 1 120 ? 26.021 37.169 125.971 1.00 21.22 ? ? ? ? ? ? 119 HIS F CA 1 +ATOM 10848 C C . HIS F 1 120 ? 26.114 38.212 127.106 1.00 22.11 ? ? ? ? ? ? 119 HIS F C 1 +ATOM 10849 O O . HIS F 1 120 ? 26.760 37.996 128.106 1.00 23.46 ? ? ? ? ? ? 119 HIS F O 1 +ATOM 10850 C CB . HIS F 1 120 ? 25.355 35.865 126.406 1.00 18.81 ? ? ? ? ? ? 119 HIS F CB 1 +ATOM 10851 C CG . HIS F 1 120 ? 24.043 36.036 127.103 1.00 21.97 ? ? ? ? ? ? 119 HIS F CG 1 +ATOM 10852 N ND1 . HIS F 1 120 ? 22.975 36.694 126.537 1.00 22.71 ? ? ? ? ? ? 119 HIS F ND1 1 +ATOM 10853 C CD2 . HIS F 1 120 ? 23.624 35.620 128.326 1.00 21.29 ? ? ? ? ? ? 119 HIS F CD2 1 +ATOM 10854 C CE1 . HIS F 1 120 ? 21.958 36.682 127.382 1.00 25.13 ? ? ? ? ? ? 119 HIS F CE1 1 +ATOM 10855 N NE2 . HIS F 1 120 ? 22.331 36.050 128.481 1.00 21.11 ? ? ? ? ? ? 119 HIS F NE2 1 +ATOM 10856 N N . GLY F 1 121 ? 25.477 39.358 126.918 1.00 22.80 ? ? ? ? ? ? 120 GLY F N 1 +ATOM 10857 C CA . GLY F 1 121 ? 25.535 40.446 127.896 1.00 22.85 ? ? ? ? ? ? 120 GLY F CA 1 +ATOM 10858 C C . GLY F 1 121 ? 24.862 40.158 129.239 1.00 23.37 ? ? ? ? ? ? 120 GLY F C 1 +ATOM 10859 O O . GLY F 1 121 ? 25.153 40.816 130.222 1.00 24.76 ? ? ? ? ? ? 120 GLY F O 1 +ATOM 10860 N N . GLY F 1 122 ? 23.984 39.154 129.270 1.00 23.67 ? ? ? ? ? ? 121 GLY F N 1 +ATOM 10861 C CA . GLY F 1 122 ? 23.370 38.630 130.487 1.00 22.90 ? ? ? ? ? ? 121 GLY F CA 1 +ATOM 10862 C C . GLY F 1 122 ? 24.322 37.895 131.399 1.00 22.80 ? ? ? ? ? ? 121 GLY F C 1 +ATOM 10863 O O . GLY F 1 122 ? 24.032 37.771 132.576 1.00 22.80 ? ? ? ? ? ? 121 GLY F O 1 +ATOM 10864 N N . ASN F 1 123 ? 25.457 37.429 130.865 1.00 22.06 ? ? ? ? ? ? 122 ASN F N 1 +ATOM 10865 C CA . ASN F 1 123 ? 26.494 36.818 131.679 1.00 21.63 ? ? ? ? ? ? 122 ASN F CA 1 +ATOM 10866 C C . ASN F 1 123 ? 27.349 37.870 132.409 1.00 22.13 ? ? ? ? ? ? 122 ASN F C 1 +ATOM 10867 O O . ASN F 1 123 ? 27.752 38.879 131.839 1.00 21.50 ? ? ? ? ? ? 122 ASN F O 1 +ATOM 10868 C CB . ASN F 1 123 ? 27.409 35.915 130.835 1.00 19.91 ? ? ? ? ? ? 122 ASN F CB 1 +ATOM 10869 C CG . ASN F 1 123 ? 26.668 34.785 130.139 1.00 21.25 ? ? ? ? ? ? 122 ASN F CG 1 +ATOM 10870 O OD1 . ASN F 1 123 ? 25.611 34.311 130.615 1.00 15.97 ? ? ? ? ? ? 122 ASN F OD1 1 +ATOM 10871 N ND2 . ASN F 1 123 ? 27.232 34.316 129.011 1.00 13.84 ? ? ? ? ? ? 122 ASN F ND2 1 +ATOM 10872 N N . ASN F 1 124 ? 27.608 37.606 133.680 1.00 21.29 ? ? ? ? ? ? 123 ASN F N 1 +ATOM 10873 C CA . ASN F 1 124 ? 28.391 38.477 134.560 1.00 22.29 ? ? ? ? ? ? 123 ASN F CA 1 +ATOM 10874 C C . ASN F 1 124 ? 29.339 37.592 135.366 1.00 20.57 ? ? ? ? ? ? 123 ASN F C 1 +ATOM 10875 O O . ASN F 1 124 ? 28.895 36.685 136.035 1.00 21.05 ? ? ? ? ? ? 123 ASN F O 1 +ATOM 10876 C CB . ASN F 1 124 ? 27.448 39.257 135.486 1.00 23.84 ? ? ? ? ? ? 123 ASN F CB 1 +ATOM 10877 C CG . ASN F 1 124 ? 26.603 40.299 134.735 1.00 29.72 ? ? ? ? ? ? 123 ASN F CG 1 +ATOM 10878 O OD1 . ASN F 1 124 ? 27.149 41.249 134.169 1.00 39.00 ? ? ? ? ? ? 123 ASN F OD1 1 +ATOM 10879 N ND2 . ASN F 1 124 ? 25.270 40.128 134.736 1.00 29.62 ? ? ? ? ? ? 123 ASN F ND2 1 +ATOM 10880 N N . PHE F 1 125 ? 30.643 37.845 135.253 1.00 20.09 ? ? ? ? ? ? 124 PHE F N 1 +ATOM 10881 C CA . PHE F 1 125 ? 31.667 36.990 135.798 1.00 19.15 ? ? ? ? ? ? 124 PHE F CA 1 +ATOM 10882 C C . PHE F 1 125 ? 32.524 37.617 136.883 1.00 19.00 ? ? ? ? ? ? 124 PHE F C 1 +ATOM 10883 O O . PHE F 1 125 ? 33.438 36.962 137.371 1.00 19.47 ? ? ? ? ? ? 124 PHE F O 1 +ATOM 10884 C CB . PHE F 1 125 ? 32.604 36.507 134.663 1.00 20.84 ? ? ? ? ? ? 124 PHE F CB 1 +ATOM 10885 C CG . PHE F 1 125 ? 31.902 35.701 133.622 1.00 20.17 ? ? ? ? ? ? 124 PHE F CG 1 +ATOM 10886 C CD1 . PHE F 1 125 ? 31.547 34.383 133.881 1.00 20.68 ? ? ? ? ? ? 124 PHE F CD1 1 +ATOM 10887 C CD2 . PHE F 1 125 ? 31.545 36.264 132.401 1.00 16.70 ? ? ? ? ? ? 124 PHE F CD2 1 +ATOM 10888 C CE1 . PHE F 1 125 ? 30.837 33.626 132.932 1.00 15.13 ? ? ? ? ? ? 124 PHE F CE1 1 +ATOM 10889 C CE2 . PHE F 1 125 ? 30.831 35.508 131.454 1.00 17.08 ? ? ? ? ? ? 124 PHE F CE2 1 +ATOM 10890 C CZ . PHE F 1 125 ? 30.487 34.184 131.737 1.00 16.68 ? ? ? ? ? ? 124 PHE F CZ 1 +ATOM 10891 N N . LYS F 1 126 ? 32.268 38.875 137.252 1.00 19.29 ? ? ? ? ? ? 125 LYS F N 1 +ATOM 10892 C CA . LYS F 1 126 ? 33.139 39.570 138.189 1.00 18.91 ? ? ? ? ? ? 125 LYS F CA 1 +ATOM 10893 C C . LYS F 1 126 ? 33.151 38.929 139.565 1.00 18.56 ? ? ? ? ? ? 125 LYS F C 1 +ATOM 10894 O O . LYS F 1 126 ? 34.213 38.789 140.170 1.00 20.42 ? ? ? ? ? ? 125 LYS F O 1 +ATOM 10895 C CB . LYS F 1 126 ? 32.773 41.067 138.307 1.00 21.27 ? ? ? ? ? ? 125 LYS F CB 1 +ATOM 10896 C CG . LYS F 1 126 ? 33.038 41.887 137.054 1.00 20.78 ? ? ? ? ? ? 125 LYS F CG 1 +ATOM 10897 C CD . LYS F 1 126 ? 32.671 43.332 137.258 1.00 24.06 ? ? ? ? ? ? 125 LYS F CD 1 +ATOM 10898 C CE . LYS F 1 126 ? 33.039 44.194 136.062 1.00 28.20 ? ? ? ? ? ? 125 LYS F CE 1 +ATOM 10899 N NZ . LYS F 1 126 ? 32.925 45.614 136.497 1.00 35.34 ? ? ? ? ? ? 125 LYS F NZ 1 +ATOM 10900 N N . GLY F 1 127 ? 31.984 38.571 140.089 1.00 17.87 ? ? ? ? ? ? 126 GLY F N 1 +ATOM 10901 C CA . GLY F 1 127 ? 31.902 37.860 141.382 1.00 17.89 ? ? ? ? ? ? 126 GLY F CA 1 +ATOM 10902 C C . GLY F 1 127 ? 32.629 36.509 141.396 1.00 19.46 ? ? ? ? ? ? 126 GLY F C 1 +ATOM 10903 O O . GLY F 1 127 ? 33.352 36.201 142.341 1.00 18.45 ? ? ? ? ? ? 126 GLY F O 1 +ATOM 10904 N N . MSE F 1 128 ? 32.457 35.704 140.349 1.00 19.44 ? ? ? ? ? ? 127 MSE F N 1 +ATOM 10905 C CA . MSE F 1 128 ? 33.109 34.403 140.262 1.00 19.49 ? ? ? ? ? ? 127 MSE F CA 1 +ATOM 10906 C C . MSE F 1 128 ? 34.626 34.554 140.247 1.00 18.14 ? ? ? ? ? ? 127 MSE F C 1 +ATOM 10907 O O . MSE F 1 128 ? 35.340 33.768 140.854 1.00 16.93 ? ? ? ? ? ? 127 MSE F O 1 +ATOM 10908 C CB . MSE F 1 128 ? 32.723 33.695 138.979 1.00 19.72 ? ? ? ? ? ? 127 MSE F CB 1 +ATOM 10909 C CG . MSE F 1 128 ? 31.283 33.382 138.828 1.00 24.01 ? ? ? ? ? ? 127 MSE F CG 1 +ATOM 10910 SE SE . MSE F 1 128 ? 30.835 32.519 137.149 0.75 21.02 ? ? ? ? ? ? 127 MSE F SE 1 +ATOM 10911 C CE . MSE F 1 128 ? 29.149 33.368 137.054 1.00 13.72 ? ? ? ? ? ? 127 MSE F CE 1 +ATOM 10912 N N . ILE F 1 129 ? 35.087 35.555 139.513 1.00 18.44 ? ? ? ? ? ? 128 ILE F N 1 +ATOM 10913 C CA . ILE F 1 129 ? 36.505 35.850 139.370 1.00 18.28 ? ? ? ? ? ? 128 ILE F CA 1 +ATOM 10914 C C . ILE F 1 129 ? 37.086 36.299 140.706 1.00 18.28 ? ? ? ? ? ? 128 ILE F C 1 +ATOM 10915 O O . ILE F 1 129 ? 38.107 35.765 141.143 1.00 18.31 ? ? ? ? ? ? 128 ILE F O 1 +ATOM 10916 C CB . ILE F 1 129 ? 36.746 36.887 138.223 1.00 19.06 ? ? ? ? ? ? 128 ILE F CB 1 +ATOM 10917 C CG1 . ILE F 1 129 ? 36.479 36.228 136.852 1.00 21.75 ? ? ? ? ? ? 128 ILE F CG1 1 +ATOM 10918 C CG2 . ILE F 1 129 ? 38.165 37.425 138.218 1.00 16.47 ? ? ? ? ? ? 128 ILE F CG2 1 +ATOM 10919 C CD1 . ILE F 1 129 ? 36.551 37.203 135.652 1.00 15.23 ? ? ? ? ? ? 128 ILE F CD1 1 +ATOM 10920 N N . ARG F 1 130 ? 36.414 37.237 141.383 1.00 18.52 ? ? ? ? ? ? 129 ARG F N 1 +ATOM 10921 C CA . ARG F 1 130 ? 36.820 37.629 142.732 1.00 18.81 ? ? ? ? ? ? 129 ARG F CA 1 +ATOM 10922 C C . ARG F 1 130 ? 36.943 36.405 143.642 1.00 19.30 ? ? ? ? ? ? 129 ARG F C 1 +ATOM 10923 O O . ARG F 1 130 ? 37.965 36.210 144.293 1.00 20.12 ? ? ? ? ? ? 129 ARG F O 1 +ATOM 10924 C CB . ARG F 1 130 ? 35.822 38.622 143.351 1.00 18.15 ? ? ? ? ? ? 129 ARG F CB 1 +ATOM 10925 C CG . ARG F 1 130 ? 35.926 40.018 142.777 1.00 20.73 ? ? ? ? ? ? 129 ARG F CG 1 +ATOM 10926 C CD . ARG F 1 130 ? 35.151 41.061 143.618 1.00 22.22 ? ? ? ? ? ? 129 ARG F CD 1 +ATOM 10927 N NE . ARG F 1 130 ? 35.557 42.412 143.213 1.00 23.13 ? ? ? ? ? ? 129 ARG F NE 1 +ATOM 10928 C CZ . ARG F 1 130 ? 34.944 43.121 142.263 1.00 25.17 ? ? ? ? ? ? 129 ARG F CZ 1 +ATOM 10929 N NH1 . ARG F 1 130 ? 33.859 42.665 141.658 1.00 25.14 ? ? ? ? ? ? 129 ARG F NH1 1 +ATOM 10930 N NH2 . ARG F 1 130 ? 35.415 44.318 141.933 1.00 29.03 ? ? ? ? ? ? 129 ARG F NH2 1 +ATOM 10931 N N . ASP F 1 131 ? 35.910 35.566 143.678 1.00 18.82 ? ? ? ? ? ? 130 ASP F N 1 +ATOM 10932 C CA . ASP F 1 131 ? 35.962 34.382 144.562 1.00 19.20 ? ? ? ? ? ? 130 ASP F CA 1 +ATOM 10933 C C . ASP F 1 131 ? 37.069 33.371 144.183 1.00 19.44 ? ? ? ? ? ? 130 ASP F C 1 +ATOM 10934 O O . ASP F 1 131 ? 37.717 32.767 145.053 1.00 20.68 ? ? ? ? ? ? 130 ASP F O 1 +ATOM 10935 C CB . ASP F 1 131 ? 34.591 33.682 144.602 1.00 17.79 ? ? ? ? ? ? 130 ASP F CB 1 +ATOM 10936 C CG . ASP F 1 131 ? 33.529 34.509 145.326 1.00 24.76 ? ? ? ? ? ? 130 ASP F CG 1 +ATOM 10937 O OD1 . ASP F 1 131 ? 33.878 35.515 145.999 1.00 22.40 ? ? ? ? ? ? 130 ASP F OD1 1 +ATOM 10938 O OD2 . ASP F 1 131 ? 32.334 34.135 145.220 1.00 25.15 ? ? ? ? ? ? 130 ASP F OD2 1 +ATOM 10939 N N . LEU F 1 132 ? 37.279 33.173 142.894 1.00 19.48 ? ? ? ? ? ? 131 LEU F N 1 +ATOM 10940 C CA . LEU F 1 132 ? 38.331 32.261 142.423 1.00 19.87 ? ? ? ? ? ? 131 LEU F CA 1 +ATOM 10941 C C . LEU F 1 132 ? 39.723 32.845 142.639 1.00 20.24 ? ? ? ? ? ? 131 LEU F C 1 +ATOM 10942 O O . LEU F 1 132 ? 40.684 32.108 142.759 1.00 20.93 ? ? ? ? ? ? 131 LEU F O 1 +ATOM 10943 C CB . LEU F 1 132 ? 38.109 31.900 140.960 1.00 20.05 ? ? ? ? ? ? 131 LEU F CB 1 +ATOM 10944 C CG . LEU F 1 132 ? 37.087 30.786 140.714 1.00 22.12 ? ? ? ? ? ? 131 LEU F CG 1 +ATOM 10945 C CD1 . LEU F 1 132 ? 36.637 30.798 139.263 1.00 20.79 ? ? ? ? ? ? 131 LEU F CD1 1 +ATOM 10946 C CD2 . LEU F 1 132 ? 37.672 29.443 141.071 1.00 15.71 ? ? ? ? ? ? 131 LEU F CD2 1 +ATOM 10947 N N . ALA F 1 133 ? 39.824 34.173 142.719 1.00 21.44 ? ? ? ? ? ? 132 ALA F N 1 +ATOM 10948 C CA . ALA F 1 133 ? 41.109 34.873 142.972 1.00 21.98 ? ? ? ? ? ? 132 ALA F CA 1 +ATOM 10949 C C . ALA F 1 133 ? 41.717 34.507 144.320 1.00 22.13 ? ? ? ? ? ? 132 ALA F C 1 +ATOM 10950 O O . ALA F 1 133 ? 42.909 34.509 144.478 1.00 24.08 ? ? ? ? ? ? 132 ALA F O 1 +ATOM 10951 C CB . ALA F 1 133 ? 40.926 36.404 142.877 1.00 19.39 ? ? ? ? ? ? 132 ALA F CB 1 +ATOM 10952 N N . PHE F 1 134 ? 40.874 34.190 145.288 1.00 24.49 ? ? ? ? ? ? 133 PHE F N 1 +ATOM 10953 C CA . PHE F 1 134 ? 41.308 33.788 146.606 1.00 25.57 ? ? ? ? ? ? 133 PHE F CA 1 +ATOM 10954 C C . PHE F 1 134 ? 41.624 32.293 146.684 1.00 26.42 ? ? ? ? ? ? 133 PHE F C 1 +ATOM 10955 O O . PHE F 1 134 ? 42.517 31.891 147.414 1.00 27.41 ? ? ? ? ? ? 133 PHE F O 1 +ATOM 10956 C CB . PHE F 1 134 ? 40.223 34.157 147.630 1.00 26.97 ? ? ? ? ? ? 133 PHE F CB 1 +ATOM 10957 C CG . PHE F 1 134 ? 40.016 35.647 147.786 1.00 27.60 ? ? ? ? ? ? 133 PHE F CG 1 +ATOM 10958 C CD1 . PHE F 1 134 ? 41.058 36.461 148.179 1.00 28.85 ? ? ? ? ? ? 133 PHE F CD1 1 +ATOM 10959 C CD2 . PHE F 1 134 ? 38.785 36.227 147.549 1.00 25.18 ? ? ? ? ? ? 133 PHE F CD2 1 +ATOM 10960 C CE1 . PHE F 1 134 ? 40.883 37.827 148.311 1.00 27.71 ? ? ? ? ? ? 133 PHE F CE1 1 +ATOM 10961 C CE2 . PHE F 1 134 ? 38.607 37.586 147.678 1.00 25.01 ? ? ? ? ? ? 133 PHE F CE2 1 +ATOM 10962 C CZ . PHE F 1 134 ? 39.647 38.384 148.067 1.00 27.05 ? ? ? ? ? ? 133 PHE F CZ 1 +ATOM 10963 N N . GLU F 1 135 ? 40.878 31.476 145.940 1.00 27.36 ? ? ? ? ? ? 134 GLU F N 1 +ATOM 10964 C CA . GLU F 1 135 ? 41.108 30.028 145.910 1.00 30.35 ? ? ? ? ? ? 134 GLU F CA 1 +ATOM 10965 C C . GLU F 1 135 ? 42.344 29.681 145.096 1.00 25.86 ? ? ? ? ? ? 134 GLU F C 1 +ATOM 10966 O O . GLU F 1 135 ? 43.039 28.733 145.430 1.00 25.31 ? ? ? ? ? ? 134 GLU F O 1 +ATOM 10967 C CB . GLU F 1 135 ? 39.959 29.266 145.239 1.00 29.76 ? ? ? ? ? ? 134 GLU F CB 1 +ATOM 10968 C CG . GLU F 1 135 ? 38.627 29.171 145.938 1.00 42.59 ? ? ? ? ? ? 134 GLU F CG 1 +ATOM 10969 C CD . GLU F 1 135 ? 37.723 28.148 145.209 1.00 44.14 ? ? ? ? ? ? 134 GLU F CD 1 +ATOM 10970 O OE1 . GLU F 1 135 ? 37.994 26.917 145.313 1.00 64.42 ? ? ? ? ? ? 134 GLU F OE1 1 +ATOM 10971 O OE2 . GLU F 1 135 ? 36.774 28.571 144.503 1.00 59.88 ? ? ? ? ? ? 134 GLU F OE2 1 +ATOM 10972 N N . TYR F 1 136 ? 42.568 30.394 143.992 1.00 23.32 ? ? ? ? ? ? 135 TYR F N 1 +ATOM 10973 C CA . TYR F 1 136 ? 43.693 30.143 143.092 1.00 22.19 ? ? ? ? ? ? 135 TYR F CA 1 +ATOM 10974 C C . TYR F 1 136 ? 44.423 31.464 142.859 1.00 23.25 ? ? ? ? ? ? 135 TYR F C 1 +ATOM 10975 O O . TYR F 1 136 ? 44.271 32.080 141.764 1.00 20.99 ? ? ? ? ? ? 135 TYR F O 1 +ATOM 10976 C CB . TYR F 1 136 ? 43.191 29.604 141.727 1.00 22.71 ? ? ? ? ? ? 135 TYR F CB 1 +ATOM 10977 C CG . TYR F 1 136 ? 42.430 28.284 141.795 1.00 20.17 ? ? ? ? ? ? 135 TYR F CG 1 +ATOM 10978 C CD1 . TYR F 1 136 ? 43.093 27.060 141.726 1.00 24.86 ? ? ? ? ? ? 135 TYR F CD1 1 +ATOM 10979 C CD2 . TYR F 1 136 ? 41.059 28.269 141.929 1.00 24.01 ? ? ? ? ? ? 135 TYR F CD2 1 +ATOM 10980 C CE1 . TYR F 1 136 ? 42.389 25.860 141.814 1.00 25.03 ? ? ? ? ? ? 135 TYR F CE1 1 +ATOM 10981 C CE2 . TYR F 1 136 ? 40.349 27.087 142.020 1.00 22.38 ? ? ? ? ? ? 135 TYR F CE2 1 +ATOM 10982 C CZ . TYR F 1 136 ? 41.009 25.899 141.944 1.00 24.55 ? ? ? ? ? ? 135 TYR F CZ 1 +ATOM 10983 O OH . TYR F 1 136 ? 40.272 24.766 142.002 1.00 21.41 ? ? ? ? ? ? 135 TYR F OH 1 +ATOM 10984 N N . PRO F 1 137 ? 45.190 31.930 143.870 1.00 24.51 ? ? ? ? ? ? 136 PRO F N 1 +ATOM 10985 C CA . PRO F 1 137 ? 45.875 33.237 143.778 1.00 25.86 ? ? ? ? ? ? 136 PRO F CA 1 +ATOM 10986 C C . PRO F 1 137 ? 46.980 33.359 142.682 1.00 25.62 ? ? ? ? ? ? 136 PRO F C 1 +ATOM 10987 O O . PRO F 1 137 ? 47.342 34.460 142.307 1.00 27.25 ? ? ? ? ? ? 136 PRO F O 1 +ATOM 10988 C CB . PRO F 1 137 ? 46.430 33.455 145.185 1.00 24.37 ? ? ? ? ? ? 136 PRO F CB 1 +ATOM 10989 C CG . PRO F 1 137 ? 46.430 32.155 145.828 1.00 25.86 ? ? ? ? ? ? 136 PRO F CG 1 +ATOM 10990 C CD . PRO F 1 137 ? 45.432 31.270 145.160 1.00 26.17 ? ? ? ? ? ? 136 PRO F CD 1 +ATOM 10991 N N . ASP F 1 138 ? 47.429 32.244 142.129 1.00 25.68 ? ? ? ? ? ? 137 ASP F N 1 +ATOM 10992 C CA . ASP F 1 138 ? 48.402 32.220 141.040 1.00 26.05 ? ? ? ? ? ? 137 ASP F CA 1 +ATOM 10993 C C . ASP F 1 138 ? 47.775 32.106 139.623 1.00 24.65 ? ? ? ? ? ? 137 ASP F C 1 +ATOM 10994 O O . ASP F 1 138 ? 48.505 32.007 138.627 1.00 23.42 ? ? ? ? ? ? 137 ASP F O 1 +ATOM 10995 C CB . ASP F 1 138 ? 49.436 31.081 141.272 1.00 27.04 ? ? ? ? ? ? 137 ASP F CB 1 +ATOM 10996 C CG . ASP F 1 138 ? 48.793 29.675 141.448 1.00 33.89 ? ? ? ? ? ? 137 ASP F CG 1 +ATOM 10997 O OD1 . ASP F 1 138 ? 47.538 29.518 141.568 1.00 32.86 ? ? ? ? ? ? 137 ASP F OD1 1 +ATOM 10998 O OD2 . ASP F 1 138 ? 49.587 28.708 141.508 1.00 44.14 ? ? ? ? ? ? 137 ASP F OD2 1 +ATOM 10999 N N . PHE F 1 139 ? 46.437 32.157 139.536 1.00 23.49 ? ? ? ? ? ? 138 PHE F N 1 +ATOM 11000 C CA . PHE F 1 139 ? 45.707 31.910 138.285 1.00 21.41 ? ? ? ? ? ? 138 PHE F CA 1 +ATOM 11001 C C . PHE F 1 139 ? 45.000 33.197 137.864 1.00 21.05 ? ? ? ? ? ? 138 PHE F C 1 +ATOM 11002 O O . PHE F 1 139 ? 44.128 33.672 138.543 1.00 22.05 ? ? ? ? ? ? 138 PHE F O 1 +ATOM 11003 C CB . PHE F 1 139 ? 44.723 30.755 138.489 1.00 22.64 ? ? ? ? ? ? 138 PHE F CB 1 +ATOM 11004 C CG . PHE F 1 139 ? 44.222 30.124 137.209 1.00 22.60 ? ? ? ? ? ? 138 PHE F CG 1 +ATOM 11005 C CD1 . PHE F 1 139 ? 43.310 30.765 136.411 1.00 30.27 ? ? ? ? ? ? 138 PHE F CD1 1 +ATOM 11006 C CD2 . PHE F 1 139 ? 44.638 28.860 136.836 1.00 25.21 ? ? ? ? ? ? 138 PHE F CD2 1 +ATOM 11007 C CE1 . PHE F 1 139 ? 42.864 30.174 135.241 1.00 32.14 ? ? ? ? ? ? 138 PHE F CE1 1 +ATOM 11008 C CE2 . PHE F 1 139 ? 44.181 28.269 135.675 1.00 24.08 ? ? ? ? ? ? 138 PHE F CE2 1 +ATOM 11009 C CZ . PHE F 1 139 ? 43.308 28.919 134.879 1.00 23.59 ? ? ? ? ? ? 138 PHE F CZ 1 +ATOM 11010 N N . LEU F 1 140 ? 45.415 33.775 136.749 1.00 21.22 ? ? ? ? ? ? 139 LEU F N 1 +ATOM 11011 C CA . LEU F 1 140 ? 44.857 35.020 136.262 1.00 21.82 ? ? ? ? ? ? 139 LEU F CA 1 +ATOM 11012 C C . LEU F 1 140 ? 43.625 34.742 135.395 1.00 21.26 ? ? ? ? ? ? 139 LEU F C 1 +ATOM 11013 O O . LEU F 1 140 ? 43.735 34.045 134.403 1.00 22.16 ? ? ? ? ? ? 139 LEU F O 1 +ATOM 11014 C CB . LEU F 1 140 ? 45.912 35.727 135.429 1.00 22.37 ? ? ? ? ? ? 139 LEU F CB 1 +ATOM 11015 C CG . LEU F 1 140 ? 45.561 37.096 134.853 1.00 25.28 ? ? ? ? ? ? 139 LEU F CG 1 +ATOM 11016 C CD1 . LEU F 1 140 ? 45.237 38.075 135.973 1.00 23.36 ? ? ? ? ? ? 139 LEU F CD1 1 +ATOM 11017 C CD2 . LEU F 1 140 ? 46.712 37.616 133.969 1.00 23.05 ? ? ? ? ? ? 139 LEU F CD2 1 +ATOM 11018 N N . ILE F 1 141 ? 42.474 35.303 135.763 1.00 20.22 ? ? ? ? ? ? 140 ILE F N 1 +ATOM 11019 C CA . ILE F 1 141 ? 41.253 35.206 134.972 1.00 19.19 ? ? ? ? ? ? 140 ILE F CA 1 +ATOM 11020 C C . ILE F 1 141 ? 40.758 36.606 134.611 1.00 19.28 ? ? ? ? ? ? 140 ILE F C 1 +ATOM 11021 O O . ILE F 1 141 ? 40.421 37.398 135.504 1.00 19.37 ? ? ? ? ? ? 140 ILE F O 1 +ATOM 11022 C CB . ILE F 1 141 ? 40.125 34.462 135.741 1.00 19.96 ? ? ? ? ? ? 140 ILE F CB 1 +ATOM 11023 C CG1 . ILE F 1 141 ? 40.631 33.155 136.345 1.00 20.79 ? ? ? ? ? ? 140 ILE F CG1 1 +ATOM 11024 C CG2 . ILE F 1 141 ? 38.912 34.196 134.825 1.00 17.73 ? ? ? ? ? ? 140 ILE F CG2 1 +ATOM 11025 C CD1 . ILE F 1 141 ? 39.549 32.391 137.072 1.00 20.17 ? ? ? ? ? ? 140 ILE F CD1 1 +ATOM 11026 N N . ALA F 1 142 ? 40.712 36.910 133.301 1.00 19.41 ? ? ? ? ? ? 141 ALA F N 1 +ATOM 11027 C CA . ALA F 1 142 ? 40.102 38.139 132.776 1.00 18.42 ? ? ? ? ? ? 141 ALA F CA 1 +ATOM 11028 C C . ALA F 1 142 ? 38.738 37.816 132.148 1.00 18.38 ? ? ? ? ? ? 141 ALA F C 1 +ATOM 11029 O O . ALA F 1 142 ? 38.470 36.660 131.826 1.00 18.49 ? ? ? ? ? ? 141 ALA F O 1 +ATOM 11030 C CB . ALA F 1 142 ? 41.025 38.811 131.757 1.00 16.16 ? ? ? ? ? ? 141 ALA F CB 1 +ATOM 11031 N N . ALA F 1 143 ? 37.881 38.832 131.997 1.00 17.85 ? ? ? ? ? ? 142 ALA F N 1 +ATOM 11032 C CA . ALA F 1 143 ? 36.603 38.671 131.307 1.00 18.35 ? ? ? ? ? ? 142 ALA F CA 1 +ATOM 11033 C C . ALA F 1 143 ? 36.332 39.844 130.386 1.00 19.28 ? ? ? ? ? ? 142 ALA F C 1 +ATOM 11034 O O . ALA F 1 143 ? 36.614 41.004 130.738 1.00 19.46 ? ? ? ? ? ? 142 ALA F O 1 +ATOM 11035 C CB . ALA F 1 143 ? 35.416 38.498 132.302 1.00 16.32 ? ? ? ? ? ? 142 ALA F CB 1 +ATOM 11036 N N . ALA F 1 144 ? 35.754 39.545 129.222 1.00 19.78 ? ? ? ? ? ? 143 ALA F N 1 +ATOM 11037 C CA . ALA F 1 144 ? 35.306 40.587 128.272 1.00 20.60 ? ? ? ? ? ? 143 ALA F CA 1 +ATOM 11038 C C . ALA F 1 144 ? 34.110 40.091 127.512 1.00 20.52 ? ? ? ? ? ? 143 ALA F C 1 +ATOM 11039 O O . ALA F 1 144 ? 34.032 38.903 127.235 1.00 19.62 ? ? ? ? ? ? 143 ALA F O 1 +ATOM 11040 C CB . ALA F 1 144 ? 36.401 40.899 127.271 1.00 20.83 ? ? ? ? ? ? 143 ALA F CB 1 +ATOM 11041 N N . ASN F 1 145 ? 33.198 40.999 127.157 1.00 20.61 ? ? ? ? ? ? 144 ASN F N 1 +ATOM 11042 C CA . ASN F 1 145 ? 32.223 40.747 126.098 1.00 21.45 ? ? ? ? ? ? 144 ASN F CA 1 +ATOM 11043 C C . ASN F 1 145 ? 32.914 41.078 124.756 1.00 21.40 ? ? ? ? ? ? 144 ASN F C 1 +ATOM 11044 O O . ASN F 1 145 ? 33.501 42.144 124.651 1.00 21.34 ? ? ? ? ? ? 144 ASN F O 1 +ATOM 11045 C CB . ASN F 1 145 ? 30.984 41.644 126.297 1.00 23.12 ? ? ? ? ? ? 144 ASN F CB 1 +ATOM 11046 C CG . ASN F 1 145 ? 30.093 41.206 127.483 1.00 27.94 ? ? ? ? ? ? 144 ASN F CG 1 +ATOM 11047 O OD1 . ASN F 1 145 ? 29.626 40.074 127.551 1.00 25.07 ? ? ? ? ? ? 144 ASN F OD1 1 +ATOM 11048 N ND2 . ASN F 1 145 ? 29.820 42.137 128.387 1.00 21.45 ? ? ? ? ? ? 144 ASN F ND2 1 +ATOM 11049 N N . TRP F 1 146 ? 32.851 40.203 123.732 1.00 19.94 ? ? ? ? ? ? 145 TRP F N 1 +ATOM 11050 C CA . TRP F 1 146 ? 33.498 40.504 122.442 1.00 20.29 ? ? ? ? ? ? 145 TRP F CA 1 +ATOM 11051 C C . TRP F 1 146 ? 32.959 41.822 121.874 1.00 20.29 ? ? ? ? ? ? 145 TRP F C 1 +ATOM 11052 O O . TRP F 1 146 ? 33.681 42.595 121.290 1.00 20.43 ? ? ? ? ? ? 145 TRP F O 1 +ATOM 11053 C CB . TRP F 1 146 ? 33.374 39.325 121.407 1.00 20.40 ? ? ? ? ? ? 145 TRP F CB 1 +ATOM 11054 C CG . TRP F 1 146 ? 32.003 39.142 120.857 1.00 18.49 ? ? ? ? ? ? 145 TRP F CG 1 +ATOM 11055 C CD1 . TRP F 1 146 ? 31.030 38.356 121.375 1.00 20.36 ? ? ? ? ? ? 145 TRP F CD1 1 +ATOM 11056 C CD2 . TRP F 1 146 ? 31.412 39.831 119.735 1.00 20.09 ? ? ? ? ? ? 145 TRP F CD2 1 +ATOM 11057 N NE1 . TRP F 1 146 ? 29.892 38.465 120.634 1.00 22.24 ? ? ? ? ? ? 145 TRP F NE1 1 +ATOM 11058 C CE2 . TRP F 1 146 ? 30.095 39.371 119.620 1.00 18.72 ? ? ? ? ? ? 145 TRP F CE2 1 +ATOM 11059 C CE3 . TRP F 1 146 ? 31.883 40.771 118.814 1.00 19.72 ? ? ? ? ? ? 145 TRP F CE3 1 +ATOM 11060 C CZ2 . TRP F 1 146 ? 29.218 39.837 118.621 1.00 19.47 ? ? ? ? ? ? 145 TRP F CZ2 1 +ATOM 11061 C CZ3 . TRP F 1 146 ? 31.042 41.198 117.811 1.00 18.50 ? ? ? ? ? ? 145 TRP F CZ3 1 +ATOM 11062 C CH2 . TRP F 1 146 ? 29.717 40.740 117.724 1.00 20.97 ? ? ? ? ? ? 145 TRP F CH2 1 +ATOM 11063 N N . PHE F 1 147 ? 31.678 42.100 122.100 1.00 21.40 ? ? ? ? ? ? 146 PHE F N 1 +ATOM 11064 C CA . PHE F 1 147 ? 31.034 43.218 121.444 1.00 21.15 ? ? ? ? ? ? 146 PHE F CA 1 +ATOM 11065 C C . PHE F 1 147 ? 31.248 44.541 122.183 1.00 21.83 ? ? ? ? ? ? 146 PHE F C 1 +ATOM 11066 O O . PHE F 1 147 ? 30.692 45.550 121.801 1.00 23.25 ? ? ? ? ? ? 146 PHE F O 1 +ATOM 11067 C CB . PHE F 1 147 ? 29.564 42.934 121.246 1.00 21.91 ? ? ? ? ? ? 146 PHE F CB 1 +ATOM 11068 C CG . PHE F 1 147 ? 28.862 42.543 122.501 1.00 26.25 ? ? ? ? ? ? 146 PHE F CG 1 +ATOM 11069 C CD1 . PHE F 1 147 ? 28.422 43.515 123.398 1.00 26.82 ? ? ? ? ? ? 146 PHE F CD1 1 +ATOM 11070 C CD2 . PHE F 1 147 ? 28.659 41.202 122.806 1.00 23.55 ? ? ? ? ? ? 146 PHE F CD2 1 +ATOM 11071 C CE1 . PHE F 1 147 ? 27.796 43.149 124.577 1.00 27.55 ? ? ? ? ? ? 146 PHE F CE1 1 +ATOM 11072 C CE2 . PHE F 1 147 ? 28.035 40.848 123.969 1.00 26.15 ? ? ? ? ? ? 146 PHE F CE2 1 +ATOM 11073 C CZ . PHE F 1 147 ? 27.593 41.825 124.855 1.00 25.48 ? ? ? ? ? ? 146 PHE F CZ 1 +ATOM 11074 N N . GLU F 1 148 ? 32.073 44.525 123.227 1.00 21.77 ? ? ? ? ? ? 147 GLU F N 1 +ATOM 11075 C CA . GLU F 1 148 ? 32.517 45.720 123.923 1.00 21.43 ? ? ? ? ? ? 147 GLU F CA 1 +ATOM 11076 C C . GLU F 1 148 ? 33.989 46.036 123.704 1.00 22.29 ? ? ? ? ? ? 147 GLU F C 1 +ATOM 11077 O O . GLU F 1 148 ? 34.471 47.091 124.137 1.00 24.28 ? ? ? ? ? ? 147 GLU F O 1 +ATOM 11078 C CB . GLU F 1 148 ? 32.259 45.566 125.422 1.00 20.94 ? ? ? ? ? ? 147 GLU F CB 1 +ATOM 11079 C CG . GLU F 1 148 ? 30.829 45.819 125.756 1.00 22.80 ? ? ? ? ? ? 147 GLU F CG 1 +ATOM 11080 C CD . GLU F 1 148 ? 30.464 45.446 127.179 1.00 26.82 ? ? ? ? ? ? 147 GLU F CD 1 +ATOM 11081 O OE1 . GLU F 1 148 ? 31.343 44.942 127.937 1.00 26.79 ? ? ? ? ? ? 147 GLU F OE1 1 +ATOM 11082 O OE2 . GLU F 1 148 ? 29.262 45.622 127.502 1.00 32.33 ? ? ? ? ? ? 147 GLU F OE2 1 +ATOM 11083 N N . VAL F 1 149 ? 34.707 45.168 123.008 1.00 23.12 ? ? ? ? ? ? 148 VAL F N 1 +ATOM 11084 C CA . VAL F 1 149 ? 36.131 45.398 122.765 1.00 22.45 ? ? ? ? ? ? 148 VAL F CA 1 +ATOM 11085 C C . VAL F 1 149 ? 36.290 46.649 121.879 1.00 24.04 ? ? ? ? ? ? 148 VAL F C 1 +ATOM 11086 O O . VAL F 1 149 ? 37.184 47.479 122.110 1.00 23.05 ? ? ? ? ? ? 148 VAL F O 1 +ATOM 11087 C CB . VAL F 1 149 ? 36.804 44.118 122.204 1.00 23.50 ? ? ? ? ? ? 148 VAL F CB 1 +ATOM 11088 C CG1 . VAL F 1 149 ? 38.235 44.379 121.678 1.00 19.94 ? ? ? ? ? ? 148 VAL F CG1 1 +ATOM 11089 C CG2 . VAL F 1 149 ? 36.777 42.995 123.306 1.00 18.93 ? ? ? ? ? ? 148 VAL F CG2 1 +ATOM 11090 N N . VAL F 1 150 ? 35.390 46.786 120.897 1.00 23.90 ? ? ? ? ? ? 149 VAL F N 1 +ATOM 11091 C CA . VAL F 1 150 ? 35.249 47.979 120.049 1.00 22.88 ? ? ? ? ? ? 149 VAL F CA 1 +ATOM 11092 C C . VAL F 1 150 ? 33.768 48.313 120.042 1.00 24.20 ? ? ? ? ? ? 149 VAL F C 1 +ATOM 11093 O O . VAL F 1 150 ? 32.948 47.418 119.884 1.00 23.53 ? ? ? ? ? ? 149 VAL F O 1 +ATOM 11094 C CB . VAL F 1 150 ? 35.697 47.679 118.615 1.00 22.73 ? ? ? ? ? ? 149 VAL F CB 1 +ATOM 11095 C CG1 . VAL F 1 150 ? 35.491 48.906 117.731 1.00 23.18 ? ? ? ? ? ? 149 VAL F CG1 1 +ATOM 11096 C CG2 . VAL F 1 150 ? 37.166 47.259 118.601 1.00 20.10 ? ? ? ? ? ? 149 VAL F CG2 1 +ATOM 11097 N N . SER F 1 151 ? 33.421 49.591 120.203 1.00 26.97 ? ? ? ? ? ? 150 SER F N 1 +ATOM 11098 C CA . SER F 1 151 ? 32.006 50.032 120.144 1.00 29.30 ? ? ? ? ? ? 150 SER F CA 1 +ATOM 11099 C C . SER F 1 151 ? 31.442 49.858 118.733 1.00 29.62 ? ? ? ? ? ? 150 SER F C 1 +ATOM 11100 O O . SER F 1 151 ? 32.112 50.186 117.757 1.00 30.34 ? ? ? ? ? ? 150 SER F O 1 +ATOM 11101 C CB . SER F 1 151 ? 31.876 51.519 120.548 1.00 30.71 ? ? ? ? ? ? 150 SER F CB 1 +ATOM 11102 O OG . SER F 1 151 ? 30.513 51.933 120.626 1.00 35.10 ? ? ? ? ? ? 150 SER F OG 1 +ATOM 11103 N N . PRO F 1 152 ? 30.203 49.373 118.619 1.00 31.46 ? ? ? ? ? ? 151 PRO F N 1 +ATOM 11104 C CA . PRO F 1 152 ? 29.567 49.187 117.318 1.00 32.83 ? ? ? ? ? ? 151 PRO F CA 1 +ATOM 11105 C C . PRO F 1 152 ? 29.166 50.496 116.680 1.00 34.87 ? ? ? ? ? ? 151 PRO F C 1 +ATOM 11106 O O . PRO F 1 152 ? 29.006 50.586 115.444 1.00 34.43 ? ? ? ? ? ? 151 PRO F O 1 +ATOM 11107 C CB . PRO F 1 152 ? 28.314 48.350 117.640 1.00 34.71 ? ? ? ? ? ? 151 PRO F CB 1 +ATOM 11108 C CG . PRO F 1 152 ? 28.001 48.628 119.092 1.00 33.84 ? ? ? ? ? ? 151 PRO F CG 1 +ATOM 11109 C CD . PRO F 1 152 ? 29.329 48.973 119.742 1.00 34.59 ? ? ? ? ? ? 151 PRO F CD 1 +ATOM 11110 N N . LYS F 1 153 ? 29.004 51.511 117.522 1.00 41.48 ? ? ? ? ? ? 152 LYS F N 1 +ATOM 11111 C CA . LYS F 1 153 ? 28.696 52.843 117.033 1.00 43.90 ? ? ? ? ? ? 152 LYS F CA 1 +ATOM 11112 C C . LYS F 1 153 ? 29.756 53.292 115.998 1.00 40.74 ? ? ? ? ? ? 152 LYS F C 1 +ATOM 11113 O O . LYS F 1 153 ? 30.969 53.156 116.193 1.00 41.87 ? ? ? ? ? ? 152 LYS F O 1 +ATOM 11114 C CB . LYS F 1 153 ? 28.525 53.795 118.224 1.00 46.04 ? ? ? ? ? ? 152 LYS F CB 1 +ATOM 11115 C CG . LYS F 1 153 ? 27.303 53.397 119.124 1.00 45.09 ? ? ? ? ? ? 152 LYS F CG 1 +ATOM 11116 C CD . LYS F 1 153 ? 27.450 53.915 120.557 1.00 48.41 ? ? ? ? ? ? 152 LYS F CD 1 +ATOM 11117 C CE . LYS F 1 153 ? 27.205 55.444 120.669 1.00 58.56 ? ? ? ? ? ? 152 LYS F CE 1 +ATOM 11118 N NZ . LYS F 1 153 ? 27.307 55.951 122.090 1.00 54.17 ? ? ? ? ? ? 152 LYS F NZ 1 +ATOM 11119 N N . GLY F 1 154 ? 29.265 53.757 114.857 1.00 39.91 ? ? ? ? ? ? 153 GLY F N 1 +ATOM 11120 C CA . GLY F 1 154 ? 30.107 53.967 113.673 1.00 37.56 ? ? ? ? ? ? 153 GLY F CA 1 +ATOM 11121 C C . GLY F 1 154 ? 30.075 52.842 112.649 1.00 34.81 ? ? ? ? ? ? 153 GLY F C 1 +ATOM 11122 O O . GLY F 1 154 ? 30.104 53.099 111.440 1.00 36.73 ? ? ? ? ? ? 153 GLY F O 1 +ATOM 11123 N N . TYR F 1 155 ? 30.017 51.591 113.112 1.00 29.14 ? ? ? ? ? ? 154 TYR F N 1 +ATOM 11124 C CA . TYR F 1 155 ? 30.106 50.432 112.207 1.00 26.32 ? ? ? ? ? ? 154 TYR F CA 1 +ATOM 11125 C C . TYR F 1 155 ? 28.746 49.994 111.630 1.00 25.23 ? ? ? ? ? ? 154 TYR F C 1 +ATOM 11126 O O . TYR F 1 155 ? 28.682 49.257 110.637 1.00 26.44 ? ? ? ? ? ? 154 TYR F O 1 +ATOM 11127 C CB . TYR F 1 155 ? 30.826 49.283 112.920 1.00 23.39 ? ? ? ? ? ? 154 TYR F CB 1 +ATOM 11128 C CG . TYR F 1 155 ? 32.335 49.534 113.097 1.00 23.81 ? ? ? ? ? ? 154 TYR F CG 1 +ATOM 11129 C CD1 . TYR F 1 155 ? 33.221 49.196 112.078 1.00 23.14 ? ? ? ? ? ? 154 TYR F CD1 1 +ATOM 11130 C CD2 . TYR F 1 155 ? 32.866 50.095 114.263 1.00 22.43 ? ? ? ? ? ? 154 TYR F CD2 1 +ATOM 11131 C CE1 . TYR F 1 155 ? 34.593 49.409 112.199 1.00 23.74 ? ? ? ? ? ? 154 TYR F CE1 1 +ATOM 11132 C CE2 . TYR F 1 155 ? 34.261 50.335 114.389 1.00 21.32 ? ? ? ? ? ? 154 TYR F CE2 1 +ATOM 11133 C CZ . TYR F 1 155 ? 35.106 49.988 113.347 1.00 23.85 ? ? ? ? ? ? 154 TYR F CZ 1 +ATOM 11134 O OH . TYR F 1 155 ? 36.474 50.173 113.368 1.00 25.80 ? ? ? ? ? ? 154 TYR F OH 1 +ATOM 11135 N N . PHE F 1 156 ? 27.672 50.448 112.256 1.00 25.05 ? ? ? ? ? ? 155 PHE F N 1 +ATOM 11136 C CA . PHE F 1 156 ? 26.320 50.048 111.909 1.00 26.41 ? ? ? ? ? ? 155 PHE F CA 1 +ATOM 11137 C C . PHE F 1 156 ? 25.388 51.250 111.936 1.00 29.25 ? ? ? ? ? ? 155 PHE F C 1 +ATOM 11138 O O . PHE F 1 156 ? 25.680 52.248 112.575 1.00 31.15 ? ? ? ? ? ? 155 PHE F O 1 +ATOM 11139 C CB . PHE F 1 156 ? 25.852 48.938 112.883 1.00 25.21 ? ? ? ? ? ? 155 PHE F CB 1 +ATOM 11140 C CG . PHE F 1 156 ? 26.814 47.774 112.945 1.00 23.17 ? ? ? ? ? ? 155 PHE F CG 1 +ATOM 11141 C CD1 . PHE F 1 156 ? 26.844 46.821 111.925 1.00 19.81 ? ? ? ? ? ? 155 PHE F CD1 1 +ATOM 11142 C CD2 . PHE F 1 156 ? 27.738 47.678 113.963 1.00 22.97 ? ? ? ? ? ? 155 PHE F CD2 1 +ATOM 11143 C CE1 . PHE F 1 156 ? 27.771 45.779 111.949 1.00 21.43 ? ? ? ? ? ? 155 PHE F CE1 1 +ATOM 11144 C CE2 . PHE F 1 156 ? 28.634 46.643 114.003 1.00 23.87 ? ? ? ? ? ? 155 PHE F CE2 1 +ATOM 11145 C CZ . PHE F 1 156 ? 28.662 45.690 112.986 1.00 19.79 ? ? ? ? ? ? 155 PHE F CZ 1 +ATOM 11146 N N . GLU F 1 157 ? 24.262 51.142 111.235 1.00 31.68 ? ? ? ? ? ? 156 GLU F N 1 +ATOM 11147 C CA . GLU F 1 157 ? 23.324 52.246 111.081 1.00 33.87 ? ? ? ? ? ? 156 GLU F CA 1 +ATOM 11148 C C . GLU F 1 157 ? 22.238 52.267 112.151 1.00 34.09 ? ? ? ? ? ? 156 GLU F C 1 +ATOM 11149 O O . GLU F 1 157 ? 21.954 53.315 112.720 1.00 34.76 ? ? ? ? ? ? 156 GLU F O 1 +ATOM 11150 C CB . GLU F 1 157 ? 22.654 52.188 109.697 1.00 33.27 ? ? ? ? ? ? 156 GLU F CB 1 +ATOM 11151 C CG . GLU F 1 157 ? 23.621 52.291 108.510 1.00 37.42 ? ? ? ? ? ? 156 GLU F CG 1 +ATOM 11152 C CD . GLU F 1 157 ? 22.923 52.134 107.139 1.00 37.87 ? ? ? ? ? ? 156 GLU F CD 1 +ATOM 11153 O OE1 . GLU F 1 157 ? 22.257 53.099 106.671 1.00 39.49 ? ? ? ? ? ? 156 GLU F OE1 1 +ATOM 11154 O OE2 . GLU F 1 157 ? 23.067 51.053 106.522 1.00 31.93 ? ? ? ? ? ? 156 GLU F OE2 1 +ATOM 11155 N N . ALA F 1 158 ? 21.598 51.124 112.394 1.00 35.04 ? ? ? ? ? ? 157 ALA F N 1 +ATOM 11156 C CA . ALA F 1 158 ? 20.511 51.056 113.364 1.00 34.79 ? ? ? ? ? ? 157 ALA F CA 1 +ATOM 11157 C C . ALA F 1 158 ? 20.967 51.619 114.707 1.00 35.60 ? ? ? ? ? ? 157 ALA F C 1 +ATOM 11158 O O . ALA F 1 158 ? 22.077 51.323 115.183 1.00 35.38 ? ? ? ? ? ? 157 ALA F O 1 +ATOM 11159 C CB . ALA F 1 158 ? 20.015 49.626 113.519 1.00 34.60 ? ? ? ? ? ? 157 ALA F CB 1 +ATOM 11160 N N . GLU F 1 159 ? 20.120 52.452 115.302 1.00 37.64 ? ? ? ? ? ? 158 GLU F N 1 +ATOM 11161 C CA . GLU F 1 159 ? 20.483 53.106 116.564 1.00 40.87 ? ? ? ? ? ? 158 GLU F CA 1 +ATOM 11162 C C . GLU F 1 159 ? 20.187 52.181 117.737 1.00 37.92 ? ? ? ? ? ? 158 GLU F C 1 +ATOM 11163 O O . GLU F 1 159 ? 21.017 52.057 118.633 1.00 38.34 ? ? ? ? ? ? 158 GLU F O 1 +ATOM 11164 C CB . GLU F 1 159 ? 19.799 54.468 116.705 1.00 42.43 ? ? ? ? ? ? 158 GLU F CB 1 +ATOM 11165 C CG . GLU F 1 159 ? 20.812 55.643 116.882 1.00 47.86 ? ? ? ? ? ? 158 GLU F CG 1 +ATOM 11166 C CD . GLU F 1 159 ? 20.305 56.941 116.254 1.00 58.69 ? ? ? ? ? ? 158 GLU F CD 1 +ATOM 11167 O OE1 . GLU F 1 159 ? 19.064 57.149 116.260 1.00 61.58 ? ? ? ? ? ? 158 GLU F OE1 1 +ATOM 11168 O OE2 . GLU F 1 159 ? 21.136 57.741 115.746 1.00 55.18 ? ? ? ? ? ? 158 GLU F OE2 1 +ATOM 11169 N N . ILE F 1 160 ? 19.030 51.514 117.712 1.00 35.34 ? ? ? ? ? ? 159 ILE F N 1 +ATOM 11170 C CA . ILE F 1 160 ? 18.744 50.435 118.654 1.00 34.01 ? ? ? ? ? ? 159 ILE F CA 1 +ATOM 11171 C C . ILE F 1 160 ? 19.315 49.124 118.085 1.00 32.57 ? ? ? ? ? ? 159 ILE F C 1 +ATOM 11172 O O . ILE F 1 160 ? 19.004 48.713 116.957 1.00 30.71 ? ? ? ? ? ? 159 ILE F O 1 +ATOM 11173 C CB . ILE F 1 160 ? 17.214 50.304 119.013 1.00 34.31 ? ? ? ? ? ? 159 ILE F CB 1 +ATOM 11174 C CG1 . ILE F 1 160 ? 16.676 51.627 119.622 1.00 35.63 ? ? ? ? ? ? 159 ILE F CG1 1 +ATOM 11175 C CG2 . ILE F 1 160 ? 17.000 49.160 120.001 1.00 29.68 ? ? ? ? ? ? 159 ILE F CG2 1 +ATOM 11176 C CD1 . ILE F 1 160 ? 15.151 51.695 119.808 1.00 35.01 ? ? ? ? ? ? 159 ILE F CD1 1 +ATOM 11177 N N . ASP F 1 161 ? 20.164 48.489 118.878 1.00 31.22 ? ? ? ? ? ? 160 ASP F N 1 +ATOM 11178 C CA . ASP F 1 161 ? 20.903 47.311 118.446 1.00 32.57 ? ? ? ? ? ? 160 ASP F CA 1 +ATOM 11179 C C . ASP F 1 161 ? 21.444 46.612 119.685 1.00 31.92 ? ? ? ? ? ? 160 ASP F C 1 +ATOM 11180 O O . ASP F 1 161 ? 22.645 46.659 119.938 1.00 32.63 ? ? ? ? ? ? 160 ASP F O 1 +ATOM 11181 C CB . ASP F 1 161 ? 22.036 47.750 117.487 1.00 31.97 ? ? ? ? ? ? 160 ASP F CB 1 +ATOM 11182 C CG . ASP F 1 161 ? 22.822 46.576 116.866 1.00 35.00 ? ? ? ? ? ? 160 ASP F CG 1 +ATOM 11183 O OD1 . ASP F 1 161 ? 22.475 45.389 117.066 1.00 35.15 ? ? ? ? ? ? 160 ASP F OD1 1 +ATOM 11184 O OD2 . ASP F 1 161 ? 23.838 46.870 116.191 1.00 40.84 ? ? ? ? ? ? 160 ASP F OD2 1 +ATOM 11185 N N . ASP F 1 162 ? 20.538 45.992 120.457 1.00 31.57 ? ? ? ? ? ? 161 ASP F N 1 +ATOM 11186 C CA . ASP F 1 162 ? 20.907 45.307 121.701 1.00 30.61 ? ? ? ? ? ? 161 ASP F CA 1 +ATOM 11187 C C . ASP F 1 162 ? 20.942 43.778 121.569 1.00 29.50 ? ? ? ? ? ? 161 ASP F C 1 +ATOM 11188 O O . ASP F 1 162 ? 21.754 43.140 122.215 1.00 30.42 ? ? ? ? ? ? 161 ASP F O 1 +ATOM 11189 C CB . ASP F 1 162 ? 19.945 45.672 122.849 1.00 31.66 ? ? ? ? ? ? 161 ASP F CB 1 +ATOM 11190 C CG . ASP F 1 162 ? 20.020 47.142 123.252 1.00 37.84 ? ? ? ? ? ? 161 ASP F CG 1 +ATOM 11191 O OD1 . ASP F 1 162 ? 21.130 47.734 123.201 1.00 46.75 ? ? ? ? ? ? 161 ASP F OD1 1 +ATOM 11192 O OD2 . ASP F 1 162 ? 18.958 47.703 123.628 1.00 46.84 ? ? ? ? ? ? 161 ASP F OD2 1 +ATOM 11193 N N . HIS F 1 163 ? 20.060 43.185 120.768 1.00 26.15 ? ? ? ? ? ? 162 HIS F N 1 +ATOM 11194 C CA . HIS F 1 163 ? 19.984 41.728 120.702 1.00 23.75 ? ? ? ? ? ? 162 HIS F CA 1 +ATOM 11195 C C . HIS F 1 163 ? 19.511 41.262 119.330 1.00 22.19 ? ? ? ? ? ? 162 HIS F C 1 +ATOM 11196 O O . HIS F 1 163 ? 18.409 41.601 118.915 1.00 20.72 ? ? ? ? ? ? 162 HIS F O 1 +ATOM 11197 C CB . HIS F 1 163 ? 19.058 41.211 121.800 1.00 22.64 ? ? ? ? ? ? 162 HIS F CB 1 +ATOM 11198 C CG . HIS F 1 163 ? 18.893 39.733 121.786 1.00 22.43 ? ? ? ? ? ? 162 HIS F CG 1 +ATOM 11199 N ND1 . HIS F 1 163 ? 19.911 38.871 122.128 1.00 22.55 ? ? ? ? ? ? 162 HIS F ND1 1 +ATOM 11200 C CD2 . HIS F 1 163 ? 17.838 38.957 121.456 1.00 25.21 ? ? ? ? ? ? 162 HIS F CD2 1 +ATOM 11201 C CE1 . HIS F 1 163 ? 19.487 37.629 122.011 1.00 23.55 ? ? ? ? ? ? 162 HIS F CE1 1 +ATOM 11202 N NE2 . HIS F 1 163 ? 18.234 37.649 121.612 1.00 18.73 ? ? ? ? ? ? 162 HIS F NE2 1 +ATOM 11203 N N . ALA F 1 164 ? 20.340 40.473 118.639 1.00 21.20 ? ? ? ? ? ? 163 ALA F N 1 +ATOM 11204 C CA . ALA F 1 164 ? 19.972 39.925 117.324 1.00 21.62 ? ? ? ? ? ? 163 ALA F CA 1 +ATOM 11205 C C . ALA F 1 164 ? 19.726 41.064 116.312 1.00 23.17 ? ? ? ? ? ? 163 ALA F C 1 +ATOM 11206 O O . ALA F 1 164 ? 18.905 40.940 115.416 1.00 23.71 ? ? ? ? ? ? 163 ALA F O 1 +ATOM 11207 C CB . ALA F 1 164 ? 18.714 39.044 117.427 1.00 18.76 ? ? ? ? ? ? 163 ALA F CB 1 +ATOM 11208 N N . GLY F 1 165 ? 20.437 42.161 116.484 1.00 23.39 ? ? ? ? ? ? 164 GLY F N 1 +ATOM 11209 C CA . GLY F 1 165 ? 20.214 43.372 115.718 1.00 24.11 ? ? ? ? ? ? 164 GLY F CA 1 +ATOM 11210 C C . GLY F 1 165 ? 21.174 43.419 114.571 1.00 23.45 ? ? ? ? ? ? 164 GLY F C 1 +ATOM 11211 O O . GLY F 1 165 ? 21.594 42.381 114.077 1.00 23.76 ? ? ? ? ? ? 164 GLY F O 1 +ATOM 11212 N N . GLU F 1 166 ? 21.542 44.625 114.156 1.00 23.04 ? ? ? ? ? ? 165 GLU F N 1 +ATOM 11213 C CA . GLU F 1 166 ? 22.317 44.791 112.946 1.00 22.78 ? ? ? ? ? ? 165 GLU F CA 1 +ATOM 11214 C C . GLU F 1 166 ? 23.699 44.259 113.109 1.00 22.05 ? ? ? ? ? ? 165 GLU F C 1 +ATOM 11215 O O . GLU F 1 166 ? 24.202 43.603 112.220 1.00 23.29 ? ? ? ? ? ? 165 GLU F O 1 +ATOM 11216 C CB . GLU F 1 166 ? 22.351 46.264 112.496 1.00 23.95 ? ? ? ? ? ? 165 GLU F CB 1 +ATOM 11217 C CG . GLU F 1 166 ? 22.857 46.454 111.048 1.00 25.86 ? ? ? ? ? ? 165 GLU F CG 1 +ATOM 11218 C CD . GLU F 1 166 ? 22.890 47.918 110.621 1.00 25.61 ? ? ? ? ? ? 165 GLU F CD 1 +ATOM 11219 O OE1 . GLU F 1 166 ? 21.901 48.625 110.875 1.00 21.02 ? ? ? ? ? ? 165 GLU F OE1 1 +ATOM 11220 O OE2 . GLU F 1 166 ? 23.906 48.342 110.047 1.00 26.11 ? ? ? ? ? ? 165 GLU F OE2 1 +ATOM 11221 N N . SER F 1 167 ? 24.326 44.543 114.239 1.00 22.73 ? ? ? ? ? ? 166 SER F N 1 +ATOM 11222 C CA . SER F 1 167 ? 25.691 44.136 114.496 1.00 22.80 ? ? ? ? ? ? 166 SER F CA 1 +ATOM 11223 C C . SER F 1 167 ? 25.866 42.617 114.621 1.00 23.04 ? ? ? ? ? ? 166 SER F C 1 +ATOM 11224 O O . SER F 1 167 ? 26.799 42.037 114.027 1.00 24.72 ? ? ? ? ? ? 166 SER F O 1 +ATOM 11225 C CB . SER F 1 167 ? 26.192 44.819 115.779 1.00 22.68 ? ? ? ? ? ? 166 SER F CB 1 +ATOM 11226 O OG . SER F 1 167 ? 25.267 44.643 116.844 1.00 26.65 ? ? ? ? ? ? 166 SER F OG 1 +ATOM 11227 N N . GLU F 1 168 ? 25.031 41.980 115.446 1.00 23.35 ? ? ? ? ? ? 167 GLU F N 1 +ATOM 11228 C CA . GLU F 1 168 ? 25.117 40.527 115.601 1.00 22.82 ? ? ? ? ? ? 167 GLU F CA 1 +ATOM 11229 C C . GLU F 1 168 ? 24.783 39.844 114.276 1.00 20.83 ? ? ? ? ? ? 167 GLU F C 1 +ATOM 11230 O O . GLU F 1 168 ? 25.389 38.824 113.926 1.00 20.25 ? ? ? ? ? ? 167 GLU F O 1 +ATOM 11231 C CB . GLU F 1 168 ? 24.180 40.005 116.703 1.00 23.10 ? ? ? ? ? ? 167 GLU F CB 1 +ATOM 11232 C CG . GLU F 1 168 ? 24.856 39.793 118.045 1.00 24.27 ? ? ? ? ? ? 167 GLU F CG 1 +ATOM 11233 C CD . GLU F 1 168 ? 24.013 39.032 119.061 1.00 25.37 ? ? ? ? ? ? 167 GLU F CD 1 +ATOM 11234 O OE1 . GLU F 1 168 ? 22.771 39.171 119.043 1.00 20.54 ? ? ? ? ? ? 167 GLU F OE1 1 +ATOM 11235 O OE2 . GLU F 1 168 ? 24.621 38.337 119.930 1.00 25.44 ? ? ? ? ? ? 167 GLU F OE2 1 +ATOM 11236 N N . THR F 1 169 ? 23.777 40.359 113.567 1.00 20.38 ? ? ? ? ? ? 168 THR F N 1 +ATOM 11237 C CA . THR F 1 169 ? 23.407 39.762 112.274 1.00 20.17 ? ? ? ? ? ? 168 THR F CA 1 +ATOM 11238 C C . THR F 1 169 ? 24.542 39.898 111.268 1.00 20.52 ? ? ? ? ? ? 168 THR F C 1 +ATOM 11239 O O . THR F 1 169 ? 24.851 38.945 110.577 1.00 21.91 ? ? ? ? ? ? 168 THR F O 1 +ATOM 11240 C CB . THR F 1 169 ? 22.126 40.348 111.680 1.00 20.32 ? ? ? ? ? ? 168 THR F CB 1 +ATOM 11241 O OG1 . THR F 1 169 ? 21.068 40.238 112.640 1.00 18.43 ? ? ? ? ? ? 168 THR F OG1 1 +ATOM 11242 C CG2 . THR F 1 169 ? 21.743 39.586 110.450 1.00 19.25 ? ? ? ? ? ? 168 THR F CG2 1 +ATOM 11243 N N . SER F 1 170 ? 25.174 41.065 111.210 1.00 20.47 ? ? ? ? ? ? 169 SER F N 1 +ATOM 11244 C CA . SER F 1 170 ? 26.262 41.306 110.262 1.00 20.74 ? ? ? ? ? ? 169 SER F CA 1 +ATOM 11245 C C . SER F 1 170 ? 27.415 40.379 110.521 1.00 20.94 ? ? ? ? ? ? 169 SER F C 1 +ATOM 11246 O O . SER F 1 170 ? 27.968 39.833 109.585 1.00 21.09 ? ? ? ? ? ? 169 SER F O 1 +ATOM 11247 C CB . SER F 1 170 ? 26.774 42.767 110.302 1.00 20.63 ? ? ? ? ? ? 169 SER F CB 1 +ATOM 11248 O OG . SER F 1 170 ? 25.791 43.680 109.848 1.00 22.31 ? ? ? ? ? ? 169 SER F OG 1 +ATOM 11249 N N . VAL F 1 171 ? 27.794 40.231 111.788 1.00 20.69 ? ? ? ? ? ? 170 VAL F N 1 +ATOM 11250 C CA . VAL F 1 171 ? 28.955 39.425 112.129 1.00 19.76 ? ? ? ? ? ? 170 VAL F CA 1 +ATOM 11251 C C . VAL F 1 171 ? 28.654 37.939 111.849 1.00 20.27 ? ? ? ? ? ? 170 VAL F C 1 +ATOM 11252 O O . VAL F 1 171 ? 29.517 37.227 111.388 1.00 22.21 ? ? ? ? ? ? 170 VAL F O 1 +ATOM 11253 C CB . VAL F 1 171 ? 29.411 39.659 113.578 1.00 21.04 ? ? ? ? ? ? 170 VAL F CB 1 +ATOM 11254 C CG1 . VAL F 1 171 ? 30.642 38.778 113.918 1.00 17.31 ? ? ? ? ? ? 170 VAL F CG1 1 +ATOM 11255 C CG2 . VAL F 1 171 ? 29.708 41.183 113.828 1.00 16.97 ? ? ? ? ? ? 170 VAL F CG2 1 +ATOM 11256 N N . MSE F 1 172 ? 27.413 37.498 112.058 1.00 19.79 ? ? ? ? ? ? 171 MSE F N 1 +ATOM 11257 C CA . MSE F 1 172 ? 27.012 36.121 111.687 1.00 20.49 ? ? ? ? ? ? 171 MSE F CA 1 +ATOM 11258 C C . MSE F 1 172 ? 27.072 35.965 110.164 1.00 21.21 ? ? ? ? ? ? 171 MSE F C 1 +ATOM 11259 O O . MSE F 1 172 ? 27.522 34.944 109.671 1.00 21.91 ? ? ? ? ? ? 171 MSE F O 1 +ATOM 11260 C CB . MSE F 1 172 ? 25.598 35.782 112.167 1.00 19.43 ? ? ? ? ? ? 171 MSE F CB 1 +ATOM 11261 C CG . MSE F 1 172 ? 25.213 34.321 111.971 1.00 21.93 ? ? ? ? ? ? 171 MSE F CG 1 +ATOM 11262 SE SE . MSE F 1 172 ? 26.432 33.049 112.937 0.75 21.14 ? ? ? ? ? ? 171 MSE F SE 1 +ATOM 11263 C CE . MSE F 1 172 ? 25.978 33.409 114.834 1.00 17.73 ? ? ? ? ? ? 171 MSE F CE 1 +ATOM 11264 N N . MSE F 1 173 ? 26.600 36.967 109.420 1.00 21.88 ? ? ? ? ? ? 172 MSE F N 1 +ATOM 11265 C CA . MSE F 1 173 ? 26.611 36.895 107.961 1.00 21.85 ? ? ? ? ? ? 172 MSE F CA 1 +ATOM 11266 C C . MSE F 1 173 ? 28.020 36.750 107.441 1.00 22.27 ? ? ? ? ? ? 172 MSE F C 1 +ATOM 11267 O O . MSE F 1 173 ? 28.250 36.046 106.453 1.00 23.60 ? ? ? ? ? ? 172 MSE F O 1 +ATOM 11268 C CB . MSE F 1 173 ? 25.924 38.098 107.333 1.00 20.97 ? ? ? ? ? ? 172 MSE F CB 1 +ATOM 11269 C CG . MSE F 1 173 ? 24.410 38.056 107.426 1.00 22.00 ? ? ? ? ? ? 172 MSE F CG 1 +ATOM 11270 SE SE . MSE F 1 173 ? 23.603 39.774 106.939 0.75 22.33 ? ? ? ? ? ? 172 MSE F SE 1 +ATOM 11271 C CE . MSE F 1 173 ? 23.555 39.643 104.870 1.00 21.27 ? ? ? ? ? ? 172 MSE F CE 1 +ATOM 11272 N N . HIS F 1 174 ? 28.958 37.389 108.122 1.00 21.67 ? ? ? ? ? ? 173 HIS F N 1 +ATOM 11273 C CA . HIS F 1 174 ? 30.378 37.285 107.778 1.00 21.77 ? ? ? ? ? ? 173 HIS F CA 1 +ATOM 11274 C C . HIS F 1 174 ? 30.948 35.908 108.061 1.00 22.98 ? ? ? ? ? ? 173 HIS F C 1 +ATOM 11275 O O . HIS F 1 174 ? 31.469 35.243 107.172 1.00 22.97 ? ? ? ? ? ? 173 HIS F O 1 +ATOM 11276 C CB . HIS F 1 174 ? 31.160 38.358 108.508 1.00 22.04 ? ? ? ? ? ? 173 HIS F CB 1 +ATOM 11277 C CG . HIS F 1 174 ? 32.637 38.185 108.461 1.00 21.91 ? ? ? ? ? ? 173 HIS F CG 1 +ATOM 11278 N ND1 . HIS F 1 174 ? 33.350 38.207 107.287 1.00 25.08 ? ? ? ? ? ? 173 HIS F ND1 1 +ATOM 11279 C CD2 . HIS F 1 174 ? 33.549 38.063 109.450 1.00 23.00 ? ? ? ? ? ? 173 HIS F CD2 1 +ATOM 11280 C CE1 . HIS F 1 174 ? 34.637 38.065 107.550 1.00 25.28 ? ? ? ? ? ? 173 HIS F CE1 1 +ATOM 11281 N NE2 . HIS F 1 174 ? 34.787 37.977 108.860 1.00 23.27 ? ? ? ? ? ? 173 HIS F NE2 1 +ATOM 11282 N N . TYR F 1 175 ? 30.815 35.465 109.300 1.00 22.76 ? ? ? ? ? ? 174 TYR F N 1 +ATOM 11283 C CA . TYR F 1 175 ? 31.403 34.201 109.720 1.00 21.55 ? ? ? ? ? ? 174 TYR F CA 1 +ATOM 11284 C C . TYR F 1 175 ? 30.633 32.979 109.255 1.00 20.50 ? ? ? ? ? ? 174 TYR F C 1 +ATOM 11285 O O . TYR F 1 175 ? 31.245 32.010 108.893 1.00 19.25 ? ? ? ? ? ? 174 TYR F O 1 +ATOM 11286 C CB . TYR F 1 175 ? 31.525 34.150 111.256 1.00 21.45 ? ? ? ? ? ? 174 TYR F CB 1 +ATOM 11287 C CG . TYR F 1 175 ? 32.718 34.896 111.815 1.00 21.45 ? ? ? ? ? ? 174 TYR F CG 1 +ATOM 11288 C CD1 . TYR F 1 175 ? 34.016 34.581 111.423 1.00 22.72 ? ? ? ? ? ? 174 TYR F CD1 1 +ATOM 11289 C CD2 . TYR F 1 175 ? 32.545 35.905 112.742 1.00 19.00 ? ? ? ? ? ? 174 TYR F CD2 1 +ATOM 11290 C CE1 . TYR F 1 175 ? 35.104 35.269 111.943 1.00 21.50 ? ? ? ? ? ? 174 TYR F CE1 1 +ATOM 11291 C CE2 . TYR F 1 175 ? 33.614 36.584 113.262 1.00 20.16 ? ? ? ? ? ? 174 TYR F CE2 1 +ATOM 11292 C CZ . TYR F 1 175 ? 34.891 36.251 112.870 1.00 23.17 ? ? ? ? ? ? 174 TYR F CZ 1 +ATOM 11293 O OH . TYR F 1 175 ? 35.933 36.946 113.412 1.00 19.45 ? ? ? ? ? ? 174 TYR F OH 1 +ATOM 11294 N N . HIS F 1 176 ? 29.301 33.001 109.322 1.00 21.59 ? ? ? ? ? ? 175 HIS F N 1 +ATOM 11295 C CA . HIS F 1 176 ? 28.498 31.845 108.917 1.00 22.26 ? ? ? ? ? ? 175 HIS F CA 1 +ATOM 11296 C C . HIS F 1 176 ? 27.278 32.250 108.108 1.00 23.19 ? ? ? ? ? ? 175 HIS F C 1 +ATOM 11297 O O . HIS F 1 176 ? 26.162 32.150 108.571 1.00 23.35 ? ? ? ? ? ? 175 HIS F O 1 +ATOM 11298 C CB . HIS F 1 176 ? 28.062 31.026 110.135 1.00 22.36 ? ? ? ? ? ? 175 HIS F CB 1 +ATOM 11299 C CG . HIS F 1 176 ? 29.198 30.364 110.849 1.00 23.02 ? ? ? ? ? ? 175 HIS F CG 1 +ATOM 11300 N ND1 . HIS F 1 176 ? 29.737 29.169 110.434 1.00 21.12 ? ? ? ? ? ? 175 HIS F ND1 1 +ATOM 11301 C CD2 . HIS F 1 176 ? 29.922 30.755 111.922 1.00 22.81 ? ? ? ? ? ? 175 HIS F CD2 1 +ATOM 11302 C CE1 . HIS F 1 176 ? 30.727 28.839 111.239 1.00 27.28 ? ? ? ? ? ? 175 HIS F CE1 1 +ATOM 11303 N NE2 . HIS F 1 176 ? 30.876 29.798 112.133 1.00 23.99 ? ? ? ? ? ? 175 HIS F NE2 1 +ATOM 11304 N N . PRO F 1 177 ? 27.491 32.688 106.872 1.00 25.05 ? ? ? ? ? ? 176 PRO F N 1 +ATOM 11305 C CA . PRO F 1 177 ? 26.375 33.101 106.025 1.00 25.95 ? ? ? ? ? ? 176 PRO F CA 1 +ATOM 11306 C C . PRO F 1 177 ? 25.266 32.044 105.802 1.00 25.98 ? ? ? ? ? ? 176 PRO F C 1 +ATOM 11307 O O . PRO F 1 177 ? 24.114 32.401 105.562 1.00 26.87 ? ? ? ? ? ? 176 PRO F O 1 +ATOM 11308 C CB . PRO F 1 177 ? 27.049 33.481 104.695 1.00 24.69 ? ? ? ? ? ? 176 PRO F CB 1 +ATOM 11309 C CG . PRO F 1 177 ? 28.437 32.942 104.761 1.00 25.74 ? ? ? ? ? ? 176 PRO F CG 1 +ATOM 11310 C CD . PRO F 1 177 ? 28.801 32.855 106.217 1.00 24.88 ? ? ? ? ? ? 176 PRO F CD 1 +ATOM 11311 N N . GLU F 1 178 ? 25.649 30.773 105.843 1.00 27.42 ? ? ? ? ? ? 177 GLU F N 1 +ATOM 11312 C CA . GLU F 1 178 ? 24.739 29.653 105.700 1.00 27.33 ? ? ? ? ? ? 177 GLU F CA 1 +ATOM 11313 C C . GLU F 1 178 ? 23.777 29.490 106.895 1.00 27.48 ? ? ? ? ? ? 177 GLU F C 1 +ATOM 11314 O O . GLU F 1 178 ? 22.841 28.727 106.803 1.00 26.36 ? ? ? ? ? ? 177 GLU F O 1 +ATOM 11315 C CB . GLU F 1 178 ? 25.543 28.361 105.501 1.00 26.32 ? ? ? ? ? ? 177 GLU F CB 1 +ATOM 11316 C CG . GLU F 1 178 ? 26.174 27.697 106.739 1.00 29.97 ? ? ? ? ? ? 177 GLU F CG 1 +ATOM 11317 C CD . GLU F 1 178 ? 27.455 28.376 107.227 1.00 35.17 ? ? ? ? ? ? 177 GLU F CD 1 +ATOM 11318 O OE1 . GLU F 1 178 ? 27.944 29.329 106.562 1.00 28.56 ? ? ? ? ? ? 177 GLU F OE1 1 +ATOM 11319 O OE2 . GLU F 1 178 ? 27.961 27.950 108.290 1.00 33.56 ? ? ? ? ? ? 177 GLU F OE2 1 +ATOM 11320 N N . LEU F 1 179 ? 24.049 30.163 108.022 1.00 26.29 ? ? ? ? ? ? 178 LEU F N 1 +ATOM 11321 C CA . LEU F 1 179 ? 23.247 30.002 109.227 1.00 25.61 ? ? ? ? ? ? 178 LEU F CA 1 +ATOM 11322 C C . LEU F 1 179 ? 22.195 31.092 109.372 1.00 26.72 ? ? ? ? ? ? 178 LEU F C 1 +ATOM 11323 O O . LEU F 1 179 ? 21.364 31.027 110.274 1.00 28.48 ? ? ? ? ? ? 178 LEU F O 1 +ATOM 11324 C CB . LEU F 1 179 ? 24.134 29.951 110.478 1.00 23.70 ? ? ? ? ? ? 178 LEU F CB 1 +ATOM 11325 C CG . LEU F 1 179 ? 25.040 28.731 110.653 1.00 25.02 ? ? ? ? ? ? 178 LEU F CG 1 +ATOM 11326 C CD1 . LEU F 1 179 ? 25.719 28.742 111.996 1.00 19.29 ? ? ? ? ? ? 178 LEU F CD1 1 +ATOM 11327 C CD2 . LEU F 1 179 ? 24.291 27.399 110.469 1.00 25.86 ? ? ? ? ? ? 178 LEU F CD2 1 +ATOM 11328 N N . VAL F 1 180 ? 22.222 32.093 108.498 1.00 26.79 ? ? ? ? ? ? 179 VAL F N 1 +ATOM 11329 C CA . VAL F 1 180 ? 21.309 33.224 108.627 1.00 27.03 ? ? ? ? ? ? 179 VAL F CA 1 +ATOM 11330 C C . VAL F 1 180 ? 20.609 33.567 107.305 1.00 28.18 ? ? ? ? ? ? 179 VAL F C 1 +ATOM 11331 O O . VAL F 1 180 ? 21.249 33.804 106.295 1.00 28.63 ? ? ? ? ? ? 179 VAL F O 1 +ATOM 11332 C CB . VAL F 1 180 ? 22.021 34.478 109.255 1.00 28.84 ? ? ? ? ? ? 179 VAL F CB 1 +ATOM 11333 C CG1 . VAL F 1 180 ? 23.411 34.651 108.718 1.00 25.92 ? ? ? ? ? ? 179 VAL F CG1 1 +ATOM 11334 C CG2 . VAL F 1 180 ? 21.198 35.751 109.016 1.00 28.74 ? ? ? ? ? ? 179 VAL F CG2 1 +ATOM 11335 N N . ASN F 1 181 ? 19.283 33.578 107.317 1.00 29.32 ? ? ? ? ? ? 180 ASN F N 1 +ATOM 11336 C CA . ASN F 1 181 ? 18.514 34.057 106.193 1.00 30.33 ? ? ? ? ? ? 180 ASN F CA 1 +ATOM 11337 C C . ASN F 1 181 ? 17.865 35.362 106.619 1.00 27.66 ? ? ? ? ? ? 180 ASN F C 1 +ATOM 11338 O O . ASN F 1 181 ? 16.804 35.359 107.259 1.00 26.82 ? ? ? ? ? ? 180 ASN F O 1 +ATOM 11339 C CB . ASN F 1 181 ? 17.467 33.021 105.749 1.00 33.30 ? ? ? ? ? ? 180 ASN F CB 1 +ATOM 11340 C CG . ASN F 1 181 ? 18.095 31.770 105.070 1.00 43.62 ? ? ? ? ? ? 180 ASN F CG 1 +ATOM 11341 O OD1 . ASN F 1 181 ? 19.077 31.870 104.317 1.00 62.26 ? ? ? ? ? ? 180 ASN F OD1 1 +ATOM 11342 N ND2 . ASN F 1 181 ? 17.509 30.588 105.332 1.00 54.80 ? ? ? ? ? ? 180 ASN F ND2 1 +ATOM 11343 N N . LEU F 1 182 ? 18.507 36.473 106.255 1.00 26.70 ? ? ? ? ? ? 181 LEU F N 1 +ATOM 11344 C CA . LEU F 1 182 ? 18.038 37.795 106.633 1.00 27.20 ? ? ? ? ? ? 181 LEU F CA 1 +ATOM 11345 C C . LEU F 1 182 ? 16.558 38.039 106.297 1.00 27.14 ? ? ? ? ? ? 181 LEU F C 1 +ATOM 11346 O O . LEU F 1 182 ? 15.879 38.728 107.055 1.00 26.61 ? ? ? ? ? ? 181 LEU F O 1 +ATOM 11347 C CB . LEU F 1 182 ? 18.936 38.893 106.031 1.00 27.34 ? ? ? ? ? ? 181 LEU F CB 1 +ATOM 11348 C CG . LEU F 1 182 ? 18.758 40.329 106.534 1.00 28.54 ? ? ? ? ? ? 181 LEU F CG 1 +ATOM 11349 C CD1 . LEU F 1 182 ? 19.072 40.434 108.026 1.00 27.66 ? ? ? ? ? ? 181 LEU F CD1 1 +ATOM 11350 C CD2 . LEU F 1 182 ? 19.636 41.251 105.742 1.00 25.40 ? ? ? ? ? ? 181 LEU F CD2 1 +ATOM 11351 N N . ALA F 1 183 ? 16.057 37.464 105.189 1.00 28.05 ? ? ? ? ? ? 182 ALA F N 1 +ATOM 11352 C CA . ALA F 1 183 ? 14.641 37.615 104.786 1.00 28.68 ? ? ? ? ? ? 182 ALA F CA 1 +ATOM 11353 C C . ALA F 1 183 ? 13.652 37.095 105.822 1.00 29.91 ? ? ? ? ? ? 182 ALA F C 1 +ATOM 11354 O O . ALA F 1 183 ? 12.460 37.414 105.781 1.00 29.83 ? ? ? ? ? ? 182 ALA F O 1 +ATOM 11355 C CB . ALA F 1 183 ? 14.360 36.915 103.462 1.00 29.44 ? ? ? ? ? ? 182 ALA F CB 1 +ATOM 11356 N N . GLU F 1 184 ? 14.146 36.287 106.749 1.00 30.26 ? ? ? ? ? ? 183 GLU F N 1 +ATOM 11357 C CA . GLU F 1 184 ? 13.298 35.745 107.816 1.00 31.55 ? ? ? ? ? ? 183 GLU F CA 1 +ATOM 11358 C C . GLU F 1 184 ? 13.160 36.631 109.058 1.00 28.04 ? ? ? ? ? ? 183 GLU F C 1 +ATOM 11359 O O . GLU F 1 184 ? 12.307 36.364 109.887 1.00 27.32 ? ? ? ? ? ? 183 GLU F O 1 +ATOM 11360 C CB . GLU F 1 184 ? 13.790 34.348 108.205 1.00 32.03 ? ? ? ? ? ? 183 GLU F CB 1 +ATOM 11361 C CG . GLU F 1 184 ? 13.718 33.417 107.019 1.00 35.10 ? ? ? ? ? ? 183 GLU F CG 1 +ATOM 11362 C CD . GLU F 1 184 ? 14.367 32.086 107.269 1.00 42.04 ? ? ? ? ? ? 183 GLU F CD 1 +ATOM 11363 O OE1 . GLU F 1 184 ? 14.776 31.819 108.450 1.00 43.81 ? ? ? ? ? ? 183 GLU F OE1 1 +ATOM 11364 O OE2 . GLU F 1 184 ? 14.465 31.332 106.265 1.00 42.41 ? ? ? ? ? ? 183 GLU F OE2 1 +ATOM 11365 N N . ALA F 1 185 ? 13.961 37.701 109.135 1.00 26.55 ? ? ? ? ? ? 184 ALA F N 1 +ATOM 11366 C CA . ALA F 1 185 ? 13.999 38.598 110.285 1.00 25.32 ? ? ? ? ? ? 184 ALA F CA 1 +ATOM 11367 C C . ALA F 1 185 ? 12.702 39.385 110.482 1.00 26.48 ? ? ? ? ? ? 184 ALA F C 1 +ATOM 11368 O O . ALA F 1 185 ? 12.036 39.783 109.521 1.00 27.12 ? ? ? ? ? ? 184 ALA F O 1 +ATOM 11369 C CB . ALA F 1 185 ? 15.199 39.566 110.152 1.00 24.02 ? ? ? ? ? ? 184 ALA F CB 1 +ATOM 11370 N N . GLY F 1 186 ? 12.325 39.574 111.744 1.00 26.10 ? ? ? ? ? ? 185 GLY F N 1 +ATOM 11371 C CA . GLY F 1 186 ? 11.352 40.577 112.114 1.00 24.63 ? ? ? ? ? ? 185 GLY F CA 1 +ATOM 11372 C C . GLY F 1 186 ? 12.072 41.896 112.383 1.00 25.24 ? ? ? ? ? ? 185 GLY F C 1 +ATOM 11373 O O . GLY F 1 186 ? 13.321 41.963 112.381 1.00 24.69 ? ? ? ? ? ? 185 GLY F O 1 +ATOM 11374 N N . ASP F 1 187 ? 11.296 42.950 112.644 1.00 26.41 ? ? ? ? ? ? 186 ASP F N 1 +ATOM 11375 C CA . ASP F 1 187 ? 11.864 44.295 112.842 1.00 26.66 ? ? ? ? ? ? 186 ASP F CA 1 +ATOM 11376 C C . ASP F 1 187 ? 12.534 44.469 114.186 1.00 27.09 ? ? ? ? ? ? 186 ASP F C 1 +ATOM 11377 O O . ASP F 1 187 ? 13.193 45.485 114.398 1.00 26.73 ? ? ? ? ? ? 186 ASP F O 1 +ATOM 11378 C CB . ASP F 1 187 ? 10.775 45.389 112.684 1.00 28.17 ? ? ? ? ? ? 186 ASP F CB 1 +ATOM 11379 C CG . ASP F 1 187 ? 10.209 45.461 111.268 1.00 32.15 ? ? ? ? ? ? 186 ASP F CG 1 +ATOM 11380 O OD1 . ASP F 1 187 ? 10.858 44.945 110.330 1.00 42.84 ? ? ? ? ? ? 186 ASP F OD1 1 +ATOM 11381 O OD2 . ASP F 1 187 ? 9.121 46.050 111.078 1.00 40.80 ? ? ? ? ? ? 186 ASP F OD2 1 +ATOM 11382 N N . GLY F 1 188 ? 12.365 43.511 115.102 1.00 26.84 ? ? ? ? ? ? 187 GLY F N 1 +ATOM 11383 C CA . GLY F 1 188 ? 12.968 43.636 116.422 1.00 26.85 ? ? ? ? ? ? 187 GLY F CA 1 +ATOM 11384 C C . GLY F 1 188 ? 12.481 44.855 117.203 1.00 26.93 ? ? ? ? ? ? 187 GLY F C 1 +ATOM 11385 O O . GLY F 1 188 ? 13.233 45.449 117.966 1.00 25.14 ? ? ? ? ? ? 187 GLY F O 1 +ATOM 11386 N N . GLU F 1 189 ? 11.204 45.201 117.024 1.00 27.75 ? ? ? ? ? ? 188 GLU F N 1 +ATOM 11387 C CA . GLU F 1 189 ? 10.625 46.323 117.754 1.00 30.47 ? ? ? ? ? ? 188 GLU F CA 1 +ATOM 11388 C C . GLU F 1 189 ? 10.656 46.027 119.273 1.00 30.55 ? ? ? ? ? ? 188 GLU F C 1 +ATOM 11389 O O . GLU F 1 189 ? 10.393 44.895 119.710 1.00 29.99 ? ? ? ? ? ? 188 GLU F O 1 +ATOM 11390 C CB . GLU F 1 189 ? 9.207 46.642 117.250 1.00 29.53 ? ? ? ? ? ? 188 GLU F CB 1 +ATOM 11391 N N . SER F 1 190 ? 11.038 47.043 120.055 1.00 32.00 ? ? ? ? ? ? 189 SER F N 1 +ATOM 11392 C CA . SER F 1 190 ? 11.122 46.942 121.522 1.00 32.94 ? ? ? ? ? ? 189 SER F CA 1 +ATOM 11393 C C . SER F 1 190 ? 10.315 48.054 122.230 1.00 33.81 ? ? ? ? ? ? 189 SER F C 1 +ATOM 11394 O O . SER F 1 190 ? 10.045 49.134 121.670 1.00 34.42 ? ? ? ? ? ? 189 SER F O 1 +ATOM 11395 C CB . SER F 1 190 ? 12.587 46.975 121.985 1.00 33.07 ? ? ? ? ? ? 189 SER F CB 1 +ATOM 11396 O OG . SER F 1 190 ? 13.233 48.161 121.560 1.00 36.19 ? ? ? ? ? ? 189 SER F OG 1 +ATOM 11397 N N . LYS F 1 191 ? 9.923 47.755 123.463 1.00 32.71 ? ? ? ? ? ? 190 LYS F N 1 +ATOM 11398 C CA . LYS F 1 191 ? 9.052 48.624 124.234 1.00 34.58 ? ? ? ? ? ? 190 LYS F CA 1 +ATOM 11399 C C . LYS F 1 191 ? 9.806 48.938 125.519 1.00 31.77 ? ? ? ? ? ? 190 LYS F C 1 +ATOM 11400 O O . LYS F 1 191 ? 10.395 48.039 126.109 1.00 31.06 ? ? ? ? ? ? 190 LYS F O 1 +ATOM 11401 C CB . LYS F 1 191 ? 7.730 47.893 124.499 1.00 35.06 ? ? ? ? ? ? 190 LYS F CB 1 +ATOM 11402 C CG . LYS F 1 191 ? 6.588 48.791 124.850 1.00 42.66 ? ? ? ? ? ? 190 LYS F CG 1 +ATOM 11403 C CD . LYS F 1 191 ? 5.248 48.064 124.772 1.00 45.20 ? ? ? ? ? ? 190 LYS F CD 1 +ATOM 11404 C CE . LYS F 1 191 ? 4.850 47.428 126.098 1.00 53.46 ? ? ? ? ? ? 190 LYS F CE 1 +ATOM 11405 N NZ . LYS F 1 191 ? 4.234 48.397 127.031 1.00 53.78 ? ? ? ? ? ? 190 LYS F NZ 1 +ATOM 11406 N N . PRO F 1 192 ? 9.853 50.217 125.922 1.00 30.66 ? ? ? ? ? ? 191 PRO F N 1 +ATOM 11407 C CA . PRO F 1 192 ? 10.575 50.579 127.137 1.00 29.78 ? ? ? ? ? ? 191 PRO F CA 1 +ATOM 11408 C C . PRO F 1 192 ? 9.738 50.297 128.379 1.00 26.89 ? ? ? ? ? ? 191 PRO F C 1 +ATOM 11409 O O . PRO F 1 192 ? 8.578 49.900 128.259 1.00 26.53 ? ? ? ? ? ? 191 PRO F O 1 +ATOM 11410 C CB . PRO F 1 192 ? 10.789 52.088 126.960 1.00 29.97 ? ? ? ? ? ? 191 PRO F CB 1 +ATOM 11411 C CG . PRO F 1 192 ? 9.582 52.511 126.245 1.00 30.59 ? ? ? ? ? ? 191 PRO F CG 1 +ATOM 11412 C CD . PRO F 1 192 ? 9.249 51.405 125.293 1.00 30.63 ? ? ? ? ? ? 191 PRO F CD 1 +ATOM 11413 N N . PHE F 1 193 ? 10.331 50.516 129.547 1.00 26.40 ? ? ? ? ? ? 192 PHE F N 1 +ATOM 11414 C CA . PHE F 1 193 ? 9.621 50.434 130.842 1.00 25.98 ? ? ? ? ? ? 192 PHE F CA 1 +ATOM 11415 C C . PHE F 1 193 ? 8.636 51.577 130.958 1.00 26.21 ? ? ? ? ? ? 192 PHE F C 1 +ATOM 11416 O O . PHE F 1 193 ? 8.823 52.609 130.314 1.00 26.08 ? ? ? ? ? ? 192 PHE F O 1 +ATOM 11417 C CB . PHE F 1 193 ? 10.604 50.533 132.007 1.00 25.74 ? ? ? ? ? ? 192 PHE F CB 1 +ATOM 11418 C CG . PHE F 1 193 ? 11.593 49.396 132.082 1.00 23.36 ? ? ? ? ? ? 192 PHE F CG 1 +ATOM 11419 C CD1 . PHE F 1 193 ? 11.156 48.087 132.244 1.00 24.36 ? ? ? ? ? ? 192 PHE F CD1 1 +ATOM 11420 C CD2 . PHE F 1 193 ? 12.972 49.644 132.063 1.00 24.19 ? ? ? ? ? ? 192 PHE F CD2 1 +ATOM 11421 C CE1 . PHE F 1 193 ? 12.099 47.037 132.333 1.00 24.33 ? ? ? ? ? ? 192 PHE F CE1 1 +ATOM 11422 C CE2 . PHE F 1 193 ? 13.897 48.615 132.163 1.00 22.85 ? ? ? ? ? ? 192 PHE F CE2 1 +ATOM 11423 C CZ . PHE F 1 193 ? 13.456 47.320 132.321 1.00 24.78 ? ? ? ? ? ? 192 PHE F CZ 1 +ATOM 11424 N N . ALA F 1 194 ? 7.595 51.379 131.769 1.00 26.61 ? ? ? ? ? ? 193 ALA F N 1 +ATOM 11425 C CA . ALA F 1 194 ? 6.639 52.439 132.132 1.00 27.26 ? ? ? ? ? ? 193 ALA F CA 1 +ATOM 11426 C C . ALA F 1 194 ? 7.137 53.288 133.317 1.00 28.27 ? ? ? ? ? ? 193 ALA F C 1 +ATOM 11427 O O . ALA F 1 194 ? 6.509 54.315 133.658 1.00 29.64 ? ? ? ? ? ? 193 ALA F O 1 +ATOM 11428 C CB . ALA F 1 194 ? 5.271 51.823 132.461 1.00 24.47 ? ? ? ? ? ? 193 ALA F CB 1 +ATOM 11429 N N . ILE F 1 195 ? 8.231 52.839 133.951 1.00 28.08 ? ? ? ? ? ? 194 ILE F N 1 +ATOM 11430 C CA . ILE F 1 195 ? 8.918 53.572 135.028 1.00 25.58 ? ? ? ? ? ? 194 ILE F CA 1 +ATOM 11431 C C . ILE F 1 195 ? 10.095 54.384 134.435 1.00 26.22 ? ? ? ? ? ? 194 ILE F C 1 +ATOM 11432 O O . ILE F 1 195 ? 11.139 53.826 134.167 1.00 26.67 ? ? ? ? ? ? 194 ILE F O 1 +ATOM 11433 C CB . ILE F 1 195 ? 9.435 52.587 136.120 1.00 24.56 ? ? ? ? ? ? 194 ILE F CB 1 +ATOM 11434 C CG1 . ILE F 1 195 ? 8.233 51.904 136.784 1.00 26.82 ? ? ? ? ? ? 194 ILE F CG1 1 +ATOM 11435 C CG2 . ILE F 1 195 ? 10.320 53.315 137.151 1.00 19.34 ? ? ? ? ? ? 194 ILE F CG2 1 +ATOM 11436 C CD1 . ILE F 1 195 ? 8.566 50.631 137.617 1.00 25.11 ? ? ? ? ? ? 194 ILE F CD1 1 +ATOM 11437 N N . ALA F 1 196 ? 9.913 55.688 134.230 1.00 25.49 ? ? ? ? ? ? 195 ALA F N 1 +ATOM 11438 C CA . ALA F 1 196 ? 10.875 56.523 133.458 1.00 25.01 ? ? ? ? ? ? 195 ALA F CA 1 +ATOM 11439 C C . ALA F 1 196 ? 12.328 56.421 133.950 1.00 24.73 ? ? ? ? ? ? 195 ALA F C 1 +ATOM 11440 O O . ALA F 1 196 ? 13.244 56.263 133.156 1.00 25.53 ? ? ? ? ? ? 195 ALA F O 1 +ATOM 11441 C CB . ALA F 1 196 ? 10.450 57.984 133.465 1.00 23.56 ? ? ? ? ? ? 195 ALA F CB 1 +ATOM 11442 N N . SER F 1 197 ? 12.512 56.498 135.268 1.00 24.44 ? ? ? ? ? ? 196 SER F N 1 +ATOM 11443 C CA . SER F 1 197 ? 13.830 56.417 135.910 1.00 23.88 ? ? ? ? ? ? 196 SER F CA 1 +ATOM 11444 C C . SER F 1 197 ? 14.579 55.145 135.544 1.00 23.68 ? ? ? ? ? ? 196 SER F C 1 +ATOM 11445 O O . SER F 1 197 ? 15.806 55.149 135.477 1.00 23.14 ? ? ? ? ? ? 196 SER F O 1 +ATOM 11446 C CB . SER F 1 197 ? 13.706 56.557 137.432 1.00 24.02 ? ? ? ? ? ? 196 SER F CB 1 +ATOM 11447 O OG . SER F 1 197 ? 13.092 57.809 137.763 1.00 27.12 ? ? ? ? ? ? 196 SER F OG 1 +ATOM 11448 N N . LEU F 1 198 ? 13.850 54.064 135.274 1.00 23.98 ? ? ? ? ? ? 197 LEU F N 1 +ATOM 11449 C CA . LEU F 1 198 ? 14.512 52.829 134.810 1.00 24.25 ? ? ? ? ? ? 197 LEU F CA 1 +ATOM 11450 C C . LEU F 1 198 ? 14.935 52.968 133.364 1.00 25.10 ? ? ? ? ? ? 197 LEU F C 1 +ATOM 11451 O O . LEU F 1 198 ? 15.967 52.424 132.986 1.00 26.17 ? ? ? ? ? ? 197 LEU F O 1 +ATOM 11452 C CB . LEU F 1 198 ? 13.642 51.586 134.988 1.00 23.56 ? ? ? ? ? ? 197 LEU F CB 1 +ATOM 11453 C CG . LEU F 1 198 ? 13.251 51.172 136.392 1.00 24.20 ? ? ? ? ? ? 197 LEU F CG 1 +ATOM 11454 C CD1 . LEU F 1 198 ? 12.506 49.845 136.355 1.00 22.75 ? ? ? ? ? ? 197 LEU F CD1 1 +ATOM 11455 C CD2 . LEU F 1 198 ? 14.468 51.139 137.342 1.00 17.84 ? ? ? ? ? ? 197 LEU F CD2 1 +ATOM 11456 N N . ASN F 1 199 ? 14.168 53.688 132.548 1.00 26.47 ? ? ? ? ? ? 198 ASN F N 1 +ATOM 11457 C CA . ASN F 1 199 ? 14.604 53.952 131.161 1.00 27.34 ? ? ? ? ? ? 198 ASN F CA 1 +ATOM 11458 C C . ASN F 1 199 ? 15.837 54.876 131.169 1.00 27.87 ? ? ? ? ? ? 198 ASN F C 1 +ATOM 11459 O O . ASN F 1 199 ? 16.769 54.690 130.388 1.00 27.48 ? ? ? ? ? ? 198 ASN F O 1 +ATOM 11460 C CB . ASN F 1 199 ? 13.487 54.539 130.300 1.00 27.65 ? ? ? ? ? ? 198 ASN F CB 1 +ATOM 11461 C CG . ASN F 1 199 ? 12.327 53.587 130.111 1.00 26.58 ? ? ? ? ? ? 198 ASN F CG 1 +ATOM 11462 O OD1 . ASN F 1 199 ? 12.502 52.367 129.973 1.00 29.48 ? ? ? ? ? ? 198 ASN F OD1 1 +ATOM 11463 N ND2 . ASN F 1 199 ? 11.134 54.131 130.110 1.00 25.49 ? ? ? ? ? ? 198 ASN F ND2 1 +ATOM 11464 N N . GLU F 1 200 ? 15.851 55.823 132.110 1.00 28.70 ? ? ? ? ? ? 199 GLU F N 1 +ATOM 11465 C CA . GLU F 1 200 ? 16.963 56.753 132.286 1.00 30.93 ? ? ? ? ? ? 199 GLU F CA 1 +ATOM 11466 C C . GLU F 1 200 ? 18.172 56.099 132.925 1.00 29.93 ? ? ? ? ? ? 199 GLU F C 1 +ATOM 11467 O O . GLU F 1 200 ? 19.232 56.695 132.956 1.00 29.82 ? ? ? ? ? ? 199 GLU F O 1 +ATOM 11468 C CB . GLU F 1 200 ? 16.550 57.930 133.180 1.00 30.59 ? ? ? ? ? ? 199 GLU F CB 1 +ATOM 11469 C CG . GLU F 1 200 ? 15.501 58.881 132.613 1.00 37.16 ? ? ? ? ? ? 199 GLU F CG 1 +ATOM 11470 C CD . GLU F 1 200 ? 14.788 59.687 133.720 1.00 39.60 ? ? ? ? ? ? 199 GLU F CD 1 +ATOM 11471 O OE1 . GLU F 1 200 ? 15.362 59.808 134.848 1.00 47.92 ? ? ? ? ? ? 199 GLU F OE1 1 +ATOM 11472 O OE2 . GLU F 1 200 ? 13.660 60.178 133.456 1.00 51.54 ? ? ? ? ? ? 199 GLU F OE2 1 +ATOM 11473 N N . LYS F 1 201 ? 18.006 54.900 133.476 1.00 30.05 ? ? ? ? ? ? 200 LYS F N 1 +ATOM 11474 C CA . LYS F 1 201 ? 19.110 54.148 134.108 1.00 30.10 ? ? ? ? ? ? 200 LYS F CA 1 +ATOM 11475 C C . LYS F 1 201 ? 19.586 54.698 135.459 1.00 27.64 ? ? ? ? ? ? 200 LYS F C 1 +ATOM 11476 O O . LYS F 1 201 ? 20.745 54.520 135.827 1.00 27.48 ? ? ? ? ? ? 200 LYS F O 1 +ATOM 11477 C CB . LYS F 1 201 ? 20.288 53.965 133.145 1.00 31.21 ? ? ? ? ? ? 200 LYS F CB 1 +ATOM 11478 C CG . LYS F 1 201 ? 19.844 53.267 131.867 1.00 36.17 ? ? ? ? ? ? 200 LYS F CG 1 +ATOM 11479 C CD . LYS F 1 201 ? 20.972 52.929 130.930 1.00 39.85 ? ? ? ? ? ? 200 LYS F CD 1 +ATOM 11480 C CE . LYS F 1 201 ? 20.355 52.267 129.666 1.00 49.73 ? ? ? ? ? ? 200 LYS F CE 1 +ATOM 11481 N NZ . LYS F 1 201 ? 21.361 51.807 128.689 1.00 54.26 ? ? ? ? ? ? 200 LYS F NZ 1 +ATOM 11482 N N . VAL F 1 202 ? 18.667 55.305 136.216 1.00 25.11 ? ? ? ? ? ? 201 VAL F N 1 +ATOM 11483 C CA . VAL F 1 202 ? 18.936 55.655 137.642 1.00 24.40 ? ? ? ? ? ? 201 VAL F CA 1 +ATOM 11484 C C . VAL F 1 202 ? 19.178 54.350 138.427 1.00 23.66 ? ? ? ? ? ? 201 VAL F C 1 +ATOM 11485 O O . VAL F 1 202 ? 20.052 54.288 139.285 1.00 23.14 ? ? ? ? ? ? 201 VAL F O 1 +ATOM 11486 C CB . VAL F 1 202 ? 17.776 56.451 138.295 1.00 23.82 ? ? ? ? ? ? 201 VAL F CB 1 +ATOM 11487 C CG1 . VAL F 1 202 ? 18.017 56.617 139.823 1.00 18.14 ? ? ? ? ? ? 201 VAL F CG1 1 +ATOM 11488 C CG2 . VAL F 1 202 ? 17.562 57.789 137.563 1.00 22.18 ? ? ? ? ? ? 201 VAL F CG2 1 +ATOM 11489 N N . ALA F 1 203 ? 18.403 53.320 138.099 1.00 22.51 ? ? ? ? ? ? 202 ALA F N 1 +ATOM 11490 C CA . ALA F 1 203 ? 18.606 51.970 138.610 1.00 21.26 ? ? ? ? ? ? 202 ALA F CA 1 +ATOM 11491 C C . ALA F 1 203 ? 18.389 50.930 137.479 1.00 21.95 ? ? ? ? ? ? 202 ALA F C 1 +ATOM 11492 O O . ALA F 1 203 ? 17.888 51.254 136.422 1.00 21.91 ? ? ? ? ? ? 202 ALA F O 1 +ATOM 11493 C CB . ALA F 1 203 ? 17.655 51.700 139.827 1.00 19.17 ? ? ? ? ? ? 202 ALA F CB 1 +ATOM 11494 N N . TRP F 1 204 ? 18.754 49.682 137.745 1.00 22.12 ? ? ? ? ? ? 203 TRP F N 1 +ATOM 11495 C CA . TRP F 1 204 ? 18.658 48.591 136.770 1.00 20.67 ? ? ? ? ? ? 203 TRP F CA 1 +ATOM 11496 C C . TRP F 1 204 ? 17.652 47.511 137.166 1.00 20.24 ? ? ? ? ? ? 203 TRP F C 1 +ATOM 11497 O O . TRP F 1 204 ? 17.695 47.002 138.302 1.00 18.45 ? ? ? ? ? ? 203 TRP F O 1 +ATOM 11498 C CB . TRP F 1 204 ? 20.032 47.916 136.647 1.00 21.56 ? ? ? ? ? ? 203 TRP F CB 1 +ATOM 11499 C CG . TRP F 1 204 ? 20.042 46.784 135.656 1.00 21.21 ? ? ? ? ? ? 203 TRP F CG 1 +ATOM 11500 C CD1 . TRP F 1 204 ? 20.253 46.884 134.312 1.00 23.50 ? ? ? ? ? ? 203 TRP F CD1 1 +ATOM 11501 C CD2 . TRP F 1 204 ? 19.814 45.402 135.923 1.00 21.13 ? ? ? ? ? ? 203 TRP F CD2 1 +ATOM 11502 N NE1 . TRP F 1 204 ? 20.181 45.644 133.725 1.00 23.91 ? ? ? ? ? ? 203 TRP F NE1 1 +ATOM 11503 C CE2 . TRP F 1 204 ? 19.896 44.717 134.685 1.00 24.88 ? ? ? ? ? ? 203 TRP F CE2 1 +ATOM 11504 C CE3 . TRP F 1 204 ? 19.563 44.665 137.083 1.00 21.07 ? ? ? ? ? ? 203 TRP F CE3 1 +ATOM 11505 C CZ2 . TRP F 1 204 ? 19.750 43.334 134.588 1.00 25.08 ? ? ? ? ? ? 203 TRP F CZ2 1 +ATOM 11506 C CZ3 . TRP F 1 204 ? 19.407 43.293 136.976 1.00 22.12 ? ? ? ? ? ? 203 TRP F CZ3 1 +ATOM 11507 C CH2 . TRP F 1 204 ? 19.516 42.644 135.755 1.00 20.74 ? ? ? ? ? ? 203 TRP F CH2 1 +ATOM 11508 N N . VAL F 1 205 ? 16.761 47.189 136.229 1.00 19.23 ? ? ? ? ? ? 204 VAL F N 1 +ATOM 11509 C CA . VAL F 1 205 ? 15.849 46.062 136.281 1.00 20.41 ? ? ? ? ? ? 204 VAL F CA 1 +ATOM 11510 C C . VAL F 1 205 ? 16.081 45.308 134.963 1.00 21.64 ? ? ? ? ? ? 204 VAL F C 1 +ATOM 11511 O O . VAL F 1 205 ? 16.444 45.936 133.957 1.00 21.48 ? ? ? ? ? ? 204 VAL F O 1 +ATOM 11512 C CB . VAL F 1 205 ? 14.344 46.549 136.429 1.00 21.33 ? ? ? ? ? ? 204 VAL F CB 1 +ATOM 11513 C CG1 . VAL F 1 205 ? 13.293 45.410 136.188 1.00 18.72 ? ? ? ? ? ? 204 VAL F CG1 1 +ATOM 11514 C CG2 . VAL F 1 205 ? 14.141 47.132 137.783 1.00 18.79 ? ? ? ? ? ? 204 VAL F CG2 1 +ATOM 11515 N N . PRO F 1 206 ? 15.937 43.966 134.962 1.00 21.59 ? ? ? ? ? ? 205 PRO F N 1 +ATOM 11516 C CA . PRO F 1 206 ? 16.011 43.284 133.675 1.00 22.31 ? ? ? ? ? ? 205 PRO F CA 1 +ATOM 11517 C C . PRO F 1 206 ? 14.781 43.569 132.793 1.00 22.78 ? ? ? ? ? ? 205 PRO F C 1 +ATOM 11518 O O . PRO F 1 206 ? 13.646 43.675 133.273 1.00 23.41 ? ? ? ? ? ? 205 PRO F O 1 +ATOM 11519 C CB . PRO F 1 206 ? 16.081 41.797 134.063 1.00 21.29 ? ? ? ? ? ? 205 PRO F CB 1 +ATOM 11520 C CG . PRO F 1 206 ? 15.399 41.720 135.396 1.00 21.21 ? ? ? ? ? ? 205 PRO F CG 1 +ATOM 11521 C CD . PRO F 1 206 ? 15.715 43.024 136.081 1.00 23.25 ? ? ? ? ? ? 205 PRO F CD 1 +ATOM 11522 N N . ARG F 1 207 ? 15.026 43.735 131.504 1.00 24.03 ? ? ? ? ? ? 206 ARG F N 1 +ATOM 11523 C CA . ARG F 1 207 ? 13.968 43.781 130.507 1.00 25.26 ? ? ? ? ? ? 206 ARG F CA 1 +ATOM 11524 C C . ARG F 1 207 ? 13.153 42.489 130.587 1.00 22.75 ? ? ? ? ? ? 206 ARG F C 1 +ATOM 11525 O O . ARG F 1 207 ? 13.716 41.396 130.676 1.00 21.40 ? ? ? ? ? ? 206 ARG F O 1 +ATOM 11526 C CB . ARG F 1 207 ? 14.628 43.892 129.118 1.00 26.59 ? ? ? ? ? ? 206 ARG F CB 1 +ATOM 11527 C CG . ARG F 1 207 ? 13.669 43.948 127.933 1.00 30.41 ? ? ? ? ? ? 206 ARG F CG 1 +ATOM 11528 C CD . ARG F 1 207 ? 14.388 43.862 126.562 1.00 32.66 ? ? ? ? ? ? 206 ARG F CD 1 +ATOM 11529 N NE . ARG F 1 207 ? 15.410 44.897 126.319 1.00 38.93 ? ? ? ? ? ? 206 ARG F NE 1 +ATOM 11530 C CZ . ARG F 1 207 ? 15.178 46.123 125.831 1.00 46.67 ? ? ? ? ? ? 206 ARG F CZ 1 +ATOM 11531 N NH1 . ARG F 1 207 ? 13.945 46.559 125.552 1.00 45.40 ? ? ? ? ? ? 206 ARG F NH1 1 +ATOM 11532 N NH2 . ARG F 1 207 ? 16.201 46.947 125.635 1.00 47.25 ? ? ? ? ? ? 206 ARG F NH2 1 +ATOM 11533 N N . HIS F 1 208 ? 11.825 42.615 130.545 1.00 22.62 ? ? ? ? ? ? 207 HIS F N 1 +ATOM 11534 C CA . HIS F 1 208 ? 10.949 41.459 130.410 1.00 22.51 ? ? ? ? ? ? 207 HIS F CA 1 +ATOM 11535 C C . HIS F 1 208 ? 10.669 41.222 128.929 1.00 24.08 ? ? ? ? ? ? 207 HIS F C 1 +ATOM 11536 O O . HIS F 1 208 ? 10.058 42.059 128.258 1.00 23.78 ? ? ? ? ? ? 207 HIS F O 1 +ATOM 11537 C CB . HIS F 1 208 ? 9.668 41.669 131.196 1.00 22.78 ? ? ? ? ? ? 207 HIS F CB 1 +ATOM 11538 C CG . HIS F 1 208 ? 9.884 41.728 132.675 1.00 21.69 ? ? ? ? ? ? 207 HIS F CG 1 +ATOM 11539 N ND1 . HIS F 1 208 ? 8.960 41.261 133.579 1.00 24.64 ? ? ? ? ? ? 207 HIS F ND1 1 +ATOM 11540 C CD2 . HIS F 1 208 ? 10.939 42.164 133.407 1.00 23.13 ? ? ? ? ? ? 207 HIS F CD2 1 +ATOM 11541 C CE1 . HIS F 1 208 ? 9.437 41.406 134.808 1.00 26.51 ? ? ? ? ? ? 207 HIS F CE1 1 +ATOM 11542 N NE2 . HIS F 1 208 ? 10.634 41.959 134.731 1.00 22.60 ? ? ? ? ? ? 207 HIS F NE2 1 +ATOM 11543 N N . TRP F 1 209 ? 11.153 40.092 128.423 1.00 23.98 ? ? ? ? ? ? 208 TRP F N 1 +ATOM 11544 C CA . TRP F 1 209 ? 11.105 39.786 127.003 1.00 24.20 ? ? ? ? ? ? 208 TRP F CA 1 +ATOM 11545 C C . TRP F 1 209 ? 9.675 39.672 126.488 1.00 25.59 ? ? ? ? ? ? 208 TRP F C 1 +ATOM 11546 O O . TRP F 1 209 ? 9.366 40.130 125.384 1.00 25.22 ? ? ? ? ? ? 208 TRP F O 1 +ATOM 11547 C CB . TRP F 1 209 ? 11.896 38.515 126.705 1.00 24.19 ? ? ? ? ? ? 208 TRP F CB 1 +ATOM 11548 C CG . TRP F 1 209 ? 13.024 38.771 125.804 1.00 24.91 ? ? ? ? ? ? 208 TRP F CG 1 +ATOM 11549 C CD1 . TRP F 1 209 ? 13.085 38.456 124.485 1.00 24.55 ? ? ? ? ? ? 208 TRP F CD1 1 +ATOM 11550 C CD2 . TRP F 1 209 ? 14.245 39.430 126.115 1.00 24.27 ? ? ? ? ? ? 208 TRP F CD2 1 +ATOM 11551 N NE1 . TRP F 1 209 ? 14.277 38.844 123.954 1.00 23.63 ? ? ? ? ? ? 208 TRP F NE1 1 +ATOM 11552 C CE2 . TRP F 1 209 ? 15.007 39.473 124.919 1.00 26.95 ? ? ? ? ? ? 208 TRP F CE2 1 +ATOM 11553 C CE3 . TRP F 1 209 ? 14.770 40.001 127.271 1.00 26.60 ? ? ? ? ? ? 208 TRP F CE3 1 +ATOM 11554 C CZ2 . TRP F 1 209 ? 16.267 40.045 124.849 1.00 23.72 ? ? ? ? ? ? 208 TRP F CZ2 1 +ATOM 11555 C CZ3 . TRP F 1 209 ? 16.033 40.578 127.207 1.00 27.54 ? ? ? ? ? ? 208 TRP F CZ3 1 +ATOM 11556 C CH2 . TRP F 1 209 ? 16.769 40.592 125.998 1.00 29.20 ? ? ? ? ? ? 208 TRP F CH2 1 +ATOM 11557 N N . ASP F 1 210 ? 8.800 39.110 127.328 1.00 25.92 ? ? ? ? ? ? 209 ASP F N 1 +ATOM 11558 C CA . ASP F 1 210 ? 7.373 38.968 126.991 1.00 28.26 ? ? ? ? ? ? 209 ASP F CA 1 +ATOM 11559 C C . ASP F 1 210 ? 6.634 40.301 126.821 1.00 29.16 ? ? ? ? ? ? 209 ASP F C 1 +ATOM 11560 O O . ASP F 1 210 ? 5.725 40.414 126.007 1.00 29.51 ? ? ? ? ? ? 209 ASP F O 1 +ATOM 11561 C CB . ASP F 1 210 ? 6.651 38.080 128.009 1.00 28.29 ? ? ? ? ? ? 209 ASP F CB 1 +ATOM 11562 C CG . ASP F 1 210 ? 6.651 38.662 129.403 1.00 29.75 ? ? ? ? ? ? 209 ASP F CG 1 +ATOM 11563 O OD1 . ASP F 1 210 ? 7.738 39.011 129.898 1.00 27.62 ? ? ? ? ? ? 209 ASP F OD1 1 +ATOM 11564 O OD2 . ASP F 1 210 ? 5.546 38.767 129.987 1.00 35.32 ? ? ? ? ? ? 209 ASP F OD2 1 +ATOM 11565 N N . LYS F 1 211 ? 7.050 41.315 127.562 1.00 29.64 ? ? ? ? ? ? 210 LYS F N 1 +ATOM 11566 C CA . LYS F 1 211 ? 6.421 42.624 127.484 1.00 29.78 ? ? ? ? ? ? 210 LYS F CA 1 +ATOM 11567 C C . LYS F 1 211 ? 7.116 43.516 126.477 1.00 29.93 ? ? ? ? ? ? 210 LYS F C 1 +ATOM 11568 O O . LYS F 1 211 ? 6.468 44.347 125.859 1.00 31.45 ? ? ? ? ? ? 210 LYS F O 1 +ATOM 11569 C CB . LYS F 1 211 ? 6.465 43.314 128.840 1.00 29.80 ? ? ? ? ? ? 210 LYS F CB 1 +ATOM 11570 C CG . LYS F 1 211 ? 5.907 42.495 129.977 1.00 33.26 ? ? ? ? ? ? 210 LYS F CG 1 +ATOM 11571 C CD . LYS F 1 211 ? 4.425 42.275 129.881 1.00 40.47 ? ? ? ? ? ? 210 LYS F CD 1 +ATOM 11572 C CE . LYS F 1 211 ? 3.929 41.518 131.117 1.00 46.39 ? ? ? ? ? ? 210 LYS F CE 1 +ATOM 11573 N NZ . LYS F 1 211 ? 4.644 41.940 132.380 1.00 51.35 ? ? ? ? ? ? 210 LYS F NZ 1 +ATOM 11574 N N . ALA F 1 212 ? 8.435 43.346 126.338 1.00 29.32 ? ? ? ? ? ? 211 ALA F N 1 +ATOM 11575 C CA . ALA F 1 212 ? 9.311 44.299 125.636 1.00 29.33 ? ? ? ? ? ? 211 ALA F CA 1 +ATOM 11576 C C . ALA F 1 212 ? 9.556 43.996 124.163 1.00 30.42 ? ? ? ? ? ? 211 ALA F C 1 +ATOM 11577 O O . ALA F 1 212 ? 10.023 44.880 123.464 1.00 32.25 ? ? ? ? ? ? 211 ALA F O 1 +ATOM 11578 C CB . ALA F 1 212 ? 10.711 44.402 126.341 1.00 28.47 ? ? ? ? ? ? 211 ALA F CB 1 +ATOM 11579 N N . THR F 1 213 ? 9.313 42.757 123.713 1.00 30.65 ? ? ? ? ? ? 212 THR F N 1 +ATOM 11580 C CA A THR F 1 213 ? 9.701 42.290 122.377 0.50 30.28 ? ? ? ? ? ? 212 THR F CA 1 +ATOM 11581 C CA B THR F 1 213 ? 9.597 42.418 122.317 0.50 31.89 ? ? ? ? ? ? 212 THR F CA 1 +ATOM 11582 C C . THR F 1 213 ? 8.610 41.434 121.711 1.00 32.52 ? ? ? ? ? ? 212 THR F C 1 +ATOM 11583 O O . THR F 1 213 ? 7.895 40.692 122.399 1.00 35.37 ? ? ? ? ? ? 212 THR F O 1 +ATOM 11584 C CB A THR F 1 213 ? 10.963 41.391 122.456 0.50 29.43 ? ? ? ? ? ? 212 THR F CB 1 +ATOM 11585 C CB B THR F 1 213 ? 11.074 41.958 122.081 0.50 32.10 ? ? ? ? ? ? 212 THR F CB 1 +ATOM 11586 O OG1 A THR F 1 213 ? 10.573 40.073 122.856 0.50 27.21 ? ? ? ? ? ? 212 THR F OG1 1 +ATOM 11587 O OG1 B THR F 1 213 ? 11.279 41.681 120.679 0.50 30.88 ? ? ? ? ? ? 212 THR F OG1 1 +ATOM 11588 C CG2 A THR F 1 213 ? 12.000 41.941 123.444 0.50 19.44 ? ? ? ? ? ? 212 THR F CG2 1 +ATOM 11589 C CG2 B THR F 1 213 ? 11.411 40.742 122.912 0.50 30.79 ? ? ? ? ? ? 212 THR F CG2 1 +ATOM 11590 N N . VAL F 1 214 ? 8.555 41.475 120.385 1.00 32.88 ? ? ? ? ? ? 213 VAL F N 1 +ATOM 11591 C CA . VAL F 1 214 ? 7.545 40.779 119.606 1.00 33.30 ? ? ? ? ? ? 213 VAL F CA 1 +ATOM 11592 C C . VAL F 1 214 ? 8.128 39.497 118.999 1.00 31.58 ? ? ? ? ? ? 213 VAL F C 1 +ATOM 11593 O O . VAL F 1 214 ? 7.506 38.424 119.051 1.00 32.00 ? ? ? ? ? ? 213 VAL F O 1 +ATOM 11594 C CB . VAL F 1 214 ? 7.043 41.705 118.479 1.00 35.19 ? ? ? ? ? ? 213 VAL F CB 1 +ATOM 11595 C CG1 . VAL F 1 214 ? 5.820 41.113 117.806 1.00 38.17 ? ? ? ? ? ? 213 VAL F CG1 1 +ATOM 11596 C CG2 . VAL F 1 214 ? 6.737 43.137 119.042 1.00 37.94 ? ? ? ? ? ? 213 VAL F CG2 1 +ATOM 11597 N N . ASP F 1 215 ? 9.325 39.612 118.441 1.00 28.81 ? ? ? ? ? ? 214 ASP F N 1 +ATOM 11598 C CA . ASP F 1 215 ? 9.978 38.475 117.765 1.00 29.09 ? ? ? ? ? ? 214 ASP F CA 1 +ATOM 11599 C C . ASP F 1 215 ? 11.220 37.953 118.499 1.00 27.26 ? ? ? ? ? ? 214 ASP F C 1 +ATOM 11600 O O . ASP F 1 215 ? 11.917 37.105 117.969 1.00 25.93 ? ? ? ? ? ? 214 ASP F O 1 +ATOM 11601 C CB . ASP F 1 215 ? 10.315 38.854 116.316 1.00 27.79 ? ? ? ? ? ? 214 ASP F CB 1 +ATOM 11602 C CG . ASP F 1 215 ? 11.057 40.170 116.215 1.00 30.88 ? ? ? ? ? ? 214 ASP F CG 1 +ATOM 11603 O OD1 . ASP F 1 215 ? 11.938 40.405 117.047 1.00 27.26 ? ? ? ? ? ? 214 ASP F OD1 1 +ATOM 11604 O OD2 . ASP F 1 215 ? 10.746 40.972 115.314 1.00 35.47 ? ? ? ? ? ? 214 ASP F OD2 1 +ATOM 11605 N N . SER F 1 216 ? 11.460 38.472 119.714 1.00 26.03 ? ? ? ? ? ? 215 SER F N 1 +ATOM 11606 C CA . SER F 1 216 ? 12.598 38.123 120.592 1.00 25.72 ? ? ? ? ? ? 215 SER F CA 1 +ATOM 11607 C C . SER F 1 216 ? 13.861 38.932 120.274 1.00 25.27 ? ? ? ? ? ? 215 SER F C 1 +ATOM 11608 O O . SER F 1 216 ? 14.817 38.895 121.021 1.00 26.91 ? ? ? ? ? ? 215 SER F O 1 +ATOM 11609 C CB . SER F 1 216 ? 12.895 36.602 120.602 1.00 25.56 ? ? ? ? ? ? 215 SER F CB 1 +ATOM 11610 O OG . SER F 1 216 ? 13.755 36.210 119.551 1.00 24.41 ? ? ? ? ? ? 215 SER F OG 1 +ATOM 11611 N N . GLY F 1 217 ? 13.853 39.683 119.180 1.00 23.83 ? ? ? ? ? ? 216 GLY F N 1 +ATOM 11612 C CA . GLY F 1 217 ? 14.945 40.604 118.878 1.00 22.69 ? ? ? ? ? ? 216 GLY F CA 1 +ATOM 11613 C C . GLY F 1 217 ? 14.733 41.955 119.532 1.00 22.56 ? ? ? ? ? ? 216 GLY F C 1 +ATOM 11614 O O . GLY F 1 217 ? 13.597 42.370 119.795 1.00 22.34 ? ? ? ? ? ? 216 GLY F O 1 +ATOM 11615 N N . VAL F 1 218 ? 15.836 42.635 119.812 1.00 23.57 ? ? ? ? ? ? 217 VAL F N 1 +ATOM 11616 C CA . VAL F 1 218 ? 15.825 44.041 120.245 1.00 23.99 ? ? ? ? ? ? 217 VAL F CA 1 +ATOM 11617 C C . VAL F 1 218 ? 16.722 44.833 119.287 1.00 24.41 ? ? ? ? ? ? 217 VAL F C 1 +ATOM 11618 O O . VAL F 1 218 ? 17.922 44.894 119.475 1.00 23.50 ? ? ? ? ? ? 217 VAL F O 1 +ATOM 11619 C CB . VAL F 1 218 ? 16.364 44.230 121.713 1.00 23.94 ? ? ? ? ? ? 217 VAL F CB 1 +ATOM 11620 C CG1 . VAL F 1 218 ? 16.302 45.713 122.133 1.00 24.35 ? ? ? ? ? ? 217 VAL F CG1 1 +ATOM 11621 C CG2 . VAL F 1 218 ? 15.603 43.383 122.703 1.00 23.18 ? ? ? ? ? ? 217 VAL F CG2 1 +ATOM 11622 N N . GLY F 1 219 ? 16.112 45.446 118.266 1.00 25.27 ? ? ? ? ? ? 218 GLY F N 1 +ATOM 11623 C CA . GLY F 1 219 ? 16.841 46.157 117.218 1.00 25.56 ? ? ? ? ? ? 218 GLY F CA 1 +ATOM 11624 C C . GLY F 1 219 ? 16.509 45.591 115.843 1.00 26.64 ? ? ? ? ? ? 218 GLY F C 1 +ATOM 11625 O O . GLY F 1 219 ? 16.418 44.358 115.677 1.00 26.14 ? ? ? ? ? ? 218 GLY F O 1 +ATOM 11626 N N . ASN F 1 220 ? 16.323 46.497 114.865 1.00 27.09 ? ? ? ? ? ? 219 ASN F N 1 +ATOM 11627 C CA . ASN F 1 220 ? 16.093 46.139 113.457 1.00 26.40 ? ? ? ? ? ? 219 ASN F CA 1 +ATOM 11628 C C . ASN F 1 220 ? 17.411 45.724 112.799 1.00 24.44 ? ? ? ? ? ? 219 ASN F C 1 +ATOM 11629 O O . ASN F 1 220 ? 18.334 46.532 112.709 1.00 25.17 ? ? ? ? ? ? 219 ASN F O 1 +ATOM 11630 C CB . ASN F 1 220 ? 15.447 47.311 112.688 1.00 26.93 ? ? ? ? ? ? 219 ASN F CB 1 +ATOM 11631 C CG . ASN F 1 220 ? 14.845 46.882 111.363 1.00 29.72 ? ? ? ? ? ? 219 ASN F CG 1 +ATOM 11632 O OD1 . ASN F 1 220 ? 15.329 45.948 110.726 1.00 28.11 ? ? ? ? ? ? 219 ASN F OD1 1 +ATOM 11633 N ND2 . ASN F 1 220 ? 13.749 47.534 110.964 1.00 23.74 ? ? ? ? ? ? 219 ASN F ND2 1 +ATOM 11634 N N . PRO F 1 221 ? 17.516 44.441 112.358 1.00 23.44 ? ? ? ? ? ? 220 PRO F N 1 +ATOM 11635 C CA . PRO F 1 221 ? 18.718 43.885 111.767 1.00 24.80 ? ? ? ? ? ? 220 PRO F CA 1 +ATOM 11636 C C . PRO F 1 221 ? 18.761 43.961 110.246 1.00 25.77 ? ? ? ? ? ? 220 PRO F C 1 +ATOM 11637 O O . PRO F 1 221 ? 19.682 43.424 109.641 1.00 24.44 ? ? ? ? ? ? 220 PRO F O 1 +ATOM 11638 C CB . PRO F 1 221 ? 18.596 42.420 112.155 1.00 24.47 ? ? ? ? ? ? 220 PRO F CB 1 +ATOM 11639 C CG . PRO F 1 221 ? 17.172 42.166 112.051 1.00 18.48 ? ? ? ? ? ? 220 PRO F CG 1 +ATOM 11640 C CD . PRO F 1 221 ? 16.472 43.415 112.420 1.00 23.23 ? ? ? ? ? ? 220 PRO F CD 1 +ATOM 11641 N N . LYS F 1 222 ? 17.768 44.591 109.641 1.00 26.83 ? ? ? ? ? ? 221 LYS F N 1 +ATOM 11642 C CA . LYS F 1 222 ? 17.563 44.471 108.209 1.00 27.92 ? ? ? ? ? ? 221 LYS F CA 1 +ATOM 11643 C C . LYS F 1 222 ? 18.554 45.199 107.256 1.00 27.12 ? ? ? ? ? ? 221 LYS F C 1 +ATOM 11644 O O . LYS F 1 222 ? 18.615 44.849 106.102 1.00 27.29 ? ? ? ? ? ? 221 LYS F O 1 +ATOM 11645 C CB . LYS F 1 222 ? 16.079 44.719 107.868 1.00 27.44 ? ? ? ? ? ? 221 LYS F CB 1 +ATOM 11646 C CG . LYS F 1 222 ? 15.191 43.584 108.448 1.00 26.33 ? ? ? ? ? ? 221 LYS F CG 1 +ATOM 11647 C CD . LYS F 1 222 ? 13.721 43.686 108.058 1.00 30.56 ? ? ? ? ? ? 221 LYS F CD 1 +ATOM 11648 C CE . LYS F 1 222 ? 12.862 42.771 108.928 1.00 27.00 ? ? ? ? ? ? 221 LYS F CE 1 +ATOM 11649 N NZ . LYS F 1 222 ? 11.369 42.749 108.590 1.00 20.57 ? ? ? ? ? ? 221 LYS F NZ 1 +ATOM 11650 N N . LYS F 1 223 ? 19.383 46.113 107.755 1.00 26.82 ? ? ? ? ? ? 222 LYS F N 1 +ATOM 11651 C CA . LYS F 1 223 ? 20.483 46.675 106.964 1.00 26.64 ? ? ? ? ? ? 222 LYS F CA 1 +ATOM 11652 C C . LYS F 1 223 ? 21.807 45.958 107.198 1.00 25.34 ? ? ? ? ? ? 222 LYS F C 1 +ATOM 11653 O O . LYS F 1 223 ? 22.855 46.405 106.693 1.00 24.46 ? ? ? ? ? ? 222 LYS F O 1 +ATOM 11654 C CB . LYS F 1 223 ? 20.626 48.177 107.237 1.00 27.67 ? ? ? ? ? ? 222 LYS F CB 1 +ATOM 11655 C CG . LYS F 1 223 ? 19.293 48.918 107.150 1.00 30.57 ? ? ? ? ? ? 222 LYS F CG 1 +ATOM 11656 C CD . LYS F 1 223 ? 19.438 50.423 107.270 1.00 38.82 ? ? ? ? ? ? 222 LYS F CD 1 +ATOM 11657 C CE . LYS F 1 223 ? 18.102 51.101 106.941 1.00 47.96 ? ? ? ? ? ? 222 LYS F CE 1 +ATOM 11658 N NZ . LYS F 1 223 ? 18.170 52.597 107.009 1.00 52.60 ? ? ? ? ? ? 222 LYS F NZ 1 +ATOM 11659 N N . ALA F 1 224 ? 21.753 44.841 107.934 1.00 23.94 ? ? ? ? ? ? 223 ALA F N 1 +ATOM 11660 C CA . ALA F 1 224 ? 22.898 43.959 108.152 1.00 22.69 ? ? ? ? ? ? 223 ALA F CA 1 +ATOM 11661 C C . ALA F 1 224 ? 23.537 43.460 106.821 1.00 22.81 ? ? ? ? ? ? 223 ALA F C 1 +ATOM 11662 O O . ALA F 1 224 ? 22.817 43.141 105.869 1.00 22.52 ? ? ? ? ? ? 223 ALA F O 1 +ATOM 11663 C CB . ALA F 1 224 ? 22.445 42.744 109.033 1.00 19.10 ? ? ? ? ? ? 223 ALA F CB 1 +ATOM 11664 N N . THR F 1 225 ? 24.870 43.428 106.745 1.00 22.09 ? ? ? ? ? ? 224 THR F N 1 +ATOM 11665 C CA . THR F 1 225 ? 25.571 42.831 105.616 1.00 21.79 ? ? ? ? ? ? 224 THR F CA 1 +ATOM 11666 C C . THR F 1 225 ? 26.828 42.113 106.121 1.00 22.14 ? ? ? ? ? ? 224 THR F C 1 +ATOM 11667 O O . THR F 1 225 ? 27.353 42.470 107.160 1.00 21.43 ? ? ? ? ? ? 224 THR F O 1 +ATOM 11668 C CB . THR F 1 225 ? 25.996 43.909 104.551 1.00 23.64 ? ? ? ? ? ? 224 THR F CB 1 +ATOM 11669 O OG1 . THR F 1 225 ? 27.080 44.705 105.044 1.00 18.05 ? ? ? ? ? ? 224 THR F OG1 1 +ATOM 11670 C CG2 . THR F 1 225 ? 24.854 44.823 104.181 1.00 20.34 ? ? ? ? ? ? 224 THR F CG2 1 +ATOM 11671 N N . ALA F 1 226 ? 27.309 41.113 105.374 1.00 21.64 ? ? ? ? ? ? 225 ALA F N 1 +ATOM 11672 C CA . ALA F 1 226 ? 28.558 40.430 105.667 1.00 21.48 ? ? ? ? ? ? 225 ALA F CA 1 +ATOM 11673 C C . ALA F 1 226 ? 29.750 41.392 105.757 1.00 23.96 ? ? ? ? ? ? 225 ALA F C 1 +ATOM 11674 O O . ALA F 1 226 ? 30.635 41.251 106.600 1.00 24.09 ? ? ? ? ? ? 225 ALA F O 1 +ATOM 11675 C CB . ALA F 1 226 ? 28.844 39.339 104.585 1.00 19.03 ? ? ? ? ? ? 225 ALA F CB 1 +ATOM 11676 N N . GLU F 1 227 ? 29.785 42.373 104.870 1.00 25.91 ? ? ? ? ? ? 226 GLU F N 1 +ATOM 11677 C CA . GLU F 1 227 ? 30.868 43.345 104.866 1.00 24.44 ? ? ? ? ? ? 226 GLU F CA 1 +ATOM 11678 C C . GLU F 1 227 ? 30.895 44.248 106.076 1.00 23.93 ? ? ? ? ? ? 226 GLU F C 1 +ATOM 11679 O O . GLU F 1 227 ? 31.953 44.549 106.591 1.00 23.14 ? ? ? ? ? ? 226 GLU F O 1 +ATOM 11680 C CB . GLU F 1 227 ? 30.773 44.239 103.624 1.00 26.64 ? ? ? ? ? ? 226 GLU F CB 1 +ATOM 11681 C CG . GLU F 1 227 ? 31.923 45.222 103.544 1.00 29.46 ? ? ? ? ? ? 226 GLU F CG 1 +ATOM 11682 C CD . GLU F 1 227 ? 31.933 46.000 102.266 1.00 39.31 ? ? ? ? ? ? 226 GLU F CD 1 +ATOM 11683 O OE1 . GLU F 1 227 ? 32.110 45.385 101.186 1.00 41.79 ? ? ? ? ? ? 226 GLU F OE1 1 +ATOM 11684 O OE2 . GLU F 1 227 ? 31.761 47.236 102.353 1.00 48.47 ? ? ? ? ? ? 226 GLU F OE2 1 +ATOM 11685 N N . LYS F 1 228 ? 29.740 44.729 106.510 1.00 22.97 ? ? ? ? ? ? 227 LYS F N 1 +ATOM 11686 C CA . LYS F 1 228 ? 29.722 45.463 107.774 1.00 23.80 ? ? ? ? ? ? 227 LYS F CA 1 +ATOM 11687 C C . LYS F 1 228 ? 30.308 44.625 108.920 1.00 23.05 ? ? ? ? ? ? 227 LYS F C 1 +ATOM 11688 O O . LYS F 1 228 ? 31.048 45.137 109.732 1.00 23.76 ? ? ? ? ? ? 227 LYS F O 1 +ATOM 11689 C CB . LYS F 1 228 ? 28.322 45.924 108.136 1.00 23.69 ? ? ? ? ? ? 227 LYS F CB 1 +ATOM 11690 C CG . LYS F 1 228 ? 27.762 47.058 107.298 1.00 22.04 ? ? ? ? ? ? 227 LYS F CG 1 +ATOM 11691 C CD . LYS F 1 228 ? 26.350 47.329 107.734 1.00 23.58 ? ? ? ? ? ? 227 LYS F CD 1 +ATOM 11692 C CE . LYS F 1 228 ? 25.782 48.542 107.111 1.00 25.44 ? ? ? ? ? ? 227 LYS F CE 1 +ATOM 11693 N NZ . LYS F 1 228 ? 24.298 48.699 107.348 1.00 22.65 ? ? ? ? ? ? 227 LYS F NZ 1 +ATOM 11694 N N . GLY F 1 229 ? 29.989 43.339 108.958 1.00 23.36 ? ? ? ? ? ? 228 GLY F N 1 +ATOM 11695 C CA . GLY F 1 229 ? 30.456 42.428 110.016 1.00 22.91 ? ? ? ? ? ? 228 GLY F CA 1 +ATOM 11696 C C . GLY F 1 229 ? 31.954 42.216 109.939 1.00 23.59 ? ? ? ? ? ? 228 GLY F C 1 +ATOM 11697 O O . GLY F 1 229 ? 32.661 42.247 110.948 1.00 23.38 ? ? ? ? ? ? 228 GLY F O 1 +ATOM 11698 N N . GLU F 1 230 ? 32.435 42.031 108.710 1.00 25.02 ? ? ? ? ? ? 229 GLU F N 1 +ATOM 11699 C CA . GLU F 1 230 ? 33.868 41.839 108.446 1.00 26.71 ? ? ? ? ? ? 229 GLU F CA 1 +ATOM 11700 C C . GLU F 1 230 ? 34.691 43.000 108.934 1.00 25.43 ? ? ? ? ? ? 229 GLU F C 1 +ATOM 11701 O O . GLU F 1 230 ? 35.770 42.801 109.522 1.00 25.17 ? ? ? ? ? ? 229 GLU F O 1 +ATOM 11702 C CB . GLU F 1 230 ? 34.107 41.641 106.955 1.00 24.43 ? ? ? ? ? ? 229 GLU F CB 1 +ATOM 11703 C CG . GLU F 1 230 ? 35.562 41.520 106.574 1.00 30.79 ? ? ? ? ? ? 229 GLU F CG 1 +ATOM 11704 C CD . GLU F 1 230 ? 35.735 41.275 105.076 1.00 36.72 ? ? ? ? ? ? 229 GLU F CD 1 +ATOM 11705 O OE1 . GLU F 1 230 ? 35.019 41.917 104.259 1.00 46.01 ? ? ? ? ? ? 229 GLU F OE1 1 +ATOM 11706 O OE2 . GLU F 1 230 ? 36.574 40.417 104.725 1.00 50.94 ? ? ? ? ? ? 229 GLU F OE2 1 +ATOM 11707 N N . ARG F 1 231 ? 34.203 44.213 108.683 1.00 25.08 ? ? ? ? ? ? 230 ARG F N 1 +ATOM 11708 C CA . ARG F 1 231 ? 34.943 45.413 109.065 1.00 26.52 ? ? ? ? ? ? 230 ARG F CA 1 +ATOM 11709 C C . ARG F 1 231 ? 34.987 45.688 110.575 1.00 25.01 ? ? ? ? ? ? 230 ARG F C 1 +ATOM 11710 O O . ARG F 1 231 ? 36.007 46.124 111.104 1.00 25.61 ? ? ? ? ? ? 230 ARG F O 1 +ATOM 11711 C CB . ARG F 1 231 ? 34.384 46.622 108.312 1.00 29.21 ? ? ? ? ? ? 230 ARG F CB 1 +ATOM 11712 C CG . ARG F 1 231 ? 34.572 46.433 106.840 1.00 33.57 ? ? ? ? ? ? 230 ARG F CG 1 +ATOM 11713 C CD . ARG F 1 231 ? 34.336 47.664 106.058 1.00 43.26 ? ? ? ? ? ? 230 ARG F CD 1 +ATOM 11714 N NE . ARG F 1 231 ? 34.688 47.416 104.666 1.00 47.60 ? ? ? ? ? ? 230 ARG F NE 1 +ATOM 11715 C CZ . ARG F 1 231 ? 34.497 48.279 103.672 1.00 51.22 ? ? ? ? ? ? 230 ARG F CZ 1 +ATOM 11716 N NH1 . ARG F 1 231 ? 33.963 49.487 103.896 1.00 40.86 ? ? ? ? ? ? 230 ARG F NH1 1 +ATOM 11717 N NH2 . ARG F 1 231 ? 34.849 47.926 102.441 1.00 53.10 ? ? ? ? ? ? 230 ARG F NH2 1 +ATOM 11718 N N . TYR F 1 232 ? 33.870 45.457 111.238 1.00 23.21 ? ? ? ? ? ? 231 TYR F N 1 +ATOM 11719 C CA . TYR F 1 232 ? 33.776 45.549 112.679 1.00 22.50 ? ? ? ? ? ? 231 TYR F CA 1 +ATOM 11720 C C . TYR F 1 232 ? 34.674 44.551 113.386 1.00 22.22 ? ? ? ? ? ? 231 TYR F C 1 +ATOM 11721 O O . TYR F 1 232 ? 35.277 44.902 114.393 1.00 24.36 ? ? ? ? ? ? 231 TYR F O 1 +ATOM 11722 C CB . TYR F 1 232 ? 32.328 45.351 113.112 1.00 22.78 ? ? ? ? ? ? 231 TYR F CB 1 +ATOM 11723 C CG . TYR F 1 232 ? 32.005 45.521 114.590 1.00 25.00 ? ? ? ? ? ? 231 TYR F CG 1 +ATOM 11724 C CD1 . TYR F 1 232 ? 32.496 46.606 115.340 1.00 20.85 ? ? ? ? ? ? 231 TYR F CD1 1 +ATOM 11725 C CD2 . TYR F 1 232 ? 31.153 44.626 115.224 1.00 22.96 ? ? ? ? ? ? 231 TYR F CD2 1 +ATOM 11726 C CE1 . TYR F 1 232 ? 32.166 46.760 116.666 1.00 22.48 ? ? ? ? ? ? 231 TYR F CE1 1 +ATOM 11727 C CE2 . TYR F 1 232 ? 30.811 44.788 116.550 1.00 23.41 ? ? ? ? ? ? 231 TYR F CE2 1 +ATOM 11728 C CZ . TYR F 1 232 ? 31.329 45.838 117.270 1.00 22.29 ? ? ? ? ? ? 231 TYR F CZ 1 +ATOM 11729 O OH . TYR F 1 232 ? 30.990 45.947 118.591 1.00 24.25 ? ? ? ? ? ? 231 TYR F OH 1 +ATOM 11730 N N . VAL F 1 233 ? 34.765 43.305 112.913 1.00 22.89 ? ? ? ? ? ? 232 VAL F N 1 +ATOM 11731 C CA . VAL F 1 233 ? 35.539 42.306 113.671 1.00 22.15 ? ? ? ? ? ? 232 VAL F CA 1 +ATOM 11732 C C . VAL F 1 233 ? 37.015 42.507 113.516 1.00 23.39 ? ? ? ? ? ? 232 VAL F C 1 +ATOM 11733 O O . VAL F 1 233 ? 37.770 42.143 114.421 1.00 23.53 ? ? ? ? ? ? 232 VAL F O 1 +ATOM 11734 C CB . VAL F 1 233 ? 35.130 40.802 113.406 1.00 24.61 ? ? ? ? ? ? 232 VAL F CB 1 +ATOM 11735 C CG1 . VAL F 1 233 ? 33.630 40.584 113.723 1.00 21.17 ? ? ? ? ? ? 232 VAL F CG1 1 +ATOM 11736 C CG2 . VAL F 1 233 ? 35.510 40.314 112.003 1.00 22.30 ? ? ? ? ? ? 232 VAL F CG2 1 +ATOM 11737 N N . LYS F 1 234 ? 37.451 43.125 112.415 1.00 23.41 ? ? ? ? ? ? 233 LYS F N 1 +ATOM 11738 C CA . LYS F 1 234 ? 38.889 43.372 112.222 1.00 26.12 ? ? ? ? ? ? 233 LYS F CA 1 +ATOM 11739 C C . LYS F 1 234 ? 39.563 44.033 113.430 1.00 22.66 ? ? ? ? ? ? 233 LYS F C 1 +ATOM 11740 O O . LYS F 1 234 ? 40.512 43.470 113.984 1.00 23.86 ? ? ? ? ? ? 233 LYS F O 1 +ATOM 11741 C CB . LYS F 1 234 ? 39.190 44.146 110.920 1.00 24.86 ? ? ? ? ? ? 233 LYS F CB 1 +ATOM 11742 C CG . LYS F 1 234 ? 40.625 43.919 110.430 1.00 31.20 ? ? ? ? ? ? 233 LYS F CG 1 +ATOM 11743 C CD . LYS F 1 234 ? 41.050 44.953 109.350 1.00 35.96 ? ? ? ? ? ? 233 LYS F CD 1 +ATOM 11744 C CE . LYS F 1 234 ? 42.526 44.758 108.959 1.00 40.59 ? ? ? ? ? ? 233 LYS F CE 1 +ATOM 11745 N NZ . LYS F 1 234 ? 42.943 45.654 107.844 1.00 51.19 ? ? ? ? ? ? 233 LYS F NZ 1 +ATOM 11746 N N . PRO F 1 235 ? 39.077 45.216 113.865 1.00 21.85 ? ? ? ? ? ? 234 PRO F N 1 +ATOM 11747 C CA . PRO F 1 235 ? 39.680 45.809 115.071 1.00 22.26 ? ? ? ? ? ? 234 PRO F CA 1 +ATOM 11748 C C . PRO F 1 235 ? 39.510 45.006 116.389 1.00 21.33 ? ? ? ? ? ? 234 PRO F C 1 +ATOM 11749 O O . PRO F 1 235 ? 40.408 45.034 117.262 1.00 20.97 ? ? ? ? ? ? 234 PRO F O 1 +ATOM 11750 C CB . PRO F 1 235 ? 38.965 47.171 115.172 1.00 22.25 ? ? ? ? ? ? 234 PRO F CB 1 +ATOM 11751 C CG . PRO F 1 235 ? 37.680 46.981 114.445 1.00 20.42 ? ? ? ? ? ? 234 PRO F CG 1 +ATOM 11752 C CD . PRO F 1 235 ? 38.010 46.077 113.322 1.00 22.22 ? ? ? ? ? ? 234 PRO F CD 1 +ATOM 11753 N N . ILE F 1 236 ? 38.366 44.323 116.539 1.00 21.79 ? ? ? ? ? ? 235 ILE F N 1 +ATOM 11754 C CA . ILE F 1 236 ? 38.087 43.471 117.722 1.00 20.60 ? ? ? ? ? ? 235 ILE F CA 1 +ATOM 11755 C C . ILE F 1 236 ? 39.184 42.402 117.794 1.00 20.81 ? ? ? ? ? ? 235 ILE F C 1 +ATOM 11756 O O . ILE F 1 236 ? 39.866 42.223 118.818 1.00 22.33 ? ? ? ? ? ? 235 ILE F O 1 +ATOM 11757 C CB . ILE F 1 236 ? 36.622 42.848 117.655 1.00 22.12 ? ? ? ? ? ? 235 ILE F CB 1 +ATOM 11758 C CG1 . ILE F 1 236 ? 35.549 43.946 117.705 1.00 18.53 ? ? ? ? ? ? 235 ILE F CG1 1 +ATOM 11759 C CG2 . ILE F 1 236 ? 36.366 41.834 118.783 1.00 18.94 ? ? ? ? ? ? 235 ILE F CG2 1 +ATOM 11760 C CD1 . ILE F 1 236 ? 34.107 43.465 117.367 1.00 16.17 ? ? ? ? ? ? 235 ILE F CD1 1 +ATOM 11761 N N . VAL F 1 237 ? 39.390 41.731 116.667 1.00 20.72 ? ? ? ? ? ? 236 VAL F N 1 +ATOM 11762 C CA . VAL F 1 237 ? 40.389 40.656 116.556 1.00 20.49 ? ? ? ? ? ? 236 VAL F CA 1 +ATOM 11763 C C . VAL F 1 237 ? 41.791 41.119 116.868 1.00 21.71 ? ? ? ? ? ? 236 VAL F C 1 +ATOM 11764 O O . VAL F 1 237 ? 42.536 40.448 117.598 1.00 22.10 ? ? ? ? ? ? 236 VAL F O 1 +ATOM 11765 C CB . VAL F 1 237 ? 40.315 39.982 115.167 1.00 20.01 ? ? ? ? ? ? 236 VAL F CB 1 +ATOM 11766 C CG1 . VAL F 1 237 ? 41.628 39.202 114.886 1.00 18.50 ? ? ? ? ? ? 236 VAL F CG1 1 +ATOM 11767 C CG2 . VAL F 1 237 ? 39.043 39.053 115.124 1.00 19.33 ? ? ? ? ? ? 236 VAL F CG2 1 +ATOM 11768 N N . GLU F 1 238 ? 42.138 42.301 116.362 1.00 23.19 ? ? ? ? ? ? 237 GLU F N 1 +ATOM 11769 C CA . GLU F 1 238 ? 43.473 42.860 116.566 1.00 23.14 ? ? ? ? ? ? 237 GLU F CA 1 +ATOM 11770 C C . GLU F 1 238 ? 43.718 43.281 118.028 1.00 21.76 ? ? ? ? ? ? 237 GLU F C 1 +ATOM 11771 O O . GLU F 1 238 ? 44.799 43.028 118.601 1.00 21.73 ? ? ? ? ? ? 237 GLU F O 1 +ATOM 11772 C CB . GLU F 1 238 ? 43.674 44.051 115.585 1.00 24.98 ? ? ? ? ? ? 237 GLU F CB 1 +ATOM 11773 C CG . GLU F 1 238 ? 45.147 44.475 115.430 1.00 31.86 ? ? ? ? ? ? 237 GLU F CG 1 +ATOM 11774 C CD . GLU F 1 238 ? 45.673 45.199 116.653 1.00 37.82 ? ? ? ? ? ? 237 GLU F CD 1 +ATOM 11775 O OE1 . GLU F 1 238 ? 44.912 46.016 117.224 1.00 45.06 ? ? ? ? ? ? 237 GLU F OE1 1 +ATOM 11776 O OE2 . GLU F 1 238 ? 46.832 44.941 117.062 1.00 39.89 ? ? ? ? ? ? 237 GLU F OE2 1 +ATOM 11777 N N . LYS F 1 239 ? 42.717 43.916 118.645 1.00 22.00 ? ? ? ? ? ? 238 LYS F N 1 +ATOM 11778 C CA . LYS F 1 239 ? 42.815 44.235 120.085 1.00 23.42 ? ? ? ? ? ? 238 LYS F CA 1 +ATOM 11779 C C . LYS F 1 239 ? 42.900 42.995 120.971 1.00 22.11 ? ? ? ? ? ? 238 LYS F C 1 +ATOM 11780 O O . LYS F 1 239 ? 43.647 42.980 121.937 1.00 22.28 ? ? ? ? ? ? 238 LYS F O 1 +ATOM 11781 C CB . LYS F 1 239 ? 41.639 45.078 120.559 1.00 23.25 ? ? ? ? ? ? 238 LYS F CB 1 +ATOM 11782 C CG . LYS F 1 239 ? 41.796 46.571 120.378 1.00 28.44 ? ? ? ? ? ? 238 LYS F CG 1 +ATOM 11783 C CD . LYS F 1 239 ? 40.755 47.320 121.253 1.00 33.13 ? ? ? ? ? ? 238 LYS F CD 1 +ATOM 11784 C CE . LYS F 1 239 ? 40.561 48.766 120.792 1.00 45.11 ? ? ? ? ? ? 238 LYS F CE 1 +ATOM 11785 N NZ . LYS F 1 239 ? 41.858 49.449 120.470 1.00 46.49 ? ? ? ? ? ? 238 LYS F NZ 1 +ATOM 11786 N N . LEU F 1 240 ? 42.117 41.962 120.666 1.00 22.30 ? ? ? ? ? ? 239 LEU F N 1 +ATOM 11787 C CA . LEU F 1 240 ? 42.151 40.731 121.454 1.00 21.23 ? ? ? ? ? ? 239 LEU F CA 1 +ATOM 11788 C C . LEU F 1 240 ? 43.510 40.041 121.308 1.00 21.08 ? ? ? ? ? ? 239 LEU F C 1 +ATOM 11789 O O . LEU F 1 240 ? 44.117 39.638 122.299 1.00 20.43 ? ? ? ? ? ? 239 LEU F O 1 +ATOM 11790 C CB . LEU F 1 240 ? 40.968 39.803 121.088 1.00 21.87 ? ? ? ? ? ? 239 LEU F CB 1 +ATOM 11791 C CG . LEU F 1 240 ? 39.616 40.234 121.676 1.00 21.27 ? ? ? ? ? ? 239 LEU F CG 1 +ATOM 11792 C CD1 . LEU F 1 240 ? 38.396 39.535 121.051 1.00 16.80 ? ? ? ? ? ? 239 LEU F CD1 1 +ATOM 11793 C CD2 . LEU F 1 240 ? 39.584 40.081 123.252 1.00 22.99 ? ? ? ? ? ? 239 LEU F CD2 1 +ATOM 11794 N N . ALA F 1 241 ? 44.014 39.959 120.080 1.00 21.33 ? ? ? ? ? ? 240 ALA F N 1 +ATOM 11795 C CA . ALA F 1 241 ? 45.347 39.431 119.832 1.00 20.78 ? ? ? ? ? ? 240 ALA F CA 1 +ATOM 11796 C C . ALA F 1 241 ? 46.403 40.135 120.698 1.00 20.63 ? ? ? ? ? ? 240 ALA F C 1 +ATOM 11797 O O . ALA F 1 241 ? 47.264 39.493 121.294 1.00 22.84 ? ? ? ? ? ? 240 ALA F O 1 +ATOM 11798 C CB . ALA F 1 241 ? 45.706 39.576 118.339 1.00 19.50 ? ? ? ? ? ? 240 ALA F CB 1 +ATOM 11799 N N . GLY F 1 242 ? 46.332 41.460 120.740 1.00 21.25 ? ? ? ? ? ? 241 GLY F N 1 +ATOM 11800 C CA . GLY F 1 242 ? 47.198 42.245 121.609 1.00 21.57 ? ? ? ? ? ? 241 GLY F CA 1 +ATOM 11801 C C . GLY F 1 242 ? 47.107 41.908 123.105 1.00 21.98 ? ? ? ? ? ? 241 GLY F C 1 +ATOM 11802 O O . GLY F 1 242 ? 48.138 41.814 123.802 1.00 22.63 ? ? ? ? ? ? 241 GLY F O 1 +ATOM 11803 N N . LEU F 1 243 ? 45.892 41.726 123.590 1.00 21.13 ? ? ? ? ? ? 242 LEU F N 1 +ATOM 11804 C CA . LEU F 1 243 ? 45.662 41.298 124.962 1.00 21.11 ? ? ? ? ? ? 242 LEU F CA 1 +ATOM 11805 C C . LEU F 1 243 ? 46.201 39.912 125.226 1.00 21.79 ? ? ? ? ? ? 242 LEU F C 1 +ATOM 11806 O O . LEU F 1 243 ? 46.815 39.669 126.279 1.00 21.61 ? ? ? ? ? ? 242 LEU F O 1 +ATOM 11807 C CB . LEU F 1 243 ? 44.164 41.334 125.295 1.00 21.91 ? ? ? ? ? ? 242 LEU F CB 1 +ATOM 11808 C CG . LEU F 1 243 ? 43.707 40.668 126.607 1.00 20.07 ? ? ? ? ? ? 242 LEU F CG 1 +ATOM 11809 C CD1 . LEU F 1 243 ? 44.063 41.510 127.757 1.00 21.03 ? ? ? ? ? ? 242 LEU F CD1 1 +ATOM 11810 C CD2 . LEU F 1 243 ? 42.184 40.438 126.579 1.00 20.77 ? ? ? ? ? ? 242 LEU F CD2 1 +ATOM 11811 N N . PHE F 1 244 ? 45.966 38.983 124.298 1.00 22.43 ? ? ? ? ? ? 243 PHE F N 1 +ATOM 11812 C CA . PHE F 1 244 ? 46.558 37.640 124.432 1.00 23.53 ? ? ? ? ? ? 243 PHE F CA 1 +ATOM 11813 C C . PHE F 1 244 ? 48.085 37.750 124.563 1.00 23.77 ? ? ? ? ? ? 243 PHE F C 1 +ATOM 11814 O O . PHE F 1 244 ? 48.679 37.132 125.417 1.00 24.96 ? ? ? ? ? ? 243 PHE F O 1 +ATOM 11815 C CB . PHE F 1 244 ? 46.255 36.710 123.231 1.00 24.18 ? ? ? ? ? ? 243 PHE F CB 1 +ATOM 11816 C CG . PHE F 1 244 ? 44.786 36.452 122.968 1.00 24.95 ? ? ? ? ? ? 243 PHE F CG 1 +ATOM 11817 C CD1 . PHE F 1 244 ? 43.781 36.945 123.792 1.00 27.09 ? ? ? ? ? ? 243 PHE F CD1 1 +ATOM 11818 C CD2 . PHE F 1 244 ? 44.421 35.676 121.890 1.00 26.09 ? ? ? ? ? ? 243 PHE F CD2 1 +ATOM 11819 C CE1 . PHE F 1 244 ? 42.448 36.702 123.503 1.00 24.57 ? ? ? ? ? ? 243 PHE F CE1 1 +ATOM 11820 C CE2 . PHE F 1 244 ? 43.089 35.415 121.614 1.00 21.83 ? ? ? ? ? ? 243 PHE F CE2 1 +ATOM 11821 C CZ . PHE F 1 244 ? 42.103 35.935 122.418 1.00 23.32 ? ? ? ? ? ? 243 PHE F CZ 1 +ATOM 11822 N N . GLU F 1 245 ? 48.719 38.521 123.693 1.00 24.02 ? ? ? ? ? ? 244 GLU F N 1 +ATOM 11823 C CA . GLU F 1 245 ? 50.200 38.622 123.721 1.00 24.44 ? ? ? ? ? ? 244 GLU F CA 1 +ATOM 11824 C C . GLU F 1 245 ? 50.722 39.197 125.027 1.00 24.08 ? ? ? ? ? ? 244 GLU F C 1 +ATOM 11825 O O . GLU F 1 245 ? 51.667 38.674 125.597 1.00 25.68 ? ? ? ? ? ? 244 GLU F O 1 +ATOM 11826 C CB . GLU F 1 245 ? 50.729 39.484 122.570 1.00 23.50 ? ? ? ? ? ? 244 GLU F CB 1 +ATOM 11827 C CG . GLU F 1 245 ? 50.659 38.836 121.174 1.00 26.66 ? ? ? ? ? ? 244 GLU F CG 1 +ATOM 11828 C CD . GLU F 1 245 ? 50.440 39.859 120.055 1.00 32.77 ? ? ? ? ? ? 244 GLU F CD 1 +ATOM 11829 O OE1 . GLU F 1 245 ? 50.323 41.063 120.395 1.00 33.41 ? ? ? ? ? ? 244 GLU F OE1 1 +ATOM 11830 O OE2 . GLU F 1 245 ? 50.378 39.472 118.851 1.00 35.01 ? ? ? ? ? ? 244 GLU F OE2 1 +ATOM 11831 N N . GLU F 1 246 ? 50.120 40.284 125.487 1.00 24.94 ? ? ? ? ? ? 245 GLU F N 1 +ATOM 11832 C CA . GLU F 1 246 ? 50.550 40.932 126.737 1.00 25.28 ? ? ? ? ? ? 245 GLU F CA 1 +ATOM 11833 C C . GLU F 1 246 ? 50.252 40.076 127.958 1.00 26.10 ? ? ? ? ? ? 245 GLU F C 1 +ATOM 11834 O O . GLU F 1 246 ? 51.039 40.053 128.891 1.00 27.16 ? ? ? ? ? ? 245 GLU F O 1 +ATOM 11835 C CB . GLU F 1 246 ? 49.881 42.275 126.910 1.00 25.08 ? ? ? ? ? ? 245 GLU F CB 1 +ATOM 11836 C CG . GLU F 1 246 ? 50.211 43.282 125.846 1.00 27.73 ? ? ? ? ? ? 245 GLU F CG 1 +ATOM 11837 C CD . GLU F 1 246 ? 49.151 44.373 125.768 1.00 29.95 ? ? ? ? ? ? 245 GLU F CD 1 +ATOM 11838 O OE1 . GLU F 1 246 ? 48.098 44.222 126.446 1.00 32.90 ? ? ? ? ? ? 245 GLU F OE1 1 +ATOM 11839 O OE2 . GLU F 1 246 ? 49.346 45.373 125.032 1.00 35.01 ? ? ? ? ? ? 245 GLU F OE2 1 +ATOM 11840 N N . MSE F 1 247 ? 49.129 39.366 127.966 1.00 25.77 ? ? ? ? ? ? 246 MSE F N 1 +ATOM 11841 C CA . MSE F 1 247 ? 48.873 38.382 129.027 1.00 26.28 ? ? ? ? ? ? 246 MSE F CA 1 +ATOM 11842 C C . MSE F 1 247 ? 49.946 37.318 129.095 1.00 28.45 ? ? ? ? ? ? 246 MSE F C 1 +ATOM 11843 O O . MSE F 1 247 ? 50.383 36.961 130.193 1.00 28.78 ? ? ? ? ? ? 246 MSE F O 1 +ATOM 11844 C CB . MSE F 1 247 ? 47.509 37.713 128.869 1.00 25.84 ? ? ? ? ? ? 246 MSE F CB 1 +ATOM 11845 C CG . MSE F 1 247 ? 46.351 38.602 129.268 1.00 24.79 ? ? ? ? ? ? 246 MSE F CG 1 +ATOM 11846 SE SE . MSE F 1 247 ? 44.634 37.702 128.995 0.75 31.57 ? ? ? ? ? ? 246 MSE F SE 1 +ATOM 11847 C CE . MSE F 1 247 ? 44.739 36.435 130.533 1.00 21.42 ? ? ? ? ? ? 246 MSE F CE 1 +ATOM 11848 N N . ALA F 1 248 ? 50.387 36.836 127.927 1.00 29.85 ? ? ? ? ? ? 247 ALA F N 1 +ATOM 11849 C CA . ALA F 1 248 ? 51.474 35.836 127.832 1.00 30.79 ? ? ? ? ? ? 247 ALA F CA 1 +ATOM 11850 C C . ALA F 1 248 ? 52.838 36.356 128.251 1.00 30.86 ? ? ? ? ? ? 247 ALA F C 1 +ATOM 11851 O O . ALA F 1 248 ? 53.647 35.601 128.803 1.00 31.49 ? ? ? ? ? ? 247 ALA F O 1 +ATOM 11852 C CB . ALA F 1 248 ? 51.582 35.290 126.416 1.00 30.04 ? ? ? ? ? ? 247 ALA F CB 1 +ATOM 11853 N N . GLN F 1 249 ? 53.104 37.630 127.971 1.00 30.82 ? ? ? ? ? ? 248 GLN F N 1 +ATOM 11854 C CA . GLN F 1 249 ? 54.470 38.184 128.095 1.00 33.40 ? ? ? ? ? ? 248 GLN F CA 1 +ATOM 11855 C C . GLN F 1 249 ? 54.708 38.998 129.378 1.00 33.62 ? ? ? ? ? ? 248 GLN F C 1 +ATOM 11856 O O . GLN F 1 249 ? 55.837 39.335 129.700 1.00 34.60 ? ? ? ? ? ? 248 GLN F O 1 +ATOM 11857 C CB . GLN F 1 249 ? 54.777 39.014 126.845 1.00 33.36 ? ? ? ? ? ? 248 GLN F CB 1 +ATOM 11858 C CG . GLN F 1 249 ? 54.992 38.101 125.617 1.00 37.41 ? ? ? ? ? ? 248 GLN F CG 1 +ATOM 11859 C CD . GLN F 1 249 ? 54.991 38.828 124.272 1.00 38.71 ? ? ? ? ? ? 248 GLN F CD 1 +ATOM 11860 O OE1 . GLN F 1 249 ? 54.777 40.054 124.195 1.00 45.23 ? ? ? ? ? ? 248 GLN F OE1 1 +ATOM 11861 N NE2 . GLN F 1 249 ? 55.226 38.060 123.194 1.00 39.58 ? ? ? ? ? ? 248 GLN F NE2 1 +ATOM 11862 N N . HIS F 1 250 ? 53.645 39.312 130.106 1.00 33.09 ? ? ? ? ? ? 249 HIS F N 1 +ATOM 11863 C CA . HIS F 1 250 ? 53.765 40.072 131.352 1.00 33.07 ? ? ? ? ? ? 249 HIS F CA 1 +ATOM 11864 C C . HIS F 1 250 ? 52.973 39.439 132.455 1.00 32.33 ? ? ? ? ? ? 249 HIS F C 1 +ATOM 11865 O O . HIS F 1 250 ? 51.958 38.801 132.229 1.00 32.96 ? ? ? ? ? ? 249 HIS F O 1 +ATOM 11866 C CB . HIS F 1 250 ? 53.233 41.490 131.205 1.00 34.45 ? ? ? ? ? ? 249 HIS F CB 1 +ATOM 11867 C CG . HIS F 1 250 ? 53.877 42.266 130.111 1.00 36.10 ? ? ? ? ? ? 249 HIS F CG 1 +ATOM 11868 N ND1 . HIS F 1 250 ? 55.141 42.800 130.229 1.00 40.85 ? ? ? ? ? ? 249 HIS F ND1 1 +ATOM 11869 C CD2 . HIS F 1 250 ? 53.436 42.593 128.876 1.00 37.88 ? ? ? ? ? ? 249 HIS F CD2 1 +ATOM 11870 C CE1 . HIS F 1 250 ? 55.447 43.432 129.109 1.00 43.83 ? ? ? ? ? ? 249 HIS F CE1 1 +ATOM 11871 N NE2 . HIS F 1 250 ? 54.430 43.322 128.273 1.00 40.12 ? ? ? ? ? ? 249 HIS F NE2 1 +ATOM 11872 N N . ASP F 1 251 ? 53.450 39.648 133.666 1.00 32.22 ? ? ? ? ? ? 250 ASP F N 1 +ATOM 11873 C CA . ASP F 1 251 ? 52.652 39.424 134.846 1.00 31.62 ? ? ? ? ? ? 250 ASP F CA 1 +ATOM 11874 C C . ASP F 1 251 ? 51.698 40.615 135.012 1.00 28.51 ? ? ? ? ? ? 250 ASP F C 1 +ATOM 11875 O O . ASP F 1 251 ? 51.863 41.663 134.387 1.00 27.53 ? ? ? ? ? ? 250 ASP F O 1 +ATOM 11876 C CB . ASP F 1 251 ? 53.543 39.217 136.074 1.00 33.47 ? ? ? ? ? ? 250 ASP F CB 1 +ATOM 11877 C CG . ASP F 1 251 ? 54.455 37.994 135.930 1.00 41.92 ? ? ? ? ? ? 250 ASP F CG 1 +ATOM 11878 O OD1 . ASP F 1 251 ? 54.219 37.171 135.019 1.00 44.75 ? ? ? ? ? ? 250 ASP F OD1 1 +ATOM 11879 O OD2 . ASP F 1 251 ? 55.418 37.865 136.716 1.00 50.55 ? ? ? ? ? ? 250 ASP F OD2 1 +ATOM 11880 N N . LEU F 1 252 ? 50.674 40.415 135.827 1.00 26.61 ? ? ? ? ? ? 251 LEU F N 1 +ATOM 11881 C CA . LEU F 1 252 ? 49.630 41.425 136.038 1.00 25.92 ? ? ? ? ? ? 251 LEU F CA 1 +ATOM 11882 C C . LEU F 1 252 ? 50.197 42.754 136.549 1.00 25.94 ? ? ? ? ? ? 251 LEU F C 1 +ATOM 11883 O O . LEU F 1 252 ? 49.759 43.831 136.152 1.00 24.67 ? ? ? ? ? ? 251 LEU F O 1 +ATOM 11884 C CB . LEU F 1 252 ? 48.601 40.886 137.040 1.00 25.96 ? ? ? ? ? ? 251 LEU F CB 1 +ATOM 11885 C CG . LEU F 1 252 ? 47.314 41.700 137.269 1.00 26.19 ? ? ? ? ? ? 251 LEU F CG 1 +ATOM 11886 C CD1 . LEU F 1 252 ? 46.684 42.027 135.927 1.00 24.02 ? ? ? ? ? ? 251 LEU F CD1 1 +ATOM 11887 C CD2 . LEU F 1 252 ? 46.378 40.893 138.176 1.00 20.79 ? ? ? ? ? ? 251 LEU F CD2 1 +ATOM 11888 N N . TYR F 1 253 ? 51.159 42.659 137.452 1.00 27.28 ? ? ? ? ? ? 252 TYR F N 1 +ATOM 11889 C CA . TYR F 1 253 ? 51.898 43.827 137.976 1.00 28.58 ? ? ? ? ? ? 252 TYR F CA 1 +ATOM 11890 C C . TYR F 1 253 ? 53.375 43.448 137.964 1.00 31.86 ? ? ? ? ? ? 252 TYR F C 1 +ATOM 11891 O O . TYR F 1 253 ? 53.718 42.267 138.162 1.00 31.82 ? ? ? ? ? ? 252 TYR F O 1 +ATOM 11892 C CB . TYR F 1 253 ? 51.510 44.136 139.415 1.00 28.18 ? ? ? ? ? ? 252 TYR F CB 1 +ATOM 11893 C CG . TYR F 1 253 ? 50.076 44.550 139.624 1.00 24.61 ? ? ? ? ? ? 252 TYR F CG 1 +ATOM 11894 C CD1 . TYR F 1 253 ? 49.718 45.878 139.550 1.00 24.40 ? ? ? ? ? ? 252 TYR F CD1 1 +ATOM 11895 C CD2 . TYR F 1 253 ? 49.088 43.614 139.935 1.00 22.24 ? ? ? ? ? ? 252 TYR F CD2 1 +ATOM 11896 C CE1 . TYR F 1 253 ? 48.386 46.293 139.762 1.00 28.78 ? ? ? ? ? ? 252 TYR F CE1 1 +ATOM 11897 C CE2 . TYR F 1 253 ? 47.746 44.026 140.155 1.00 20.32 ? ? ? ? ? ? 252 TYR F CE2 1 +ATOM 11898 C CZ . TYR F 1 253 ? 47.412 45.352 140.063 1.00 21.94 ? ? ? ? ? ? 252 TYR F CZ 1 +ATOM 11899 O OH . TYR F 1 253 ? 46.110 45.766 140.264 1.00 28.44 ? ? ? ? ? ? 252 TYR F OH 1 +ATOM 11900 N N . GLU F 1 254 ? 54.246 44.422 137.720 1.00 36.71 ? ? ? ? ? ? 253 GLU F N 1 +ATOM 11901 C CA . GLU F 1 254 ? 55.667 44.126 137.608 1.00 41.49 ? ? ? ? ? ? 253 GLU F CA 1 +ATOM 11902 C C . GLU F 1 254 ? 56.553 45.142 138.349 1.00 44.56 ? ? ? ? ? ? 253 GLU F C 1 +ATOM 11903 O O . GLU F 1 254 ? 56.111 46.224 138.797 1.00 46.19 ? ? ? ? ? ? 253 GLU F O 1 +ATOM 11904 C CB . GLU F 1 254 ? 56.043 43.985 136.118 1.00 42.57 ? ? ? ? ? ? 253 GLU F CB 1 +ATOM 11905 C CG . GLU F 1 254 ? 55.566 42.628 135.506 1.00 45.07 ? ? ? ? ? ? 253 GLU F CG 1 +ATOM 11906 C CD . GLU F 1 254 ? 55.767 42.503 134.000 1.00 42.92 ? ? ? ? ? ? 253 GLU F CD 1 +ATOM 11907 O OE1 . GLU F 1 254 ? 55.839 43.547 133.293 1.00 40.13 ? ? ? ? ? ? 253 GLU F OE1 1 +ATOM 11908 O OE2 . GLU F 1 254 ? 55.855 41.339 133.529 1.00 44.42 ? ? ? ? ? ? 253 GLU F OE2 1 +ATOM 11909 O OXT . GLU F 1 254 ? 57.752 44.844 138.532 1.00 47.67 ? ? ? ? ? ? 253 GLU F OXT 1 +ATOM 11910 N N . MSE G 1 2 ? 16.301 105.085 145.207 1.00 39.13 ? ? ? ? ? ? 1 MSE G N 1 +ATOM 11911 C CA . MSE G 1 2 ? 16.198 104.156 144.039 1.00 40.03 ? ? ? ? ? ? 1 MSE G CA 1 +ATOM 11912 C C . MSE G 1 2 ? 14.804 104.237 143.418 1.00 37.57 ? ? ? ? ? ? 1 MSE G C 1 +ATOM 11913 O O . MSE G 1 2 ? 13.800 104.057 144.111 1.00 38.16 ? ? ? ? ? ? 1 MSE G O 1 +ATOM 11914 C CB . MSE G 1 2 ? 16.477 102.716 144.483 1.00 40.43 ? ? ? ? ? ? 1 MSE G CB 1 +ATOM 11915 C CG . MSE G 1 2 ? 16.114 101.644 143.461 1.00 42.44 ? ? ? ? ? ? 1 MSE G CG 1 +ATOM 11916 SE SE . MSE G 1 2 ? 16.463 99.792 144.043 0.75 44.80 ? ? ? ? ? ? 1 MSE G SE 1 +ATOM 11917 C CE . MSE G 1 2 ? 18.317 100.089 144.886 1.00 40.89 ? ? ? ? ? ? 1 MSE G CE 1 +ATOM 11918 N N . ASN G 1 3 ? 14.721 104.486 142.117 1.00 33.66 ? ? ? ? ? ? 2 ASN G N 1 +ATOM 11919 C CA . ASN G 1 3 ? 13.417 104.665 141.482 1.00 31.12 ? ? ? ? ? ? 2 ASN G CA 1 +ATOM 11920 C C . ASN G 1 3 ? 13.267 103.814 140.239 1.00 29.65 ? ? ? ? ? ? 2 ASN G C 1 +ATOM 11921 O O . ASN G 1 3 ? 13.614 104.235 139.145 1.00 28.04 ? ? ? ? ? ? 2 ASN G O 1 +ATOM 11922 C CB . ASN G 1 3 ? 13.215 106.148 141.172 1.00 31.54 ? ? ? ? ? ? 2 ASN G CB 1 +ATOM 11923 C CG . ASN G 1 3 ? 11.785 106.484 140.794 1.00 30.12 ? ? ? ? ? ? 2 ASN G CG 1 +ATOM 11924 O OD1 . ASN G 1 3 ? 11.078 105.690 140.179 1.00 29.85 ? ? ? ? ? ? 2 ASN G OD1 1 +ATOM 11925 N ND2 . ASN G 1 3 ? 11.354 107.696 141.168 1.00 31.53 ? ? ? ? ? ? 2 ASN G ND2 1 +ATOM 11926 N N . LYS G 1 4 ? 12.732 102.613 140.416 1.00 28.74 ? ? ? ? ? ? 3 LYS G N 1 +ATOM 11927 C CA . LYS G 1 4 ? 12.567 101.674 139.311 1.00 30.18 ? ? ? ? ? ? 3 LYS G CA 1 +ATOM 11928 C C . LYS G 1 4 ? 11.551 102.134 138.225 1.00 28.66 ? ? ? ? ? ? 3 LYS G C 1 +ATOM 11929 O O . LYS G 1 4 ? 11.547 101.644 137.106 1.00 28.15 ? ? ? ? ? ? 3 LYS G O 1 +ATOM 11930 C CB . LYS G 1 4 ? 12.163 100.312 139.863 1.00 32.03 ? ? ? ? ? ? 3 LYS G CB 1 +ATOM 11931 C CG . LYS G 1 4 ? 13.205 99.612 140.723 1.00 32.77 ? ? ? ? ? ? 3 LYS G CG 1 +ATOM 11932 C CD . LYS G 1 4 ? 12.841 98.111 140.848 1.00 33.52 ? ? ? ? ? ? 3 LYS G CD 1 +ATOM 11933 C CE . LYS G 1 4 ? 13.810 97.287 141.695 1.00 35.28 ? ? ? ? ? ? 3 LYS G CE 1 +ATOM 11934 N NZ . LYS G 1 4 ? 13.447 95.823 141.642 1.00 31.51 ? ? ? ? ? ? 3 LYS G NZ 1 +ATOM 11935 N N . GLU G 1 5 ? 10.721 103.114 138.525 1.00 27.65 ? ? ? ? ? ? 4 GLU G N 1 +ATOM 11936 C CA . GLU G 1 5 ? 9.816 103.629 137.518 1.00 27.35 ? ? ? ? ? ? 4 GLU G CA 1 +ATOM 11937 C C . GLU G 1 5 ? 10.481 104.466 136.422 1.00 23.79 ? ? ? ? ? ? 4 GLU G C 1 +ATOM 11938 O O . GLU G 1 5 ? 9.989 104.465 135.298 1.00 24.53 ? ? ? ? ? ? 4 GLU G O 1 +ATOM 11939 C CB . GLU G 1 5 ? 8.745 104.470 138.190 1.00 28.16 ? ? ? ? ? ? 4 GLU G CB 1 +ATOM 11940 C CG . GLU G 1 5 ? 7.534 104.703 137.344 1.00 30.78 ? ? ? ? ? ? 4 GLU G CG 1 +ATOM 11941 C CD . GLU G 1 5 ? 6.358 105.263 138.161 1.00 33.89 ? ? ? ? ? ? 4 GLU G CD 1 +ATOM 11942 O OE1 . GLU G 1 5 ? 6.487 105.370 139.396 1.00 41.04 ? ? ? ? ? ? 4 GLU G OE1 1 +ATOM 11943 O OE2 . GLU G 1 5 ? 5.320 105.603 137.564 1.00 29.50 ? ? ? ? ? ? 4 GLU G OE2 1 +ATOM 11944 N N . VAL G 1 6 ? 11.556 105.199 136.734 1.00 21.53 ? ? ? ? ? ? 5 VAL G N 1 +ATOM 11945 C CA . VAL G 1 6 ? 12.137 106.158 135.772 1.00 20.98 ? ? ? ? ? ? 5 VAL G CA 1 +ATOM 11946 C C . VAL G 1 6 ? 13.642 106.033 135.566 1.00 20.55 ? ? ? ? ? ? 5 VAL G C 1 +ATOM 11947 O O . VAL G 1 6 ? 14.235 106.817 134.836 1.00 20.59 ? ? ? ? ? ? 5 VAL G O 1 +ATOM 11948 C CB . VAL G 1 6 ? 11.804 107.676 136.159 1.00 20.32 ? ? ? ? ? ? 5 VAL G CB 1 +ATOM 11949 C CG1 . VAL G 1 6 ? 10.272 107.921 136.246 1.00 18.25 ? ? ? ? ? ? 5 VAL G CG1 1 +ATOM 11950 C CG2 . VAL G 1 6 ? 12.524 108.111 137.428 1.00 15.32 ? ? ? ? ? ? 5 VAL G CG2 1 +ATOM 11951 N N . ASP G 1 7 ? 14.267 105.056 136.208 1.00 20.02 ? ? ? ? ? ? 6 ASP G N 1 +ATOM 11952 C CA . ASP G 1 7 ? 15.713 104.878 136.146 1.00 19.48 ? ? ? ? ? ? 6 ASP G CA 1 +ATOM 11953 C C . ASP G 1 7 ? 16.070 103.433 135.684 1.00 20.30 ? ? ? ? ? ? 6 ASP G C 1 +ATOM 11954 O O . ASP G 1 7 ? 16.069 102.460 136.484 1.00 20.67 ? ? ? ? ? ? 6 ASP G O 1 +ATOM 11955 C CB . ASP G 1 7 ? 16.292 105.177 137.518 1.00 19.77 ? ? ? ? ? ? 6 ASP G CB 1 +ATOM 11956 C CG . ASP G 1 7 ? 17.813 105.119 137.549 1.00 20.46 ? ? ? ? ? ? 6 ASP G CG 1 +ATOM 11957 O OD1 . ASP G 1 7 ? 18.450 104.908 136.489 1.00 24.06 ? ? ? ? ? ? 6 ASP G OD1 1 +ATOM 11958 O OD2 . ASP G 1 7 ? 18.366 105.323 138.645 1.00 22.26 ? ? ? ? ? ? 6 ASP G OD2 1 +ATOM 11959 N N . LEU G 1 8 ? 16.356 103.280 134.394 1.00 19.05 ? ? ? ? ? ? 7 LEU G N 1 +ATOM 11960 C CA . LEU G 1 8 ? 16.498 101.930 133.846 1.00 19.98 ? ? ? ? ? ? 7 LEU G CA 1 +ATOM 11961 C C . LEU G 1 8 ? 17.638 101.177 134.514 1.00 20.95 ? ? ? ? ? ? 7 LEU G C 1 +ATOM 11962 O O . LEU G 1 8 ? 17.571 99.964 134.624 1.00 22.18 ? ? ? ? ? ? 7 LEU G O 1 +ATOM 11963 C CB . LEU G 1 8 ? 16.674 101.934 132.317 1.00 18.23 ? ? ? ? ? ? 7 LEU G CB 1 +ATOM 11964 C CG . LEU G 1 8 ? 16.351 100.562 131.731 1.00 18.02 ? ? ? ? ? ? 7 LEU G CG 1 +ATOM 11965 C CD1 . LEU G 1 8 ? 14.778 100.378 131.567 1.00 13.92 ? ? ? ? ? ? 7 LEU G CD1 1 +ATOM 11966 C CD2 . LEU G 1 8 ? 17.130 100.325 130.426 1.00 15.44 ? ? ? ? ? ? 7 LEU G CD2 1 +ATOM 11967 N N . SER G 1 9 ? 18.658 101.906 134.978 1.00 21.27 ? ? ? ? ? ? 8 SER G N 1 +ATOM 11968 C CA . SER G 1 9 ? 19.788 101.338 135.696 1.00 21.92 ? ? ? ? ? ? 8 SER G CA 1 +ATOM 11969 C C . SER G 1 9 ? 19.447 100.497 136.921 1.00 22.71 ? ? ? ? ? ? 8 SER G C 1 +ATOM 11970 O O . SER G 1 9 ? 20.221 99.619 137.294 1.00 23.07 ? ? ? ? ? ? 8 SER G O 1 +ATOM 11971 C CB . SER G 1 9 ? 20.740 102.462 136.109 1.00 23.00 ? ? ? ? ? ? 8 SER G CB 1 +ATOM 11972 O OG . SER G 1 9 ? 21.141 103.168 134.955 1.00 23.70 ? ? ? ? ? ? 8 SER G OG 1 +ATOM 11973 N N . VAL G 1 10 ? 18.291 100.726 137.542 1.00 22.55 ? ? ? ? ? ? 9 VAL G N 1 +ATOM 11974 C CA . VAL G 1 10 ? 17.875 99.877 138.661 1.00 22.72 ? ? ? ? ? ? 9 VAL G CA 1 +ATOM 11975 C C . VAL G 1 10 ? 16.509 99.159 138.397 1.00 23.83 ? ? ? ? ? ? 9 VAL G C 1 +ATOM 11976 O O . VAL G 1 10 ? 16.057 98.355 139.202 1.00 26.82 ? ? ? ? ? ? 9 VAL G O 1 +ATOM 11977 C CB . VAL G 1 10 ? 17.859 100.697 140.009 1.00 21.97 ? ? ? ? ? ? 9 VAL G CB 1 +ATOM 11978 C CG1 . VAL G 1 10 ? 19.237 101.251 140.338 1.00 21.47 ? ? ? ? ? ? 9 VAL G CG1 1 +ATOM 11979 C CG2 . VAL G 1 10 ? 16.808 101.813 139.982 1.00 20.59 ? ? ? ? ? ? 9 VAL G CG2 1 +ATOM 11980 N N . SER G 1 11 ? 15.884 99.432 137.261 1.00 22.48 ? ? ? ? ? ? 10 SER G N 1 +ATOM 11981 C CA . SER G 1 11 ? 14.567 98.911 136.981 1.00 21.87 ? ? ? ? ? ? 10 SER G CA 1 +ATOM 11982 C C . SER G 1 11 ? 14.565 97.461 136.429 1.00 22.80 ? ? ? ? ? ? 10 SER G C 1 +ATOM 11983 O O . SER G 1 11 ? 15.604 96.900 136.070 1.00 21.91 ? ? ? ? ? ? 10 SER G O 1 +ATOM 11984 C CB . SER G 1 11 ? 13.826 99.855 136.031 1.00 22.93 ? ? ? ? ? ? 10 SER G CB 1 +ATOM 11985 O OG . SER G 1 11 ? 12.438 99.508 135.973 1.00 22.31 ? ? ? ? ? ? 10 SER G OG 1 +ATOM 11986 N N . CYS G 1 12 ? 13.371 96.890 136.363 1.00 22.61 ? ? ? ? ? ? 11 CYS G N 1 +ATOM 11987 C CA . CYS G 1 12 ? 13.160 95.548 135.839 1.00 23.16 ? ? ? ? ? ? 11 CYS G CA 1 +ATOM 11988 C C . CYS G 1 12 ? 11.888 95.520 135.006 1.00 23.33 ? ? ? ? ? ? 11 CYS G C 1 +ATOM 11989 O O . CYS G 1 12 ? 11.076 96.443 135.090 1.00 23.51 ? ? ? ? ? ? 11 CYS G O 1 +ATOM 11990 C CB . CYS G 1 12 ? 13.083 94.544 136.984 1.00 23.45 ? ? ? ? ? ? 11 CYS G CB 1 +ATOM 11991 S SG . CYS G 1 12 ? 11.848 95.005 138.172 1.00 23.50 ? ? ? ? ? ? 11 CYS G SG 1 +ATOM 11992 N N . LEU G 1 13 ? 11.724 94.475 134.182 1.00 23.51 ? ? ? ? ? ? 12 LEU G N 1 +ATOM 11993 C CA . LEU G 1 13 ? 10.598 94.431 133.233 1.00 24.00 ? ? ? ? ? ? 12 LEU G CA 1 +ATOM 11994 C C . LEU G 1 13 ? 9.270 94.485 133.997 1.00 25.53 ? ? ? ? ? ? 12 LEU G C 1 +ATOM 11995 O O . LEU G 1 13 ? 8.352 95.160 133.569 1.00 25.95 ? ? ? ? ? ? 12 LEU G O 1 +ATOM 11996 C CB . LEU G 1 13 ? 10.646 93.187 132.326 1.00 22.75 ? ? ? ? ? ? 12 LEU G CB 1 +ATOM 11997 C CG . LEU G 1 13 ? 9.534 92.984 131.307 1.00 24.01 ? ? ? ? ? ? 12 LEU G CG 1 +ATOM 11998 C CD1 . LEU G 1 13 ? 9.431 94.187 130.370 1.00 22.52 ? ? ? ? ? ? 12 LEU G CD1 1 +ATOM 11999 C CD2 . LEU G 1 13 ? 9.811 91.742 130.480 1.00 23.29 ? ? ? ? ? ? 12 LEU G CD2 1 +ATOM 12000 N N . GLY G 1 14 ? 9.187 93.785 135.132 1.00 26.27 ? ? ? ? ? ? 13 GLY G N 1 +ATOM 12001 C CA . GLY G 1 14 ? 7.951 93.724 135.892 1.00 26.98 ? ? ? ? ? ? 13 GLY G CA 1 +ATOM 12002 C C . GLY G 1 14 ? 7.440 95.085 136.346 1.00 28.33 ? ? ? ? ? ? 13 GLY G C 1 +ATOM 12003 O O . GLY G 1 14 ? 6.245 95.273 136.502 1.00 28.50 ? ? ? ? ? ? 13 GLY G O 1 +ATOM 12004 N N . LYS G 1 15 ? 8.349 96.028 136.560 1.00 28.75 ? ? ? ? ? ? 14 LYS G N 1 +ATOM 12005 C CA . LYS G 1 15 ? 7.989 97.349 137.038 1.00 30.40 ? ? ? ? ? ? 14 LYS G CA 1 +ATOM 12006 C C . LYS G 1 15 ? 7.558 98.254 135.879 1.00 30.89 ? ? ? ? ? ? 14 LYS G C 1 +ATOM 12007 O O . LYS G 1 15 ? 6.730 99.139 136.044 1.00 35.28 ? ? ? ? ? ? 14 LYS G O 1 +ATOM 12008 C CB . LYS G 1 15 ? 9.165 97.968 137.816 1.00 31.52 ? ? ? ? ? ? 14 LYS G CB 1 +ATOM 12009 C CG . LYS G 1 15 ? 8.951 99.436 138.228 1.00 39.59 ? ? ? ? ? ? 14 LYS G CG 1 +ATOM 12010 C CD . LYS G 1 15 ? 7.857 99.608 139.295 1.00 46.87 ? ? ? ? ? ? 14 LYS G CD 1 +ATOM 12011 C CE . LYS G 1 15 ? 7.543 101.089 139.569 1.00 50.15 ? ? ? ? ? ? 14 LYS G CE 1 +ATOM 12012 N NZ . LYS G 1 15 ? 7.056 101.310 140.976 1.00 51.68 ? ? ? ? ? ? 14 LYS G NZ 1 +ATOM 12013 N N . VAL G 1 16 ? 8.098 98.040 134.699 1.00 29.33 ? ? ? ? ? ? 15 VAL G N 1 +ATOM 12014 C CA . VAL G 1 16 ? 7.823 98.957 133.589 1.00 28.43 ? ? ? ? ? ? 15 VAL G CA 1 +ATOM 12015 C C . VAL G 1 16 ? 6.805 98.479 132.562 1.00 29.31 ? ? ? ? ? ? 15 VAL G C 1 +ATOM 12016 O O . VAL G 1 16 ? 6.308 99.286 131.775 1.00 27.22 ? ? ? ? ? ? 15 VAL G O 1 +ATOM 12017 C CB . VAL G 1 16 ? 9.113 99.316 132.812 1.00 28.80 ? ? ? ? ? ? 15 VAL G CB 1 +ATOM 12018 C CG1 . VAL G 1 16 ? 10.133 99.850 133.747 1.00 26.31 ? ? ? ? ? ? 15 VAL G CG1 1 +ATOM 12019 C CG2 . VAL G 1 16 ? 9.632 98.111 132.042 1.00 26.50 ? ? ? ? ? ? 15 VAL G CG2 1 +ATOM 12020 N N . LYS G 1 17 ? 6.499 97.181 132.543 1.00 31.02 ? ? ? ? ? ? 16 LYS G N 1 +ATOM 12021 C CA . LYS G 1 17 ? 5.791 96.603 131.390 1.00 34.83 ? ? ? ? ? ? 16 LYS G CA 1 +ATOM 12022 C C . LYS G 1 17 ? 4.345 97.092 131.207 1.00 35.12 ? ? ? ? ? ? 16 LYS G C 1 +ATOM 12023 O O . LYS G 1 17 ? 3.872 97.169 130.069 1.00 35.46 ? ? ? ? ? ? 16 LYS G O 1 +ATOM 12024 C CB . LYS G 1 17 ? 5.825 95.072 131.429 1.00 35.58 ? ? ? ? ? ? 16 LYS G CB 1 +ATOM 12025 C CG . LYS G 1 17 ? 4.857 94.389 132.427 1.00 37.54 ? ? ? ? ? ? 16 LYS G CG 1 +ATOM 12026 C CD . LYS G 1 17 ? 4.911 92.872 132.205 1.00 40.83 ? ? ? ? ? ? 16 LYS G CD 1 +ATOM 12027 C CE . LYS G 1 17 ? 3.919 92.145 133.095 1.00 50.49 ? ? ? ? ? ? 16 LYS G CE 1 +ATOM 12028 N NZ . LYS G 1 17 ? 4.005 90.659 132.948 1.00 55.73 ? ? ? ? ? ? 16 LYS G NZ 1 +ATOM 12029 N N . GLU G 1 18 ? 3.649 97.408 132.299 1.00 36.13 ? ? ? ? ? ? 17 GLU G N 1 +ATOM 12030 C CA . GLU G 1 18 ? 2.266 97.882 132.206 1.00 39.70 ? ? ? ? ? ? 17 GLU G CA 1 +ATOM 12031 C C . GLU G 1 18 ? 2.147 99.402 132.315 1.00 38.61 ? ? ? ? ? ? 17 GLU G C 1 +ATOM 12032 O O . GLU G 1 18 ? 1.035 99.898 132.455 1.00 39.67 ? ? ? ? ? ? 17 GLU G O 1 +ATOM 12033 C CB . GLU G 1 18 ? 1.356 97.237 133.285 1.00 42.50 ? ? ? ? ? ? 17 GLU G CB 1 +ATOM 12034 C CG . GLU G 1 18 ? 1.228 95.681 133.262 1.00 49.17 ? ? ? ? ? ? 17 GLU G CG 1 +ATOM 12035 C CD . GLU G 1 18 ? 0.888 95.124 131.881 1.00 55.38 ? ? ? ? ? ? 17 GLU G CD 1 +ATOM 12036 O OE1 . GLU G 1 18 ? 0.162 95.801 131.124 1.00 61.48 ? ? ? ? ? ? 17 GLU G OE1 1 +ATOM 12037 O OE2 . GLU G 1 18 ? 1.350 94.011 131.544 1.00 61.14 ? ? ? ? ? ? 17 GLU G OE2 1 +ATOM 12038 N N . LEU G 1 19 ? 3.259 100.139 132.258 1.00 35.56 ? ? ? ? ? ? 18 LEU G N 1 +ATOM 12039 C CA . LEU G 1 19 ? 3.226 101.598 132.328 1.00 32.92 ? ? ? ? ? ? 18 LEU G CA 1 +ATOM 12040 C C . LEU G 1 19 ? 3.448 102.203 130.941 1.00 31.92 ? ? ? ? ? ? 18 LEU G C 1 +ATOM 12041 O O . LEU G 1 19 ? 4.113 101.597 130.087 1.00 32.16 ? ? ? ? ? ? 18 LEU G O 1 +ATOM 12042 C CB . LEU G 1 19 ? 4.293 102.108 133.303 1.00 32.48 ? ? ? ? ? ? 18 LEU G CB 1 +ATOM 12043 C CG . LEU G 1 19 ? 4.189 101.667 134.770 1.00 29.24 ? ? ? ? ? ? 18 LEU G CG 1 +ATOM 12044 C CD1 . LEU G 1 19 ? 5.269 102.321 135.581 1.00 23.03 ? ? ? ? ? ? 18 LEU G CD1 1 +ATOM 12045 C CD2 . LEU G 1 19 ? 2.832 102.000 135.391 1.00 30.26 ? ? ? ? ? ? 18 LEU G CD2 1 +ATOM 12046 N N . LYS G 1 20 ? 2.860 103.393 130.724 1.00 30.63 ? ? ? ? ? ? 19 LYS G N 1 +ATOM 12047 C CA . LYS G 1 20 ? 3.039 104.184 129.500 1.00 29.91 ? ? ? ? ? ? 19 LYS G CA 1 +ATOM 12048 C C . LYS G 1 20 ? 4.166 105.199 129.689 1.00 26.87 ? ? ? ? ? ? 19 LYS G C 1 +ATOM 12049 O O . LYS G 1 20 ? 4.178 105.913 130.652 1.00 24.28 ? ? ? ? ? ? 19 LYS G O 1 +ATOM 12050 C CB . LYS G 1 20 ? 1.752 104.948 129.157 1.00 31.65 ? ? ? ? ? ? 19 LYS G CB 1 +ATOM 12051 C CG . LYS G 1 20 ? 1.784 105.663 127.786 1.00 39.83 ? ? ? ? ? ? 19 LYS G CG 1 +ATOM 12052 C CD . LYS G 1 20 ? 0.734 106.775 127.685 1.00 42.66 ? ? ? ? ? ? 19 LYS G CD 1 +ATOM 12053 C CE . LYS G 1 20 ? 0.896 107.566 126.376 1.00 54.48 ? ? ? ? ? ? 19 LYS G CE 1 +ATOM 12054 N NZ . LYS G 1 20 ? -0.189 108.602 126.133 1.00 54.54 ? ? ? ? ? ? 19 LYS G NZ 1 +ATOM 12055 N N . TYR G 1 21 ? 5.102 105.265 128.751 1.00 25.18 ? ? ? ? ? ? 20 TYR G N 1 +ATOM 12056 C CA . TYR G 1 21 ? 6.221 106.195 128.849 1.00 24.41 ? ? ? ? ? ? 20 TYR G CA 1 +ATOM 12057 C C . TYR G 1 21 ? 6.111 107.170 127.693 1.00 23.88 ? ? ? ? ? ? 20 TYR G C 1 +ATOM 12058 O O . TYR G 1 21 ? 5.918 106.773 126.542 1.00 25.73 ? ? ? ? ? ? 20 TYR G O 1 +ATOM 12059 C CB . TYR G 1 21 ? 7.583 105.454 128.854 1.00 22.69 ? ? ? ? ? ? 20 TYR G CB 1 +ATOM 12060 C CG . TYR G 1 21 ? 7.860 104.736 130.159 1.00 21.68 ? ? ? ? ? ? 20 TYR G CG 1 +ATOM 12061 C CD1 . TYR G 1 21 ? 7.342 103.469 130.414 1.00 20.66 ? ? ? ? ? ? 20 TYR G CD1 1 +ATOM 12062 C CD2 . TYR G 1 21 ? 8.633 105.324 131.140 1.00 19.71 ? ? ? ? ? ? 20 TYR G CD2 1 +ATOM 12063 C CE1 . TYR G 1 21 ? 7.575 102.829 131.632 1.00 18.98 ? ? ? ? ? ? 20 TYR G CE1 1 +ATOM 12064 C CE2 . TYR G 1 21 ? 8.867 104.683 132.351 1.00 19.93 ? ? ? ? ? ? 20 TYR G CE2 1 +ATOM 12065 C CZ . TYR G 1 21 ? 8.330 103.448 132.592 1.00 17.79 ? ? ? ? ? ? 20 TYR G CZ 1 +ATOM 12066 O OH . TYR G 1 21 ? 8.583 102.843 133.796 1.00 22.56 ? ? ? ? ? ? 20 TYR G OH 1 +ATOM 12067 N N . ASP G 1 22 ? 6.253 108.445 128.015 1.00 24.74 ? ? ? ? ? ? 21 ASP G N 1 +ATOM 12068 C CA . ASP G 1 22 ? 6.082 109.537 127.051 1.00 26.12 ? ? ? ? ? ? 21 ASP G CA 1 +ATOM 12069 C C . ASP G 1 22 ? 7.401 109.981 126.362 1.00 26.14 ? ? ? ? ? ? 21 ASP G C 1 +ATOM 12070 O O . ASP G 1 22 ? 7.447 110.212 125.140 1.00 27.54 ? ? ? ? ? ? 21 ASP G O 1 +ATOM 12071 C CB . ASP G 1 22 ? 5.416 110.715 127.790 1.00 27.75 ? ? ? ? ? ? 21 ASP G CB 1 +ATOM 12072 C CG . ASP G 1 22 ? 4.045 110.328 128.411 1.00 30.84 ? ? ? ? ? ? 21 ASP G CG 1 +ATOM 12073 O OD1 . ASP G 1 22 ? 3.165 109.932 127.619 1.00 36.32 ? ? ? ? ? ? 21 ASP G OD1 1 +ATOM 12074 O OD2 . ASP G 1 22 ? 3.853 110.401 129.661 1.00 30.46 ? ? ? ? ? ? 21 ASP G OD2 1 +ATOM 12075 N N . VAL G 1 23 ? 8.470 110.117 127.147 1.00 24.39 ? ? ? ? ? ? 22 VAL G N 1 +ATOM 12076 C CA . VAL G 1 23 ? 9.745 110.588 126.618 1.00 22.96 ? ? ? ? ? ? 22 VAL G CA 1 +ATOM 12077 C C . VAL G 1 23 ? 10.864 109.686 127.167 1.00 21.82 ? ? ? ? ? ? 22 VAL G C 1 +ATOM 12078 O O . VAL G 1 23 ? 10.774 109.200 128.293 1.00 20.43 ? ? ? ? ? ? 22 VAL G O 1 +ATOM 12079 C CB . VAL G 1 23 ? 9.979 112.078 126.964 1.00 22.95 ? ? ? ? ? ? 22 VAL G CB 1 +ATOM 12080 C CG1 . VAL G 1 23 ? 11.218 112.605 126.304 1.00 22.42 ? ? ? ? ? ? 22 VAL G CG1 1 +ATOM 12081 C CG2 . VAL G 1 23 ? 8.743 112.943 126.588 1.00 24.66 ? ? ? ? ? ? 22 VAL G CG2 1 +ATOM 12082 N N . ILE G 1 24 ? 11.886 109.448 126.356 1.00 19.78 ? ? ? ? ? ? 23 ILE G N 1 +ATOM 12083 C CA . ILE G 1 24 ? 13.051 108.670 126.757 1.00 18.27 ? ? ? ? ? ? 23 ILE G CA 1 +ATOM 12084 C C . ILE G 1 24 ? 14.179 109.658 126.875 1.00 18.13 ? ? ? ? ? ? 23 ILE G C 1 +ATOM 12085 O O . ILE G 1 24 ? 14.334 110.541 126.027 1.00 18.18 ? ? ? ? ? ? 23 ILE G O 1 +ATOM 12086 C CB . ILE G 1 24 ? 13.449 107.578 125.711 1.00 18.20 ? ? ? ? ? ? 23 ILE G CB 1 +ATOM 12087 C CG1 . ILE G 1 24 ? 12.259 106.649 125.383 1.00 22.04 ? ? ? ? ? ? 23 ILE G CG1 1 +ATOM 12088 C CG2 . ILE G 1 24 ? 14.665 106.769 126.166 1.00 14.36 ? ? ? ? ? ? 23 ILE G CG2 1 +ATOM 12089 C CD1 . ILE G 1 24 ? 11.751 105.843 126.545 1.00 20.52 ? ? ? ? ? ? 23 ILE G CD1 1 +ATOM 12090 N N . ILE G 1 25 ? 14.942 109.521 127.957 1.00 17.65 ? ? ? ? ? ? 24 ILE G N 1 +ATOM 12091 C CA . ILE G 1 25 ? 16.095 110.338 128.224 1.00 16.83 ? ? ? ? ? ? 24 ILE G CA 1 +ATOM 12092 C C . ILE G 1 25 ? 17.353 109.457 128.153 1.00 16.89 ? ? ? ? ? ? 24 ILE G C 1 +ATOM 12093 O O . ILE G 1 25 ? 17.426 108.391 128.761 1.00 17.01 ? ? ? ? ? ? 24 ILE G O 1 +ATOM 12094 C CB . ILE G 1 25 ? 16.054 111.029 129.630 1.00 17.80 ? ? ? ? ? ? 24 ILE G CB 1 +ATOM 12095 C CG1 . ILE G 1 25 ? 14.639 111.476 130.042 1.00 23.04 ? ? ? ? ? ? 24 ILE G CG1 1 +ATOM 12096 C CG2 . ILE G 1 25 ? 16.891 112.250 129.620 1.00 13.50 ? ? ? ? ? ? 24 ILE G CG2 1 +ATOM 12097 C CD1 . ILE G 1 25 ? 14.055 112.504 129.147 1.00 19.56 ? ? ? ? ? ? 24 ILE G CD1 1 +ATOM 12098 N N . LEU G 1 26 ? 18.343 109.949 127.433 1.00 17.30 ? ? ? ? ? ? 25 LEU G N 1 +ATOM 12099 C CA . LEU G 1 26 ? 19.609 109.264 127.253 1.00 17.52 ? ? ? ? ? ? 25 LEU G CA 1 +ATOM 12100 C C . LEU G 1 26 ? 20.751 110.121 127.815 1.00 17.81 ? ? ? ? ? ? 25 LEU G C 1 +ATOM 12101 O O . LEU G 1 26 ? 21.168 111.082 127.203 1.00 18.49 ? ? ? ? ? ? 25 LEU G O 1 +ATOM 12102 C CB . LEU G 1 26 ? 19.827 108.971 125.762 1.00 18.36 ? ? ? ? ? ? 25 LEU G CB 1 +ATOM 12103 C CG . LEU G 1 26 ? 21.099 108.184 125.386 1.00 16.76 ? ? ? ? ? ? 25 LEU G CG 1 +ATOM 12104 C CD1 . LEU G 1 26 ? 21.138 106.763 126.015 1.00 11.81 ? ? ? ? ? ? 25 LEU G CD1 1 +ATOM 12105 C CD2 . LEU G 1 26 ? 21.260 108.122 123.873 1.00 18.37 ? ? ? ? ? ? 25 LEU G CD2 1 +ATOM 12106 N N . PRO G 1 27 ? 21.234 109.788 129.014 1.00 18.79 ? ? ? ? ? ? 26 PRO G N 1 +ATOM 12107 C CA . PRO G 1 27 ? 22.395 110.489 129.471 1.00 18.47 ? ? ? ? ? ? 26 PRO G CA 1 +ATOM 12108 C C . PRO G 1 27 ? 23.585 109.997 128.657 1.00 18.73 ? ? ? ? ? ? 26 PRO G C 1 +ATOM 12109 O O . PRO G 1 27 ? 23.675 108.809 128.352 1.00 18.62 ? ? ? ? ? ? 26 PRO G O 1 +ATOM 12110 C CB . PRO G 1 27 ? 22.497 110.090 130.960 1.00 20.89 ? ? ? ? ? ? 26 PRO G CB 1 +ATOM 12111 C CG . PRO G 1 27 ? 21.255 109.302 131.278 1.00 19.34 ? ? ? ? ? ? 26 PRO G CG 1 +ATOM 12112 C CD . PRO G 1 27 ? 20.772 108.778 129.988 1.00 20.45 ? ? ? ? ? ? 26 PRO G CD 1 +ATOM 12113 N N . TRP G 1 28 ? 24.453 110.916 128.258 1.00 18.86 ? ? ? ? ? ? 27 TRP G N 1 +ATOM 12114 C CA . TRP G 1 28 ? 25.615 110.578 127.446 1.00 17.22 ? ? ? ? ? ? 27 TRP G CA 1 +ATOM 12115 C C . TRP G 1 28 ? 26.795 111.317 128.027 1.00 16.45 ? ? ? ? ? ? 27 TRP G C 1 +ATOM 12116 O O . TRP G 1 28 ? 26.853 112.537 127.986 1.00 16.84 ? ? ? ? ? ? 27 TRP G O 1 +ATOM 12117 C CB . TRP G 1 28 ? 25.400 110.940 125.991 1.00 15.96 ? ? ? ? ? ? 27 TRP G CB 1 +ATOM 12118 C CG . TRP G 1 28 ? 26.265 110.207 125.016 1.00 14.73 ? ? ? ? ? ? 27 TRP G CG 1 +ATOM 12119 C CD1 . TRP G 1 28 ? 27.610 110.065 125.066 1.00 17.54 ? ? ? ? ? ? 27 TRP G CD1 1 +ATOM 12120 C CD2 . TRP G 1 28 ? 25.832 109.529 123.810 1.00 14.05 ? ? ? ? ? ? 27 TRP G CD2 1 +ATOM 12121 N NE1 . TRP G 1 28 ? 28.049 109.320 124.002 1.00 13.98 ? ? ? ? ? ? 27 TRP G NE1 1 +ATOM 12122 C CE2 . TRP G 1 28 ? 26.980 109.000 123.201 1.00 16.79 ? ? ? ? ? ? 27 TRP G CE2 1 +ATOM 12123 C CE3 . TRP G 1 28 ? 24.571 109.317 123.201 1.00 17.84 ? ? ? ? ? ? 27 TRP G CE3 1 +ATOM 12124 C CZ2 . TRP G 1 28 ? 26.930 108.248 122.011 1.00 17.80 ? ? ? ? ? ? 27 TRP G CZ2 1 +ATOM 12125 C CZ3 . TRP G 1 28 ? 24.517 108.565 122.031 1.00 18.26 ? ? ? ? ? ? 27 TRP G CZ3 1 +ATOM 12126 C CH2 . TRP G 1 28 ? 25.703 108.038 121.444 1.00 16.32 ? ? ? ? ? ? 27 TRP G CH2 1 +ATOM 12127 N N . GLY G 1 29 ? 27.730 110.545 128.557 1.00 16.03 ? ? ? ? ? ? 28 GLY G N 1 +ATOM 12128 C CA . GLY G 1 29 ? 28.891 111.063 129.222 1.00 16.75 ? ? ? ? ? ? 28 GLY G CA 1 +ATOM 12129 C C . GLY G 1 29 ? 30.183 110.806 128.480 1.00 16.86 ? ? ? ? ? ? 28 GLY G C 1 +ATOM 12130 O O . GLY G 1 29 ? 30.287 111.068 127.273 1.00 16.48 ? ? ? ? ? ? 28 GLY G O 1 +ATOM 12131 N N . ALA G 1 30 ? 31.150 110.301 129.240 1.00 17.38 ? ? ? ? ? ? 29 ALA G N 1 +ATOM 12132 C CA . ALA G 1 30 ? 32.532 110.064 128.817 1.00 17.19 ? ? ? ? ? ? 29 ALA G CA 1 +ATOM 12133 C C . ALA G 1 30 ? 33.280 109.312 129.932 1.00 18.03 ? ? ? ? ? ? 29 ALA G C 1 +ATOM 12134 O O . ALA G 1 30 ? 32.814 109.298 131.068 1.00 18.65 ? ? ? ? ? ? 29 ALA G O 1 +ATOM 12135 C CB . ALA G 1 30 ? 33.243 111.374 128.528 1.00 13.38 ? ? ? ? ? ? 29 ALA G CB 1 +ATOM 12136 N N . THR G 1 31 ? 34.430 108.704 129.585 1.00 18.77 ? ? ? ? ? ? 30 THR G N 1 +ATOM 12137 C CA . THR G 1 31 ? 35.319 108.029 130.526 1.00 18.54 ? ? ? ? ? ? 30 THR G CA 1 +ATOM 12138 C C . THR G 1 31 ? 36.595 108.853 130.445 1.00 19.80 ? ? ? ? ? ? 30 THR G C 1 +ATOM 12139 O O . THR G 1 31 ? 37.356 108.768 129.480 1.00 18.55 ? ? ? ? ? ? 30 THR G O 1 +ATOM 12140 C CB . THR G 1 31 ? 35.487 106.518 130.160 1.00 18.78 ? ? ? ? ? ? 30 THR G CB 1 +ATOM 12141 O OG1 . THR G 1 31 ? 34.195 105.915 130.120 1.00 19.47 ? ? ? ? ? ? 30 THR G OG1 1 +ATOM 12142 C CG2 . THR G 1 31 ? 36.364 105.747 131.175 1.00 13.87 ? ? ? ? ? ? 30 THR G CG2 1 +ATOM 12143 N N . GLU G 1 32 ? 36.779 109.710 131.448 1.00 20.38 ? ? ? ? ? ? 31 GLU G N 1 +ATOM 12144 C CA . GLU G 1 32 ? 37.672 110.868 131.326 1.00 20.55 ? ? ? ? ? ? 31 GLU G CA 1 +ATOM 12145 C C . GLU G 1 32 ? 38.239 111.325 132.683 1.00 21.20 ? ? ? ? ? ? 31 GLU G C 1 +ATOM 12146 O O . GLU G 1 32 ? 37.477 111.536 133.642 1.00 21.30 ? ? ? ? ? ? 31 GLU G O 1 +ATOM 12147 C CB . GLU G 1 32 ? 36.884 112.020 130.680 1.00 19.60 ? ? ? ? ? ? 31 GLU G CB 1 +ATOM 12148 C CG . GLU G 1 32 ? 37.713 113.193 130.233 1.00 22.95 ? ? ? ? ? ? 31 GLU G CG 1 +ATOM 12149 C CD . GLU G 1 32 ? 36.884 114.388 129.792 1.00 22.51 ? ? ? ? ? ? 31 GLU G CD 1 +ATOM 12150 O OE1 . GLU G 1 32 ? 35.740 114.498 130.278 1.00 26.06 ? ? ? ? ? ? 31 GLU G OE1 1 +ATOM 12151 O OE2 . GLU G 1 32 ? 37.385 115.229 129.002 1.00 25.08 ? ? ? ? ? ? 31 GLU G OE2 1 +ATOM 12152 N N . PRO G 1 33 ? 39.575 111.466 132.786 1.00 22.28 ? ? ? ? ? ? 32 PRO G N 1 +ATOM 12153 C CA . PRO G 1 33 ? 40.107 112.077 134.007 1.00 22.49 ? ? ? ? ? ? 32 PRO G CA 1 +ATOM 12154 C C . PRO G 1 33 ? 39.506 113.477 134.262 1.00 21.28 ? ? ? ? ? ? 32 PRO G C 1 +ATOM 12155 O O . PRO G 1 33 ? 39.243 114.233 133.327 1.00 20.03 ? ? ? ? ? ? 32 PRO G O 1 +ATOM 12156 C CB . PRO G 1 33 ? 41.612 112.187 133.720 1.00 23.40 ? ? ? ? ? ? 32 PRO G CB 1 +ATOM 12157 C CG . PRO G 1 33 ? 41.890 111.101 132.713 1.00 23.13 ? ? ? ? ? ? 32 PRO G CG 1 +ATOM 12158 C CD . PRO G 1 33 ? 40.650 111.045 131.867 1.00 23.32 ? ? ? ? ? ? 32 PRO G CD 1 +ATOM 12159 N N . HIS G 1 34 ? 39.274 113.773 135.538 1.00 20.75 ? ? ? ? ? ? 33 HIS G N 1 +ATOM 12160 C CA . HIS G 1 34 ? 38.635 115.005 135.973 1.00 19.80 ? ? ? ? ? ? 33 HIS G CA 1 +ATOM 12161 C C . HIS G 1 34 ? 39.434 115.593 137.119 1.00 20.74 ? ? ? ? ? ? 33 HIS G C 1 +ATOM 12162 O O . HIS G 1 34 ? 39.094 115.412 138.296 1.00 18.59 ? ? ? ? ? ? 33 HIS G O 1 +ATOM 12163 C CB . HIS G 1 34 ? 37.208 114.716 136.401 1.00 20.07 ? ? ? ? ? ? 33 HIS G CB 1 +ATOM 12164 C CG . HIS G 1 34 ? 36.184 114.828 135.301 1.00 18.61 ? ? ? ? ? ? 33 HIS G CG 1 +ATOM 12165 N ND1 . HIS G 1 34 ? 35.995 113.852 134.338 1.00 17.29 ? ? ? ? ? ? 33 HIS G ND1 1 +ATOM 12166 C CD2 . HIS G 1 34 ? 35.210 115.750 135.097 1.00 19.27 ? ? ? ? ? ? 33 HIS G CD2 1 +ATOM 12167 C CE1 . HIS G 1 34 ? 34.977 114.198 133.564 1.00 23.50 ? ? ? ? ? ? 33 HIS G CE1 1 +ATOM 12168 N NE2 . HIS G 1 34 ? 34.493 115.354 133.989 1.00 18.87 ? ? ? ? ? ? 33 HIS G NE2 1 +ATOM 12169 N N . ASN G 1 35 ? 40.528 116.278 136.767 1.00 21.35 ? ? ? ? ? ? 34 ASN G N 1 +ATOM 12170 C CA . ASN G 1 35 ? 41.476 116.712 137.767 1.00 22.28 ? ? ? ? ? ? 34 ASN G CA 1 +ATOM 12171 C C . ASN G 1 35 ? 41.883 115.427 138.519 1.00 23.42 ? ? ? ? ? ? 34 ASN G C 1 +ATOM 12172 O O . ASN G 1 35 ? 41.738 114.317 137.985 1.00 24.36 ? ? ? ? ? ? 34 ASN G O 1 +ATOM 12173 C CB . ASN G 1 35 ? 40.820 117.811 138.672 1.00 23.04 ? ? ? ? ? ? 34 ASN G CB 1 +ATOM 12174 C CG . ASN G 1 35 ? 41.841 118.679 139.410 1.00 23.58 ? ? ? ? ? ? 34 ASN G CG 1 +ATOM 12175 O OD1 . ASN G 1 35 ? 42.874 118.172 139.863 1.00 24.49 ? ? ? ? ? ? 34 ASN G OD1 1 +ATOM 12176 N ND2 . ASN G 1 35 ? 41.567 119.986 139.517 1.00 21.77 ? ? ? ? ? ? 34 ASN G ND2 1 +ATOM 12177 N N . LEU G 1 36 ? 42.359 115.556 139.750 1.00 23.91 ? ? ? ? ? ? 35 LEU G N 1 +ATOM 12178 C CA . LEU G 1 36 ? 42.774 114.392 140.565 1.00 23.03 ? ? ? ? ? ? 35 LEU G CA 1 +ATOM 12179 C C . LEU G 1 36 ? 41.661 113.797 141.412 1.00 22.24 ? ? ? ? ? ? 35 LEU G C 1 +ATOM 12180 O O . LEU G 1 36 ? 41.762 112.650 141.844 1.00 24.28 ? ? ? ? ? ? 35 LEU G O 1 +ATOM 12181 C CB . LEU G 1 36 ? 43.965 114.779 141.458 1.00 21.62 ? ? ? ? ? ? 35 LEU G CB 1 +ATOM 12182 C CG . LEU G 1 36 ? 45.147 115.344 140.648 1.00 22.86 ? ? ? ? ? ? 35 LEU G CG 1 +ATOM 12183 C CD1 . LEU G 1 36 ? 46.272 115.906 141.513 1.00 23.38 ? ? ? ? ? ? 35 LEU G CD1 1 +ATOM 12184 C CD2 . LEU G 1 36 ? 45.661 114.313 139.680 1.00 21.75 ? ? ? ? ? ? 35 LEU G CD2 1 +ATOM 12185 N N . HIS G 1 37 ? 40.579 114.550 141.605 1.00 22.18 ? ? ? ? ? ? 36 HIS G N 1 +ATOM 12186 C CA . HIS G 1 37 ? 39.609 114.275 142.682 1.00 22.13 ? ? ? ? ? ? 36 HIS G CA 1 +ATOM 12187 C C . HIS G 1 37 ? 38.245 113.721 142.239 1.00 22.51 ? ? ? ? ? ? 36 HIS G C 1 +ATOM 12188 O O . HIS G 1 37 ? 37.515 113.118 143.052 1.00 22.63 ? ? ? ? ? ? 36 HIS G O 1 +ATOM 12189 C CB . HIS G 1 37 ? 39.378 115.543 143.511 1.00 23.93 ? ? ? ? ? ? 36 HIS G CB 1 +ATOM 12190 C CG . HIS G 1 37 ? 38.758 116.685 142.750 1.00 22.57 ? ? ? ? ? ? 36 HIS G CG 1 +ATOM 12191 N ND1 . HIS G 1 37 ? 39.334 117.225 141.617 1.00 21.44 ? ? ? ? ? ? 36 HIS G ND1 1 +ATOM 12192 C CD2 . HIS G 1 37 ? 37.656 117.446 143.009 1.00 22.41 ? ? ? ? ? ? 36 HIS G CD2 1 +ATOM 12193 C CE1 . HIS G 1 37 ? 38.584 118.229 141.177 1.00 21.50 ? ? ? ? ? ? 36 HIS G CE1 1 +ATOM 12194 N NE2 . HIS G 1 37 ? 37.553 118.380 141.998 1.00 21.11 ? ? ? ? ? ? 36 HIS G NE2 1 +ATOM 12195 N N . LEU G 1 38 ? 37.892 113.946 140.968 1.00 21.29 ? ? ? ? ? ? 37 LEU G N 1 +ATOM 12196 C CA . LEU G 1 38 ? 36.551 113.624 140.519 1.00 20.48 ? ? ? ? ? ? 37 LEU G CA 1 +ATOM 12197 C C . LEU G 1 38 ? 36.556 112.292 139.789 1.00 19.93 ? ? ? ? ? ? 37 LEU G C 1 +ATOM 12198 O O . LEU G 1 38 ? 37.560 111.933 139.158 1.00 19.92 ? ? ? ? ? ? 37 LEU G O 1 +ATOM 12199 C CB . LEU G 1 38 ? 36.015 114.732 139.630 1.00 18.45 ? ? ? ? ? ? 37 LEU G CB 1 +ATOM 12200 C CG . LEU G 1 38 ? 35.359 115.904 140.380 1.00 20.96 ? ? ? ? ? ? 37 LEU G CG 1 +ATOM 12201 C CD1 . LEU G 1 38 ? 35.037 116.989 139.390 1.00 13.60 ? ? ? ? ? ? 37 LEU G CD1 1 +ATOM 12202 C CD2 . LEU G 1 38 ? 34.128 115.476 141.167 1.00 20.35 ? ? ? ? ? ? 37 LEU G CD2 1 +ATOM 12203 N N . PRO G 1 39 ? 35.435 111.561 139.871 1.00 21.14 ? ? ? ? ? ? 38 PRO G N 1 +ATOM 12204 C CA . PRO G 1 39 ? 35.392 110.284 139.169 1.00 21.04 ? ? ? ? ? ? 38 PRO G CA 1 +ATOM 12205 C C . PRO G 1 39 ? 35.598 110.349 137.636 1.00 19.83 ? ? ? ? ? ? 38 PRO G C 1 +ATOM 12206 O O . PRO G 1 39 ? 35.206 111.324 136.974 1.00 18.50 ? ? ? ? ? ? 38 PRO G O 1 +ATOM 12207 C CB . PRO G 1 39 ? 33.990 109.751 139.484 1.00 22.66 ? ? ? ? ? ? 38 PRO G CB 1 +ATOM 12208 C CG . PRO G 1 39 ? 33.518 110.520 140.643 1.00 24.15 ? ? ? ? ? ? 38 PRO G CG 1 +ATOM 12209 C CD . PRO G 1 39 ? 34.185 111.830 140.614 1.00 18.06 ? ? ? ? ? ? 38 PRO G CD 1 +ATOM 12210 N N . TYR G 1 40 ? 36.208 109.286 137.098 1.00 19.01 ? ? ? ? ? ? 39 TYR G N 1 +ATOM 12211 C CA . TYR G 1 40 ? 36.298 109.100 135.665 1.00 19.08 ? ? ? ? ? ? 39 TYR G CA 1 +ATOM 12212 C C . TYR G 1 40 ? 34.967 109.147 134.954 1.00 18.21 ? ? ? ? ? ? 39 TYR G C 1 +ATOM 12213 O O . TYR G 1 40 ? 34.911 109.575 133.815 1.00 18.90 ? ? ? ? ? ? 39 TYR G O 1 +ATOM 12214 C CB . TYR G 1 40 ? 36.969 107.762 135.313 1.00 20.72 ? ? ? ? ? ? 39 TYR G CB 1 +ATOM 12215 C CG . TYR G 1 40 ? 38.476 107.804 135.290 1.00 18.66 ? ? ? ? ? ? 39 TYR G CG 1 +ATOM 12216 C CD1 . TYR G 1 40 ? 39.198 107.611 136.436 1.00 19.68 ? ? ? ? ? ? 39 TYR G CD1 1 +ATOM 12217 C CD2 . TYR G 1 40 ? 39.170 107.957 134.087 1.00 15.74 ? ? ? ? ? ? 39 TYR G CD2 1 +ATOM 12218 C CE1 . TYR G 1 40 ? 40.615 107.601 136.417 1.00 19.87 ? ? ? ? ? ? 39 TYR G CE1 1 +ATOM 12219 C CE2 . TYR G 1 40 ? 40.559 107.929 134.053 1.00 21.33 ? ? ? ? ? ? 39 TYR G CE2 1 +ATOM 12220 C CZ . TYR G 1 40 ? 41.283 107.760 135.249 1.00 22.56 ? ? ? ? ? ? 39 TYR G CZ 1 +ATOM 12221 O OH . TYR G 1 40 ? 42.684 107.727 135.243 1.00 23.77 ? ? ? ? ? ? 39 TYR G OH 1 +ATOM 12222 N N . LEU G 1 41 ? 33.908 108.687 135.609 1.00 18.28 ? ? ? ? ? ? 40 LEU G N 1 +ATOM 12223 C CA . LEU G 1 41 ? 32.550 108.641 135.016 1.00 17.35 ? ? ? ? ? ? 40 LEU G CA 1 +ATOM 12224 C C . LEU G 1 41 ? 31.680 109.842 135.407 1.00 18.14 ? ? ? ? ? ? 40 LEU G C 1 +ATOM 12225 O O . LEU G 1 41 ? 30.430 109.817 135.258 1.00 18.37 ? ? ? ? ? ? 40 LEU G O 1 +ATOM 12226 C CB . LEU G 1 41 ? 31.874 107.328 135.426 1.00 17.99 ? ? ? ? ? ? 40 LEU G CB 1 +ATOM 12227 C CG . LEU G 1 41 ? 32.347 106.036 134.726 1.00 20.83 ? ? ? ? ? ? 40 LEU G CG 1 +ATOM 12228 C CD1 . LEU G 1 41 ? 31.563 104.863 135.281 1.00 21.41 ? ? ? ? ? ? 40 LEU G CD1 1 +ATOM 12229 C CD2 . LEU G 1 41 ? 32.127 106.145 133.209 1.00 19.00 ? ? ? ? ? ? 40 LEU G CD2 1 +ATOM 12230 N N . THR G 1 42 ? 32.321 110.905 135.921 1.00 19.20 ? ? ? ? ? ? 41 THR G N 1 +ATOM 12231 C CA . THR G 1 42 ? 31.622 112.187 136.204 1.00 18.53 ? ? ? ? ? ? 41 THR G CA 1 +ATOM 12232 C C . THR G 1 42 ? 30.588 112.600 135.150 1.00 18.90 ? ? ? ? ? ? 41 THR G C 1 +ATOM 12233 O O . THR G 1 42 ? 29.443 112.987 135.494 1.00 18.43 ? ? ? ? ? ? 41 THR G O 1 +ATOM 12234 C CB . THR G 1 42 ? 32.657 113.329 136.391 1.00 17.98 ? ? ? ? ? ? 41 THR G CB 1 +ATOM 12235 O OG1 . THR G 1 42 ? 33.398 113.100 137.598 1.00 15.70 ? ? ? ? ? ? 41 THR G OG1 1 +ATOM 12236 C CG2 . THR G 1 42 ? 31.987 114.677 136.516 1.00 14.48 ? ? ? ? ? ? 41 THR G CG2 1 +ATOM 12237 N N . ASP G 1 43 ? 30.967 112.533 133.873 1.00 19.09 ? ? ? ? ? ? 42 ASP G N 1 +ATOM 12238 C CA . ASP G 1 43 ? 30.067 112.977 132.781 1.00 18.00 ? ? ? ? ? ? 42 ASP G CA 1 +ATOM 12239 C C . ASP G 1 43 ? 28.888 112.094 132.503 1.00 18.42 ? ? ? ? ? ? 42 ASP G C 1 +ATOM 12240 O O . ASP G 1 43 ? 27.920 112.546 131.861 1.00 18.62 ? ? ? ? ? ? 42 ASP G O 1 +ATOM 12241 C CB . ASP G 1 43 ? 30.838 113.203 131.494 1.00 20.53 ? ? ? ? ? ? 42 ASP G CB 1 +ATOM 12242 C CG . ASP G 1 43 ? 31.859 114.296 131.637 1.00 20.45 ? ? ? ? ? ? 42 ASP G CG 1 +ATOM 12243 O OD1 . ASP G 1 43 ? 31.847 114.964 132.697 1.00 21.94 ? ? ? ? ? ? 42 ASP G OD1 1 +ATOM 12244 O OD2 . ASP G 1 43 ? 32.674 114.479 130.721 1.00 18.45 ? ? ? ? ? ? 42 ASP G OD2 1 +ATOM 12245 N N . CYS G 1 44 ? 28.924 110.862 132.999 1.00 18.65 ? ? ? ? ? ? 43 CYS G N 1 +ATOM 12246 C CA . CYS G 1 44 ? 27.762 109.973 132.996 1.00 19.82 ? ? ? ? ? ? 43 CYS G CA 1 +ATOM 12247 C C . CYS G 1 44 ? 26.861 110.150 134.220 1.00 19.55 ? ? ? ? ? ? 43 CYS G C 1 +ATOM 12248 O O . CYS G 1 44 ? 25.629 110.213 134.107 1.00 18.63 ? ? ? ? ? ? 43 CYS G O 1 +ATOM 12249 C CB . CYS G 1 44 ? 28.230 108.528 132.987 1.00 20.62 ? ? ? ? ? ? 43 CYS G CB 1 +ATOM 12250 S SG . CYS G 1 44 ? 29.090 108.015 131.534 1.00 23.85 ? ? ? ? ? ? 43 CYS G SG 1 +ATOM 12251 N N . ILE G 1 45 ? 27.497 110.182 135.393 1.00 18.81 ? ? ? ? ? ? 44 ILE G N 1 +ATOM 12252 C CA . ILE G 1 45 ? 26.786 110.253 136.693 1.00 19.02 ? ? ? ? ? ? 44 ILE G CA 1 +ATOM 12253 C C . ILE G 1 45 ? 25.901 111.502 136.806 1.00 19.29 ? ? ? ? ? ? 44 ILE G C 1 +ATOM 12254 O O . ILE G 1 45 ? 24.748 111.426 137.211 1.00 20.60 ? ? ? ? ? ? 44 ILE G O 1 +ATOM 12255 C CB . ILE G 1 45 ? 27.833 110.182 137.897 1.00 17.85 ? ? ? ? ? ? 44 ILE G CB 1 +ATOM 12256 C CG1 . ILE G 1 45 ? 28.508 108.806 137.923 1.00 20.63 ? ? ? ? ? ? 44 ILE G CG1 1 +ATOM 12257 C CG2 . ILE G 1 45 ? 27.189 110.481 139.263 1.00 17.07 ? ? ? ? ? ? 44 ILE G CG2 1 +ATOM 12258 C CD1 . ILE G 1 45 ? 29.833 108.695 138.765 1.00 16.23 ? ? ? ? ? ? 44 ILE G CD1 1 +ATOM 12259 N N . LEU G 1 46 ? 26.440 112.650 136.425 1.00 19.19 ? ? ? ? ? ? 45 LEU G N 1 +ATOM 12260 C CA . LEU G 1 46 ? 25.770 113.930 136.652 1.00 19.02 ? ? ? ? ? ? 45 LEU G CA 1 +ATOM 12261 C C . LEU G 1 46 ? 24.521 114.087 135.794 1.00 18.33 ? ? ? ? ? ? 45 LEU G C 1 +ATOM 12262 O O . LEU G 1 46 ? 23.462 114.303 136.344 1.00 18.42 ? ? ? ? ? ? 45 LEU G O 1 +ATOM 12263 C CB . LEU G 1 46 ? 26.740 115.100 136.486 1.00 19.82 ? ? ? ? ? ? 45 LEU G CB 1 +ATOM 12264 C CG . LEU G 1 46 ? 27.815 115.193 137.590 1.00 21.06 ? ? ? ? ? ? 45 LEU G CG 1 +ATOM 12265 C CD1 . LEU G 1 46 ? 28.564 116.521 137.462 1.00 17.64 ? ? ? ? ? ? 45 LEU G CD1 1 +ATOM 12266 C CD2 . LEU G 1 46 ? 27.249 114.958 139.038 1.00 17.25 ? ? ? ? ? ? 45 LEU G CD2 1 +ATOM 12267 N N . PRO G 1 47 ? 24.618 113.901 134.457 1.00 19.06 ? ? ? ? ? ? 46 PRO G N 1 +ATOM 12268 C CA . PRO G 1 47 ? 23.355 113.967 133.705 1.00 18.26 ? ? ? ? ? ? 46 PRO G CA 1 +ATOM 12269 C C . PRO G 1 47 ? 22.400 112.827 134.027 1.00 18.40 ? ? ? ? ? ? 46 PRO G C 1 +ATOM 12270 O O . PRO G 1 47 ? 21.204 112.997 133.902 1.00 20.82 ? ? ? ? ? ? 46 PRO G O 1 +ATOM 12271 C CB . PRO G 1 47 ? 23.806 113.942 132.246 1.00 21.07 ? ? ? ? ? ? 46 PRO G CB 1 +ATOM 12272 C CG . PRO G 1 47 ? 25.163 113.321 132.264 1.00 17.38 ? ? ? ? ? ? 46 PRO G CG 1 +ATOM 12273 C CD . PRO G 1 47 ? 25.782 113.652 133.574 1.00 16.47 ? ? ? ? ? ? 46 PRO G CD 1 +ATOM 12274 N N . HIS G 1 48 ? 22.898 111.679 134.488 1.00 19.83 ? ? ? ? ? ? 47 HIS G N 1 +ATOM 12275 C CA . HIS G 1 48 ? 21.977 110.634 134.948 1.00 21.19 ? ? ? ? ? ? 47 HIS G CA 1 +ATOM 12276 C C . HIS G 1 48 ? 21.160 111.078 136.159 1.00 19.34 ? ? ? ? ? ? 47 HIS G C 1 +ATOM 12277 O O . HIS G 1 48 ? 19.960 110.873 136.204 1.00 19.29 ? ? ? ? ? ? 47 HIS G O 1 +ATOM 12278 C CB . HIS G 1 48 ? 22.707 109.342 135.309 1.00 22.62 ? ? ? ? ? ? 47 HIS G CB 1 +ATOM 12279 C CG . HIS G 1 48 ? 21.810 108.314 135.934 1.00 16.63 ? ? ? ? ? ? 47 HIS G CG 1 +ATOM 12280 N ND1 . HIS G 1 48 ? 21.660 108.186 137.303 1.00 26.54 ? ? ? ? ? ? 47 HIS G ND1 1 +ATOM 12281 C CD2 . HIS G 1 48 ? 21.029 107.357 135.384 1.00 23.63 ? ? ? ? ? ? 47 HIS G CD2 1 +ATOM 12282 C CE1 . HIS G 1 48 ? 20.809 107.208 137.564 1.00 24.79 ? ? ? ? ? ? 47 HIS G CE1 1 +ATOM 12283 N NE2 . HIS G 1 48 ? 20.411 106.686 136.416 1.00 24.60 ? ? ? ? ? ? 47 HIS G NE2 1 +ATOM 12284 N N . ASP G 1 49 ? 21.840 111.630 137.153 1.00 20.93 ? ? ? ? ? ? 48 ASP G N 1 +ATOM 12285 C CA . ASP G 1 49 ? 21.227 111.988 138.431 1.00 21.06 ? ? ? ? ? ? 48 ASP G CA 1 +ATOM 12286 C C . ASP G 1 49 ? 20.280 113.166 138.267 1.00 20.56 ? ? ? ? ? ? 48 ASP G C 1 +ATOM 12287 O O . ASP G 1 49 ? 19.174 113.152 138.792 1.00 21.22 ? ? ? ? ? ? 48 ASP G O 1 +ATOM 12288 C CB . ASP G 1 49 ? 22.304 112.260 139.490 1.00 22.39 ? ? ? ? ? ? 48 ASP G CB 1 +ATOM 12289 C CG . ASP G 1 49 ? 22.964 110.964 140.036 1.00 26.37 ? ? ? ? ? ? 48 ASP G CG 1 +ATOM 12290 O OD1 . ASP G 1 49 ? 22.536 109.829 139.680 1.00 30.72 ? ? ? ? ? ? 48 ASP G OD1 1 +ATOM 12291 O OD2 . ASP G 1 49 ? 23.935 111.099 140.814 1.00 28.18 ? ? ? ? ? ? 48 ASP G OD2 1 +ATOM 12292 N N . ILE G 1 50 ? 20.705 114.148 137.479 1.00 19.93 ? ? ? ? ? ? 49 ILE G N 1 +ATOM 12293 C CA . ILE G 1 50 ? 19.863 115.259 137.076 1.00 18.47 ? ? ? ? ? ? 49 ILE G CA 1 +ATOM 12294 C C . ILE G 1 50 ? 18.643 114.801 136.299 1.00 19.40 ? ? ? ? ? ? 49 ILE G C 1 +ATOM 12295 O O . ILE G 1 50 ? 17.517 115.218 136.613 1.00 20.59 ? ? ? ? ? ? 49 ILE G O 1 +ATOM 12296 C CB . ILE G 1 50 ? 20.678 116.303 136.309 1.00 19.08 ? ? ? ? ? ? 49 ILE G CB 1 +ATOM 12297 C CG1 . ILE G 1 50 ? 21.690 116.999 137.230 1.00 19.33 ? ? ? ? ? ? 49 ILE G CG1 1 +ATOM 12298 C CG2 . ILE G 1 50 ? 19.814 117.349 135.625 1.00 17.78 ? ? ? ? ? ? 49 ILE G CG2 1 +ATOM 12299 C CD1 . ILE G 1 50 ? 22.722 117.782 136.445 1.00 20.58 ? ? ? ? ? ? 49 ILE G CD1 1 +ATOM 12300 N N . ALA G 1 51 ? 18.818 113.933 135.316 1.00 19.69 ? ? ? ? ? ? 50 ALA G N 1 +ATOM 12301 C CA . ALA G 1 51 ? 17.660 113.472 134.517 1.00 19.58 ? ? ? ? ? ? 50 ALA G CA 1 +ATOM 12302 C C . ALA G 1 51 ? 16.631 112.731 135.359 1.00 19.03 ? ? ? ? ? ? 50 ALA G C 1 +ATOM 12303 O O . ALA G 1 51 ? 15.418 112.908 135.158 1.00 20.43 ? ? ? ? ? ? 50 ALA G O 1 +ATOM 12304 C CB . ALA G 1 51 ? 18.106 112.622 133.317 1.00 17.91 ? ? ? ? ? ? 50 ALA G CB 1 +ATOM 12305 N N . VAL G 1 52 ? 17.090 111.889 136.272 1.00 19.52 ? ? ? ? ? ? 51 VAL G N 1 +ATOM 12306 C CA . VAL G 1 52 ? 16.195 111.131 137.146 1.00 20.22 ? ? ? ? ? ? 51 VAL G CA 1 +ATOM 12307 C C . VAL G 1 52 ? 15.362 112.078 138.059 1.00 20.90 ? ? ? ? ? ? 51 VAL G C 1 +ATOM 12308 O O . VAL G 1 52 ? 14.137 111.940 138.155 1.00 21.02 ? ? ? ? ? ? 51 VAL G O 1 +ATOM 12309 C CB . VAL G 1 52 ? 16.988 110.068 137.947 1.00 22.01 ? ? ? ? ? ? 51 VAL G CB 1 +ATOM 12310 C CG1 . VAL G 1 52 ? 16.189 109.499 139.116 1.00 18.14 ? ? ? ? ? ? 51 VAL G CG1 1 +ATOM 12311 C CG2 . VAL G 1 52 ? 17.452 108.920 137.006 1.00 20.70 ? ? ? ? ? ? 51 VAL G CG2 1 +ATOM 12312 N N . GLU G 1 53 ? 16.004 113.076 138.661 1.00 21.22 ? ? ? ? ? ? 52 GLU G N 1 +ATOM 12313 C CA . GLU G 1 53 ? 15.272 114.117 139.409 1.00 20.44 ? ? ? ? ? ? 52 GLU G CA 1 +ATOM 12314 C C . GLU G 1 53 ? 14.213 114.803 138.562 1.00 21.42 ? ? ? ? ? ? 52 GLU G C 1 +ATOM 12315 O O . GLU G 1 53 ? 13.065 114.928 138.989 1.00 22.48 ? ? ? ? ? ? 52 GLU G O 1 +ATOM 12316 C CB . GLU G 1 53 ? 16.214 115.172 139.931 1.00 20.25 ? ? ? ? ? ? 52 GLU G CB 1 +ATOM 12317 C CG . GLU G 1 53 ? 16.896 114.873 141.248 1.00 31.60 ? ? ? ? ? ? 52 GLU G CG 1 +ATOM 12318 C CD . GLU G 1 53 ? 17.288 116.166 141.978 1.00 36.07 ? ? ? ? ? ? 52 GLU G CD 1 +ATOM 12319 O OE1 . GLU G 1 53 ? 18.483 116.544 141.961 1.00 38.93 ? ? ? ? ? ? 52 GLU G OE1 1 +ATOM 12320 O OE2 . GLU G 1 53 ? 16.386 116.842 142.525 1.00 44.91 ? ? ? ? ? ? 52 GLU G OE2 1 +ATOM 12321 N N . ALA G 1 54 ? 14.604 115.246 137.361 1.00 20.86 ? ? ? ? ? ? 53 ALA G N 1 +ATOM 12322 C CA . ALA G 1 54 ? 13.686 115.922 136.421 1.00 19.26 ? ? ? ? ? ? 53 ALA G CA 1 +ATOM 12323 C C . ALA G 1 54 ? 12.512 115.041 135.997 1.00 20.09 ? ? ? ? ? ? 53 ALA G C 1 +ATOM 12324 O O . ALA G 1 54 ? 11.374 115.534 135.921 1.00 21.06 ? ? ? ? ? ? 53 ALA G O 1 +ATOM 12325 C CB . ALA G 1 54 ? 14.448 116.488 135.207 1.00 20.38 ? ? ? ? ? ? 53 ALA G CB 1 +ATOM 12326 N N . ALA G 1 55 ? 12.762 113.750 135.801 1.00 20.00 ? ? ? ? ? ? 54 ALA G N 1 +ATOM 12327 C CA . ALA G 1 55 ? 11.722 112.779 135.463 1.00 20.90 ? ? ? ? ? ? 54 ALA G CA 1 +ATOM 12328 C C . ALA G 1 55 ? 10.762 112.540 136.627 1.00 21.13 ? ? ? ? ? ? 54 ALA G C 1 +ATOM 12329 O O . ALA G 1 55 ? 9.544 112.426 136.429 1.00 21.93 ? ? ? ? ? ? 54 ALA G O 1 +ATOM 12330 C CB . ALA G 1 55 ? 12.339 111.413 134.968 1.00 17.20 ? ? ? ? ? ? 54 ALA G CB 1 +ATOM 12331 N N . GLU G 1 56 ? 11.318 112.469 137.833 1.00 22.60 ? ? ? ? ? ? 55 GLU G N 1 +ATOM 12332 C CA . GLU G 1 56 ? 10.525 112.415 139.080 1.00 24.13 ? ? ? ? ? ? 55 GLU G CA 1 +ATOM 12333 C C . GLU G 1 56 ? 9.635 113.655 139.254 1.00 23.88 ? ? ? ? ? ? 55 GLU G C 1 +ATOM 12334 O O . GLU G 1 56 ? 8.444 113.520 139.582 1.00 23.85 ? ? ? ? ? ? 55 GLU G O 1 +ATOM 12335 C CB . GLU G 1 56 ? 11.447 112.223 140.304 1.00 23.76 ? ? ? ? ? ? 55 GLU G CB 1 +ATOM 12336 C CG . GLU G 1 56 ? 11.976 110.778 140.468 1.00 25.82 ? ? ? ? ? ? 55 GLU G CG 1 +ATOM 12337 C CD . GLU G 1 56 ? 13.087 110.617 141.527 1.00 28.60 ? ? ? ? ? ? 55 GLU G CD 1 +ATOM 12338 O OE1 . GLU G 1 56 ? 13.717 111.639 141.887 1.00 35.97 ? ? ? ? ? ? 55 GLU G OE1 1 +ATOM 12339 O OE2 . GLU G 1 56 ? 13.364 109.470 141.963 1.00 34.26 ? ? ? ? ? ? 55 GLU G OE2 1 +ATOM 12340 N N . LEU G 1 57 ? 10.184 114.852 139.009 1.00 23.82 ? ? ? ? ? ? 56 LEU G N 1 +ATOM 12341 C CA . LEU G 1 57 ? 9.397 116.100 139.048 1.00 23.22 ? ? ? ? ? ? 56 LEU G CA 1 +ATOM 12342 C C . LEU G 1 57 ? 8.330 116.147 137.965 1.00 24.81 ? ? ? ? ? ? 56 LEU G C 1 +ATOM 12343 O O . LEU G 1 57 ? 7.162 116.421 138.268 1.00 25.82 ? ? ? ? ? ? 56 LEU G O 1 +ATOM 12344 C CB . LEU G 1 57 ? 10.278 117.343 138.945 1.00 25.08 ? ? ? ? ? ? 56 LEU G CB 1 +ATOM 12345 C CG . LEU G 1 57 ? 9.589 118.701 139.107 1.00 27.45 ? ? ? ? ? ? 56 LEU G CG 1 +ATOM 12346 C CD1 . LEU G 1 57 ? 8.851 118.759 140.462 1.00 26.70 ? ? ? ? ? ? 56 LEU G CD1 1 +ATOM 12347 C CD2 . LEU G 1 57 ? 10.619 119.843 138.959 1.00 21.44 ? ? ? ? ? ? 56 LEU G CD2 1 +ATOM 12348 N N . ALA G 1 58 ? 8.693 115.857 136.719 1.00 24.66 ? ? ? ? ? ? 57 ALA G N 1 +ATOM 12349 C CA . ALA G 1 58 ? 7.680 115.795 135.670 1.00 24.14 ? ? ? ? ? ? 57 ALA G CA 1 +ATOM 12350 C C . ALA G 1 58 ? 6.578 114.811 136.042 1.00 24.94 ? ? ? ? ? ? 57 ALA G C 1 +ATOM 12351 O O . ALA G 1 58 ? 5.425 115.101 135.797 1.00 26.66 ? ? ? ? ? ? 57 ALA G O 1 +ATOM 12352 C CB . ALA G 1 58 ? 8.292 115.447 134.297 1.00 25.13 ? ? ? ? ? ? 57 ALA G CB 1 +ATOM 12353 N N . LEU G 1 59 ? 6.903 113.655 136.622 1.00 24.91 ? ? ? ? ? ? 58 LEU G N 1 +ATOM 12354 C CA . LEU G 1 59 ? 5.872 112.663 136.920 1.00 25.76 ? ? ? ? ? ? 58 LEU G CA 1 +ATOM 12355 C C . LEU G 1 59 ? 4.914 113.151 138.009 1.00 26.93 ? ? ? ? ? ? 58 LEU G C 1 +ATOM 12356 O O . LEU G 1 59 ? 3.697 113.082 137.861 1.00 27.63 ? ? ? ? ? ? 58 LEU G O 1 +ATOM 12357 C CB . LEU G 1 59 ? 6.477 111.302 137.308 1.00 24.80 ? ? ? ? ? ? 58 LEU G CB 1 +ATOM 12358 C CG . LEU G 1 59 ? 5.547 110.122 137.599 1.00 25.31 ? ? ? ? ? ? 58 LEU G CG 1 +ATOM 12359 C CD1 . LEU G 1 59 ? 4.534 109.864 136.486 1.00 23.36 ? ? ? ? ? ? 58 LEU G CD1 1 +ATOM 12360 C CD2 . LEU G 1 59 ? 6.398 108.879 137.846 1.00 26.31 ? ? ? ? ? ? 58 LEU G CD2 1 +ATOM 12361 N N . SER G 1 60 ? 5.473 113.658 139.090 1.00 27.97 ? ? ? ? ? ? 59 SER G N 1 +ATOM 12362 C CA . SER G 1 60 ? 4.707 114.067 140.239 1.00 31.31 ? ? ? ? ? ? 59 SER G CA 1 +ATOM 12363 C C . SER G 1 60 ? 3.823 115.242 139.886 1.00 32.13 ? ? ? ? ? ? 59 SER G C 1 +ATOM 12364 O O . SER G 1 60 ? 2.652 115.288 140.278 1.00 34.29 ? ? ? ? ? ? 59 SER G O 1 +ATOM 12365 C CB . SER G 1 60 ? 5.645 114.446 141.386 1.00 32.02 ? ? ? ? ? ? 59 SER G CB 1 +ATOM 12366 O OG . SER G 1 60 ? 6.514 115.493 140.968 1.00 40.07 ? ? ? ? ? ? 59 SER G OG 1 +ATOM 12367 N N . ARG G 1 61 ? 4.367 116.168 139.109 1.00 31.89 ? ? ? ? ? ? 60 ARG G N 1 +ATOM 12368 C CA . ARG G 1 61 ? 3.695 117.437 138.905 1.00 32.26 ? ? ? ? ? ? 60 ARG G CA 1 +ATOM 12369 C C . ARG G 1 61 ? 2.719 117.457 137.724 1.00 31.84 ? ? ? ? ? ? 60 ARG G C 1 +ATOM 12370 O O . ARG G 1 61 ? 1.695 118.152 137.786 1.00 33.27 ? ? ? ? ? ? 60 ARG G O 1 +ATOM 12371 C CB . ARG G 1 61 ? 4.725 118.573 138.874 1.00 32.04 ? ? ? ? ? ? 60 ARG G CB 1 +ATOM 12372 C CG . ARG G 1 61 ? 4.826 119.344 137.641 1.00 36.17 ? ? ? ? ? ? 60 ARG G CG 1 +ATOM 12373 C CD . ARG G 1 61 ? 5.836 120.461 137.832 1.00 37.63 ? ? ? ? ? ? 60 ARG G CD 1 +ATOM 12374 N NE . ARG G 1 61 ? 6.594 120.697 136.618 1.00 33.93 ? ? ? ? ? ? 60 ARG G NE 1 +ATOM 12375 C CZ . ARG G 1 61 ? 7.591 121.566 136.518 1.00 35.82 ? ? ? ? ? ? 60 ARG G CZ 1 +ATOM 12376 N NH1 . ARG G 1 61 ? 7.944 122.317 137.556 1.00 37.37 ? ? ? ? ? ? 60 ARG G NH1 1 +ATOM 12377 N NH2 . ARG G 1 61 ? 8.233 121.695 135.363 1.00 36.96 ? ? ? ? ? ? 60 ARG G NH2 1 +ATOM 12378 N N . SER G 1 62 ? 2.997 116.676 136.688 1.00 30.72 ? ? ? ? ? ? 61 SER G N 1 +ATOM 12379 C CA A SER G 1 62 ? 2.157 116.659 135.500 0.50 29.34 ? ? ? ? ? ? 61 SER G CA 1 +ATOM 12380 C CA B SER G 1 62 ? 2.186 116.653 135.476 0.50 29.65 ? ? ? ? ? ? 61 SER G CA 1 +ATOM 12381 C C . SER G 1 62 ? 1.693 115.267 135.092 1.00 29.14 ? ? ? ? ? ? 61 SER G C 1 +ATOM 12382 O O . SER G 1 62 ? 0.901 115.147 134.177 1.00 29.16 ? ? ? ? ? ? 61 SER G O 1 +ATOM 12383 C CB A SER G 1 62 ? 2.890 117.309 134.326 0.50 29.64 ? ? ? ? ? ? 61 SER G CB 1 +ATOM 12384 C CB B SER G 1 62 ? 2.993 117.195 134.300 0.50 30.22 ? ? ? ? ? ? 61 SER G CB 1 +ATOM 12385 O OG A SER G 1 62 ? 3.324 118.615 134.659 0.50 27.79 ? ? ? ? ? ? 61 SER G OG 1 +ATOM 12386 O OG B SER G 1 62 ? 3.991 116.260 133.905 0.50 30.09 ? ? ? ? ? ? 61 SER G OG 1 +ATOM 12387 N N . GLY G 1 63 ? 2.171 114.220 135.763 1.00 28.31 ? ? ? ? ? ? 62 GLY G N 1 +ATOM 12388 C CA . GLY G 1 63 ? 1.847 112.843 135.352 1.00 28.38 ? ? ? ? ? ? 62 GLY G CA 1 +ATOM 12389 C C . GLY G 1 63 ? 2.596 112.316 134.113 1.00 28.27 ? ? ? ? ? ? 62 GLY G C 1 +ATOM 12390 O O . GLY G 1 63 ? 2.360 111.188 133.672 1.00 29.82 ? ? ? ? ? ? 62 GLY G O 1 +ATOM 12391 N N . VAL G 1 64 ? 3.501 113.117 133.563 1.00 27.47 ? ? ? ? ? ? 63 VAL G N 1 +ATOM 12392 C CA . VAL G 1 64 ? 4.285 112.732 132.391 1.00 25.88 ? ? ? ? ? ? 63 VAL G CA 1 +ATOM 12393 C C . VAL G 1 64 ? 5.361 111.772 132.862 1.00 25.11 ? ? ? ? ? ? 63 VAL G C 1 +ATOM 12394 O O . VAL G 1 64 ? 6.133 112.100 133.776 1.00 24.90 ? ? ? ? ? ? 63 VAL G O 1 +ATOM 12395 C CB . VAL G 1 64 ? 4.908 113.982 131.714 1.00 26.17 ? ? ? ? ? ? 63 VAL G CB 1 +ATOM 12396 C CG1 . VAL G 1 64 ? 5.901 113.601 130.598 1.00 24.31 ? ? ? ? ? ? 63 VAL G CG1 1 +ATOM 12397 C CG2 . VAL G 1 64 ? 3.801 114.880 131.175 1.00 23.43 ? ? ? ? ? ? 63 VAL G CG2 1 +ATOM 12398 N N . ARG G 1 65 ? 5.400 110.571 132.286 1.00 24.42 ? ? ? ? ? ? 64 ARG G N 1 +ATOM 12399 C CA . ARG G 1 65 ? 6.370 109.562 132.713 1.00 23.67 ? ? ? ? ? ? 64 ARG G CA 1 +ATOM 12400 C C . ARG G 1 65 ? 7.453 109.371 131.658 1.00 23.02 ? ? ? ? ? ? 64 ARG G C 1 +ATOM 12401 O O . ARG G 1 65 ? 7.174 109.071 130.479 1.00 22.68 ? ? ? ? ? ? 64 ARG G O 1 +ATOM 12402 C CB . ARG G 1 65 ? 5.680 108.250 133.033 1.00 23.90 ? ? ? ? ? ? 64 ARG G CB 1 +ATOM 12403 C CG . ARG G 1 65 ? 6.612 107.202 133.627 1.00 25.32 ? ? ? ? ? ? 64 ARG G CG 1 +ATOM 12404 C CD . ARG G 1 65 ? 5.900 105.873 133.771 1.00 27.05 ? ? ? ? ? ? 64 ARG G CD 1 +ATOM 12405 N NE . ARG G 1 65 ? 4.869 105.934 134.809 1.00 25.16 ? ? ? ? ? ? 64 ARG G NE 1 +ATOM 12406 C CZ . ARG G 1 65 ? 3.557 106.061 134.599 1.00 29.52 ? ? ? ? ? ? 64 ARG G CZ 1 +ATOM 12407 N NH1 . ARG G 1 65 ? 3.042 106.112 133.382 1.00 30.65 ? ? ? ? ? ? 64 ARG G NH1 1 +ATOM 12408 N NH2 . ARG G 1 65 ? 2.735 106.095 135.631 1.00 31.38 ? ? ? ? ? ? 64 ARG G NH2 1 +ATOM 12409 N N . CYS G 1 66 ? 8.695 109.584 132.090 1.00 22.80 ? ? ? ? ? ? 65 CYS G N 1 +ATOM 12410 C CA . CYS G 1 66 ? 9.891 109.517 131.230 1.00 23.32 ? ? ? ? ? ? 65 CYS G CA 1 +ATOM 12411 C C . CYS G 1 66 ? 10.794 108.425 131.750 1.00 22.88 ? ? ? ? ? ? 65 CYS G C 1 +ATOM 12412 O O . CYS G 1 66 ? 10.846 108.220 132.950 1.00 23.68 ? ? ? ? ? ? 65 CYS G O 1 +ATOM 12413 C CB . CYS G 1 66 ? 10.639 110.853 131.262 1.00 24.65 ? ? ? ? ? ? 65 CYS G CB 1 +ATOM 12414 S SG . CYS G 1 66 ? 9.578 112.223 130.731 1.00 27.99 ? ? ? ? ? ? 65 CYS G SG 1 +ATOM 12415 N N . MSE G 1 67 ? 11.451 107.691 130.849 1.00 20.81 ? ? ? ? ? ? 66 MSE G N 1 +ATOM 12416 C CA . MSE G 1 67 ? 12.484 106.717 131.242 1.00 19.14 ? ? ? ? ? ? 66 MSE G CA 1 +ATOM 12417 C C . MSE G 1 67 ? 13.862 107.267 130.984 1.00 19.03 ? ? ? ? ? ? 66 MSE G C 1 +ATOM 12418 O O . MSE G 1 67 ? 14.149 107.680 129.849 1.00 19.03 ? ? ? ? ? ? 66 MSE G O 1 +ATOM 12419 C CB . MSE G 1 67 ? 12.363 105.412 130.453 1.00 20.34 ? ? ? ? ? ? 66 MSE G CB 1 +ATOM 12420 C CG . MSE G 1 67 ? 13.385 104.359 130.858 1.00 17.24 ? ? ? ? ? ? 66 MSE G CG 1 +ATOM 12421 SE SE . MSE G 1 67 ? 13.344 103.934 132.754 0.75 21.86 ? ? ? ? ? ? 66 MSE G SE 1 +ATOM 12422 C CE . MSE G 1 67 ? 11.817 102.652 132.895 1.00 19.85 ? ? ? ? ? ? 66 MSE G CE 1 +ATOM 12423 N N . VAL G 1 68 ? 14.731 107.209 131.998 1.00 19.03 ? ? ? ? ? ? 67 VAL G N 1 +ATOM 12424 C CA . VAL G 1 68 ? 16.140 107.538 131.859 1.00 17.86 ? ? ? ? ? ? 67 VAL G CA 1 +ATOM 12425 C C . VAL G 1 68 ? 16.962 106.265 131.638 1.00 19.04 ? ? ? ? ? ? 67 VAL G C 1 +ATOM 12426 O O . VAL G 1 68 ? 17.123 105.436 132.544 1.00 18.83 ? ? ? ? ? ? 67 VAL G O 1 +ATOM 12427 C CB . VAL G 1 68 ? 16.700 108.241 133.109 1.00 19.26 ? ? ? ? ? ? 67 VAL G CB 1 +ATOM 12428 C CG1 . VAL G 1 68 ? 18.164 108.677 132.859 1.00 16.65 ? ? ? ? ? ? 67 VAL G CG1 1 +ATOM 12429 C CG2 . VAL G 1 68 ? 15.821 109.406 133.494 1.00 16.83 ? ? ? ? ? ? 67 VAL G CG2 1 +ATOM 12430 N N . MSE G 1 69 ? 17.520 106.167 130.437 1.00 18.15 ? ? ? ? ? ? 68 MSE G N 1 +ATOM 12431 C CA . MSE G 1 69 ? 18.287 105.016 130.014 1.00 18.55 ? ? ? ? ? ? 68 MSE G CA 1 +ATOM 12432 C C . MSE G 1 69 ? 19.641 105.033 130.730 1.00 19.19 ? ? ? ? ? ? 68 MSE G C 1 +ATOM 12433 O O . MSE G 1 69 ? 20.026 106.054 131.299 1.00 18.94 ? ? ? ? ? ? 68 MSE G O 1 +ATOM 12434 C CB . MSE G 1 69 ? 18.496 105.065 128.494 1.00 17.13 ? ? ? ? ? ? 68 MSE G CB 1 +ATOM 12435 C CG . MSE G 1 69 ? 17.213 105.121 127.665 1.00 20.34 ? ? ? ? ? ? 68 MSE G CG 1 +ATOM 12436 SE SE . MSE G 1 69 ? 16.207 103.444 127.810 0.75 19.75 ? ? ? ? ? ? 68 MSE G SE 1 +ATOM 12437 C CE . MSE G 1 69 ? 17.719 102.174 127.053 1.00 22.24 ? ? ? ? ? ? 68 MSE G CE 1 +ATOM 12438 N N . PRO G 1 70 ? 20.372 103.894 130.692 1.00 19.92 ? ? ? ? ? ? 69 PRO G N 1 +ATOM 12439 C CA . PRO G 1 70 ? 21.685 103.905 131.308 1.00 21.50 ? ? ? ? ? ? 69 PRO G CA 1 +ATOM 12440 C C . PRO G 1 70 ? 22.600 104.854 130.525 1.00 22.04 ? ? ? ? ? ? 69 PRO G C 1 +ATOM 12441 O O . PRO G 1 70 ? 22.437 104.967 129.303 1.00 20.54 ? ? ? ? ? ? 69 PRO G O 1 +ATOM 12442 C CB . PRO G 1 70 ? 22.158 102.452 131.163 1.00 21.33 ? ? ? ? ? ? 69 PRO G CB 1 +ATOM 12443 C CG . PRO G 1 70 ? 20.931 101.678 130.832 1.00 22.05 ? ? ? ? ? ? 69 PRO G CG 1 +ATOM 12444 C CD . PRO G 1 70 ? 20.066 102.581 130.098 1.00 20.77 ? ? ? ? ? ? 69 PRO G CD 1 +ATOM 12445 N N . PRO G 1 71 ? 23.530 105.540 131.223 1.00 22.47 ? ? ? ? ? ? 70 PRO G N 1 +ATOM 12446 C CA . PRO G 1 71 ? 24.432 106.502 130.605 1.00 21.92 ? ? ? ? ? ? 70 PRO G CA 1 +ATOM 12447 C C . PRO G 1 71 ? 25.419 105.872 129.634 1.00 21.61 ? ? ? ? ? ? 70 PRO G C 1 +ATOM 12448 O O . PRO G 1 71 ? 25.922 104.794 129.905 1.00 22.93 ? ? ? ? ? ? 70 PRO G O 1 +ATOM 12449 C CB . PRO G 1 71 ? 25.209 107.062 131.788 1.00 21.78 ? ? ? ? ? ? 70 PRO G CB 1 +ATOM 12450 C CG . PRO G 1 71 ? 24.433 106.726 132.962 1.00 24.06 ? ? ? ? ? ? 70 PRO G CG 1 +ATOM 12451 C CD . PRO G 1 71 ? 23.784 105.441 132.669 1.00 22.40 ? ? ? ? ? ? 70 PRO G CD 1 +ATOM 12452 N N . VAL G 1 72 ? 25.673 106.544 128.515 1.00 20.70 ? ? ? ? ? ? 71 VAL G N 1 +ATOM 12453 C CA . VAL G 1 72 ? 26.635 106.091 127.538 1.00 18.30 ? ? ? ? ? ? 71 VAL G CA 1 +ATOM 12454 C C . VAL G 1 72 ? 27.976 106.677 127.925 1.00 17.20 ? ? ? ? ? ? 71 VAL G C 1 +ATOM 12455 O O . VAL G 1 72 ? 28.114 107.894 127.930 1.00 17.81 ? ? ? ? ? ? 71 VAL G O 1 +ATOM 12456 C CB . VAL G 1 72 ? 26.247 106.548 126.108 1.00 17.90 ? ? ? ? ? ? 71 VAL G CB 1 +ATOM 12457 C CG1 . VAL G 1 72 ? 27.203 105.948 125.069 1.00 15.58 ? ? ? ? ? ? 71 VAL G CG1 1 +ATOM 12458 C CG2 . VAL G 1 72 ? 24.802 106.197 125.811 1.00 16.20 ? ? ? ? ? ? 71 VAL G CG2 1 +ATOM 12459 N N . PRO G 1 73 ? 28.960 105.819 128.274 1.00 17.41 ? ? ? ? ? ? 72 PRO G N 1 +ATOM 12460 C CA . PRO G 1 73 ? 30.264 106.236 128.735 1.00 17.84 ? ? ? ? ? ? 72 PRO G CA 1 +ATOM 12461 C C . PRO G 1 73 ? 31.297 106.554 127.646 1.00 18.27 ? ? ? ? ? ? 72 PRO G C 1 +ATOM 12462 O O . PRO G 1 73 ? 32.498 106.596 127.932 1.00 21.95 ? ? ? ? ? ? 72 PRO G O 1 +ATOM 12463 C CB . PRO G 1 73 ? 30.698 105.021 129.578 1.00 19.80 ? ? ? ? ? ? 72 PRO G CB 1 +ATOM 12464 C CG . PRO G 1 73 ? 30.223 103.926 128.854 1.00 18.33 ? ? ? ? ? ? 72 PRO G CG 1 +ATOM 12465 C CD . PRO G 1 73 ? 28.865 104.343 128.302 1.00 18.49 ? ? ? ? ? ? 72 PRO G CD 1 +ATOM 12466 N N . PHE G 1 74 ? 30.858 106.832 126.429 1.00 17.84 ? ? ? ? ? ? 73 PHE G N 1 +ATOM 12467 C CA . PHE G 1 74 ? 31.784 106.943 125.302 1.00 17.24 ? ? ? ? ? ? 73 PHE G CA 1 +ATOM 12468 C C . PHE G 1 74 ? 31.750 108.331 124.743 1.00 17.58 ? ? ? ? ? ? 73 PHE G C 1 +ATOM 12469 O O . PHE G 1 74 ? 30.849 108.661 123.978 1.00 17.69 ? ? ? ? ? ? 73 PHE G O 1 +ATOM 12470 C CB . PHE G 1 74 ? 31.435 105.925 124.215 1.00 19.25 ? ? ? ? ? ? 73 PHE G CB 1 +ATOM 12471 C CG . PHE G 1 74 ? 31.554 104.500 124.670 1.00 19.61 ? ? ? ? ? ? 73 PHE G CG 1 +ATOM 12472 C CD1 . PHE G 1 74 ? 32.804 103.941 124.905 1.00 24.52 ? ? ? ? ? ? 73 PHE G CD1 1 +ATOM 12473 C CD2 . PHE G 1 74 ? 30.412 103.716 124.886 1.00 22.29 ? ? ? ? ? ? 73 PHE G CD2 1 +ATOM 12474 C CE1 . PHE G 1 74 ? 32.914 102.632 125.343 1.00 21.45 ? ? ? ? ? ? 73 PHE G CE1 1 +ATOM 12475 C CE2 . PHE G 1 74 ? 30.517 102.391 125.301 1.00 18.25 ? ? ? ? ? ? 73 PHE G CE2 1 +ATOM 12476 C CZ . PHE G 1 74 ? 31.758 101.857 125.549 1.00 18.28 ? ? ? ? ? ? 73 PHE G CZ 1 +ATOM 12477 N N . GLY G 1 75 ? 32.754 109.128 125.117 1.00 17.73 ? ? ? ? ? ? 74 GLY G N 1 +ATOM 12478 C CA . GLY G 1 75 ? 32.857 110.501 124.670 1.00 17.69 ? ? ? ? ? ? 74 GLY G CA 1 +ATOM 12479 C C . GLY G 1 75 ? 33.977 110.757 123.697 1.00 17.07 ? ? ? ? ? ? 74 GLY G C 1 +ATOM 12480 O O . GLY G 1 75 ? 34.823 109.902 123.464 1.00 16.95 ? ? ? ? ? ? 74 GLY G O 1 +ATOM 12481 N N . ALA G 1 76 ? 33.938 111.943 123.099 1.00 16.90 ? ? ? ? ? ? 75 ALA G N 1 +ATOM 12482 C CA . ALA G 1 76 ? 34.902 112.399 122.139 1.00 16.31 ? ? ? ? ? ? 75 ALA G CA 1 +ATOM 12483 C C . ALA G 1 76 ? 35.872 113.308 122.866 1.00 18.35 ? ? ? ? ? ? 75 ALA G C 1 +ATOM 12484 O O . ALA G 1 76 ? 35.477 114.304 123.505 1.00 19.76 ? ? ? ? ? ? 75 ALA G O 1 +ATOM 12485 C CB . ALA G 1 76 ? 34.232 113.155 121.081 1.00 15.48 ? ? ? ? ? ? 75 ALA G CB 1 +ATOM 12486 N N . HIS G 1 77 ? 37.154 112.985 122.748 1.00 19.51 ? ? ? ? ? ? 76 HIS G N 1 +ATOM 12487 C CA . HIS G 1 77 ? 38.194 113.650 123.542 1.00 19.78 ? ? ? ? ? ? 76 HIS G CA 1 +ATOM 12488 C C . HIS G 1 77 ? 39.227 114.392 122.695 1.00 20.53 ? ? ? ? ? ? 76 HIS G C 1 +ATOM 12489 O O . HIS G 1 77 ? 39.177 114.334 121.485 1.00 20.20 ? ? ? ? ? ? 76 HIS G O 1 +ATOM 12490 C CB . HIS G 1 77 ? 38.789 112.637 124.514 1.00 21.48 ? ? ? ? ? ? 76 HIS G CB 1 +ATOM 12491 C CG . HIS G 1 77 ? 37.790 112.193 125.537 1.00 20.93 ? ? ? ? ? ? 76 HIS G CG 1 +ATOM 12492 N ND1 . HIS G 1 77 ? 37.274 113.059 126.477 1.00 20.63 ? ? ? ? ? ? 76 HIS G ND1 1 +ATOM 12493 C CD2 . HIS G 1 77 ? 37.118 111.030 125.686 1.00 18.69 ? ? ? ? ? ? 76 HIS G CD2 1 +ATOM 12494 C CE1 . HIS G 1 77 ? 36.363 112.425 127.192 1.00 24.98 ? ? ? ? ? ? 76 HIS G CE1 1 +ATOM 12495 N NE2 . HIS G 1 77 ? 36.251 111.196 126.733 1.00 19.36 ? ? ? ? ? ? 76 HIS G NE2 1 +ATOM 12496 N N . ASN G 1 78 ? 40.086 115.160 123.346 1.00 20.48 ? ? ? ? ? ? 77 ASN G N 1 +ATOM 12497 C CA . ASN G 1 78 ? 41.028 116.051 122.667 1.00 21.06 ? ? ? ? ? ? 77 ASN G CA 1 +ATOM 12498 C C . ASN G 1 78 ? 42.425 115.471 122.594 1.00 21.85 ? ? ? ? ? ? 77 ASN G C 1 +ATOM 12499 O O . ASN G 1 78 ? 42.726 114.479 123.250 1.00 21.99 ? ? ? ? ? ? 77 ASN G O 1 +ATOM 12500 C CB . ASN G 1 78 ? 41.110 117.397 123.399 1.00 22.53 ? ? ? ? ? ? 77 ASN G CB 1 +ATOM 12501 C CG . ASN G 1 78 ? 39.878 118.221 123.266 1.00 23.17 ? ? ? ? ? ? 77 ASN G CG 1 +ATOM 12502 O OD1 . ASN G 1 78 ? 38.779 117.695 123.147 1.00 27.36 ? ? ? ? ? ? 77 ASN G OD1 1 +ATOM 12503 N ND2 . ASN G 1 78 ? 40.044 119.545 123.317 1.00 22.61 ? ? ? ? ? ? 77 ASN G ND2 1 +ATOM 12504 N N . PRO G 1 79 ? 43.308 116.100 121.786 1.00 23.30 ? ? ? ? ? ? 78 PRO G N 1 +ATOM 12505 C CA . PRO G 1 79 ? 44.690 115.643 121.818 1.00 23.28 ? ? ? ? ? ? 78 PRO G CA 1 +ATOM 12506 C C . PRO G 1 79 ? 45.268 115.805 123.218 1.00 23.18 ? ? ? ? ? ? 78 PRO G C 1 +ATOM 12507 O O . PRO G 1 79 ? 44.907 116.761 123.928 1.00 23.04 ? ? ? ? ? ? 78 PRO G O 1 +ATOM 12508 C CB . PRO G 1 79 ? 45.406 116.557 120.805 1.00 24.51 ? ? ? ? ? ? 78 PRO G CB 1 +ATOM 12509 C CG . PRO G 1 79 ? 44.294 117.134 119.959 1.00 24.63 ? ? ? ? ? ? 78 PRO G CG 1 +ATOM 12510 C CD . PRO G 1 79 ? 43.095 117.191 120.813 1.00 23.29 ? ? ? ? ? ? 78 PRO G CD 1 +ATOM 12511 N N . GLY G 1 80 ? 46.131 114.866 123.608 1.00 22.40 ? ? ? ? ? ? 79 GLY G N 1 +ATOM 12512 C CA . GLY G 1 80 ? 46.674 114.824 124.967 1.00 23.60 ? ? ? ? ? ? 79 GLY G CA 1 +ATOM 12513 C C . GLY G 1 80 ? 45.856 114.115 126.016 1.00 23.79 ? ? ? ? ? ? 79 GLY G C 1 +ATOM 12514 O O . GLY G 1 80 ? 46.379 113.774 127.069 1.00 26.21 ? ? ? ? ? ? 79 GLY G O 1 +ATOM 12515 N N . GLN G 1 81 ? 44.567 113.914 125.763 1.00 23.54 ? ? ? ? ? ? 80 GLN G N 1 +ATOM 12516 C CA . GLN G 1 81 ? 43.700 113.214 126.699 1.00 23.57 ? ? ? ? ? ? 80 GLN G CA 1 +ATOM 12517 C C . GLN G 1 81 ? 43.787 111.702 126.590 1.00 24.18 ? ? ? ? ? ? 80 GLN G C 1 +ATOM 12518 O O . GLN G 1 81 ? 43.768 111.001 127.606 1.00 24.67 ? ? ? ? ? ? 80 GLN G O 1 +ATOM 12519 C CB . GLN G 1 81 ? 42.258 113.642 126.500 1.00 22.31 ? ? ? ? ? ? 80 GLN G CB 1 +ATOM 12520 C CG . GLN G 1 81 ? 41.966 115.015 127.030 1.00 22.68 ? ? ? ? ? ? 80 GLN G CG 1 +ATOM 12521 C CD . GLN G 1 81 ? 40.472 115.254 127.164 1.00 27.67 ? ? ? ? ? ? 80 GLN G CD 1 +ATOM 12522 O OE1 . GLN G 1 81 ? 39.768 115.483 126.161 1.00 26.93 ? ? ? ? ? ? 80 GLN G OE1 1 +ATOM 12523 N NE2 . GLN G 1 81 ? 39.971 115.175 128.398 1.00 18.95 ? ? ? ? ? ? 80 GLN G NE2 1 +ATOM 12524 N N . ARG G 1 82 ? 43.877 111.202 125.369 1.00 24.35 ? ? ? ? ? ? 81 ARG G N 1 +ATOM 12525 C CA . ARG G 1 82 ? 43.888 109.759 125.100 1.00 26.43 ? ? ? ? ? ? 81 ARG G CA 1 +ATOM 12526 C C . ARG G 1 82 ? 45.069 109.014 125.743 1.00 26.32 ? ? ? ? ? ? 81 ARG G C 1 +ATOM 12527 O O . ARG G 1 82 ? 44.974 107.815 126.016 1.00 27.31 ? ? ? ? ? ? 81 ARG G O 1 +ATOM 12528 C CB . ARG G 1 82 ? 43.878 109.506 123.585 1.00 28.08 ? ? ? ? ? ? 81 ARG G CB 1 +ATOM 12529 C CG . ARG G 1 82 ? 43.569 108.072 123.190 1.00 28.89 ? ? ? ? ? ? 81 ARG G CG 1 +ATOM 12530 C CD . ARG G 1 82 ? 43.553 107.858 121.701 1.00 31.05 ? ? ? ? ? ? 81 ARG G CD 1 +ATOM 12531 N NE . ARG G 1 82 ? 44.731 108.420 121.029 1.00 36.97 ? ? ? ? ? ? 81 ARG G NE 1 +ATOM 12532 C CZ . ARG G 1 82 ? 45.091 108.111 119.783 1.00 37.24 ? ? ? ? ? ? 81 ARG G CZ 1 +ATOM 12533 N NH1 . ARG G 1 82 ? 44.405 107.211 119.092 1.00 31.89 ? ? ? ? ? ? 81 ARG G NH1 1 +ATOM 12534 N NH2 . ARG G 1 82 ? 46.178 108.659 119.248 1.00 38.40 ? ? ? ? ? ? 81 ARG G NH2 1 +ATOM 12535 N N . GLU G 1 83 ? 46.174 109.718 125.975 1.00 26.69 ? ? ? ? ? ? 82 GLU G N 1 +ATOM 12536 C CA . GLU G 1 83 ? 47.339 109.125 126.611 1.00 29.83 ? ? ? ? ? ? 82 GLU G CA 1 +ATOM 12537 C C . GLU G 1 83 ? 47.201 109.103 128.156 1.00 26.72 ? ? ? ? ? ? 82 GLU G C 1 +ATOM 12538 O O . GLU G 1 83 ? 47.986 108.511 128.827 1.00 26.27 ? ? ? ? ? ? 82 GLU G O 1 +ATOM 12539 C CB . GLU G 1 83 ? 48.602 109.889 126.183 1.00 32.08 ? ? ? ? ? ? 82 GLU G CB 1 +ATOM 12540 C CG . GLU G 1 83 ? 48.809 111.233 126.921 1.00 38.14 ? ? ? ? ? ? 82 GLU G CG 1 +ATOM 12541 C CD . GLU G 1 83 ? 49.636 112.260 126.128 1.00 40.18 ? ? ? ? ? ? 82 GLU G CD 1 +ATOM 12542 O OE1 . GLU G 1 83 ? 49.273 112.528 124.959 1.00 54.40 ? ? ? ? ? ? 82 GLU G OE1 1 +ATOM 12543 O OE2 . GLU G 1 83 ? 50.616 112.825 126.688 1.00 49.81 ? ? ? ? ? ? 82 GLU G OE2 1 +ATOM 12544 N N . LEU G 1 84 ? 46.222 109.785 128.715 1.00 24.95 ? ? ? ? ? ? 83 LEU G N 1 +ATOM 12545 C CA . LEU G 1 84 ? 45.995 109.693 130.143 1.00 24.45 ? ? ? ? ? ? 83 LEU G CA 1 +ATOM 12546 C C . LEU G 1 84 ? 45.384 108.323 130.425 1.00 23.46 ? ? ? ? ? ? 83 LEU G C 1 +ATOM 12547 O O . LEU G 1 84 ? 44.519 107.846 129.659 1.00 21.72 ? ? ? ? ? ? 83 LEU G O 1 +ATOM 12548 C CB . LEU G 1 84 ? 45.069 110.799 130.618 1.00 24.73 ? ? ? ? ? ? 83 LEU G CB 1 +ATOM 12549 C CG . LEU G 1 84 ? 45.570 112.234 130.474 1.00 29.51 ? ? ? ? ? ? 83 LEU G CG 1 +ATOM 12550 C CD1 . LEU G 1 84 ? 44.382 113.232 130.662 1.00 22.33 ? ? ? ? ? ? 83 LEU G CD1 1 +ATOM 12551 C CD2 . LEU G 1 84 ? 46.750 112.519 131.442 1.00 28.17 ? ? ? ? ? ? 83 LEU G CD2 1 +ATOM 12552 N N . PRO G 1 85 ? 45.835 107.665 131.494 1.00 23.11 ? ? ? ? ? ? 84 PRO G N 1 +ATOM 12553 C CA . PRO G 1 85 ? 45.326 106.321 131.739 1.00 22.71 ? ? ? ? ? ? 84 PRO G CA 1 +ATOM 12554 C C . PRO G 1 85 ? 43.823 106.226 131.873 1.00 21.52 ? ? ? ? ? ? 84 PRO G C 1 +ATOM 12555 O O . PRO G 1 85 ? 43.233 106.967 132.647 1.00 21.70 ? ? ? ? ? ? 84 PRO G O 1 +ATOM 12556 C CB . PRO G 1 85 ? 46.009 105.889 133.054 1.00 23.37 ? ? ? ? ? ? 84 PRO G CB 1 +ATOM 12557 C CG . PRO G 1 85 ? 46.561 107.148 133.664 1.00 26.19 ? ? ? ? ? ? 84 PRO G CG 1 +ATOM 12558 C CD . PRO G 1 85 ? 46.835 108.077 132.495 1.00 24.89 ? ? ? ? ? ? 84 PRO G CD 1 +ATOM 12559 N N . PHE G 1 86 ? 43.239 105.274 131.134 1.00 21.63 ? ? ? ? ? ? 85 PHE G N 1 +ATOM 12560 C CA . PHE G 1 86 ? 41.803 104.914 131.163 1.00 20.64 ? ? ? ? ? ? 85 PHE G CA 1 +ATOM 12561 C C . PHE G 1 86 ? 40.863 105.937 130.532 1.00 20.60 ? ? ? ? ? ? 85 PHE G C 1 +ATOM 12562 O O . PHE G 1 86 ? 39.640 105.788 130.598 1.00 22.69 ? ? ? ? ? ? 85 PHE G O 1 +ATOM 12563 C CB . PHE G 1 86 ? 41.365 104.508 132.586 1.00 20.17 ? ? ? ? ? ? 85 PHE G CB 1 +ATOM 12564 C CG . PHE G 1 86 ? 42.350 103.624 133.255 1.00 22.20 ? ? ? ? ? ? 85 PHE G CG 1 +ATOM 12565 C CD1 . PHE G 1 86 ? 42.786 102.463 132.624 1.00 22.44 ? ? ? ? ? ? 85 PHE G CD1 1 +ATOM 12566 C CD2 . PHE G 1 86 ? 42.889 103.950 134.487 1.00 22.84 ? ? ? ? ? ? 85 PHE G CD2 1 +ATOM 12567 C CE1 . PHE G 1 86 ? 43.719 101.658 133.205 1.00 22.78 ? ? ? ? ? ? 85 PHE G CE1 1 +ATOM 12568 C CE2 . PHE G 1 86 ? 43.818 103.129 135.072 1.00 22.89 ? ? ? ? ? ? 85 PHE G CE2 1 +ATOM 12569 C CZ . PHE G 1 86 ? 44.231 101.985 134.440 1.00 23.73 ? ? ? ? ? ? 85 PHE G CZ 1 +ATOM 12570 N N . CYS G 1 87 ? 41.412 106.953 129.886 1.00 21.03 ? ? ? ? ? ? 86 CYS G N 1 +ATOM 12571 C CA . CYS G 1 87 ? 40.623 107.811 129.041 1.00 20.94 ? ? ? ? ? ? 86 CYS G CA 1 +ATOM 12572 C C . CYS G 1 87 ? 40.298 107.094 127.717 1.00 21.30 ? ? ? ? ? ? 86 CYS G C 1 +ATOM 12573 O O . CYS G 1 87 ? 41.197 106.654 126.989 1.00 22.77 ? ? ? ? ? ? 86 CYS G O 1 +ATOM 12574 C CB . CYS G 1 87 ? 41.371 109.101 128.770 1.00 21.03 ? ? ? ? ? ? 86 CYS G CB 1 +ATOM 12575 S SG . CYS G 1 87 ? 40.341 110.269 127.882 1.00 24.45 ? ? ? ? ? ? 86 CYS G SG 1 +ATOM 12576 N N . ILE G 1 88 ? 39.018 106.959 127.411 1.00 19.23 ? ? ? ? ? ? 87 ILE G N 1 +ATOM 12577 C CA . ILE G 1 88 ? 38.587 106.287 126.186 1.00 19.55 ? ? ? ? ? ? 87 ILE G CA 1 +ATOM 12578 C C . ILE G 1 88 ? 38.049 107.264 125.147 1.00 18.77 ? ? ? ? ? ? 87 ILE G C 1 +ATOM 12579 O O . ILE G 1 88 ? 36.896 107.719 125.284 1.00 19.27 ? ? ? ? ? ? 87 ILE G O 1 +ATOM 12580 C CB . ILE G 1 88 ? 37.469 105.228 126.489 1.00 19.92 ? ? ? ? ? ? 87 ILE G CB 1 +ATOM 12581 C CG1 . ILE G 1 88 ? 37.966 104.186 127.503 1.00 22.18 ? ? ? ? ? ? 87 ILE G CG1 1 +ATOM 12582 C CG2 . ILE G 1 88 ? 37.050 104.514 125.199 1.00 16.63 ? ? ? ? ? ? 87 ILE G CG2 1 +ATOM 12583 C CD1 . ILE G 1 88 ? 39.376 103.495 127.145 1.00 13.65 ? ? ? ? ? ? 87 ILE G CD1 1 +ATOM 12584 N N . HIS G 1 89 ? 38.840 107.575 124.115 1.00 18.28 ? ? ? ? ? ? 88 HIS G N 1 +ATOM 12585 C CA . HIS G 1 89 ? 38.359 108.395 122.999 1.00 18.35 ? ? ? ? ? ? 88 HIS G CA 1 +ATOM 12586 C C . HIS G 1 89 ? 37.480 107.568 122.065 1.00 17.08 ? ? ? ? ? ? 88 HIS G C 1 +ATOM 12587 O O . HIS G 1 89 ? 37.874 106.507 121.661 1.00 17.74 ? ? ? ? ? ? 88 HIS G O 1 +ATOM 12588 C CB . HIS G 1 89 ? 39.523 109.007 122.186 1.00 21.38 ? ? ? ? ? ? 88 HIS G CB 1 +ATOM 12589 C CG . HIS G 1 89 ? 39.073 109.685 120.919 1.00 22.34 ? ? ? ? ? ? 88 HIS G CG 1 +ATOM 12590 N ND1 . HIS G 1 89 ? 38.277 110.810 120.918 1.00 22.99 ? ? ? ? ? ? 88 HIS G ND1 1 +ATOM 12591 C CD2 . HIS G 1 89 ? 39.238 109.343 119.614 1.00 21.83 ? ? ? ? ? ? 88 HIS G CD2 1 +ATOM 12592 C CE1 . HIS G 1 89 ? 38.007 111.158 119.670 1.00 23.78 ? ? ? ? ? ? 88 HIS G CE1 1 +ATOM 12593 N NE2 . HIS G 1 89 ? 38.578 110.283 118.860 1.00 19.53 ? ? ? ? ? ? 88 HIS G NE2 1 +ATOM 12594 N N . THR G 1 90 ? 36.305 108.088 121.741 1.00 17.43 ? ? ? ? ? ? 89 THR G N 1 +ATOM 12595 C CA . THR G 1 90 ? 35.320 107.456 120.872 1.00 17.35 ? ? ? ? ? ? 89 THR G CA 1 +ATOM 12596 C C . THR G 1 90 ? 35.228 108.290 119.593 1.00 16.75 ? ? ? ? ? ? 89 THR G C 1 +ATOM 12597 O O . THR G 1 90 ? 35.037 109.505 119.642 1.00 16.55 ? ? ? ? ? ? 89 THR G O 1 +ATOM 12598 C CB . THR G 1 90 ? 33.900 107.393 121.537 1.00 17.18 ? ? ? ? ? ? 89 THR G CB 1 +ATOM 12599 O OG1 . THR G 1 90 ? 34.011 107.022 122.923 1.00 19.63 ? ? ? ? ? ? 89 THR G OG1 1 +ATOM 12600 C CG2 . THR G 1 90 ? 32.995 106.392 120.841 1.00 17.75 ? ? ? ? ? ? 89 THR G CG2 1 +ATOM 12601 N N . ARG G 1 91 ? 35.387 107.623 118.445 1.00 14.79 ? ? ? ? ? ? 90 ARG G N 1 +ATOM 12602 C CA . ARG G 1 91 ? 35.202 108.280 117.167 1.00 15.94 ? ? ? ? ? ? 90 ARG G CA 1 +ATOM 12603 C C . ARG G 1 91 ? 33.739 108.678 116.979 1.00 16.83 ? ? ? ? ? ? 90 ARG G C 1 +ATOM 12604 O O . ARG G 1 91 ? 32.832 108.012 117.502 1.00 16.46 ? ? ? ? ? ? 90 ARG G O 1 +ATOM 12605 C CB . ARG G 1 91 ? 35.671 107.381 116.015 1.00 16.74 ? ? ? ? ? ? 90 ARG G CB 1 +ATOM 12606 C CG . ARG G 1 91 ? 37.160 107.159 115.953 1.00 16.94 ? ? ? ? ? ? 90 ARG G CG 1 +ATOM 12607 C CD . ARG G 1 91 ? 37.521 106.074 114.943 1.00 21.44 ? ? ? ? ? ? 90 ARG G CD 1 +ATOM 12608 N NE . ARG G 1 91 ? 37.122 104.752 115.436 1.00 20.91 ? ? ? ? ? ? 90 ARG G NE 1 +ATOM 12609 C CZ . ARG G 1 91 ? 37.126 103.626 114.736 1.00 25.27 ? ? ? ? ? ? 90 ARG G CZ 1 +ATOM 12610 N NH1 . ARG G 1 91 ? 37.516 103.618 113.477 1.00 28.42 ? ? ? ? ? ? 90 ARG G NH1 1 +ATOM 12611 N NH2 . ARG G 1 91 ? 36.733 102.496 115.308 1.00 22.95 ? ? ? ? ? ? 90 ARG G NH2 1 +ATOM 12612 N N . TYR G 1 92 ? 33.515 109.761 116.233 1.00 17.52 ? ? ? ? ? ? 91 TYR G N 1 +ATOM 12613 C CA . TYR G 1 92 ? 32.184 110.220 115.840 1.00 17.28 ? ? ? ? ? ? 91 TYR G CA 1 +ATOM 12614 C C . TYR G 1 92 ? 31.346 109.108 115.208 1.00 15.67 ? ? ? ? ? ? 91 TYR G C 1 +ATOM 12615 O O . TYR G 1 92 ? 30.175 108.998 115.514 1.00 17.61 ? ? ? ? ? ? 91 TYR G O 1 +ATOM 12616 C CB . TYR G 1 92 ? 32.240 111.453 114.864 1.00 16.23 ? ? ? ? ? ? 91 TYR G CB 1 +ATOM 12617 C CG . TYR G 1 92 ? 30.914 112.215 114.737 1.00 21.80 ? ? ? ? ? ? 91 TYR G CG 1 +ATOM 12618 C CD1 . TYR G 1 92 ? 29.856 111.745 113.931 1.00 19.47 ? ? ? ? ? ? 91 TYR G CD1 1 +ATOM 12619 C CD2 . TYR G 1 92 ? 30.700 113.391 115.448 1.00 24.24 ? ? ? ? ? ? 91 TYR G CD2 1 +ATOM 12620 C CE1 . TYR G 1 92 ? 28.607 112.453 113.864 1.00 20.49 ? ? ? ? ? ? 91 TYR G CE1 1 +ATOM 12621 C CE2 . TYR G 1 92 ? 29.475 114.107 115.357 1.00 21.92 ? ? ? ? ? ? 91 TYR G CE2 1 +ATOM 12622 C CZ . TYR G 1 92 ? 28.444 113.638 114.565 1.00 23.93 ? ? ? ? ? ? 91 TYR G CZ 1 +ATOM 12623 O OH . TYR G 1 92 ? 27.245 114.371 114.525 1.00 26.29 ? ? ? ? ? ? 91 TYR G OH 1 +ATOM 12624 N N . ALA G 1 93 ? 31.920 108.317 114.301 1.00 16.40 ? ? ? ? ? ? 92 ALA G N 1 +ATOM 12625 C CA . ALA G 1 93 ? 31.194 107.245 113.633 1.00 15.57 ? ? ? ? ? ? 92 ALA G CA 1 +ATOM 12626 C C . ALA G 1 93 ? 30.770 106.144 114.612 1.00 15.70 ? ? ? ? ? ? 92 ALA G C 1 +ATOM 12627 O O . ALA G 1 93 ? 29.698 105.533 114.423 1.00 15.72 ? ? ? ? ? ? 92 ALA G O 1 +ATOM 12628 C CB . ALA G 1 93 ? 32.010 106.656 112.440 1.00 14.83 ? ? ? ? ? ? 92 ALA G CB 1 +ATOM 12629 N N . THR G 1 94 ? 31.587 105.910 115.661 1.00 15.59 ? ? ? ? ? ? 93 THR G N 1 +ATOM 12630 C CA . THR G 1 94 ? 31.263 104.970 116.745 1.00 14.42 ? ? ? ? ? ? 93 THR G CA 1 +ATOM 12631 C C . THR G 1 94 ? 30.060 105.442 117.549 1.00 15.89 ? ? ? ? ? ? 93 THR G C 1 +ATOM 12632 O O . THR G 1 94 ? 29.099 104.692 117.762 1.00 15.70 ? ? ? ? ? ? 93 THR G O 1 +ATOM 12633 C CB . THR G 1 94 ? 32.484 104.709 117.676 1.00 14.74 ? ? ? ? ? ? 93 THR G CB 1 +ATOM 12634 O OG1 . THR G 1 94 ? 33.564 104.198 116.888 1.00 15.88 ? ? ? ? ? ? 93 THR G OG1 1 +ATOM 12635 C CG2 . THR G 1 94 ? 32.154 103.689 118.799 1.00 13.87 ? ? ? ? ? ? 93 THR G CG2 1 +ATOM 12636 N N . GLN G 1 95 ? 30.101 106.704 117.946 1.00 16.74 ? ? ? ? ? ? 94 GLN G N 1 +ATOM 12637 C CA . GLN G 1 95 ? 29.004 107.327 118.637 1.00 15.67 ? ? ? ? ? ? 94 GLN G CA 1 +ATOM 12638 C C . GLN G 1 95 ? 27.735 107.297 117.784 1.00 15.80 ? ? ? ? ? ? 94 GLN G C 1 +ATOM 12639 O O . GLN G 1 95 ? 26.621 107.034 118.273 1.00 15.59 ? ? ? ? ? ? 94 GLN G O 1 +ATOM 12640 C CB . GLN G 1 95 ? 29.375 108.774 118.978 1.00 16.42 ? ? ? ? ? ? 94 GLN G CB 1 +ATOM 12641 C CG . GLN G 1 95 ? 30.460 108.929 120.038 1.00 15.95 ? ? ? ? ? ? 94 GLN G CG 1 +ATOM 12642 C CD . GLN G 1 95 ? 30.699 110.385 120.425 1.00 16.60 ? ? ? ? ? ? 94 GLN G CD 1 +ATOM 12643 O OE1 . GLN G 1 95 ? 30.709 111.245 119.556 1.00 21.41 ? ? ? ? ? ? 94 GLN G OE1 1 +ATOM 12644 N NE2 . GLN G 1 95 ? 30.876 110.667 121.731 1.00 16.26 ? ? ? ? ? ? 94 GLN G NE2 1 +ATOM 12645 N N . GLN G 1 96 ? 27.884 107.580 116.503 1.00 16.95 ? ? ? ? ? ? 95 GLN G N 1 +ATOM 12646 C CA . GLN G 1 96 ? 26.746 107.522 115.576 1.00 16.65 ? ? ? ? ? ? 95 GLN G CA 1 +ATOM 12647 C C . GLN G 1 96 ? 26.148 106.120 115.457 1.00 15.42 ? ? ? ? ? ? 95 GLN G C 1 +ATOM 12648 O O . GLN G 1 96 ? 24.944 105.958 115.418 1.00 16.42 ? ? ? ? ? ? 95 GLN G O 1 +ATOM 12649 C CB . GLN G 1 96 ? 27.185 108.080 114.214 1.00 17.77 ? ? ? ? ? ? 95 GLN G CB 1 +ATOM 12650 C CG . GLN G 1 96 ? 26.123 108.025 113.150 1.00 21.83 ? ? ? ? ? ? 95 GLN G CG 1 +ATOM 12651 C CD . GLN G 1 96 ? 26.240 109.145 112.124 1.00 30.87 ? ? ? ? ? ? 95 GLN G CD 1 +ATOM 12652 O OE1 . GLN G 1 96 ? 27.334 109.586 111.765 1.00 36.15 ? ? ? ? ? ? 95 GLN G OE1 1 +ATOM 12653 N NE2 . GLN G 1 96 ? 25.103 109.633 111.677 1.00 40.80 ? ? ? ? ? ? 95 GLN G NE2 1 +ATOM 12654 N N . ALA G 1 97 ? 27.014 105.113 115.369 1.00 15.82 ? ? ? ? ? ? 96 ALA G N 1 +ATOM 12655 C CA . ALA G 1 97 ? 26.589 103.715 115.377 1.00 15.40 ? ? ? ? ? ? 96 ALA G CA 1 +ATOM 12656 C C . ALA G 1 97 ? 25.757 103.376 116.620 1.00 16.56 ? ? ? ? ? ? 96 ALA G C 1 +ATOM 12657 O O . ALA G 1 97 ? 24.694 102.709 116.537 1.00 14.18 ? ? ? ? ? ? 96 ALA G O 1 +ATOM 12658 C CB . ALA G 1 97 ? 27.810 102.803 115.298 1.00 14.18 ? ? ? ? ? ? 96 ALA G CB 1 +ATOM 12659 N N . ILE G 1 98 ? 26.263 103.808 117.782 1.00 15.93 ? ? ? ? ? ? 97 ILE G N 1 +ATOM 12660 C CA . ILE G 1 98 ? 25.554 103.607 119.032 1.00 14.83 ? ? ? ? ? ? 97 ILE G CA 1 +ATOM 12661 C C . ILE G 1 98 ? 24.191 104.304 118.988 1.00 15.68 ? ? ? ? ? ? 97 ILE G C 1 +ATOM 12662 O O . ILE G 1 98 ? 23.221 103.692 119.345 1.00 15.70 ? ? ? ? ? ? 97 ILE G O 1 +ATOM 12663 C CB . ILE G 1 98 ? 26.369 104.086 120.282 1.00 14.71 ? ? ? ? ? ? 97 ILE G CB 1 +ATOM 12664 C CG1 . ILE G 1 98 ? 27.626 103.229 120.496 1.00 16.12 ? ? ? ? ? ? 97 ILE G CG1 1 +ATOM 12665 C CG2 . ILE G 1 98 ? 25.517 104.034 121.546 1.00 16.45 ? ? ? ? ? ? 97 ILE G CG2 1 +ATOM 12666 C CD1 . ILE G 1 98 ? 28.711 103.905 121.330 1.00 14.45 ? ? ? ? ? ? 97 ILE G CD1 1 +ATOM 12667 N N . LEU G 1 99 ? 24.135 105.590 118.593 1.00 16.33 ? ? ? ? ? ? 98 LEU G N 1 +ATOM 12668 C CA . LEU G 1 99 ? 22.862 106.327 118.544 1.00 16.68 ? ? ? ? ? ? 98 LEU G CA 1 +ATOM 12669 C C . LEU G 1 99 ? 21.882 105.659 117.596 1.00 17.13 ? ? ? ? ? ? 98 LEU G C 1 +ATOM 12670 O O . LEU G 1 99 ? 20.739 105.472 117.933 1.00 18.81 ? ? ? ? ? ? 98 LEU G O 1 +ATOM 12671 C CB . LEU G 1 99 ? 23.064 107.798 118.171 1.00 16.61 ? ? ? ? ? ? 98 LEU G CB 1 +ATOM 12672 C CG . LEU G 1 99 ? 21.825 108.706 118.402 1.00 18.84 ? ? ? ? ? ? 98 LEU G CG 1 +ATOM 12673 C CD1 . LEU G 1 99 ? 21.236 108.478 119.818 1.00 15.42 ? ? ? ? ? ? 98 LEU G CD1 1 +ATOM 12674 C CD2 . LEU G 1 99 ? 22.122 110.167 118.203 1.00 14.46 ? ? ? ? ? ? 98 LEU G CD2 1 +ATOM 12675 N N . GLU G 1 100 ? 22.334 105.280 116.408 1.00 17.91 ? ? ? ? ? ? 99 GLU G N 1 +ATOM 12676 C CA . GLU G 1 100 ? 21.522 104.529 115.449 1.00 18.18 ? ? ? ? ? ? 99 GLU G CA 1 +ATOM 12677 C C . GLU G 1 100 ? 20.922 103.260 116.037 1.00 17.72 ? ? ? ? ? ? 99 GLU G C 1 +ATOM 12678 O O . GLU G 1 100 ? 19.745 102.962 115.839 1.00 17.24 ? ? ? ? ? ? 99 GLU G O 1 +ATOM 12679 C CB . GLU G 1 100 ? 22.369 104.159 114.231 1.00 18.52 ? ? ? ? ? ? 99 GLU G CB 1 +ATOM 12680 C CG . GLU G 1 100 ? 22.665 105.303 113.263 1.00 19.58 ? ? ? ? ? ? 99 GLU G CG 1 +ATOM 12681 C CD . GLU G 1 100 ? 23.745 104.953 112.213 1.00 23.72 ? ? ? ? ? ? 99 GLU G CD 1 +ATOM 12682 O OE1 . GLU G 1 100 ? 24.344 103.861 112.256 1.00 24.57 ? ? ? ? ? ? 99 GLU G OE1 1 +ATOM 12683 O OE2 . GLU G 1 100 ? 24.014 105.794 111.349 1.00 26.24 ? ? ? ? ? ? 99 GLU G OE2 1 +ATOM 12684 N N . ASP G 1 101 ? 21.736 102.490 116.748 1.00 16.33 ? ? ? ? ? ? 100 ASP G N 1 +ATOM 12685 C CA . ASP G 1 101 ? 21.245 101.261 117.369 1.00 17.18 ? ? ? ? ? ? 100 ASP G CA 1 +ATOM 12686 C C . ASP G 1 101 ? 20.188 101.527 118.500 1.00 17.75 ? ? ? ? ? ? 100 ASP G C 1 +ATOM 12687 O O . ASP G 1 101 ? 19.208 100.794 118.638 1.00 18.38 ? ? ? ? ? ? 100 ASP G O 1 +ATOM 12688 C CB . ASP G 1 101 ? 22.438 100.438 117.904 1.00 19.41 ? ? ? ? ? ? 100 ASP G CB 1 +ATOM 12689 C CG . ASP G 1 101 ? 23.203 99.707 116.798 1.00 22.12 ? ? ? ? ? ? 100 ASP G CG 1 +ATOM 12690 O OD1 . ASP G 1 101 ? 22.744 99.739 115.621 1.00 23.95 ? ? ? ? ? ? 100 ASP G OD1 1 +ATOM 12691 O OD2 . ASP G 1 101 ? 24.263 99.095 117.115 1.00 23.70 ? ? ? ? ? ? 100 ASP G OD2 1 +ATOM 12692 N N . ILE G 1 102 ? 20.396 102.575 119.301 1.00 17.82 ? ? ? ? ? ? 101 ILE G N 1 +ATOM 12693 C CA . ILE G 1 102 ? 19.428 102.955 120.334 1.00 15.91 ? ? ? ? ? ? 101 ILE G CA 1 +ATOM 12694 C C . ILE G 1 102 ? 18.113 103.357 119.683 1.00 16.77 ? ? ? ? ? ? 101 ILE G C 1 +ATOM 12695 O O . ILE G 1 102 ? 17.069 102.842 120.041 1.00 17.94 ? ? ? ? ? ? 101 ILE G O 1 +ATOM 12696 C CB . ILE G 1 102 ? 19.977 104.099 121.253 1.00 16.84 ? ? ? ? ? ? 101 ILE G CB 1 +ATOM 12697 C CG1 . ILE G 1 102 ? 21.127 103.587 122.110 1.00 15.61 ? ? ? ? ? ? 101 ILE G CG1 1 +ATOM 12698 C CG2 . ILE G 1 102 ? 18.863 104.739 122.165 1.00 14.85 ? ? ? ? ? ? 101 ILE G CG2 1 +ATOM 12699 C CD1 . ILE G 1 102 ? 21.992 104.713 122.739 1.00 14.13 ? ? ? ? ? ? 101 ILE G CD1 1 +ATOM 12700 N N . VAL G 1 103 ? 18.178 104.269 118.707 1.00 17.52 ? ? ? ? ? ? 102 VAL G N 1 +ATOM 12701 C CA . VAL G 1 103 ? 16.970 104.771 118.009 1.00 17.48 ? ? ? ? ? ? 102 VAL G CA 1 +ATOM 12702 C C . VAL G 1 103 ? 16.219 103.649 117.299 1.00 18.14 ? ? ? ? ? ? 102 VAL G C 1 +ATOM 12703 O O . VAL G 1 103 ? 15.013 103.516 117.416 1.00 19.33 ? ? ? ? ? ? 102 VAL G O 1 +ATOM 12704 C CB . VAL G 1 103 ? 17.312 105.979 117.086 1.00 18.35 ? ? ? ? ? ? 102 VAL G CB 1 +ATOM 12705 C CG1 . VAL G 1 103 ? 16.151 106.370 116.191 1.00 17.66 ? ? ? ? ? ? 102 VAL G CG1 1 +ATOM 12706 C CG2 . VAL G 1 103 ? 17.727 107.170 117.955 1.00 15.02 ? ? ? ? ? ? 102 VAL G CG2 1 +ATOM 12707 N N . SER G 1 104 ? 16.940 102.792 116.609 1.00 17.45 ? ? ? ? ? ? 103 SER G N 1 +ATOM 12708 C CA . SER G 1 104 ? 16.314 101.716 115.907 1.00 18.93 ? ? ? ? ? ? 103 SER G CA 1 +ATOM 12709 C C . SER G 1 104 ? 15.490 100.884 116.889 1.00 18.83 ? ? ? ? ? ? 103 SER G C 1 +ATOM 12710 O O . SER G 1 104 ? 14.340 100.573 116.636 1.00 19.48 ? ? ? ? ? ? 103 SER G O 1 +ATOM 12711 C CB . SER G 1 104 ? 17.370 100.860 115.204 1.00 20.02 ? ? ? ? ? ? 103 SER G CB 1 +ATOM 12712 O OG . SER G 1 104 ? 16.763 99.784 114.478 1.00 28.38 ? ? ? ? ? ? 103 SER G OG 1 +ATOM 12713 N N . SER G 1 105 ? 16.091 100.517 118.018 1.00 18.51 ? ? ? ? ? ? 104 SER G N 1 +ATOM 12714 C CA . SER G 1 105 ? 15.399 99.717 118.997 1.00 17.90 ? ? ? ? ? ? 104 SER G CA 1 +ATOM 12715 C C . SER G 1 105 ? 14.179 100.404 119.601 1.00 17.37 ? ? ? ? ? ? 104 SER G C 1 +ATOM 12716 O O . SER G 1 105 ? 13.121 99.797 119.662 1.00 17.55 ? ? ? ? ? ? 104 SER G O 1 +ATOM 12717 C CB . SER G 1 105 ? 16.367 99.315 120.116 1.00 17.45 ? ? ? ? ? ? 104 SER G CB 1 +ATOM 12718 O OG . SER G 1 105 ? 17.076 98.171 119.722 1.00 21.66 ? ? ? ? ? ? 104 SER G OG 1 +ATOM 12719 N N . LEU G 1 106 ? 14.363 101.641 120.077 1.00 17.64 ? ? ? ? ? ? 105 LEU G N 1 +ATOM 12720 C CA . LEU G 1 106 ? 13.302 102.426 120.726 1.00 17.58 ? ? ? ? ? ? 105 LEU G CA 1 +ATOM 12721 C C . LEU G 1 106 ? 12.098 102.663 119.802 1.00 18.55 ? ? ? ? ? ? 105 LEU G C 1 +ATOM 12722 O O . LEU G 1 106 ? 10.949 102.624 120.230 1.00 18.38 ? ? ? ? ? ? 105 LEU G O 1 +ATOM 12723 C CB . LEU G 1 106 ? 13.854 103.777 121.199 1.00 16.24 ? ? ? ? ? ? 105 LEU G CB 1 +ATOM 12724 C CG . LEU G 1 106 ? 14.827 103.825 122.366 1.00 18.81 ? ? ? ? ? ? 105 LEU G CG 1 +ATOM 12725 C CD1 . LEU G 1 106 ? 15.296 105.257 122.569 1.00 13.89 ? ? ? ? ? ? 105 LEU G CD1 1 +ATOM 12726 C CD2 . LEU G 1 106 ? 14.175 103.229 123.640 1.00 20.90 ? ? ? ? ? ? 105 LEU G CD2 1 +ATOM 12727 N N . HIS G 1 107 ? 12.397 102.909 118.530 1.00 19.93 ? ? ? ? ? ? 106 HIS G N 1 +ATOM 12728 C CA . HIS G 1 107 ? 11.392 103.074 117.471 1.00 21.51 ? ? ? ? ? ? 106 HIS G CA 1 +ATOM 12729 C C . HIS G 1 107 ? 10.545 101.838 117.242 1.00 21.22 ? ? ? ? ? ? 106 HIS G C 1 +ATOM 12730 O O . HIS G 1 107 ? 9.299 101.918 117.197 1.00 22.71 ? ? ? ? ? ? 106 HIS G O 1 +ATOM 12731 C CB . HIS G 1 107 ? 12.044 103.512 116.152 1.00 22.78 ? ? ? ? ? ? 106 HIS G CB 1 +ATOM 12732 C CG . HIS G 1 107 ? 11.046 103.919 115.114 1.00 23.16 ? ? ? ? ? ? 106 HIS G CG 1 +ATOM 12733 N ND1 . HIS G 1 107 ? 10.442 103.013 114.267 1.00 25.44 ? ? ? ? ? ? 106 HIS G ND1 1 +ATOM 12734 C CD2 . HIS G 1 107 ? 10.512 105.126 114.816 1.00 25.91 ? ? ? ? ? ? 106 HIS G CD2 1 +ATOM 12735 C CE1 . HIS G 1 107 ? 9.586 103.643 113.487 1.00 24.43 ? ? ? ? ? ? 106 HIS G CE1 1 +ATOM 12736 N NE2 . HIS G 1 107 ? 9.624 104.928 113.784 1.00 26.52 ? ? ? ? ? ? 106 HIS G NE2 1 +ATOM 12737 N N . VAL G 1 108 ? 11.186 100.683 117.137 1.00 21.98 ? ? ? ? ? ? 107 VAL G N 1 +ATOM 12738 C CA . VAL G 1 108 ? 10.430 99.432 117.072 1.00 23.51 ? ? ? ? ? ? 107 VAL G CA 1 +ATOM 12739 C C . VAL G 1 108 ? 9.559 99.260 118.314 1.00 22.58 ? ? ? ? ? ? 107 VAL G C 1 +ATOM 12740 O O . VAL G 1 108 ? 8.472 98.685 118.257 1.00 22.83 ? ? ? ? ? ? 107 VAL G O 1 +ATOM 12741 C CB . VAL G 1 108 ? 11.336 98.166 116.949 1.00 25.26 ? ? ? ? ? ? 107 VAL G CB 1 +ATOM 12742 C CG1 . VAL G 1 108 ? 10.536 96.967 117.263 1.00 22.59 ? ? ? ? ? ? 107 VAL G CG1 1 +ATOM 12743 C CG2 . VAL G 1 108 ? 11.914 98.038 115.556 1.00 21.78 ? ? ? ? ? ? 107 VAL G CG2 1 +ATOM 12744 N N . GLN G 1 109 ? 10.036 99.723 119.456 1.00 21.94 ? ? ? ? ? ? 108 GLN G N 1 +ATOM 12745 C CA . GLN G 1 109 ? 9.248 99.575 120.690 1.00 21.62 ? ? ? ? ? ? 108 GLN G CA 1 +ATOM 12746 C C . GLN G 1 109 ? 8.046 100.496 120.750 1.00 23.20 ? ? ? ? ? ? 108 GLN G C 1 +ATOM 12747 O O . GLN G 1 109 ? 7.265 100.402 121.697 1.00 23.93 ? ? ? ? ? ? 108 GLN G O 1 +ATOM 12748 C CB . GLN G 1 109 ? 10.124 99.832 121.916 1.00 22.13 ? ? ? ? ? ? 108 GLN G CB 1 +ATOM 12749 C CG . GLN G 1 109 ? 11.094 98.709 122.189 1.00 21.08 ? ? ? ? ? ? 108 GLN G CG 1 +ATOM 12750 C CD . GLN G 1 109 ? 12.332 99.182 122.860 1.00 18.62 ? ? ? ? ? ? 108 GLN G CD 1 +ATOM 12751 O OE1 . GLN G 1 109 ? 12.301 100.139 123.620 1.00 24.18 ? ? ? ? ? ? 108 GLN G OE1 1 +ATOM 12752 N NE2 . GLN G 1 109 ? 13.430 98.510 122.609 1.00 17.07 ? ? ? ? ? ? 108 GLN G NE2 1 +ATOM 12753 N N . GLY G 1 110 ? 7.937 101.433 119.798 1.00 23.10 ? ? ? ? ? ? 109 GLY G N 1 +ATOM 12754 C CA . GLY G 1 110 ? 6.807 102.357 119.740 1.00 21.96 ? ? ? ? ? ? 109 GLY G CA 1 +ATOM 12755 C C . GLY G 1 110 ? 7.105 103.756 120.237 1.00 22.30 ? ? ? ? ? ? 109 GLY G C 1 +ATOM 12756 O O . GLY G 1 110 ? 6.211 104.593 120.196 1.00 22.15 ? ? ? ? ? ? 109 GLY G O 1 +ATOM 12757 N N . PHE G 1 111 ? 8.351 104.047 120.667 1.00 21.16 ? ? ? ? ? ? 110 PHE G N 1 +ATOM 12758 C CA . PHE G 1 111 ? 8.694 105.369 121.193 1.00 19.48 ? ? ? ? ? ? 110 PHE G CA 1 +ATOM 12759 C C . PHE G 1 111 ? 9.045 106.325 120.078 1.00 20.34 ? ? ? ? ? ? 110 PHE G C 1 +ATOM 12760 O O . PHE G 1 111 ? 9.575 105.927 119.037 1.00 21.32 ? ? ? ? ? ? 110 PHE G O 1 +ATOM 12761 C CB . PHE G 1 111 ? 9.854 105.304 122.217 1.00 22.05 ? ? ? ? ? ? 110 PHE G CB 1 +ATOM 12762 C CG . PHE G 1 111 ? 9.559 104.419 123.355 1.00 19.14 ? ? ? ? ? ? 110 PHE G CG 1 +ATOM 12763 C CD1 . PHE G 1 111 ? 8.460 104.678 124.166 1.00 23.90 ? ? ? ? ? ? 110 PHE G CD1 1 +ATOM 12764 C CD2 . PHE G 1 111 ? 10.331 103.309 123.615 1.00 20.86 ? ? ? ? ? ? 110 PHE G CD2 1 +ATOM 12765 C CE1 . PHE G 1 111 ? 8.155 103.834 125.218 1.00 24.47 ? ? ? ? ? ? 110 PHE G CE1 1 +ATOM 12766 C CE2 . PHE G 1 111 ? 10.024 102.457 124.634 1.00 18.86 ? ? ? ? ? ? 110 PHE G CE2 1 +ATOM 12767 C CZ . PHE G 1 111 ? 8.940 102.718 125.447 1.00 25.16 ? ? ? ? ? ? 110 PHE G CZ 1 +ATOM 12768 N N . ARG G 1 112 ? 8.742 107.595 120.287 1.00 19.88 ? ? ? ? ? ? 111 ARG G N 1 +ATOM 12769 C CA . ARG G 1 112 ? 8.896 108.606 119.234 1.00 21.37 ? ? ? ? ? ? 111 ARG G CA 1 +ATOM 12770 C C . ARG G 1 112 ? 9.504 109.905 119.721 1.00 20.59 ? ? ? ? ? ? 111 ARG G C 1 +ATOM 12771 O O . ARG G 1 112 ? 9.528 110.890 118.976 1.00 20.73 ? ? ? ? ? ? 111 ARG G O 1 +ATOM 12772 C CB . ARG G 1 112 ? 7.545 108.897 118.593 1.00 21.17 ? ? ? ? ? ? 111 ARG G CB 1 +ATOM 12773 C CG . ARG G 1 112 ? 6.883 107.710 117.917 1.00 19.20 ? ? ? ? ? ? 111 ARG G CG 1 +ATOM 12774 C CD . ARG G 1 112 ? 7.612 107.262 116.705 1.00 21.18 ? ? ? ? ? ? 111 ARG G CD 1 +ATOM 12775 N NE . ARG G 1 112 ? 6.921 106.202 115.962 1.00 25.87 ? ? ? ? ? ? 111 ARG G NE 1 +ATOM 12776 C CZ . ARG G 1 112 ? 7.118 104.894 116.131 1.00 24.40 ? ? ? ? ? ? 111 ARG G CZ 1 +ATOM 12777 N NH1 . ARG G 1 112 ? 7.993 104.447 117.016 1.00 24.51 ? ? ? ? ? ? 111 ARG G NH1 1 +ATOM 12778 N NH2 . ARG G 1 112 ? 6.419 104.026 115.426 1.00 21.17 ? ? ? ? ? ? 111 ARG G NH2 1 +ATOM 12779 N N . LYS G 1 113 ? 10.023 109.912 120.950 1.00 19.94 ? ? ? ? ? ? 112 LYS G N 1 +ATOM 12780 C CA . LYS G 1 113 ? 10.586 111.131 121.576 1.00 20.47 ? ? ? ? ? ? 112 LYS G CA 1 +ATOM 12781 C C . LYS G 1 113 ? 11.772 110.821 122.494 1.00 19.39 ? ? ? ? ? ? 112 LYS G C 1 +ATOM 12782 O O . LYS G 1 113 ? 11.651 110.069 123.440 1.00 18.67 ? ? ? ? ? ? 112 LYS G O 1 +ATOM 12783 C CB . LYS G 1 113 ? 9.509 111.861 122.364 1.00 21.24 ? ? ? ? ? ? 112 LYS G CB 1 +ATOM 12784 C CG . LYS G 1 113 ? 8.519 112.608 121.478 1.00 26.81 ? ? ? ? ? ? 112 LYS G CG 1 +ATOM 12785 C CD . LYS G 1 113 ? 7.207 112.789 122.185 1.00 33.45 ? ? ? ? ? ? 112 LYS G CD 1 +ATOM 12786 C CE . LYS G 1 113 ? 6.210 113.491 121.314 1.00 39.85 ? ? ? ? ? ? 112 LYS G CE 1 +ATOM 12787 N NZ . LYS G 1 113 ? 4.855 113.385 121.929 1.00 43.13 ? ? ? ? ? ? 112 LYS G NZ 1 +ATOM 12788 N N . LEU G 1 114 ? 12.906 111.434 122.187 1.00 19.11 ? ? ? ? ? ? 113 LEU G N 1 +ATOM 12789 C CA . LEU G 1 114 ? 14.176 111.176 122.847 1.00 18.24 ? ? ? ? ? ? 113 LEU G CA 1 +ATOM 12790 C C . LEU G 1 114 ? 14.908 112.496 123.136 1.00 18.22 ? ? ? ? ? ? 113 LEU G C 1 +ATOM 12791 O O . LEU G 1 114 ? 15.009 113.385 122.269 1.00 19.08 ? ? ? ? ? ? 113 LEU G O 1 +ATOM 12792 C CB . LEU G 1 114 ? 15.028 110.275 121.950 1.00 19.22 ? ? ? ? ? ? 113 LEU G CB 1 +ATOM 12793 C CG . LEU G 1 114 ? 16.441 109.954 122.397 1.00 14.56 ? ? ? ? ? ? 113 LEU G CG 1 +ATOM 12794 C CD1 . LEU G 1 114 ? 16.329 109.112 123.641 1.00 11.20 ? ? ? ? ? ? 113 LEU G CD1 1 +ATOM 12795 C CD2 . LEU G 1 114 ? 17.219 109.246 121.252 1.00 16.51 ? ? ? ? ? ? 113 LEU G CD2 1 +ATOM 12796 N N . LEU G 1 115 ? 15.389 112.633 124.369 1.00 17.70 ? ? ? ? ? ? 114 LEU G N 1 +ATOM 12797 C CA . LEU G 1 115 ? 16.316 113.692 124.719 1.00 17.84 ? ? ? ? ? ? 114 LEU G CA 1 +ATOM 12798 C C . LEU G 1 115 ? 17.668 113.078 125.096 1.00 17.64 ? ? ? ? ? ? 114 LEU G C 1 +ATOM 12799 O O . LEU G 1 115 ? 17.757 112.240 125.987 1.00 18.68 ? ? ? ? ? ? 114 LEU G O 1 +ATOM 12800 C CB . LEU G 1 115 ? 15.782 114.537 125.888 1.00 18.39 ? ? ? ? ? ? 114 LEU G CB 1 +ATOM 12801 C CG . LEU G 1 115 ? 16.807 115.590 126.324 1.00 22.33 ? ? ? ? ? ? 114 LEU G CG 1 +ATOM 12802 C CD1 . LEU G 1 115 ? 16.813 116.807 125.374 1.00 21.48 ? ? ? ? ? ? 114 LEU G CD1 1 +ATOM 12803 C CD2 . LEU G 1 115 ? 16.605 116.008 127.760 1.00 19.43 ? ? ? ? ? ? 114 LEU G CD2 1 +ATOM 12804 N N . ILE G 1 116 ? 18.706 113.522 124.409 1.00 17.70 ? ? ? ? ? ? 115 ILE G N 1 +ATOM 12805 C CA . ILE G 1 116 ? 20.060 113.212 124.762 1.00 17.64 ? ? ? ? ? ? 115 ILE G CA 1 +ATOM 12806 C C . ILE G 1 116 ? 20.488 114.319 125.724 1.00 18.53 ? ? ? ? ? ? 115 ILE G C 1 +ATOM 12807 O O . ILE G 1 116 ? 20.508 115.511 125.354 1.00 17.96 ? ? ? ? ? ? 115 ILE G O 1 +ATOM 12808 C CB . ILE G 1 116 ? 21.017 113.154 123.537 1.00 16.41 ? ? ? ? ? ? 115 ILE G CB 1 +ATOM 12809 C CG1 . ILE G 1 116 ? 20.428 112.292 122.425 1.00 18.61 ? ? ? ? ? ? 115 ILE G CG1 1 +ATOM 12810 C CG2 . ILE G 1 116 ? 22.416 112.642 123.970 1.00 16.63 ? ? ? ? ? ? 115 ILE G CG2 1 +ATOM 12811 C CD1 . ILE G 1 116 ? 21.124 112.401 121.059 1.00 16.27 ? ? ? ? ? ? 115 ILE G CD1 1 +ATOM 12812 N N . LEU G 1 117 ? 20.805 113.910 126.964 1.00 17.52 ? ? ? ? ? ? 116 LEU G N 1 +ATOM 12813 C CA . LEU G 1 117 ? 21.301 114.827 127.982 1.00 16.82 ? ? ? ? ? ? 116 LEU G CA 1 +ATOM 12814 C C . LEU G 1 117 ? 22.754 114.516 128.206 1.00 17.59 ? ? ? ? ? ? 116 LEU G C 1 +ATOM 12815 O O . LEU G 1 117 ? 23.097 113.540 128.887 1.00 17.67 ? ? ? ? ? ? 116 LEU G O 1 +ATOM 12816 C CB . LEU G 1 117 ? 20.499 114.700 129.276 1.00 16.30 ? ? ? ? ? ? 116 LEU G CB 1 +ATOM 12817 C CG . LEU G 1 117 ? 20.739 115.731 130.388 1.00 19.99 ? ? ? ? ? ? 116 LEU G CG 1 +ATOM 12818 C CD1 . LEU G 1 117 ? 20.314 117.168 129.963 1.00 17.18 ? ? ? ? ? ? 116 LEU G CD1 1 +ATOM 12819 C CD2 . LEU G 1 117 ? 20.029 115.338 131.654 1.00 15.94 ? ? ? ? ? ? 116 LEU G CD2 1 +ATOM 12820 N N . SER G 1 118 ? 23.609 115.353 127.621 1.00 18.34 ? ? ? ? ? ? 117 SER G N 1 +ATOM 12821 C CA . SER G 1 118 ? 25.029 115.164 127.636 1.00 18.18 ? ? ? ? ? ? 117 SER G CA 1 +ATOM 12822 C C . SER G 1 118 ? 25.647 115.759 128.849 1.00 20.52 ? ? ? ? ? ? 117 SER G C 1 +ATOM 12823 O O . SER G 1 118 ? 25.241 116.824 129.283 1.00 20.41 ? ? ? ? ? ? 117 SER G O 1 +ATOM 12824 C CB . SER G 1 118 ? 25.689 115.793 126.411 1.00 19.02 ? ? ? ? ? ? 117 SER G CB 1 +ATOM 12825 O OG . SER G 1 118 ? 27.098 115.520 126.393 1.00 19.45 ? ? ? ? ? ? 117 SER G OG 1 +ATOM 12826 N N . GLY G 1 119 ? 26.669 115.061 129.345 1.00 20.44 ? ? ? ? ? ? 118 GLY G N 1 +ATOM 12827 C CA . GLY G 1 119 ? 27.509 115.519 130.399 1.00 20.72 ? ? ? ? ? ? 118 GLY G CA 1 +ATOM 12828 C C . GLY G 1 119 ? 28.909 115.897 129.957 1.00 19.84 ? ? ? ? ? ? 118 GLY G C 1 +ATOM 12829 O O . GLY G 1 119 ? 29.648 116.351 130.757 1.00 21.18 ? ? ? ? ? ? 118 GLY G O 1 +ATOM 12830 N N . HIS G 1 120 ? 29.221 115.769 128.669 1.00 19.85 ? ? ? ? ? ? 119 HIS G N 1 +ATOM 12831 C CA . HIS G 1 120 ? 30.534 116.015 128.118 1.00 20.95 ? ? ? ? ? ? 119 HIS G CA 1 +ATOM 12832 C C . HIS G 1 120 ? 30.419 116.984 126.924 1.00 22.39 ? ? ? ? ? ? 119 HIS G C 1 +ATOM 12833 O O . HIS G 1 120 ? 29.683 116.735 125.951 1.00 24.06 ? ? ? ? ? ? 119 HIS G O 1 +ATOM 12834 C CB . HIS G 1 120 ? 31.188 114.681 127.754 1.00 21.07 ? ? ? ? ? ? 119 HIS G CB 1 +ATOM 12835 C CG . HIS G 1 120 ? 32.538 114.809 127.127 1.00 20.76 ? ? ? ? ? ? 119 HIS G CG 1 +ATOM 12836 N ND1 . HIS G 1 120 ? 33.619 115.339 127.788 1.00 22.64 ? ? ? ? ? ? 119 HIS G ND1 1 +ATOM 12837 C CD2 . HIS G 1 120 ? 32.980 114.487 125.888 1.00 22.41 ? ? ? ? ? ? 119 HIS G CD2 1 +ATOM 12838 C CE1 . HIS G 1 120 ? 34.669 115.340 126.982 1.00 24.77 ? ? ? ? ? ? 119 HIS G CE1 1 +ATOM 12839 N NE2 . HIS G 1 120 ? 34.301 114.835 125.821 1.00 20.10 ? ? ? ? ? ? 119 HIS G NE2 1 +ATOM 12840 N N . GLY G 1 121 ? 31.089 118.126 127.055 1.00 22.71 ? ? ? ? ? ? 120 GLY G N 1 +ATOM 12841 C CA . GLY G 1 121 ? 31.054 119.219 126.080 1.00 23.11 ? ? ? ? ? ? 120 GLY G CA 1 +ATOM 12842 C C . GLY G 1 121 ? 31.706 118.849 124.761 1.00 23.52 ? ? ? ? ? ? 120 GLY G C 1 +ATOM 12843 O O . GLY G 1 121 ? 31.354 119.415 123.722 1.00 24.85 ? ? ? ? ? ? 120 GLY G O 1 +ATOM 12844 N N . GLY G 1 122 ? 32.632 117.883 124.821 1.00 23.61 ? ? ? ? ? ? 121 GLY G N 1 +ATOM 12845 C CA . GLY G 1 122 ? 33.261 117.268 123.654 1.00 22.80 ? ? ? ? ? ? 121 GLY G CA 1 +ATOM 12846 C C . GLY G 1 122 ? 32.299 116.519 122.752 1.00 23.00 ? ? ? ? ? ? 121 GLY G C 1 +ATOM 12847 O O . GLY G 1 122 ? 32.625 116.278 121.579 1.00 23.35 ? ? ? ? ? ? 121 GLY G O 1 +ATOM 12848 N N . ASN G 1 123 ? 31.140 116.127 123.287 1.00 22.32 ? ? ? ? ? ? 122 ASN G N 1 +ATOM 12849 C CA . ASN G 1 123 ? 30.132 115.414 122.502 1.00 21.75 ? ? ? ? ? ? 122 ASN G CA 1 +ATOM 12850 C C . ASN G 1 123 ? 29.334 116.407 121.696 1.00 22.06 ? ? ? ? ? ? 122 ASN G C 1 +ATOM 12851 O O . ASN G 1 123 ? 28.947 117.450 122.196 1.00 21.77 ? ? ? ? ? ? 122 ASN G O 1 +ATOM 12852 C CB . ASN G 1 123 ? 29.185 114.573 123.380 1.00 19.55 ? ? ? ? ? ? 122 ASN G CB 1 +ATOM 12853 C CG . ASN G 1 123 ? 29.900 113.458 124.139 1.00 20.92 ? ? ? ? ? ? 122 ASN G CG 1 +ATOM 12854 O OD1 . ASN G 1 123 ? 30.915 112.928 123.684 1.00 18.82 ? ? ? ? ? ? 122 ASN G OD1 1 +ATOM 12855 N ND2 . ASN G 1 123 ? 29.357 113.089 125.303 1.00 16.11 ? ? ? ? ? ? 122 ASN G ND2 1 +ATOM 12856 N N . ASN G 1 124 ? 29.085 116.055 120.446 1.00 21.21 ? ? ? ? ? ? 123 ASN G N 1 +ATOM 12857 C CA . ASN G 1 124 ? 28.346 116.891 119.503 1.00 22.58 ? ? ? ? ? ? 123 ASN G CA 1 +ATOM 12858 C C . ASN G 1 124 ? 27.410 115.979 118.753 1.00 20.81 ? ? ? ? ? ? 123 ASN G C 1 +ATOM 12859 O O . ASN G 1 124 ? 27.863 115.008 118.180 1.00 21.47 ? ? ? ? ? ? 123 ASN G O 1 +ATOM 12860 C CB . ASN G 1 124 ? 29.326 117.518 118.515 1.00 25.79 ? ? ? ? ? ? 123 ASN G CB 1 +ATOM 12861 C CG . ASN G 1 124 ? 30.041 118.704 119.086 1.00 29.78 ? ? ? ? ? ? 123 ASN G CG 1 +ATOM 12862 O OD1 . ASN G 1 124 ? 29.412 119.708 119.400 1.00 35.78 ? ? ? ? ? ? 123 ASN G OD1 1 +ATOM 12863 N ND2 . ASN G 1 124 ? 31.379 118.604 119.215 1.00 34.05 ? ? ? ? ? ? 123 ASN G ND2 1 +ATOM 12864 N N . PHE G 1 125 ? 26.117 116.278 118.801 1.00 20.41 ? ? ? ? ? ? 124 PHE G N 1 +ATOM 12865 C CA . PHE G 1 125 ? 25.063 115.383 118.303 1.00 19.29 ? ? ? ? ? ? 124 PHE G CA 1 +ATOM 12866 C C . PHE G 1 125 ? 24.252 115.932 117.129 1.00 19.03 ? ? ? ? ? ? 124 PHE G C 1 +ATOM 12867 O O . PHE G 1 125 ? 23.357 115.245 116.639 1.00 19.34 ? ? ? ? ? ? 124 PHE G O 1 +ATOM 12868 C CB . PHE G 1 125 ? 24.113 115.046 119.477 1.00 19.97 ? ? ? ? ? ? 124 PHE G CB 1 +ATOM 12869 C CG . PHE G 1 125 ? 24.799 114.312 120.582 1.00 19.64 ? ? ? ? ? ? 124 PHE G CG 1 +ATOM 12870 C CD1 . PHE G 1 125 ? 25.163 112.968 120.413 1.00 22.56 ? ? ? ? ? ? 124 PHE G CD1 1 +ATOM 12871 C CD2 . PHE G 1 125 ? 25.114 114.944 121.775 1.00 18.66 ? ? ? ? ? ? 124 PHE G CD2 1 +ATOM 12872 C CE1 . PHE G 1 125 ? 25.854 112.270 121.419 1.00 17.44 ? ? ? ? ? ? 124 PHE G CE1 1 +ATOM 12873 C CE2 . PHE G 1 125 ? 25.780 114.251 122.775 1.00 18.10 ? ? ? ? ? ? 124 PHE G CE2 1 +ATOM 12874 C CZ . PHE G 1 125 ? 26.144 112.900 122.589 1.00 16.98 ? ? ? ? ? ? 124 PHE G CZ 1 +ATOM 12875 N N . LYS G 1 126 ? 24.522 117.161 116.684 1.00 19.01 ? ? ? ? ? ? 125 LYS G N 1 +ATOM 12876 C CA . LYS G 1 126 ? 23.641 117.807 115.711 1.00 18.76 ? ? ? ? ? ? 125 LYS G CA 1 +ATOM 12877 C C . LYS G 1 126 ? 23.638 117.060 114.373 1.00 18.83 ? ? ? ? ? ? 125 LYS G C 1 +ATOM 12878 O O . LYS G 1 126 ? 22.593 116.827 113.788 1.00 20.43 ? ? ? ? ? ? 125 LYS G O 1 +ATOM 12879 C CB . LYS G 1 126 ? 24.022 119.272 115.502 1.00 17.88 ? ? ? ? ? ? 125 LYS G CB 1 +ATOM 12880 C CG . LYS G 1 126 ? 23.852 120.126 116.758 1.00 20.63 ? ? ? ? ? ? 125 LYS G CG 1 +ATOM 12881 C CD . LYS G 1 126 ? 24.038 121.587 116.454 1.00 21.44 ? ? ? ? ? ? 125 LYS G CD 1 +ATOM 12882 C CE . LYS G 1 126 ? 23.668 122.450 117.639 1.00 28.85 ? ? ? ? ? ? 125 LYS G CE 1 +ATOM 12883 N NZ . LYS G 1 126 ? 23.839 123.890 117.257 1.00 33.36 ? ? ? ? ? ? 125 LYS G NZ 1 +ATOM 12884 N N . GLY G 1 127 ? 24.812 116.675 113.899 1.00 17.79 ? ? ? ? ? ? 126 GLY G N 1 +ATOM 12885 C CA . GLY G 1 127 ? 24.911 115.912 112.661 1.00 18.44 ? ? ? ? ? ? 126 GLY G CA 1 +ATOM 12886 C C . GLY G 1 127 ? 24.183 114.576 112.675 1.00 19.25 ? ? ? ? ? ? 126 GLY G C 1 +ATOM 12887 O O . GLY G 1 127 ? 23.512 114.192 111.717 1.00 17.70 ? ? ? ? ? ? 126 GLY G O 1 +ATOM 12888 N N . MSE G 1 128 ? 24.350 113.861 113.768 1.00 19.37 ? ? ? ? ? ? 127 MSE G N 1 +ATOM 12889 C CA . MSE G 1 128 ? 23.686 112.601 113.989 1.00 19.46 ? ? ? ? ? ? 127 MSE G CA 1 +ATOM 12890 C C . MSE G 1 128 ? 22.223 112.786 113.989 1.00 18.37 ? ? ? ? ? ? 127 MSE G C 1 +ATOM 12891 O O . MSE G 1 128 ? 21.497 111.992 113.429 1.00 17.54 ? ? ? ? ? ? 127 MSE G O 1 +ATOM 12892 C CB . MSE G 1 128 ? 24.035 112.037 115.357 1.00 20.52 ? ? ? ? ? ? 127 MSE G CB 1 +ATOM 12893 C CG . MSE G 1 128 ? 25.412 111.560 115.473 1.00 21.61 ? ? ? ? ? ? 127 MSE G CG 1 +ATOM 12894 SE SE . MSE G 1 128 ? 25.820 110.820 117.266 0.75 19.97 ? ? ? ? ? ? 127 MSE G SE 1 +ATOM 12895 C CE . MSE G 1 128 ? 27.582 111.507 117.356 1.00 10.96 ? ? ? ? ? ? 127 MSE G CE 1 +ATOM 12896 N N . ILE G 1 129 ? 21.771 113.827 114.662 1.00 18.71 ? ? ? ? ? ? 128 ILE G N 1 +ATOM 12897 C CA . ILE G 1 129 ? 20.338 114.091 114.768 1.00 18.33 ? ? ? ? ? ? 128 ILE G CA 1 +ATOM 12898 C C . ILE G 1 129 ? 19.773 114.452 113.380 1.00 18.25 ? ? ? ? ? ? 128 ILE G C 1 +ATOM 12899 O O . ILE G 1 129 ? 18.716 113.968 113.023 1.00 17.90 ? ? ? ? ? ? 128 ILE G O 1 +ATOM 12900 C CB . ILE G 1 129 ? 20.049 115.204 115.820 1.00 17.59 ? ? ? ? ? ? 128 ILE G CB 1 +ATOM 12901 C CG1 . ILE G 1 129 ? 20.295 114.636 117.219 1.00 19.29 ? ? ? ? ? ? 128 ILE G CG1 1 +ATOM 12902 C CG2 . ILE G 1 129 ? 18.613 115.719 115.719 1.00 19.05 ? ? ? ? ? ? 128 ILE G CG2 1 +ATOM 12903 C CD1 . ILE G 1 129 ? 20.321 115.671 118.276 1.00 16.88 ? ? ? ? ? ? 128 ILE G CD1 1 +ATOM 12904 N N . ARG G 1 130 ? 20.508 115.259 112.604 1.00 18.21 ? ? ? ? ? ? 129 ARG G N 1 +ATOM 12905 C CA . ARG G 1 130 ? 20.066 115.601 111.246 1.00 18.69 ? ? ? ? ? ? 129 ARG G CA 1 +ATOM 12906 C C . ARG G 1 130 ? 19.885 114.370 110.380 1.00 18.98 ? ? ? ? ? ? 129 ARG G C 1 +ATOM 12907 O O . ARG G 1 130 ? 18.872 114.227 109.723 1.00 20.40 ? ? ? ? ? ? 129 ARG G O 1 +ATOM 12908 C CB . ARG G 1 130 ? 21.040 116.575 110.558 1.00 19.36 ? ? ? ? ? ? 129 ARG G CB 1 +ATOM 12909 C CG . ARG G 1 130 ? 20.916 117.989 111.063 1.00 20.22 ? ? ? ? ? ? 129 ARG G CG 1 +ATOM 12910 C CD . ARG G 1 130 ? 21.821 118.975 110.294 1.00 20.89 ? ? ? ? ? ? 129 ARG G CD 1 +ATOM 12911 N NE . ARG G 1 130 ? 21.407 120.333 110.635 1.00 24.57 ? ? ? ? ? ? 129 ARG G NE 1 +ATOM 12912 C CZ . ARG G 1 130 ? 22.017 121.148 111.503 1.00 24.82 ? ? ? ? ? ? 129 ARG G CZ 1 +ATOM 12913 N NH1 . ARG G 1 130 ? 23.135 120.794 112.127 1.00 26.97 ? ? ? ? ? ? 129 ARG G NH1 1 +ATOM 12914 N NH2 . ARG G 1 130 ? 21.517 122.361 111.723 1.00 27.07 ? ? ? ? ? ? 129 ARG G NH2 1 +ATOM 12915 N N . ASP G 1 131 ? 20.867 113.480 110.386 1.00 18.86 ? ? ? ? ? ? 130 ASP G N 1 +ATOM 12916 C CA . ASP G 1 131 ? 20.813 112.246 109.583 1.00 18.99 ? ? ? ? ? ? 130 ASP G CA 1 +ATOM 12917 C C . ASP G 1 131 ? 19.690 111.316 109.978 1.00 19.71 ? ? ? ? ? ? 130 ASP G C 1 +ATOM 12918 O O . ASP G 1 131 ? 18.980 110.755 109.120 1.00 20.72 ? ? ? ? ? ? 130 ASP G O 1 +ATOM 12919 C CB . ASP G 1 131 ? 22.188 111.534 109.585 1.00 20.18 ? ? ? ? ? ? 130 ASP G CB 1 +ATOM 12920 C CG . ASP G 1 131 ? 23.279 112.364 108.857 1.00 23.26 ? ? ? ? ? ? 130 ASP G CG 1 +ATOM 12921 O OD1 . ASP G 1 131 ? 22.907 113.279 108.075 1.00 24.54 ? ? ? ? ? ? 130 ASP G OD1 1 +ATOM 12922 O OD2 . ASP G 1 131 ? 24.505 112.099 109.039 1.00 26.24 ? ? ? ? ? ? 130 ASP G OD2 1 +ATOM 12923 N N . LEU G 1 132 ? 19.509 111.148 111.273 1.00 19.43 ? ? ? ? ? ? 131 LEU G N 1 +ATOM 12924 C CA . LEU G 1 132 ? 18.458 110.316 111.772 1.00 20.00 ? ? ? ? ? ? 131 LEU G CA 1 +ATOM 12925 C C . LEU G 1 132 ? 17.062 110.931 111.558 1.00 20.82 ? ? ? ? ? ? 131 LEU G C 1 +ATOM 12926 O O . LEU G 1 132 ? 16.086 110.202 111.528 1.00 21.08 ? ? ? ? ? ? 131 LEU G O 1 +ATOM 12927 C CB . LEU G 1 132 ? 18.661 110.035 113.261 1.00 19.83 ? ? ? ? ? ? 131 LEU G CB 1 +ATOM 12928 C CG . LEU G 1 132 ? 19.768 109.049 113.532 1.00 22.38 ? ? ? ? ? ? 131 LEU G CG 1 +ATOM 12929 C CD1 . LEU G 1 132 ? 20.304 109.359 114.886 1.00 22.09 ? ? ? ? ? ? 131 LEU G CD1 1 +ATOM 12930 C CD2 . LEU G 1 132 ? 19.224 107.651 113.427 1.00 19.32 ? ? ? ? ? ? 131 LEU G CD2 1 +ATOM 12931 N N . ALA G 1 133 ? 16.983 112.255 111.428 1.00 21.31 ? ? ? ? ? ? 132 ALA G N 1 +ATOM 12932 C CA . ALA G 1 133 ? 15.724 112.935 111.129 1.00 22.00 ? ? ? ? ? ? 132 ALA G CA 1 +ATOM 12933 C C . ALA G 1 133 ? 15.179 112.535 109.758 1.00 22.18 ? ? ? ? ? ? 132 ALA G C 1 +ATOM 12934 O O . ALA G 1 133 ? 13.987 112.579 109.537 1.00 24.26 ? ? ? ? ? ? 132 ALA G O 1 +ATOM 12935 C CB . ALA G 1 133 ? 15.913 114.441 111.225 1.00 19.74 ? ? ? ? ? ? 132 ALA G CB 1 +ATOM 12936 N N . PHE G 1 134 ? 16.062 112.139 108.850 1.00 24.16 ? ? ? ? ? ? 133 PHE G N 1 +ATOM 12937 C CA . PHE G 1 134 ? 15.685 111.670 107.524 1.00 25.38 ? ? ? ? ? ? 133 PHE G CA 1 +ATOM 12938 C C . PHE G 1 134 ? 15.398 110.162 107.526 1.00 26.47 ? ? ? ? ? ? 133 PHE G C 1 +ATOM 12939 O O . PHE G 1 134 ? 14.482 109.699 106.842 1.00 27.46 ? ? ? ? ? ? 133 PHE G O 1 +ATOM 12940 C CB . PHE G 1 134 ? 16.789 112.031 106.514 1.00 26.25 ? ? ? ? ? ? 133 PHE G CB 1 +ATOM 12941 C CG . PHE G 1 134 ? 16.943 113.536 106.279 1.00 26.67 ? ? ? ? ? ? 133 PHE G CG 1 +ATOM 12942 C CD1 . PHE G 1 134 ? 15.876 114.293 105.812 1.00 29.52 ? ? ? ? ? ? 133 PHE G CD1 1 +ATOM 12943 C CD2 . PHE G 1 134 ? 18.152 114.177 106.505 1.00 26.75 ? ? ? ? ? ? 133 PHE G CD2 1 +ATOM 12944 C CE1 . PHE G 1 134 ? 16.001 115.667 105.556 1.00 26.06 ? ? ? ? ? ? 133 PHE G CE1 1 +ATOM 12945 C CE2 . PHE G 1 134 ? 18.293 115.562 106.271 1.00 26.25 ? ? ? ? ? ? 133 PHE G CE2 1 +ATOM 12946 C CZ . PHE G 1 134 ? 17.204 116.306 105.786 1.00 25.82 ? ? ? ? ? ? 133 PHE G CZ 1 +ATOM 12947 N N . GLU G 1 135 ? 16.152 109.395 108.317 1.00 27.37 ? ? ? ? ? ? 134 GLU G N 1 +ATOM 12948 C CA . GLU G 1 135 ? 15.864 107.951 108.470 1.00 30.71 ? ? ? ? ? ? 134 GLU G CA 1 +ATOM 12949 C C . GLU G 1 135 ? 14.577 107.676 109.237 1.00 26.03 ? ? ? ? ? ? 134 GLU G C 1 +ATOM 12950 O O . GLU G 1 135 ? 13.846 106.744 108.905 1.00 25.02 ? ? ? ? ? ? 134 GLU G O 1 +ATOM 12951 C CB . GLU G 1 135 ? 16.964 107.255 109.254 1.00 32.18 ? ? ? ? ? ? 134 GLU G CB 1 +ATOM 12952 C CG . GLU G 1 135 ? 18.341 107.271 108.649 1.00 40.90 ? ? ? ? ? ? 134 GLU G CG 1 +ATOM 12953 C CD . GLU G 1 135 ? 19.301 106.376 109.441 1.00 41.66 ? ? ? ? ? ? 134 GLU G CD 1 +ATOM 12954 O OE1 . GLU G 1 135 ? 20.453 106.815 109.702 1.00 58.92 ? ? ? ? ? ? 134 GLU G OE1 1 +ATOM 12955 O OE2 . GLU G 1 135 ? 18.883 105.240 109.803 1.00 58.75 ? ? ? ? ? ? 134 GLU G OE2 1 +ATOM 12956 N N . TYR G 1 136 ? 14.340 108.452 110.301 1.00 23.10 ? ? ? ? ? ? 135 TYR G N 1 +ATOM 12957 C CA . TYR G 1 136 ? 13.201 108.250 111.187 1.00 22.10 ? ? ? ? ? ? 135 TYR G CA 1 +ATOM 12958 C C . TYR G 1 136 ? 12.453 109.562 111.302 1.00 22.92 ? ? ? ? ? ? 135 TYR G C 1 +ATOM 12959 O O . TYR G 1 136 ? 12.587 110.254 112.318 1.00 21.20 ? ? ? ? ? ? 135 TYR G O 1 +ATOM 12960 C CB . TYR G 1 136 ? 13.630 107.790 112.585 1.00 21.10 ? ? ? ? ? ? 135 TYR G CB 1 +ATOM 12961 C CG . TYR G 1 136 ? 14.294 106.472 112.615 1.00 20.63 ? ? ? ? ? ? 135 TYR G CG 1 +ATOM 12962 C CD1 . TYR G 1 136 ? 13.561 105.294 112.722 1.00 23.64 ? ? ? ? ? ? 135 TYR G CD1 1 +ATOM 12963 C CD2 . TYR G 1 136 ? 15.669 106.380 112.531 1.00 24.00 ? ? ? ? ? ? 135 TYR G CD2 1 +ATOM 12964 C CE1 . TYR G 1 136 ? 14.196 104.056 112.728 1.00 26.36 ? ? ? ? ? ? 135 TYR G CE1 1 +ATOM 12965 C CE2 . TYR G 1 136 ? 16.311 105.152 112.542 1.00 22.83 ? ? ? ? ? ? 135 TYR G CE2 1 +ATOM 12966 C CZ . TYR G 1 136 ? 15.583 104.008 112.646 1.00 23.84 ? ? ? ? ? ? 135 TYR G CZ 1 +ATOM 12967 O OH . TYR G 1 136 ? 16.246 102.817 112.657 1.00 25.90 ? ? ? ? ? ? 135 TYR G OH 1 +ATOM 12968 N N . PRO G 1 137 ? 11.709 109.945 110.240 1.00 24.51 ? ? ? ? ? ? 136 PRO G N 1 +ATOM 12969 C CA . PRO G 1 137 ? 11.019 111.249 110.232 1.00 25.89 ? ? ? ? ? ? 136 PRO G CA 1 +ATOM 12970 C C . PRO G 1 137 ? 9.959 111.428 111.306 1.00 25.47 ? ? ? ? ? ? 136 PRO G C 1 +ATOM 12971 O O . PRO G 1 137 ? 9.563 112.551 111.582 1.00 26.61 ? ? ? ? ? ? 136 PRO G O 1 +ATOM 12972 C CB . PRO G 1 137 ? 10.368 111.311 108.843 1.00 27.17 ? ? ? ? ? ? 136 PRO G CB 1 +ATOM 12973 C CG . PRO G 1 137 ? 10.352 109.910 108.352 1.00 28.25 ? ? ? ? ? ? 136 PRO G CG 1 +ATOM 12974 C CD . PRO G 1 137 ? 11.509 109.208 108.979 1.00 24.83 ? ? ? ? ? ? 136 PRO G CD 1 +ATOM 12975 N N . ASP G 1 138 ? 9.517 110.331 111.909 1.00 25.52 ? ? ? ? ? ? 137 ASP G N 1 +ATOM 12976 C CA . ASP G 1 138 ? 8.494 110.382 112.942 1.00 25.93 ? ? ? ? ? ? 137 ASP G CA 1 +ATOM 12977 C C . ASP G 1 138 ? 9.060 110.363 114.392 1.00 24.56 ? ? ? ? ? ? 137 ASP G C 1 +ATOM 12978 O O . ASP G 1 138 ? 8.309 110.284 115.343 1.00 23.49 ? ? ? ? ? ? 137 ASP G O 1 +ATOM 12979 C CB . ASP G 1 138 ? 7.444 109.274 112.680 1.00 26.93 ? ? ? ? ? ? 137 ASP G CB 1 +ATOM 12980 C CG . ASP G 1 138 ? 8.020 107.841 112.708 1.00 33.60 ? ? ? ? ? ? 137 ASP G CG 1 +ATOM 12981 O OD1 . ASP G 1 138 ? 9.252 107.631 112.771 1.00 30.05 ? ? ? ? ? ? 137 ASP G OD1 1 +ATOM 12982 O OD2 . ASP G 1 138 ? 7.186 106.903 112.661 1.00 43.91 ? ? ? ? ? ? 137 ASP G OD2 1 +ATOM 12983 N N . PHE G 1 139 ? 10.383 110.488 114.528 1.00 23.21 ? ? ? ? ? ? 138 PHE G N 1 +ATOM 12984 C CA . PHE G 1 139 ? 11.088 110.280 115.787 1.00 21.68 ? ? ? ? ? ? 138 PHE G CA 1 +ATOM 12985 C C . PHE G 1 139 ? 11.820 111.585 116.117 1.00 21.48 ? ? ? ? ? ? 138 PHE G C 1 +ATOM 12986 O O . PHE G 1 139 ? 12.722 112.011 115.375 1.00 21.66 ? ? ? ? ? ? 138 PHE G O 1 +ATOM 12987 C CB . PHE G 1 139 ? 12.074 109.113 115.644 1.00 24.76 ? ? ? ? ? ? 138 PHE G CB 1 +ATOM 12988 C CG . PHE G 1 139 ? 12.582 108.556 116.946 1.00 21.50 ? ? ? ? ? ? 138 PHE G CG 1 +ATOM 12989 C CD1 . PHE G 1 139 ? 13.632 109.154 117.598 1.00 29.29 ? ? ? ? ? ? 138 PHE G CD1 1 +ATOM 12990 C CD2 . PHE G 1 139 ? 12.043 107.385 117.471 1.00 23.22 ? ? ? ? ? ? 138 PHE G CD2 1 +ATOM 12991 C CE1 . PHE G 1 139 ? 14.116 108.641 118.784 1.00 28.59 ? ? ? ? ? ? 138 PHE G CE1 1 +ATOM 12992 C CE2 . PHE G 1 139 ? 12.507 106.858 118.655 1.00 23.52 ? ? ? ? ? ? 138 PHE G CE2 1 +ATOM 12993 C CZ . PHE G 1 139 ? 13.545 107.485 119.319 1.00 25.94 ? ? ? ? ? ? 138 PHE G CZ 1 +ATOM 12994 N N . LEU G 1 140 ? 11.382 112.221 117.201 1.00 21.09 ? ? ? ? ? ? 139 LEU G N 1 +ATOM 12995 C CA . LEU G 1 140 ? 11.912 113.497 117.628 1.00 21.50 ? ? ? ? ? ? 139 LEU G CA 1 +ATOM 12996 C C . LEU G 1 140 ? 13.114 113.233 118.533 1.00 21.22 ? ? ? ? ? ? 139 LEU G C 1 +ATOM 12997 O O . LEU G 1 140 ? 12.991 112.486 119.505 1.00 21.87 ? ? ? ? ? ? 139 LEU G O 1 +ATOM 12998 C CB . LEU G 1 140 ? 10.844 114.278 118.400 1.00 21.73 ? ? ? ? ? ? 139 LEU G CB 1 +ATOM 12999 C CG . LEU G 1 140 ? 11.205 115.685 118.900 1.00 23.82 ? ? ? ? ? ? 139 LEU G CG 1 +ATOM 13000 C CD1 . LEU G 1 140 ? 11.570 116.588 117.693 1.00 24.68 ? ? ? ? ? ? 139 LEU G CD1 1 +ATOM 13001 C CD2 . LEU G 1 140 ? 10.068 116.244 119.685 1.00 21.23 ? ? ? ? ? ? 139 LEU G CD2 1 +ATOM 13002 N N . ILE G 1 141 ? 14.262 113.802 118.165 1.00 19.91 ? ? ? ? ? ? 140 ILE G N 1 +ATOM 13003 C CA . ILE G 1 141 ? 15.459 113.787 118.992 1.00 19.24 ? ? ? ? ? ? 140 ILE G CA 1 +ATOM 13004 C C . ILE G 1 141 ? 15.932 115.220 119.289 1.00 19.22 ? ? ? ? ? ? 140 ILE G C 1 +ATOM 13005 O O . ILE G 1 141 ? 16.241 115.989 118.379 1.00 18.37 ? ? ? ? ? ? 140 ILE G O 1 +ATOM 13006 C CB . ILE G 1 141 ? 16.632 113.012 118.345 1.00 18.65 ? ? ? ? ? ? 140 ILE G CB 1 +ATOM 13007 C CG1 . ILE G 1 141 ? 16.194 111.647 117.813 1.00 21.12 ? ? ? ? ? ? 140 ILE G CG1 1 +ATOM 13008 C CG2 . ILE G 1 141 ? 17.810 112.838 119.347 1.00 16.70 ? ? ? ? ? ? 140 ILE G CG2 1 +ATOM 13009 C CD1 . ILE G 1 141 ? 17.353 110.875 117.073 1.00 18.92 ? ? ? ? ? ? 140 ILE G CD1 1 +ATOM 13010 N N . ALA G 1 142 ? 16.002 115.545 120.588 1.00 19.52 ? ? ? ? ? ? 141 ALA G N 1 +ATOM 13011 C CA . ALA G 1 142 ? 16.612 116.795 121.082 1.00 18.54 ? ? ? ? ? ? 141 ALA G CA 1 +ATOM 13012 C C . ALA G 1 142 ? 17.936 116.476 121.770 1.00 18.21 ? ? ? ? ? ? 141 ALA G C 1 +ATOM 13013 O O . ALA G 1 142 ? 18.088 115.383 122.253 1.00 18.55 ? ? ? ? ? ? 141 ALA G O 1 +ATOM 13014 C CB . ALA G 1 142 ? 15.669 117.485 122.077 1.00 17.84 ? ? ? ? ? ? 141 ALA G CB 1 +ATOM 13015 N N . ALA G 1 143 ? 18.861 117.448 121.828 1.00 17.56 ? ? ? ? ? ? 142 ALA G N 1 +ATOM 13016 C CA . ALA G 1 143 ? 20.084 117.334 122.624 1.00 18.20 ? ? ? ? ? ? 142 ALA G CA 1 +ATOM 13017 C C . ALA G 1 143 ? 20.273 118.539 123.512 1.00 19.04 ? ? ? ? ? ? 142 ALA G C 1 +ATOM 13018 O O . ALA G 1 143 ? 19.969 119.629 123.108 1.00 19.58 ? ? ? ? ? ? 142 ALA G O 1 +ATOM 13019 C CB . ALA G 1 143 ? 21.299 117.171 121.742 1.00 17.30 ? ? ? ? ? ? 142 ALA G CB 1 +ATOM 13020 N N . ALA G 1 144 ? 20.814 118.337 124.716 1.00 19.82 ? ? ? ? ? ? 143 ALA G N 1 +ATOM 13021 C CA . ALA G 1 144 ? 21.222 119.435 125.596 1.00 20.42 ? ? ? ? ? ? 143 ALA G CA 1 +ATOM 13022 C C . ALA G 1 144 ? 22.418 119.057 126.464 1.00 20.62 ? ? ? ? ? ? 143 ALA G C 1 +ATOM 13023 O O . ALA G 1 144 ? 22.547 117.900 126.876 1.00 19.78 ? ? ? ? ? ? 143 ALA G O 1 +ATOM 13024 C CB . ALA G 1 144 ? 20.056 119.821 126.493 1.00 19.96 ? ? ? ? ? ? 143 ALA G CB 1 +ATOM 13025 N N . ASN G 1 145 ? 23.287 120.021 126.759 1.00 20.64 ? ? ? ? ? ? 144 ASN G N 1 +ATOM 13026 C CA . ASN G 1 145 ? 24.255 119.828 127.826 1.00 21.74 ? ? ? ? ? ? 144 ASN G CA 1 +ATOM 13027 C C . ASN G 1 145 ? 23.592 120.255 129.122 1.00 21.40 ? ? ? ? ? ? 144 ASN G C 1 +ATOM 13028 O O . ASN G 1 145 ? 23.083 121.373 129.172 1.00 21.25 ? ? ? ? ? ? 144 ASN G O 1 +ATOM 13029 C CB . ASN G 1 145 ? 25.509 120.690 127.630 1.00 22.42 ? ? ? ? ? ? 144 ASN G CB 1 +ATOM 13030 C CG . ASN G 1 145 ? 26.352 120.260 126.438 1.00 28.68 ? ? ? ? ? ? 144 ASN G CG 1 +ATOM 13031 O OD1 . ASN G 1 145 ? 26.842 119.123 126.366 1.00 28.07 ? ? ? ? ? ? 144 ASN G OD1 1 +ATOM 13032 N ND2 . ASN G 1 145 ? 26.542 121.190 125.492 1.00 23.04 ? ? ? ? ? ? 144 ASN G ND2 1 +ATOM 13033 N N . TRP G 1 146 ? 23.640 119.419 130.169 1.00 19.93 ? ? ? ? ? ? 145 TRP G N 1 +ATOM 13034 C CA . TRP G 1 146 ? 22.962 119.751 131.439 1.00 20.34 ? ? ? ? ? ? 145 TRP G CA 1 +ATOM 13035 C C . TRP G 1 146 ? 23.536 121.064 131.994 1.00 20.46 ? ? ? ? ? ? 145 TRP G C 1 +ATOM 13036 O O . TRP G 1 146 ? 22.836 121.824 132.620 1.00 20.47 ? ? ? ? ? ? 145 TRP G O 1 +ATOM 13037 C CB . TRP G 1 146 ? 23.076 118.619 132.502 1.00 19.48 ? ? ? ? ? ? 145 TRP G CB 1 +ATOM 13038 C CG . TRP G 1 146 ? 24.453 118.471 133.103 1.00 18.88 ? ? ? ? ? ? 145 TRP G CG 1 +ATOM 13039 C CD1 . TRP G 1 146 ? 25.425 117.617 132.676 1.00 19.75 ? ? ? ? ? ? 145 TRP G CD1 1 +ATOM 13040 C CD2 . TRP G 1 146 ? 25.033 119.216 134.190 1.00 22.46 ? ? ? ? ? ? 145 TRP G CD2 1 +ATOM 13041 N NE1 . TRP G 1 146 ? 26.568 117.767 133.423 1.00 22.45 ? ? ? ? ? ? 145 TRP G NE1 1 +ATOM 13042 C CE2 . TRP G 1 146 ? 26.363 118.753 134.354 1.00 17.56 ? ? ? ? ? ? 145 TRP G CE2 1 +ATOM 13043 C CE3 . TRP G 1 146 ? 24.568 120.236 135.035 1.00 22.76 ? ? ? ? ? ? 145 TRP G CE3 1 +ATOM 13044 C CZ2 . TRP G 1 146 ? 27.210 119.245 135.345 1.00 20.69 ? ? ? ? ? ? 145 TRP G CZ2 1 +ATOM 13045 C CZ3 . TRP G 1 146 ? 25.416 120.725 136.009 1.00 21.06 ? ? ? ? ? ? 145 TRP G CZ3 1 +ATOM 13046 C CH2 . TRP G 1 146 ? 26.724 120.244 136.152 1.00 21.01 ? ? ? ? ? ? 145 TRP G CH2 1 +ATOM 13047 N N . PHE G 1 147 ? 24.816 121.321 131.727 1.00 21.24 ? ? ? ? ? ? 146 PHE G N 1 +ATOM 13048 C CA . PHE G 1 147 ? 25.531 122.454 132.299 1.00 21.19 ? ? ? ? ? ? 146 PHE G CA 1 +ATOM 13049 C C . PHE G 1 147 ? 25.330 123.728 131.535 1.00 21.82 ? ? ? ? ? ? 146 PHE G C 1 +ATOM 13050 O O . PHE G 1 147 ? 25.842 124.755 131.936 1.00 23.87 ? ? ? ? ? ? 146 PHE G O 1 +ATOM 13051 C CB . PHE G 1 147 ? 27.024 122.157 132.442 1.00 21.97 ? ? ? ? ? ? 146 PHE G CB 1 +ATOM 13052 C CG . PHE G 1 147 ? 27.651 121.599 131.200 1.00 25.64 ? ? ? ? ? ? 146 PHE G CG 1 +ATOM 13053 C CD1 . PHE G 1 147 ? 28.173 122.455 130.208 1.00 28.69 ? ? ? ? ? ? 146 PHE G CD1 1 +ATOM 13054 C CD2 . PHE G 1 147 ? 27.719 120.227 130.998 1.00 21.78 ? ? ? ? ? ? 146 PHE G CD2 1 +ATOM 13055 C CE1 . PHE G 1 147 ? 28.755 121.924 129.035 1.00 26.74 ? ? ? ? ? ? 146 PHE G CE1 1 +ATOM 13056 C CE2 . PHE G 1 147 ? 28.303 119.704 129.834 1.00 25.75 ? ? ? ? ? ? 146 PHE G CE2 1 +ATOM 13057 C CZ . PHE G 1 147 ? 28.799 120.546 128.859 1.00 27.23 ? ? ? ? ? ? 146 PHE G CZ 1 +ATOM 13058 N N . GLU G 1 148 ? 24.532 123.675 130.478 1.00 21.74 ? ? ? ? ? ? 147 GLU G N 1 +ATOM 13059 C CA . GLU G 1 148 ? 24.121 124.836 129.730 1.00 21.79 ? ? ? ? ? ? 147 GLU G CA 1 +ATOM 13060 C C . GLU G 1 148 ? 22.666 125.232 129.958 1.00 22.28 ? ? ? ? ? ? 147 GLU G C 1 +ATOM 13061 O O . GLU G 1 148 ? 22.254 126.270 129.476 1.00 24.00 ? ? ? ? ? ? 147 GLU G O 1 +ATOM 13062 C CB . GLU G 1 148 ? 24.403 124.604 128.237 1.00 20.99 ? ? ? ? ? ? 147 GLU G CB 1 +ATOM 13063 C CG . GLU G 1 148 ? 25.908 124.670 127.926 1.00 22.32 ? ? ? ? ? ? 147 GLU G CG 1 +ATOM 13064 C CD . GLU G 1 148 ? 26.266 124.246 126.467 1.00 28.73 ? ? ? ? ? ? 147 GLU G CD 1 +ATOM 13065 O OE1 . GLU G 1 148 ? 25.382 123.676 125.739 1.00 29.80 ? ? ? ? ? ? 147 GLU G OE1 1 +ATOM 13066 O OE2 . GLU G 1 148 ? 27.448 124.461 126.076 1.00 33.02 ? ? ? ? ? ? 147 GLU G OE2 1 +ATOM 13067 N N . VAL G 1 149 ? 21.894 124.446 130.705 1.00 23.21 ? ? ? ? ? ? 148 VAL G N 1 +ATOM 13068 C CA . VAL G 1 149 ? 20.470 124.785 130.973 1.00 22.45 ? ? ? ? ? ? 148 VAL G CA 1 +ATOM 13069 C C . VAL G 1 149 ? 20.294 126.132 131.742 1.00 23.80 ? ? ? ? ? ? 148 VAL G C 1 +ATOM 13070 O O . VAL G 1 149 ? 19.460 126.989 131.397 1.00 22.58 ? ? ? ? ? ? 148 VAL G O 1 +ATOM 13071 C CB . VAL G 1 149 ? 19.770 123.627 131.728 1.00 24.25 ? ? ? ? ? ? 148 VAL G CB 1 +ATOM 13072 C CG1 . VAL G 1 149 ? 18.325 124.008 132.173 1.00 20.75 ? ? ? ? ? ? 148 VAL G CG1 1 +ATOM 13073 C CG2 . VAL G 1 149 ? 19.748 122.382 130.852 1.00 20.92 ? ? ? ? ? ? 148 VAL G CG2 1 +ATOM 13074 N N . VAL G 1 150 ? 21.129 126.308 132.761 1.00 23.61 ? ? ? ? ? ? 149 VAL G N 1 +ATOM 13075 C CA . VAL G 1 150 ? 21.154 127.503 133.607 1.00 23.07 ? ? ? ? ? ? 149 VAL G CA 1 +ATOM 13076 C C . VAL G 1 150 ? 22.595 128.023 133.675 1.00 24.03 ? ? ? ? ? ? 149 VAL G C 1 +ATOM 13077 O O . VAL G 1 150 ? 23.511 127.258 133.857 1.00 23.93 ? ? ? ? ? ? 149 VAL G O 1 +ATOM 13078 C CB . VAL G 1 150 ? 20.676 127.174 135.054 1.00 22.17 ? ? ? ? ? ? 149 VAL G CB 1 +ATOM 13079 C CG1 . VAL G 1 150 ? 20.876 128.355 135.983 1.00 24.11 ? ? ? ? ? ? 149 VAL G CG1 1 +ATOM 13080 C CG2 . VAL G 1 150 ? 19.222 126.730 135.050 1.00 19.62 ? ? ? ? ? ? 149 VAL G CG2 1 +ATOM 13081 N N . SER G 1 151 ? 22.779 129.318 133.493 1.00 26.30 ? ? ? ? ? ? 150 SER G N 1 +ATOM 13082 C CA . SER G 1 151 ? 24.089 129.946 133.609 1.00 29.24 ? ? ? ? ? ? 150 SER G CA 1 +ATOM 13083 C C . SER G 1 151 ? 24.702 129.798 135.010 1.00 29.77 ? ? ? ? ? ? 150 SER G C 1 +ATOM 13084 O O . SER G 1 151 ? 24.002 129.917 136.024 1.00 29.74 ? ? ? ? ? ? 150 SER G O 1 +ATOM 13085 C CB . SER G 1 151 ? 23.988 131.445 133.307 1.00 29.88 ? ? ? ? ? ? 150 SER G CB 1 +ATOM 13086 O OG . SER G 1 151 ? 25.125 132.125 133.805 1.00 29.39 ? ? ? ? ? ? 150 SER G OG 1 +ATOM 13087 N N . PRO G 1 152 ? 26.018 129.562 135.071 1.00 31.83 ? ? ? ? ? ? 151 PRO G N 1 +ATOM 13088 C CA . PRO G 1 152 ? 26.671 129.442 136.376 1.00 32.67 ? ? ? ? ? ? 151 PRO G CA 1 +ATOM 13089 C C . PRO G 1 152 ? 26.824 130.763 137.145 1.00 34.16 ? ? ? ? ? ? 151 PRO G C 1 +ATOM 13090 O O . PRO G 1 152 ? 27.163 130.743 138.327 1.00 33.85 ? ? ? ? ? ? 151 PRO G O 1 +ATOM 13091 C CB . PRO G 1 152 ? 28.052 128.898 136.015 1.00 33.31 ? ? ? ? ? ? 151 PRO G CB 1 +ATOM 13092 C CG . PRO G 1 152 ? 28.300 129.409 134.626 1.00 32.71 ? ? ? ? ? ? 151 PRO G CG 1 +ATOM 13093 C CD . PRO G 1 152 ? 26.964 129.346 133.954 1.00 32.58 ? ? ? ? ? ? 151 PRO G CD 1 +ATOM 13094 N N . LYS G 1 153 ? 26.609 131.904 136.499 1.00 31.74 ? ? ? ? ? ? 152 LYS G N 1 +ATOM 13095 C CA . LYS G 1 153 ? 26.851 133.191 137.165 1.00 32.73 ? ? ? ? ? ? 152 LYS G CA 1 +ATOM 13096 C C . LYS G 1 153 ? 25.930 133.362 138.397 1.00 31.06 ? ? ? ? ? ? 152 LYS G C 1 +ATOM 13097 O O . LYS G 1 153 ? 24.728 133.070 138.350 1.00 27.95 ? ? ? ? ? ? 152 LYS G O 1 +ATOM 13098 C CB . LYS G 1 153 ? 26.684 134.374 136.205 1.00 32.53 ? ? ? ? ? ? 152 LYS G CB 1 +ATOM 13099 C CG . LYS G 1 153 ? 27.128 135.737 136.796 1.00 31.96 ? ? ? ? ? ? 152 LYS G CG 1 +ATOM 13100 C CD . LYS G 1 153 ? 26.905 136.858 135.799 1.00 34.56 ? ? ? ? ? ? 152 LYS G CD 1 +ATOM 13101 C CE . LYS G 1 153 ? 27.496 138.194 136.255 1.00 37.05 ? ? ? ? ? ? 152 LYS G CE 1 +ATOM 13102 N NZ . LYS G 1 153 ? 29.036 138.186 136.295 1.00 34.98 ? ? ? ? ? ? 152 LYS G NZ 1 +ATOM 13103 N N . GLY G 1 154 ? 26.523 133.798 139.504 1.00 28.33 ? ? ? ? ? ? 153 GLY G N 1 +ATOM 13104 C CA . GLY G 1 154 ? 25.800 133.875 140.761 1.00 28.47 ? ? ? ? ? ? 153 GLY G CA 1 +ATOM 13105 C C . GLY G 1 154 ? 25.783 132.566 141.527 1.00 28.93 ? ? ? ? ? ? 153 GLY G C 1 +ATOM 13106 O O . GLY G 1 154 ? 25.381 132.568 142.688 1.00 31.38 ? ? ? ? ? ? 153 GLY G O 1 +ATOM 13107 N N . TYR G 1 155 ? 26.183 131.453 140.899 1.00 28.66 ? ? ? ? ? ? 154 TYR G N 1 +ATOM 13108 C CA . TYR G 1 155 ? 26.143 130.138 141.578 1.00 26.41 ? ? ? ? ? ? 154 TYR G CA 1 +ATOM 13109 C C . TYR G 1 155 ? 27.526 129.667 142.020 1.00 24.97 ? ? ? ? ? ? 154 TYR G C 1 +ATOM 13110 O O . TYR G 1 155 ? 27.652 128.971 143.015 1.00 25.98 ? ? ? ? ? ? 154 TYR G O 1 +ATOM 13111 C CB . TYR G 1 155 ? 25.457 129.068 140.715 1.00 25.67 ? ? ? ? ? ? 154 TYR G CB 1 +ATOM 13112 C CG . TYR G 1 155 ? 23.965 129.268 140.521 1.00 23.46 ? ? ? ? ? ? 154 TYR G CG 1 +ATOM 13113 C CD1 . TYR G 1 155 ? 23.031 128.775 141.446 1.00 23.40 ? ? ? ? ? ? 154 TYR G CD1 1 +ATOM 13114 C CD2 . TYR G 1 155 ? 23.478 129.925 139.406 1.00 19.58 ? ? ? ? ? ? 154 TYR G CD2 1 +ATOM 13115 C CE1 . TYR G 1 155 ? 21.636 128.976 141.256 1.00 22.82 ? ? ? ? ? ? 154 TYR G CE1 1 +ATOM 13116 C CE2 . TYR G 1 155 ? 22.125 130.101 139.217 1.00 21.96 ? ? ? ? ? ? 154 TYR G CE2 1 +ATOM 13117 C CZ . TYR G 1 155 ? 21.211 129.627 140.140 1.00 22.57 ? ? ? ? ? ? 154 TYR G CZ 1 +ATOM 13118 O OH . TYR G 1 155 ? 19.880 129.801 139.899 1.00 21.97 ? ? ? ? ? ? 154 TYR G OH 1 +ATOM 13119 N N . PHE G 1 156 ? 28.564 130.080 141.300 1.00 25.17 ? ? ? ? ? ? 155 PHE G N 1 +ATOM 13120 C CA . PHE G 1 156 ? 29.912 129.665 141.608 1.00 26.69 ? ? ? ? ? ? 155 PHE G CA 1 +ATOM 13121 C C . PHE G 1 156 ? 30.840 130.863 141.485 1.00 29.33 ? ? ? ? ? ? 155 PHE G C 1 +ATOM 13122 O O . PHE G 1 156 ? 30.590 131.769 140.699 1.00 31.28 ? ? ? ? ? ? 155 PHE G O 1 +ATOM 13123 C CB . PHE G 1 156 ? 30.345 128.506 140.677 1.00 26.19 ? ? ? ? ? ? 155 PHE G CB 1 +ATOM 13124 C CG . PHE G 1 156 ? 29.345 127.361 140.620 1.00 24.63 ? ? ? ? ? ? 155 PHE G CG 1 +ATOM 13125 C CD1 . PHE G 1 156 ? 29.274 126.430 141.643 1.00 20.11 ? ? ? ? ? ? 155 PHE G CD1 1 +ATOM 13126 C CD2 . PHE G 1 156 ? 28.434 127.276 139.582 1.00 21.91 ? ? ? ? ? ? 155 PHE G CD2 1 +ATOM 13127 C CE1 . PHE G 1 156 ? 28.350 125.420 141.620 1.00 21.43 ? ? ? ? ? ? 155 PHE G CE1 1 +ATOM 13128 C CE2 . PHE G 1 156 ? 27.489 126.262 139.535 1.00 22.85 ? ? ? ? ? ? 155 PHE G CE2 1 +ATOM 13129 C CZ . PHE G 1 156 ? 27.435 125.331 140.559 1.00 23.63 ? ? ? ? ? ? 155 PHE G CZ 1 +ATOM 13130 N N . GLU G 1 157 ? 31.923 130.825 142.256 1.00 31.99 ? ? ? ? ? ? 156 GLU G N 1 +ATOM 13131 C CA . GLU G 1 157 ? 32.895 131.921 142.349 1.00 37.09 ? ? ? ? ? ? 156 GLU G CA 1 +ATOM 13132 C C . GLU G 1 157 ? 33.942 131.904 141.251 1.00 34.18 ? ? ? ? ? ? 156 GLU G C 1 +ATOM 13133 O O . GLU G 1 157 ? 34.201 132.915 140.629 1.00 35.28 ? ? ? ? ? ? 156 GLU G O 1 +ATOM 13134 C CB . GLU G 1 157 ? 33.610 131.861 143.704 1.00 36.77 ? ? ? ? ? ? 156 GLU G CB 1 +ATOM 13135 C CG . GLU G 1 157 ? 32.642 131.805 144.902 1.00 46.78 ? ? ? ? ? ? 156 GLU G CG 1 +ATOM 13136 C CD . GLU G 1 157 ? 33.349 131.800 146.267 1.00 45.68 ? ? ? ? ? ? 156 GLU G CD 1 +ATOM 13137 O OE1 . GLU G 1 157 ? 34.283 132.628 146.453 1.00 56.74 ? ? ? ? ? ? 156 GLU G OE1 1 +ATOM 13138 O OE2 . GLU G 1 157 ? 32.966 130.962 147.138 1.00 47.26 ? ? ? ? ? ? 156 GLU G OE2 1 +ATOM 13139 N N . ALA G 1 158 ? 34.588 130.763 141.049 1.00 35.25 ? ? ? ? ? ? 157 ALA G N 1 +ATOM 13140 C CA . ALA G 1 158 ? 35.715 130.662 140.119 1.00 34.70 ? ? ? ? ? ? 157 ALA G CA 1 +ATOM 13141 C C . ALA G 1 158 ? 35.268 131.128 138.737 1.00 35.90 ? ? ? ? ? ? 157 ALA G C 1 +ATOM 13142 O O . ALA G 1 158 ? 34.193 130.737 138.271 1.00 35.77 ? ? ? ? ? ? 157 ALA G O 1 +ATOM 13143 C CB . ALA G 1 158 ? 36.213 129.233 140.065 1.00 33.55 ? ? ? ? ? ? 157 ALA G CB 1 +ATOM 13144 N N . GLU G 1 159 ? 36.080 131.947 138.076 1.00 37.66 ? ? ? ? ? ? 158 GLU G N 1 +ATOM 13145 C CA . GLU G 1 159 ? 35.695 132.473 136.769 1.00 41.02 ? ? ? ? ? ? 158 GLU G CA 1 +ATOM 13146 C C . GLU G 1 159 ? 35.998 131.517 135.613 1.00 37.97 ? ? ? ? ? ? 158 GLU G C 1 +ATOM 13147 O O . GLU G 1 159 ? 35.185 131.411 134.701 1.00 38.22 ? ? ? ? ? ? 158 GLU G O 1 +ATOM 13148 C CB . GLU G 1 159 ? 36.295 133.859 136.536 1.00 43.49 ? ? ? ? ? ? 158 GLU G CB 1 +ATOM 13149 C CG . GLU G 1 159 ? 35.443 134.964 137.196 1.00 48.91 ? ? ? ? ? ? 158 GLU G CG 1 +ATOM 13150 C CD . GLU G 1 159 ? 35.969 136.361 136.916 1.00 50.55 ? ? ? ? ? ? 158 GLU G CD 1 +ATOM 13151 O OE1 . GLU G 1 159 ? 37.188 136.499 136.605 1.00 64.14 ? ? ? ? ? ? 158 GLU G OE1 1 +ATOM 13152 O OE2 . GLU G 1 159 ? 35.152 137.312 137.010 1.00 58.93 ? ? ? ? ? ? 158 GLU G OE2 1 +ATOM 13153 N N . ILE G 1 160 ? 37.154 130.849 135.646 1.00 35.29 ? ? ? ? ? ? 159 ILE G N 1 +ATOM 13154 C CA . ILE G 1 160 ? 37.438 129.728 134.738 1.00 34.15 ? ? ? ? ? ? 159 ILE G CA 1 +ATOM 13155 C C . ILE G 1 160 ? 36.911 128.433 135.389 1.00 32.62 ? ? ? ? ? ? 159 ILE G C 1 +ATOM 13156 O O . ILE G 1 160 ? 37.220 128.101 136.541 1.00 30.51 ? ? ? ? ? ? 159 ILE G O 1 +ATOM 13157 C CB . ILE G 1 160 ? 38.948 129.605 134.400 1.00 36.17 ? ? ? ? ? ? 159 ILE G CB 1 +ATOM 13158 C CG1 . ILE G 1 160 ? 39.404 130.808 133.559 1.00 32.89 ? ? ? ? ? ? 159 ILE G CG1 1 +ATOM 13159 C CG2 . ILE G 1 160 ? 39.248 128.249 133.685 1.00 31.87 ? ? ? ? ? ? 159 ILE G CG2 1 +ATOM 13160 C CD1 . ILE G 1 160 ? 40.883 131.116 133.730 1.00 37.02 ? ? ? ? ? ? 159 ILE G CD1 1 +ATOM 13161 N N . ASP G 1 161 ? 36.070 127.741 134.636 1.00 31.56 ? ? ? ? ? ? 160 ASP G N 1 +ATOM 13162 C CA . ASP G 1 161 ? 35.363 126.557 135.125 1.00 32.50 ? ? ? ? ? ? 160 ASP G CA 1 +ATOM 13163 C C . ASP G 1 161 ? 34.909 125.750 133.905 1.00 31.97 ? ? ? ? ? ? 160 ASP G C 1 +ATOM 13164 O O . ASP G 1 161 ? 33.710 125.728 133.575 1.00 32.86 ? ? ? ? ? ? 160 ASP G O 1 +ATOM 13165 C CB . ASP G 1 161 ? 34.168 126.983 136.005 1.00 32.14 ? ? ? ? ? ? 160 ASP G CB 1 +ATOM 13166 C CG . ASP G 1 161 ? 33.498 125.804 136.710 1.00 34.23 ? ? ? ? ? ? 160 ASP G CG 1 +ATOM 13167 O OD1 . ASP G 1 161 ? 33.787 124.664 136.348 1.00 39.68 ? ? ? ? ? ? 160 ASP G OD1 1 +ATOM 13168 O OD2 . ASP G 1 161 ? 32.654 125.995 137.607 1.00 40.96 ? ? ? ? ? ? 160 ASP G OD2 1 +ATOM 13169 N N . ASP G 1 162 ? 35.876 125.115 133.236 1.00 31.23 ? ? ? ? ? ? 161 ASP G N 1 +ATOM 13170 C CA . ASP G 1 162 ? 35.604 124.389 131.996 1.00 30.56 ? ? ? ? ? ? 161 ASP G CA 1 +ATOM 13171 C C . ASP G 1 162 ? 35.475 122.882 132.154 1.00 29.45 ? ? ? ? ? ? 161 ASP G C 1 +ATOM 13172 O O . ASP G 1 162 ? 34.652 122.278 131.488 1.00 30.42 ? ? ? ? ? ? 161 ASP G O 1 +ATOM 13173 C CB . ASP G 1 162 ? 36.636 124.720 130.927 1.00 29.97 ? ? ? ? ? ? 161 ASP G CB 1 +ATOM 13174 C CG . ASP G 1 162 ? 36.431 126.109 130.333 1.00 36.43 ? ? ? ? ? ? 161 ASP G CG 1 +ATOM 13175 O OD1 . ASP G 1 162 ? 35.256 126.545 130.198 1.00 45.51 ? ? ? ? ? ? 161 ASP G OD1 1 +ATOM 13176 O OD2 . ASP G 1 162 ? 37.436 126.764 129.996 1.00 45.19 ? ? ? ? ? ? 161 ASP G OD2 1 +ATOM 13177 N N . HIS G 1 163 ? 36.247 122.292 133.055 1.00 26.41 ? ? ? ? ? ? 162 HIS G N 1 +ATOM 13178 C CA . HIS G 1 163 ? 36.320 120.845 133.215 1.00 23.66 ? ? ? ? ? ? 162 HIS G CA 1 +ATOM 13179 C C . HIS G 1 163 ? 36.808 120.478 134.622 1.00 22.32 ? ? ? ? ? ? 162 HIS G C 1 +ATOM 13180 O O . HIS G 1 163 ? 37.921 120.827 134.989 1.00 20.73 ? ? ? ? ? ? 162 HIS G O 1 +ATOM 13181 C CB . HIS G 1 163 ? 37.308 120.280 132.177 1.00 24.33 ? ? ? ? ? ? 162 HIS G CB 1 +ATOM 13182 C CG . HIS G 1 163 ? 37.547 118.808 132.303 1.00 21.25 ? ? ? ? ? ? 162 HIS G CG 1 +ATOM 13183 N ND1 . HIS G 1 163 ? 36.544 117.875 132.133 1.00 21.31 ? ? ? ? ? ? 162 HIS G ND1 1 +ATOM 13184 C CD2 . HIS G 1 163 ? 38.673 118.108 132.579 1.00 22.37 ? ? ? ? ? ? 162 HIS G CD2 1 +ATOM 13185 C CE1 . HIS G 1 163 ? 37.047 116.663 132.305 1.00 25.97 ? ? ? ? ? ? 162 HIS G CE1 1 +ATOM 13186 N NE2 . HIS G 1 163 ? 38.336 116.776 132.580 1.00 20.84 ? ? ? ? ? ? 162 HIS G NE2 1 +ATOM 13187 N N . ALA G 1 164 ? 35.989 119.755 135.381 1.00 21.14 ? ? ? ? ? ? 163 ALA G N 1 +ATOM 13188 C CA . ALA G 1 164 ? 36.342 119.308 136.733 1.00 21.50 ? ? ? ? ? ? 163 ALA G CA 1 +ATOM 13189 C C . ALA G 1 164 ? 36.563 120.517 137.652 1.00 23.44 ? ? ? ? ? ? 163 ALA G C 1 +ATOM 13190 O O . ALA G 1 164 ? 37.405 120.479 138.577 1.00 23.66 ? ? ? ? ? ? 163 ALA G O 1 +ATOM 13191 C CB . ALA G 1 164 ? 37.582 118.437 136.703 1.00 20.40 ? ? ? ? ? ? 163 ALA G CB 1 +ATOM 13192 N N . GLY G 1 165 ? 35.821 121.592 137.394 1.00 23.50 ? ? ? ? ? ? 164 GLY G N 1 +ATOM 13193 C CA . GLY G 1 165 ? 35.993 122.824 138.139 1.00 23.87 ? ? ? ? ? ? 164 GLY G CA 1 +ATOM 13194 C C . GLY G 1 165 ? 35.068 122.901 139.321 1.00 23.62 ? ? ? ? ? ? 164 GLY G C 1 +ATOM 13195 O O . GLY G 1 165 ? 34.715 121.899 139.918 1.00 23.70 ? ? ? ? ? ? 164 GLY G O 1 +ATOM 13196 N N . GLU G 1 166 ? 34.667 124.120 139.642 1.00 23.26 ? ? ? ? ? ? 165 GLU G N 1 +ATOM 13197 C CA . GLU G 1 166 ? 33.851 124.375 140.786 1.00 22.72 ? ? ? ? ? ? 165 GLU G CA 1 +ATOM 13198 C C . GLU G 1 166 ? 32.438 123.836 140.635 1.00 22.13 ? ? ? ? ? ? 165 GLU G C 1 +ATOM 13199 O O . GLU G 1 166 ? 31.886 123.288 141.593 1.00 22.80 ? ? ? ? ? ? 165 GLU G O 1 +ATOM 13200 C CB . GLU G 1 166 ? 33.824 125.890 141.073 1.00 24.63 ? ? ? ? ? ? 165 GLU G CB 1 +ATOM 13201 C CG . GLU G 1 166 ? 33.180 126.218 142.448 1.00 24.46 ? ? ? ? ? ? 165 GLU G CG 1 +ATOM 13202 C CD . GLU G 1 166 ? 33.295 127.681 142.844 1.00 27.09 ? ? ? ? ? ? 165 GLU G CD 1 +ATOM 13203 O OE1 . GLU G 1 166 ? 34.389 128.279 142.660 1.00 30.01 ? ? ? ? ? ? 165 GLU G OE1 1 +ATOM 13204 O OE2 . GLU G 1 166 ? 32.287 128.221 143.347 1.00 28.25 ? ? ? ? ? ? 165 GLU G OE2 1 +ATOM 13205 N N . SER G 1 167 ? 31.850 123.998 139.443 1.00 22.34 ? ? ? ? ? ? 166 SER G N 1 +ATOM 13206 C CA . SER G 1 167 ? 30.478 123.548 139.187 1.00 23.05 ? ? ? ? ? ? 166 SER G CA 1 +ATOM 13207 C C . SER G 1 167 ? 30.339 122.037 139.176 1.00 22.75 ? ? ? ? ? ? 166 SER G C 1 +ATOM 13208 O O . SER G 1 167 ? 29.479 121.507 139.854 1.00 24.78 ? ? ? ? ? ? 166 SER G O 1 +ATOM 13209 C CB . SER G 1 167 ? 29.909 124.134 137.893 1.00 21.94 ? ? ? ? ? ? 166 SER G CB 1 +ATOM 13210 O OG . SER G 1 167 ? 30.839 123.991 136.849 1.00 27.65 ? ? ? ? ? ? 166 SER G OG 1 +ATOM 13211 N N . GLU G 1 168 ? 31.150 121.349 138.386 1.00 23.32 ? ? ? ? ? ? 167 GLU G N 1 +ATOM 13212 C CA . GLU G 1 168 ? 31.089 119.895 138.363 1.00 22.93 ? ? ? ? ? ? 167 GLU G CA 1 +ATOM 13213 C C . GLU G 1 168 ? 31.422 119.339 139.740 1.00 21.12 ? ? ? ? ? ? 167 GLU G C 1 +ATOM 13214 O O . GLU G 1 168 ? 30.801 118.402 140.207 1.00 20.09 ? ? ? ? ? ? 167 GLU G O 1 +ATOM 13215 C CB . GLU G 1 168 ? 32.066 119.302 137.329 1.00 24.09 ? ? ? ? ? ? 167 GLU G CB 1 +ATOM 13216 C CG . GLU G 1 168 ? 31.449 119.020 135.979 1.00 23.60 ? ? ? ? ? ? 167 GLU G CG 1 +ATOM 13217 C CD . GLU G 1 168 ? 32.381 118.244 135.049 1.00 26.90 ? ? ? ? ? ? 167 GLU G CD 1 +ATOM 13218 O OE1 . GLU G 1 168 ? 33.619 118.488 135.073 1.00 20.44 ? ? ? ? ? ? 167 GLU G OE1 1 +ATOM 13219 O OE2 . GLU G 1 168 ? 31.854 117.407 134.275 1.00 21.16 ? ? ? ? ? ? 167 GLU G OE2 1 +ATOM 13220 N N . THR G 1 169 ? 32.454 119.901 140.368 1.00 20.59 ? ? ? ? ? ? 168 THR G N 1 +ATOM 13221 C CA . THR G 1 169 ? 32.812 119.461 141.715 1.00 20.41 ? ? ? ? ? ? 168 THR G CA 1 +ATOM 13222 C C . THR G 1 169 ? 31.665 119.610 142.702 1.00 20.50 ? ? ? ? ? ? 168 THR G C 1 +ATOM 13223 O O . THR G 1 169 ? 31.380 118.691 143.451 1.00 22.29 ? ? ? ? ? ? 168 THR G O 1 +ATOM 13224 C CB . THR G 1 169 ? 34.019 120.192 142.210 1.00 21.09 ? ? ? ? ? ? 168 THR G CB 1 +ATOM 13225 O OG1 . THR G 1 169 ? 35.102 119.932 141.303 1.00 18.33 ? ? ? ? ? ? 168 THR G OG1 1 +ATOM 13226 C CG2 . THR G 1 169 ? 34.379 119.706 143.619 1.00 15.34 ? ? ? ? ? ? 168 THR G CG2 1 +ATOM 13227 N N . SER G 1 170 ? 30.990 120.753 142.675 1.00 20.67 ? ? ? ? ? ? 169 SER G N 1 +ATOM 13228 C CA . SER G 1 170 ? 29.893 121.035 143.597 1.00 20.54 ? ? ? ? ? ? 169 SER G CA 1 +ATOM 13229 C C . SER G 1 170 ? 28.702 120.142 143.359 1.00 21.08 ? ? ? ? ? ? 169 SER G C 1 +ATOM 13230 O O . SER G 1 170 ? 28.050 119.662 144.297 1.00 21.17 ? ? ? ? ? ? 169 SER G O 1 +ATOM 13231 C CB . SER G 1 170 ? 29.471 122.497 143.453 1.00 21.23 ? ? ? ? ? ? 169 SER G CB 1 +ATOM 13232 O OG . SER G 1 170 ? 30.517 123.356 143.866 1.00 23.76 ? ? ? ? ? ? 169 SER G OG 1 +ATOM 13233 N N . VAL G 1 171 ? 28.394 119.906 142.090 1.00 21.24 ? ? ? ? ? ? 170 VAL G N 1 +ATOM 13234 C CA . VAL G 1 171 ? 27.282 119.012 141.766 1.00 20.00 ? ? ? ? ? ? 170 VAL G CA 1 +ATOM 13235 C C . VAL G 1 171 ? 27.603 117.571 142.203 1.00 20.20 ? ? ? ? ? ? 170 VAL G C 1 +ATOM 13236 O O . VAL G 1 171 ? 26.756 116.905 142.809 1.00 22.77 ? ? ? ? ? ? 170 VAL G O 1 +ATOM 13237 C CB . VAL G 1 171 ? 26.830 119.149 140.298 1.00 19.53 ? ? ? ? ? ? 170 VAL G CB 1 +ATOM 13238 C CG1 . VAL G 1 171 ? 25.669 118.202 140.015 1.00 18.34 ? ? ? ? ? ? 170 VAL G CG1 1 +ATOM 13239 C CG2 . VAL G 1 171 ? 26.403 120.606 140.027 1.00 17.15 ? ? ? ? ? ? 170 VAL G CG2 1 +ATOM 13240 N N . MSE G 1 172 ? 28.824 117.112 141.993 1.00 19.46 ? ? ? ? ? ? 171 MSE G N 1 +ATOM 13241 C CA . MSE G 1 172 ? 29.209 115.779 142.484 1.00 20.45 ? ? ? ? ? ? 171 MSE G CA 1 +ATOM 13242 C C . MSE G 1 172 ? 29.155 115.644 144.031 1.00 21.23 ? ? ? ? ? ? 171 MSE G C 1 +ATOM 13243 O O . MSE G 1 172 ? 28.663 114.620 144.561 1.00 21.44 ? ? ? ? ? ? 171 MSE G O 1 +ATOM 13244 C CB . MSE G 1 172 ? 30.592 115.376 141.964 1.00 20.25 ? ? ? ? ? ? 171 MSE G CB 1 +ATOM 13245 C CG . MSE G 1 172 ? 30.972 113.909 142.263 1.00 21.82 ? ? ? ? ? ? 171 MSE G CG 1 +ATOM 13246 SE SE . MSE G 1 172 ? 29.770 112.634 141.394 0.75 23.51 ? ? ? ? ? ? 171 MSE G SE 1 +ATOM 13247 C CE . MSE G 1 172 ? 30.273 113.079 139.505 1.00 19.11 ? ? ? ? ? ? 171 MSE G CE 1 +ATOM 13248 N N . MSE G 1 173 ? 29.611 116.683 144.743 1.00 21.83 ? ? ? ? ? ? 172 MSE G N 1 +ATOM 13249 C CA . MSE G 1 173 ? 29.535 116.720 146.203 1.00 21.81 ? ? ? ? ? ? 172 MSE G CA 1 +ATOM 13250 C C . MSE G 1 173 ? 28.081 116.620 146.689 1.00 22.28 ? ? ? ? ? ? 172 MSE G C 1 +ATOM 13251 O O . MSE G 1 173 ? 27.815 115.986 147.720 1.00 23.44 ? ? ? ? ? ? 172 MSE G O 1 +ATOM 13252 C CB . MSE G 1 173 ? 30.190 117.991 146.740 1.00 23.20 ? ? ? ? ? ? 172 MSE G CB 1 +ATOM 13253 C CG . MSE G 1 173 ? 31.674 117.974 146.586 1.00 22.83 ? ? ? ? ? ? 172 MSE G CG 1 +ATOM 13254 SE SE . MSE G 1 173 ? 32.612 119.608 147.044 0.75 27.11 ? ? ? ? ? ? 172 MSE G SE 1 +ATOM 13255 C CE . MSE G 1 173 ? 32.604 119.401 149.042 1.00 25.48 ? ? ? ? ? ? 172 MSE G CE 1 +ATOM 13256 N N . HIS G 1 174 ? 27.159 117.233 145.940 1.00 21.79 ? ? ? ? ? ? 173 HIS G N 1 +ATOM 13257 C CA . HIS G 1 174 ? 25.748 117.161 146.231 1.00 21.66 ? ? ? ? ? ? 173 HIS G CA 1 +ATOM 13258 C C . HIS G 1 174 ? 25.215 115.721 146.039 1.00 22.96 ? ? ? ? ? ? 173 HIS G C 1 +ATOM 13259 O O . HIS G 1 174 ? 24.740 115.080 146.969 1.00 22.57 ? ? ? ? ? ? 173 HIS G O 1 +ATOM 13260 C CB . HIS G 1 174 ? 24.982 118.194 145.383 1.00 21.17 ? ? ? ? ? ? 173 HIS G CB 1 +ATOM 13261 C CG . HIS G 1 174 ? 23.501 118.067 145.477 1.00 22.92 ? ? ? ? ? ? 173 HIS G CG 1 +ATOM 13262 N ND1 . HIS G 1 174 ? 22.819 118.145 146.671 1.00 23.54 ? ? ? ? ? ? 173 HIS G ND1 1 +ATOM 13263 C CD2 . HIS G 1 174 ? 22.563 117.846 144.522 1.00 24.05 ? ? ? ? ? ? 173 HIS G CD2 1 +ATOM 13264 C CE1 . HIS G 1 174 ? 21.525 117.981 146.450 1.00 23.70 ? ? ? ? ? ? 173 HIS G CE1 1 +ATOM 13265 N NE2 . HIS G 1 174 ? 21.344 117.783 145.155 1.00 22.85 ? ? ? ? ? ? 173 HIS G NE2 1 +ATOM 13266 N N . TYR G 1 175 ? 25.328 115.210 144.829 1.00 22.52 ? ? ? ? ? ? 174 TYR G N 1 +ATOM 13267 C CA . TYR G 1 175 ? 24.784 113.903 144.501 1.00 21.65 ? ? ? ? ? ? 174 TYR G CA 1 +ATOM 13268 C C . TYR G 1 175 ? 25.532 112.726 145.092 1.00 20.54 ? ? ? ? ? ? 174 TYR G C 1 +ATOM 13269 O O . TYR G 1 175 ? 24.885 111.731 145.487 1.00 19.44 ? ? ? ? ? ? 174 TYR G O 1 +ATOM 13270 C CB . TYR G 1 175 ? 24.719 113.722 142.977 1.00 20.21 ? ? ? ? ? ? 174 TYR G CB 1 +ATOM 13271 C CG . TYR G 1 175 ? 23.578 114.473 142.360 1.00 21.01 ? ? ? ? ? ? 174 TYR G CG 1 +ATOM 13272 C CD1 . TYR G 1 175 ? 22.268 114.224 142.745 1.00 20.95 ? ? ? ? ? ? 174 TYR G CD1 1 +ATOM 13273 C CD2 . TYR G 1 175 ? 23.808 115.438 141.398 1.00 17.75 ? ? ? ? ? ? 174 TYR G CD2 1 +ATOM 13274 C CE1 . TYR G 1 175 ? 21.207 114.920 142.155 1.00 24.34 ? ? ? ? ? ? 174 TYR G CE1 1 +ATOM 13275 C CE2 . TYR G 1 175 ? 22.779 116.119 140.815 1.00 21.14 ? ? ? ? ? ? 174 TYR G CE2 1 +ATOM 13276 C CZ . TYR G 1 175 ? 21.472 115.853 141.182 1.00 22.18 ? ? ? ? ? ? 174 TYR G CZ 1 +ATOM 13277 O OH . TYR G 1 175 ? 20.456 116.571 140.574 1.00 19.01 ? ? ? ? ? ? 174 TYR G OH 1 +ATOM 13278 N N . HIS G 1 176 ? 26.871 112.809 145.112 1.00 21.82 ? ? ? ? ? ? 175 HIS G N 1 +ATOM 13279 C CA . HIS G 1 176 ? 27.733 111.697 145.588 1.00 22.07 ? ? ? ? ? ? 175 HIS G CA 1 +ATOM 13280 C C . HIS G 1 176 ? 28.962 112.172 146.368 1.00 23.33 ? ? ? ? ? ? 175 HIS G C 1 +ATOM 13281 O O . HIS G 1 176 ? 30.117 112.065 145.891 1.00 23.71 ? ? ? ? ? ? 175 HIS G O 1 +ATOM 13282 C CB . HIS G 1 176 ? 28.180 110.814 144.420 1.00 20.97 ? ? ? ? ? ? 175 HIS G CB 1 +ATOM 13283 C CG . HIS G 1 176 ? 27.054 110.139 143.726 1.00 21.39 ? ? ? ? ? ? 175 HIS G CG 1 +ATOM 13284 N ND1 . HIS G 1 176 ? 26.547 108.925 144.138 1.00 24.16 ? ? ? ? ? ? 175 HIS G ND1 1 +ATOM 13285 C CD2 . HIS G 1 176 ? 26.309 110.516 142.656 1.00 23.87 ? ? ? ? ? ? 175 HIS G CD2 1 +ATOM 13286 C CE1 . HIS G 1 176 ? 25.528 108.594 143.361 1.00 27.82 ? ? ? ? ? ? 175 HIS G CE1 1 +ATOM 13287 N NE2 . HIS G 1 176 ? 25.356 109.548 142.462 1.00 25.61 ? ? ? ? ? ? 175 HIS G NE2 1 +ATOM 13288 N N . PRO G 1 177 ? 28.742 112.664 147.603 1.00 25.11 ? ? ? ? ? ? 176 PRO G N 1 +ATOM 13289 C CA . PRO G 1 177 ? 29.880 113.132 148.391 1.00 26.06 ? ? ? ? ? ? 176 PRO G CA 1 +ATOM 13290 C C . PRO G 1 177 ? 30.942 112.042 148.608 1.00 26.12 ? ? ? ? ? ? 176 PRO G C 1 +ATOM 13291 O O . PRO G 1 177 ? 32.126 112.347 148.647 1.00 27.02 ? ? ? ? ? ? 176 PRO G O 1 +ATOM 13292 C CB . PRO G 1 177 ? 29.256 113.570 149.712 1.00 25.62 ? ? ? ? ? ? 176 PRO G CB 1 +ATOM 13293 C CG . PRO G 1 177 ? 27.845 113.010 149.703 1.00 25.16 ? ? ? ? ? ? 176 PRO G CG 1 +ATOM 13294 C CD . PRO G 1 177 ? 27.456 112.806 148.310 1.00 25.09 ? ? ? ? ? ? 176 PRO G CD 1 +ATOM 13295 N N . GLU G 1 178 ? 30.508 110.784 148.703 1.00 27.13 ? ? ? ? ? ? 177 GLU G N 1 +ATOM 13296 C CA . GLU G 1 178 ? 31.426 109.671 148.898 1.00 27.59 ? ? ? ? ? ? 177 GLU G CA 1 +ATOM 13297 C C . GLU G 1 178 ? 32.417 109.486 147.725 1.00 27.41 ? ? ? ? ? ? 177 GLU G C 1 +ATOM 13298 O O . GLU G 1 178 ? 33.474 108.879 147.896 1.00 26.90 ? ? ? ? ? ? 177 GLU G O 1 +ATOM 13299 C CB . GLU G 1 178 ? 30.644 108.368 149.196 1.00 27.60 ? ? ? ? ? ? 177 GLU G CB 1 +ATOM 13300 C CG . GLU G 1 178 ? 29.963 107.693 147.977 1.00 32.74 ? ? ? ? ? ? 177 GLU G CG 1 +ATOM 13301 C CD . GLU G 1 178 ? 28.660 108.338 147.495 1.00 35.06 ? ? ? ? ? ? 177 GLU G CD 1 +ATOM 13302 O OE1 . GLU G 1 178 ? 28.232 109.381 148.057 1.00 32.57 ? ? ? ? ? ? 177 GLU G OE1 1 +ATOM 13303 O OE2 . GLU G 1 178 ? 28.066 107.797 146.523 1.00 35.85 ? ? ? ? ? ? 177 GLU G OE2 1 +ATOM 13304 N N . LEU G 1 179 ? 32.110 110.035 146.550 1.00 26.50 ? ? ? ? ? ? 178 LEU G N 1 +ATOM 13305 C CA . LEU G 1 179 ? 32.955 109.805 145.376 1.00 25.88 ? ? ? ? ? ? 178 LEU G CA 1 +ATOM 13306 C C . LEU G 1 179 ? 33.982 110.914 145.121 1.00 26.83 ? ? ? ? ? ? 178 LEU G C 1 +ATOM 13307 O O . LEU G 1 179 ? 34.814 110.777 144.232 1.00 28.61 ? ? ? ? ? ? 178 LEU G O 1 +ATOM 13308 C CB . LEU G 1 179 ? 32.104 109.540 144.114 1.00 26.27 ? ? ? ? ? ? 178 LEU G CB 1 +ATOM 13309 C CG . LEU G 1 179 ? 31.399 108.200 144.091 1.00 24.86 ? ? ? ? ? ? 178 LEU G CG 1 +ATOM 13310 C CD1 . LEU G 1 179 ? 30.468 108.107 142.895 1.00 23.58 ? ? ? ? ? ? 178 LEU G CD1 1 +ATOM 13311 C CD2 . LEU G 1 179 ? 32.477 107.094 144.075 1.00 25.09 ? ? ? ? ? ? 178 LEU G CD2 1 +ATOM 13312 N N . VAL G 1 180 ? 33.950 111.984 145.911 1.00 27.02 ? ? ? ? ? ? 179 VAL G N 1 +ATOM 13313 C CA . VAL G 1 180 ? 34.892 113.068 145.760 1.00 26.76 ? ? ? ? ? ? 179 VAL G CA 1 +ATOM 13314 C C . VAL G 1 180 ? 35.457 113.474 147.130 1.00 28.28 ? ? ? ? ? ? 179 VAL G C 1 +ATOM 13315 O O . VAL G 1 180 ? 34.717 113.653 148.102 1.00 28.72 ? ? ? ? ? ? 179 VAL G O 1 +ATOM 13316 C CB . VAL G 1 180 ? 34.278 114.297 144.927 1.00 28.86 ? ? ? ? ? ? 179 VAL G CB 1 +ATOM 13317 C CG1 . VAL G 1 180 ? 32.886 114.678 145.379 1.00 25.82 ? ? ? ? ? ? 179 VAL G CG1 1 +ATOM 13318 C CG2 . VAL G 1 180 ? 35.214 115.520 144.938 1.00 26.45 ? ? ? ? ? ? 179 VAL G CG2 1 +ATOM 13319 N N . ASN G 1 181 ? 36.781 113.565 147.217 1.00 29.23 ? ? ? ? ? ? 180 ASN G N 1 +ATOM 13320 C CA . ASN G 1 181 ? 37.450 114.210 148.338 1.00 31.77 ? ? ? ? ? ? 180 ASN G CA 1 +ATOM 13321 C C . ASN G 1 181 ? 38.161 115.474 147.826 1.00 27.78 ? ? ? ? ? ? 180 ASN G C 1 +ATOM 13322 O O . ASN G 1 181 ? 39.229 115.397 147.217 1.00 27.02 ? ? ? ? ? ? 180 ASN G O 1 +ATOM 13323 C CB . ASN G 1 181 ? 38.458 113.260 149.020 1.00 35.47 ? ? ? ? ? ? 180 ASN G CB 1 +ATOM 13324 C CG . ASN G 1 181 ? 39.264 113.952 150.149 1.00 46.64 ? ? ? ? ? ? 180 ASN G CG 1 +ATOM 13325 O OD1 . ASN G 1 181 ? 38.711 114.706 150.956 1.00 57.40 ? ? ? ? ? ? 180 ASN G OD1 1 +ATOM 13326 N ND2 . ASN G 1 181 ? 40.566 113.681 150.203 1.00 52.62 ? ? ? ? ? ? 180 ASN G ND2 1 +ATOM 13327 N N . LEU G 1 182 ? 37.564 116.633 148.090 1.00 27.20 ? ? ? ? ? ? 181 LEU G N 1 +ATOM 13328 C CA . LEU G 1 182 ? 38.018 117.896 147.496 1.00 27.23 ? ? ? ? ? ? 181 LEU G CA 1 +ATOM 13329 C C . LEU G 1 182 ? 39.468 118.249 147.816 1.00 27.45 ? ? ? ? ? ? 181 LEU G C 1 +ATOM 13330 O O . LEU G 1 182 ? 40.130 118.976 147.044 1.00 27.07 ? ? ? ? ? ? 181 LEU G O 1 +ATOM 13331 C CB . LEU G 1 182 ? 37.095 119.023 147.948 1.00 27.89 ? ? ? ? ? ? 181 LEU G CB 1 +ATOM 13332 C CG . LEU G 1 182 ? 37.403 120.389 147.374 1.00 29.53 ? ? ? ? ? ? 181 LEU G CG 1 +ATOM 13333 C CD1 . LEU G 1 182 ? 37.335 120.299 145.824 1.00 27.28 ? ? ? ? ? ? 181 LEU G CD1 1 +ATOM 13334 C CD2 . LEU G 1 182 ? 36.486 121.416 147.957 1.00 25.39 ? ? ? ? ? ? 181 LEU G CD2 1 +ATOM 13335 N N . ALA G 1 183 ? 39.947 117.755 148.966 1.00 28.37 ? ? ? ? ? ? 182 ALA G N 1 +ATOM 13336 C CA . ALA G 1 183 ? 41.328 117.975 149.415 1.00 28.81 ? ? ? ? ? ? 182 ALA G CA 1 +ATOM 13337 C C . ALA G 1 183 ? 42.388 117.384 148.464 1.00 30.25 ? ? ? ? ? ? 182 ALA G C 1 +ATOM 13338 O O . ALA G 1 183 ? 43.544 117.835 148.452 1.00 30.54 ? ? ? ? ? ? 182 ALA G O 1 +ATOM 13339 C CB . ALA G 1 183 ? 41.491 117.410 150.784 1.00 29.49 ? ? ? ? ? ? 182 ALA G CB 1 +ATOM 13340 N N . GLU G 1 184 ? 41.999 116.384 147.662 1.00 30.88 ? ? ? ? ? ? 183 GLU G N 1 +ATOM 13341 C CA . GLU G 1 184 ? 42.878 115.801 146.641 1.00 31.47 ? ? ? ? ? ? 183 GLU G CA 1 +ATOM 13342 C C . GLU G 1 184 ? 42.975 116.618 145.320 1.00 28.11 ? ? ? ? ? ? 183 GLU G C 1 +ATOM 13343 O O . GLU G 1 184 ? 43.819 116.327 144.480 1.00 27.53 ? ? ? ? ? ? 183 GLU G O 1 +ATOM 13344 C CB . GLU G 1 184 ? 42.414 114.373 146.314 1.00 31.46 ? ? ? ? ? ? 183 GLU G CB 1 +ATOM 13345 C CG . GLU G 1 184 ? 42.511 113.374 147.460 1.00 36.87 ? ? ? ? ? ? 183 GLU G CG 1 +ATOM 13346 C CD . GLU G 1 184 ? 41.590 112.137 147.291 1.00 39.18 ? ? ? ? ? ? 183 GLU G CD 1 +ATOM 13347 O OE1 . GLU G 1 184 ? 41.110 111.848 146.149 1.00 43.81 ? ? ? ? ? ? 183 GLU G OE1 1 +ATOM 13348 O OE2 . GLU G 1 184 ? 41.369 111.450 148.319 1.00 42.42 ? ? ? ? ? ? 183 GLU G OE2 1 +ATOM 13349 N N . ALA G 1 185 ? 42.134 117.637 145.126 1.00 26.79 ? ? ? ? ? ? 184 ALA G N 1 +ATOM 13350 C CA . ALA G 1 185 ? 42.135 118.372 143.856 1.00 25.64 ? ? ? ? ? ? 184 ALA G CA 1 +ATOM 13351 C C . ALA G 1 185 ? 43.416 119.134 143.722 1.00 26.39 ? ? ? ? ? ? 184 ALA G C 1 +ATOM 13352 O O . ALA G 1 185 ? 43.917 119.640 144.718 1.00 27.43 ? ? ? ? ? ? 184 ALA G O 1 +ATOM 13353 C CB . ALA G 1 185 ? 40.938 119.347 143.781 1.00 24.33 ? ? ? ? ? ? 184 ALA G CB 1 +ATOM 13354 N N . GLY G 1 186 ? 43.939 119.208 142.497 1.00 26.04 ? ? ? ? ? ? 185 GLY G N 1 +ATOM 13355 C CA . GLY G 1 186 ? 44.910 120.229 142.112 1.00 24.71 ? ? ? ? ? ? 185 GLY G CA 1 +ATOM 13356 C C . GLY G 1 186 ? 44.186 121.508 141.698 1.00 24.97 ? ? ? ? ? ? 185 GLY G C 1 +ATOM 13357 O O . GLY G 1 186 ? 42.963 121.548 141.641 1.00 24.95 ? ? ? ? ? ? 185 GLY G O 1 +ATOM 13358 N N . ASP G 1 187 ? 44.934 122.549 141.366 1.00 26.40 ? ? ? ? ? ? 186 ASP G N 1 +ATOM 13359 C CA . ASP G 1 187 ? 44.368 123.871 141.048 1.00 29.16 ? ? ? ? ? ? 186 ASP G CA 1 +ATOM 13360 C C . ASP G 1 187 ? 43.640 124.003 139.696 1.00 27.49 ? ? ? ? ? ? 186 ASP G C 1 +ATOM 13361 O O . ASP G 1 187 ? 43.009 125.043 139.418 1.00 27.06 ? ? ? ? ? ? 186 ASP G O 1 +ATOM 13362 C CB . ASP G 1 187 ? 45.501 124.907 141.045 1.00 32.62 ? ? ? ? ? ? 186 ASP G CB 1 +ATOM 13363 C CG . ASP G 1 187 ? 45.928 125.334 142.443 1.00 43.46 ? ? ? ? ? ? 186 ASP G CG 1 +ATOM 13364 O OD1 . ASP G 1 187 ? 45.248 124.971 143.438 1.00 56.85 ? ? ? ? ? ? 186 ASP G OD1 1 +ATOM 13365 O OD2 . ASP G 1 187 ? 46.943 126.058 142.538 1.00 53.96 ? ? ? ? ? ? 186 ASP G OD2 1 +ATOM 13366 N N . GLY G 1 188 ? 43.786 123.003 138.829 1.00 27.43 ? ? ? ? ? ? 187 GLY G N 1 +ATOM 13367 C CA . GLY G 1 188 ? 43.229 123.044 137.470 1.00 26.66 ? ? ? ? ? ? 187 GLY G CA 1 +ATOM 13368 C C . GLY G 1 188 ? 43.708 124.228 136.645 1.00 27.09 ? ? ? ? ? ? 187 GLY G C 1 +ATOM 13369 O O . GLY G 1 188 ? 42.915 124.848 135.903 1.00 25.91 ? ? ? ? ? ? 187 GLY G O 1 +ATOM 13370 N N . GLU G 1 189 ? 44.991 124.557 136.768 1.00 27.99 ? ? ? ? ? ? 188 GLU G N 1 +ATOM 13371 C CA . GLU G 1 189 ? 45.561 125.672 136.009 1.00 30.62 ? ? ? ? ? ? 188 GLU G CA 1 +ATOM 13372 C C . GLU G 1 189 ? 45.631 125.238 134.546 1.00 30.64 ? ? ? ? ? ? 188 GLU G C 1 +ATOM 13373 O O . GLU G 1 189 ? 45.929 124.079 134.253 1.00 30.18 ? ? ? ? ? ? 188 GLU G O 1 +ATOM 13374 C CB . GLU G 1 189 ? 46.953 126.053 136.525 1.00 30.22 ? ? ? ? ? ? 188 GLU G CB 1 +ATOM 13375 N N . SER G 1 190 ? 45.351 126.179 133.646 1.00 31.95 ? ? ? ? ? ? 189 SER G N 1 +ATOM 13376 C CA . SER G 1 190 ? 45.367 125.938 132.200 1.00 33.03 ? ? ? ? ? ? 189 SER G CA 1 +ATOM 13377 C C . SER G 1 190 ? 46.154 127.018 131.419 1.00 33.81 ? ? ? ? ? ? 189 SER G C 1 +ATOM 13378 O O . SER G 1 190 ? 46.254 128.175 131.845 1.00 34.95 ? ? ? ? ? ? 189 SER G O 1 +ATOM 13379 C CB . SER G 1 190 ? 43.934 125.828 131.656 1.00 33.17 ? ? ? ? ? ? 189 SER G CB 1 +ATOM 13380 O OG . SER G 1 190 ? 43.137 126.933 132.067 1.00 39.11 ? ? ? ? ? ? 189 SER G OG 1 +ATOM 13381 N N . LYS G 1 191 ? 46.719 126.618 130.287 1.00 32.38 ? ? ? ? ? ? 190 LYS G N 1 +ATOM 13382 C CA . LYS G 1 191 ? 47.477 127.508 129.431 1.00 34.48 ? ? ? ? ? ? 190 LYS G CA 1 +ATOM 13383 C C . LYS G 1 191 ? 46.709 127.728 128.137 1.00 32.15 ? ? ? ? ? ? 190 LYS G C 1 +ATOM 13384 O O . LYS G 1 191 ? 46.052 126.803 127.639 1.00 30.84 ? ? ? ? ? ? 190 LYS G O 1 +ATOM 13385 C CB . LYS G 1 191 ? 48.847 126.912 129.103 1.00 35.73 ? ? ? ? ? ? 190 LYS G CB 1 +ATOM 13386 C CG . LYS G 1 191 ? 49.819 126.974 130.272 1.00 43.59 ? ? ? ? ? ? 190 LYS G CG 1 +ATOM 13387 C CD . LYS G 1 191 ? 51.256 126.728 129.818 1.00 48.40 ? ? ? ? ? ? 190 LYS G CD 1 +ATOM 13388 C CE . LYS G 1 191 ? 52.213 126.769 131.019 1.00 54.26 ? ? ? ? ? ? 190 LYS G CE 1 +ATOM 13389 N NZ . LYS G 1 191 ? 53.630 126.571 130.587 1.00 55.63 ? ? ? ? ? ? 190 LYS G NZ 1 +ATOM 13390 N N . PRO G 1 192 ? 46.766 128.969 127.604 1.00 31.10 ? ? ? ? ? ? 191 PRO G N 1 +ATOM 13391 C CA . PRO G 1 192 ? 46.127 129.313 126.344 1.00 29.75 ? ? ? ? ? ? 191 PRO G CA 1 +ATOM 13392 C C . PRO G 1 192 ? 46.991 128.984 125.117 1.00 27.51 ? ? ? ? ? ? 191 PRO G C 1 +ATOM 13393 O O . PRO G 1 192 ? 48.160 128.584 125.252 1.00 26.55 ? ? ? ? ? ? 191 PRO G O 1 +ATOM 13394 C CB . PRO G 1 192 ? 45.960 130.824 126.474 1.00 31.72 ? ? ? ? ? ? 191 PRO G CB 1 +ATOM 13395 C CG . PRO G 1 192 ? 47.194 131.235 127.220 1.00 30.91 ? ? ? ? ? ? 191 PRO G CG 1 +ATOM 13396 C CD . PRO G 1 192 ? 47.426 130.143 128.216 1.00 30.70 ? ? ? ? ? ? 191 PRO G CD 1 +ATOM 13397 N N . PHE G 1 193 ? 46.423 129.165 123.925 1.00 26.53 ? ? ? ? ? ? 192 PHE G N 1 +ATOM 13398 C CA . PHE G 1 193 ? 47.175 128.948 122.689 1.00 25.70 ? ? ? ? ? ? 192 PHE G CA 1 +ATOM 13399 C C . PHE G 1 193 ? 48.190 130.090 122.512 1.00 26.12 ? ? ? ? ? ? 192 PHE G C 1 +ATOM 13400 O O . PHE G 1 193 ? 48.057 131.164 123.113 1.00 25.48 ? ? ? ? ? ? 192 PHE G O 1 +ATOM 13401 C CB . PHE G 1 193 ? 46.254 128.927 121.461 1.00 25.41 ? ? ? ? ? ? 192 PHE G CB 1 +ATOM 13402 C CG . PHE G 1 193 ? 45.177 127.860 121.506 1.00 22.86 ? ? ? ? ? ? 192 PHE G CG 1 +ATOM 13403 C CD1 . PHE G 1 193 ? 45.510 126.525 121.461 1.00 26.66 ? ? ? ? ? ? 192 PHE G CD1 1 +ATOM 13404 C CD2 . PHE G 1 193 ? 43.844 128.213 121.554 1.00 24.79 ? ? ? ? ? ? 192 PHE G CD2 1 +ATOM 13405 C CE1 . PHE G 1 193 ? 44.514 125.546 121.479 1.00 28.51 ? ? ? ? ? ? 192 PHE G CE1 1 +ATOM 13406 C CE2 . PHE G 1 193 ? 42.845 127.254 121.602 1.00 26.02 ? ? ? ? ? ? 192 PHE G CE2 1 +ATOM 13407 C CZ . PHE G 1 193 ? 43.188 125.914 121.551 1.00 24.25 ? ? ? ? ? ? 192 PHE G CZ 1 +ATOM 13408 N N . ALA G 1 194 ? 49.175 129.834 121.667 1.00 26.32 ? ? ? ? ? ? 193 ALA G N 1 +ATOM 13409 C CA . ALA G 1 194 ? 50.168 130.836 121.242 1.00 27.21 ? ? ? ? ? ? 193 ALA G CA 1 +ATOM 13410 C C . ALA G 1 194 ? 49.644 131.647 120.066 1.00 28.16 ? ? ? ? ? ? 193 ALA G C 1 +ATOM 13411 O O . ALA G 1 194 ? 50.276 132.624 119.662 1.00 29.35 ? ? ? ? ? ? 193 ALA G O 1 +ATOM 13412 C CB . ALA G 1 194 ? 51.453 130.149 120.828 1.00 24.25 ? ? ? ? ? ? 193 ALA G CB 1 +ATOM 13413 N N . ILE G 1 195 ? 48.499 131.221 119.506 1.00 28.20 ? ? ? ? ? ? 194 ILE G N 1 +ATOM 13414 C CA . ILE G 1 195 ? 47.843 131.884 118.360 1.00 25.43 ? ? ? ? ? ? 194 ILE G CA 1 +ATOM 13415 C C . ILE G 1 195 ? 46.690 132.680 118.931 1.00 26.44 ? ? ? ? ? ? 194 ILE G C 1 +ATOM 13416 O O . ILE G 1 195 ? 45.682 132.109 119.302 1.00 26.85 ? ? ? ? ? ? 194 ILE G O 1 +ATOM 13417 C CB . ILE G 1 195 ? 47.357 130.839 117.294 1.00 27.13 ? ? ? ? ? ? 194 ILE G CB 1 +ATOM 13418 C CG1 . ILE G 1 195 ? 48.550 129.985 116.796 1.00 24.97 ? ? ? ? ? ? 194 ILE G CG1 1 +ATOM 13419 C CG2 . ILE G 1 195 ? 46.684 131.504 116.110 1.00 22.85 ? ? ? ? ? ? 194 ILE G CG2 1 +ATOM 13420 C CD1 . ILE G 1 195 ? 48.155 128.852 115.864 1.00 24.52 ? ? ? ? ? ? 194 ILE G CD1 1 +ATOM 13421 N N . ALA G 1 196 ? 46.872 134.005 119.019 1.00 25.96 ? ? ? ? ? ? 195 ALA G N 1 +ATOM 13422 C CA . ALA G 1 196 ? 45.962 134.916 119.697 1.00 24.89 ? ? ? ? ? ? 195 ALA G CA 1 +ATOM 13423 C C . ALA G 1 196 ? 44.537 134.810 119.183 1.00 24.48 ? ? ? ? ? ? 195 ALA G C 1 +ATOM 13424 O O . ALA G 1 196 ? 43.611 134.753 119.967 1.00 25.47 ? ? ? ? ? ? 195 ALA G O 1 +ATOM 13425 C CB . ALA G 1 196 ? 46.486 136.378 119.571 1.00 25.71 ? ? ? ? ? ? 195 ALA G CB 1 +ATOM 13426 N N . SER G 1 197 ? 44.381 134.736 117.857 1.00 24.55 ? ? ? ? ? ? 196 SER G N 1 +ATOM 13427 C CA . SER G 1 197 ? 43.074 134.620 117.194 1.00 23.45 ? ? ? ? ? ? 196 SER G CA 1 +ATOM 13428 C C . SER G 1 197 ? 42.301 133.415 117.655 1.00 23.65 ? ? ? ? ? ? 196 SER G C 1 +ATOM 13429 O O . SER G 1 197 ? 41.076 133.470 117.707 1.00 23.38 ? ? ? ? ? ? 196 SER G O 1 +ATOM 13430 C CB . SER G 1 197 ? 43.206 134.564 115.660 1.00 23.72 ? ? ? ? ? ? 196 SER G CB 1 +ATOM 13431 O OG . SER G 1 197 ? 43.731 135.766 115.103 1.00 23.31 ? ? ? ? ? ? 196 SER G OG 1 +ATOM 13432 N N . LEU G 1 198 ? 42.994 132.328 118.014 1.00 23.75 ? ? ? ? ? ? 197 LEU G N 1 +ATOM 13433 C CA . LEU G 1 198 ? 42.301 131.160 118.567 1.00 24.17 ? ? ? ? ? ? 197 LEU G CA 1 +ATOM 13434 C C . LEU G 1 198 ? 41.837 131.399 120.001 1.00 25.26 ? ? ? ? ? ? 197 LEU G C 1 +ATOM 13435 O O . LEU G 1 198 ? 40.755 130.938 120.374 1.00 25.74 ? ? ? ? ? ? 197 LEU G O 1 +ATOM 13436 C CB . LEU G 1 198 ? 43.116 129.883 118.446 1.00 20.66 ? ? ? ? ? ? 197 LEU G CB 1 +ATOM 13437 C CG . LEU G 1 198 ? 43.615 129.458 117.070 1.00 23.12 ? ? ? ? ? ? 197 LEU G CG 1 +ATOM 13438 C CD1 . LEU G 1 198 ? 44.437 128.149 117.213 1.00 22.43 ? ? ? ? ? ? 197 LEU G CD1 1 +ATOM 13439 C CD2 . LEU G 1 198 ? 42.484 129.264 116.107 1.00 17.56 ? ? ? ? ? ? 197 LEU G CD2 1 +ATOM 13440 N N . ASN G 1 199 ? 42.619 132.137 120.806 1.00 26.87 ? ? ? ? ? ? 198 ASN G N 1 +ATOM 13441 C CA . ASN G 1 199 ? 42.125 132.558 122.146 1.00 27.21 ? ? ? ? ? ? 198 ASN G CA 1 +ATOM 13442 C C . ASN G 1 199 ? 40.916 133.486 122.042 1.00 27.81 ? ? ? ? ? ? 198 ASN G C 1 +ATOM 13443 O O . ASN G 1 199 ? 39.986 133.367 122.818 1.00 27.65 ? ? ? ? ? ? 198 ASN G O 1 +ATOM 13444 C CB . ASN G 1 199 ? 43.248 133.150 122.994 1.00 28.10 ? ? ? ? ? ? 198 ASN G CB 1 +ATOM 13445 C CG . ASN G 1 199 ? 44.404 132.187 123.148 1.00 23.66 ? ? ? ? ? ? 198 ASN G CG 1 +ATOM 13446 O OD1 . ASN G 1 199 ? 44.200 131.004 123.430 1.00 26.86 ? ? ? ? ? ? 198 ASN G OD1 1 +ATOM 13447 N ND2 . ASN G 1 199 ? 45.605 132.662 122.906 1.00 22.76 ? ? ? ? ? ? 198 ASN G ND2 1 +ATOM 13448 N N . GLU G 1 200 ? 40.901 134.346 121.018 1.00 28.98 ? ? ? ? ? ? 199 GLU G N 1 +ATOM 13449 C CA . GLU G 1 200 ? 39.790 135.268 120.752 1.00 30.87 ? ? ? ? ? ? 199 GLU G CA 1 +ATOM 13450 C C . GLU G 1 200 ? 38.606 134.572 120.095 1.00 30.09 ? ? ? ? ? ? 199 GLU G C 1 +ATOM 13451 O O . GLU G 1 200 ? 37.554 135.185 119.918 1.00 29.63 ? ? ? ? ? ? 199 GLU G O 1 +ATOM 13452 C CB . GLU G 1 200 ? 40.233 136.405 119.805 1.00 30.79 ? ? ? ? ? ? 199 GLU G CB 1 +ATOM 13453 C CG . GLU G 1 200 ? 41.408 137.281 120.303 1.00 37.80 ? ? ? ? ? ? 199 GLU G CG 1 +ATOM 13454 C CD . GLU G 1 200 ? 42.244 137.930 119.160 1.00 38.68 ? ? ? ? ? ? 199 GLU G CD 1 +ATOM 13455 O OE1 . GLU G 1 200 ? 41.720 138.118 118.038 1.00 49.56 ? ? ? ? ? ? 199 GLU G OE1 1 +ATOM 13456 O OE2 . GLU G 1 200 ? 43.432 138.254 119.393 1.00 52.59 ? ? ? ? ? ? 199 GLU G OE2 1 +ATOM 13457 N N . LYS G 1 201 ? 38.776 133.315 119.693 1.00 29.81 ? ? ? ? ? ? 200 LYS G N 1 +ATOM 13458 C CA . LYS G 1 201 ? 37.689 132.506 119.131 1.00 30.05 ? ? ? ? ? ? 200 LYS G CA 1 +ATOM 13459 C C . LYS G 1 201 ? 37.215 132.982 117.754 1.00 27.62 ? ? ? ? ? ? 200 LYS G C 1 +ATOM 13460 O O . LYS G 1 201 ? 36.054 132.857 117.404 1.00 27.83 ? ? ? ? ? ? 200 LYS G O 1 +ATOM 13461 C CB . LYS G 1 201 ? 36.533 132.357 120.136 1.00 31.03 ? ? ? ? ? ? 200 LYS G CB 1 +ATOM 13462 C CG . LYS G 1 201 ? 36.991 131.588 121.393 1.00 37.72 ? ? ? ? ? ? 200 LYS G CG 1 +ATOM 13463 C CD . LYS G 1 201 ? 36.015 131.640 122.555 1.00 39.46 ? ? ? ? ? ? 200 LYS G CD 1 +ATOM 13464 C CE . LYS G 1 201 ? 36.713 131.209 123.870 1.00 48.84 ? ? ? ? ? ? 200 LYS G CE 1 +ATOM 13465 N NZ . LYS G 1 201 ? 37.501 129.927 123.760 1.00 54.83 ? ? ? ? ? ? 200 LYS G NZ 1 +ATOM 13466 N N . VAL G 1 202 ? 38.155 133.521 116.985 1.00 25.26 ? ? ? ? ? ? 201 VAL G N 1 +ATOM 13467 C CA . VAL G 1 202 ? 37.971 133.816 115.572 1.00 24.49 ? ? ? ? ? ? 201 VAL G CA 1 +ATOM 13468 C C . VAL G 1 202 ? 37.741 132.465 114.842 1.00 24.27 ? ? ? ? ? ? 201 VAL G C 1 +ATOM 13469 O O . VAL G 1 202 ? 36.904 132.378 113.935 1.00 23.01 ? ? ? ? ? ? 201 VAL G O 1 +ATOM 13470 C CB . VAL G 1 202 ? 39.226 134.516 114.975 1.00 23.49 ? ? ? ? ? ? 201 VAL G CB 1 +ATOM 13471 C CG1 . VAL G 1 202 ? 39.139 134.644 113.444 1.00 22.16 ? ? ? ? ? ? 201 VAL G CG1 1 +ATOM 13472 C CG2 . VAL G 1 202 ? 39.443 135.903 115.633 1.00 24.30 ? ? ? ? ? ? 201 VAL G CG2 1 +ATOM 13473 N N . ALA G 1 203 ? 38.501 131.443 115.271 1.00 22.77 ? ? ? ? ? ? 202 ALA G N 1 +ATOM 13474 C CA . ALA G 1 203 ? 38.395 130.061 114.787 1.00 21.14 ? ? ? ? ? ? 202 ALA G CA 1 +ATOM 13475 C C . ALA G 1 203 ? 38.530 129.097 115.964 1.00 21.98 ? ? ? ? ? ? 202 ALA G C 1 +ATOM 13476 O O . ALA G 1 203 ? 39.023 129.477 117.019 1.00 21.85 ? ? ? ? ? ? 202 ALA G O 1 +ATOM 13477 C CB . ALA G 1 203 ? 39.466 129.780 113.757 1.00 20.19 ? ? ? ? ? ? 202 ALA G CB 1 +ATOM 13478 N N . TRP G 1 204 ? 38.072 127.858 115.772 1.00 22.34 ? ? ? ? ? ? 203 TRP G N 1 +ATOM 13479 C CA . TRP G 1 204 ? 38.147 126.817 116.796 1.00 20.74 ? ? ? ? ? ? 203 TRP G CA 1 +ATOM 13480 C C . TRP G 1 204 ? 39.184 125.744 116.467 1.00 20.51 ? ? ? ? ? ? 203 TRP G C 1 +ATOM 13481 O O . TRP G 1 204 ? 39.292 125.288 115.324 1.00 18.66 ? ? ? ? ? ? 203 TRP G O 1 +ATOM 13482 C CB . TRP G 1 204 ? 36.789 126.165 116.990 1.00 21.59 ? ? ? ? ? ? 203 TRP G CB 1 +ATOM 13483 C CG . TRP G 1 204 ? 36.755 125.093 118.051 1.00 19.17 ? ? ? ? ? ? 203 TRP G CG 1 +ATOM 13484 C CD1 . TRP G 1 204 ? 36.448 125.243 119.379 1.00 22.74 ? ? ? ? ? ? 203 TRP G CD1 1 +ATOM 13485 C CD2 . TRP G 1 204 ? 36.991 123.703 117.851 1.00 18.27 ? ? ? ? ? ? 203 TRP G CD2 1 +ATOM 13486 N NE1 . TRP G 1 204 ? 36.490 124.003 120.026 1.00 19.70 ? ? ? ? ? ? 203 TRP G NE1 1 +ATOM 13487 C CE2 . TRP G 1 204 ? 36.841 123.055 119.108 1.00 20.76 ? ? ? ? ? ? 203 TRP G CE2 1 +ATOM 13488 C CE3 . TRP G 1 204 ? 37.340 122.933 116.733 1.00 22.11 ? ? ? ? ? ? 203 TRP G CE3 1 +ATOM 13489 C CZ2 . TRP G 1 204 ? 37.011 121.675 119.261 1.00 26.14 ? ? ? ? ? ? 203 TRP G CZ2 1 +ATOM 13490 C CZ3 . TRP G 1 204 ? 37.504 121.567 116.895 1.00 21.73 ? ? ? ? ? ? 203 TRP G CZ3 1 +ATOM 13491 C CH2 . TRP G 1 204 ? 37.339 120.956 118.142 1.00 21.51 ? ? ? ? ? ? 203 TRP G CH2 1 +ATOM 13492 N N . VAL G 1 205 ? 39.945 125.393 117.509 1.00 20.23 ? ? ? ? ? ? 204 VAL G N 1 +ATOM 13493 C CA . VAL G 1 205 ? 40.890 124.274 117.556 1.00 20.54 ? ? ? ? ? ? 204 VAL G CA 1 +ATOM 13494 C C . VAL G 1 205 ? 40.711 123.636 118.933 1.00 21.51 ? ? ? ? ? ? 204 VAL G C 1 +ATOM 13495 O O . VAL G 1 205 ? 40.426 124.332 119.899 1.00 21.51 ? ? ? ? ? ? 204 VAL G O 1 +ATOM 13496 C CB . VAL G 1 205 ? 42.348 124.732 117.340 1.00 20.86 ? ? ? ? ? ? 204 VAL G CB 1 +ATOM 13497 C CG1 . VAL G 1 205 ? 43.390 123.611 117.717 1.00 21.90 ? ? ? ? ? ? 204 VAL G CG1 1 +ATOM 13498 C CG2 . VAL G 1 205 ? 42.514 125.173 115.912 1.00 19.20 ? ? ? ? ? ? 204 VAL G CG2 1 +ATOM 13499 N N . PRO G 1 206 ? 40.818 122.300 119.020 1.00 21.33 ? ? ? ? ? ? 205 PRO G N 1 +ATOM 13500 C CA . PRO G 1 206 ? 40.710 121.707 120.339 1.00 22.62 ? ? ? ? ? ? 205 PRO G CA 1 +ATOM 13501 C C . PRO G 1 206 ? 41.916 122.010 121.243 1.00 23.15 ? ? ? ? ? ? 205 PRO G C 1 +ATOM 13502 O O . PRO G 1 206 ? 43.066 122.043 120.784 1.00 22.97 ? ? ? ? ? ? 205 PRO G O 1 +ATOM 13503 C CB . PRO G 1 206 ? 40.624 120.198 120.040 1.00 23.71 ? ? ? ? ? ? 205 PRO G CB 1 +ATOM 13504 C CG . PRO G 1 206 ? 41.255 120.019 118.749 1.00 21.92 ? ? ? ? ? ? 205 PRO G CG 1 +ATOM 13505 C CD . PRO G 1 206 ? 40.998 121.281 117.973 1.00 22.03 ? ? ? ? ? ? 205 PRO G CD 1 +ATOM 13506 N N . ARG G 1 207 ? 41.627 122.197 122.526 1.00 23.59 ? ? ? ? ? ? 206 ARG G N 1 +ATOM 13507 C CA . ARG G 1 207 ? 42.662 122.312 123.520 1.00 25.20 ? ? ? ? ? ? 206 ARG G CA 1 +ATOM 13508 C C . ARG G 1 207 ? 43.447 121.017 123.539 1.00 22.91 ? ? ? ? ? ? 206 ARG G C 1 +ATOM 13509 O O . ARG G 1 207 ? 42.843 119.943 123.520 1.00 21.59 ? ? ? ? ? ? 206 ARG G O 1 +ATOM 13510 C CB . ARG G 1 207 ? 42.053 122.562 124.897 1.00 26.01 ? ? ? ? ? ? 206 ARG G CB 1 +ATOM 13511 C CG . ARG G 1 207 ? 43.071 122.730 126.030 1.00 31.85 ? ? ? ? ? ? 206 ARG G CG 1 +ATOM 13512 C CD . ARG G 1 207 ? 42.410 122.654 127.440 1.00 34.76 ? ? ? ? ? ? 206 ARG G CD 1 +ATOM 13513 N NE . ARG G 1 207 ? 41.122 123.373 127.576 1.00 42.12 ? ? ? ? ? ? 206 ARG G NE 1 +ATOM 13514 C CZ . ARG G 1 207 ? 40.981 124.691 127.797 1.00 49.06 ? ? ? ? ? ? 206 ARG G CZ 1 +ATOM 13515 N NH1 . ARG G 1 207 ? 42.042 125.518 127.881 1.00 45.65 ? ? ? ? ? ? 206 ARG G NH1 1 +ATOM 13516 N NH2 . ARG G 1 207 ? 39.747 125.193 127.937 1.00 47.93 ? ? ? ? ? ? 206 ARG G NH2 1 +ATOM 13517 N N . HIS G 1 208 ? 44.788 121.139 123.588 1.00 22.93 ? ? ? ? ? ? 207 HIS G N 1 +ATOM 13518 C CA . HIS G 1 208 ? 45.695 120.003 123.791 1.00 22.79 ? ? ? ? ? ? 207 HIS G CA 1 +ATOM 13519 C C . HIS G 1 208 ? 45.940 119.882 125.298 1.00 24.18 ? ? ? ? ? ? 207 HIS G C 1 +ATOM 13520 O O . HIS G 1 208 ? 46.564 120.748 125.882 1.00 23.64 ? ? ? ? ? ? 207 HIS G O 1 +ATOM 13521 C CB . HIS G 1 208 ? 47.006 120.197 123.029 1.00 21.71 ? ? ? ? ? ? 207 HIS G CB 1 +ATOM 13522 C CG . HIS G 1 208 ? 46.841 120.130 121.541 1.00 22.34 ? ? ? ? ? ? 207 HIS G CG 1 +ATOM 13523 N ND1 . HIS G 1 208 ? 47.816 119.635 120.697 1.00 27.19 ? ? ? ? ? ? 207 HIS G ND1 1 +ATOM 13524 C CD2 . HIS G 1 208 ? 45.789 120.451 120.751 1.00 22.51 ? ? ? ? ? ? 207 HIS G CD2 1 +ATOM 13525 C CE1 . HIS G 1 208 ? 47.378 119.688 119.452 1.00 25.22 ? ? ? ? ? ? 207 HIS G CE1 1 +ATOM 13526 N NE2 . HIS G 1 208 ? 46.148 120.174 119.460 1.00 21.65 ? ? ? ? ? ? 207 HIS G NE2 1 +ATOM 13527 N N . TRP G 1 209 ? 45.431 118.804 125.902 1.00 24.45 ? ? ? ? ? ? 208 TRP G N 1 +ATOM 13528 C CA . TRP G 1 209 ? 45.419 118.629 127.364 1.00 24.35 ? ? ? ? ? ? 208 TRP G CA 1 +ATOM 13529 C C . TRP G 1 209 ? 46.832 118.518 127.906 1.00 25.67 ? ? ? ? ? ? 208 TRP G C 1 +ATOM 13530 O O . TRP G 1 209 ? 47.149 119.064 128.991 1.00 25.80 ? ? ? ? ? ? 208 TRP G O 1 +ATOM 13531 C CB . TRP G 1 209 ? 44.587 117.406 127.764 1.00 24.57 ? ? ? ? ? ? 208 TRP G CB 1 +ATOM 13532 C CG . TRP G 1 209 ? 43.368 117.718 128.582 1.00 24.30 ? ? ? ? ? ? 208 TRP G CG 1 +ATOM 13533 C CD1 . TRP G 1 209 ? 43.192 117.454 129.899 1.00 23.91 ? ? ? ? ? ? 208 TRP G CD1 1 +ATOM 13534 C CD2 . TRP G 1 209 ? 42.167 118.360 128.133 1.00 24.90 ? ? ? ? ? ? 208 TRP G CD2 1 +ATOM 13535 N NE1 . TRP G 1 209 ? 41.957 117.882 130.305 1.00 26.35 ? ? ? ? ? ? 208 TRP G NE1 1 +ATOM 13536 C CE2 . TRP G 1 209 ? 41.309 118.451 129.244 1.00 24.99 ? ? ? ? ? ? 208 TRP G CE2 1 +ATOM 13537 C CE3 . TRP G 1 209 ? 41.722 118.835 126.885 1.00 22.95 ? ? ? ? ? ? 208 TRP G CE3 1 +ATOM 13538 C CZ2 . TRP G 1 209 ? 40.035 119.016 129.170 1.00 25.27 ? ? ? ? ? ? 208 TRP G CZ2 1 +ATOM 13539 C CZ3 . TRP G 1 209 ? 40.473 119.418 126.809 1.00 26.93 ? ? ? ? ? ? 208 TRP G CZ3 1 +ATOM 13540 C CH2 . TRP G 1 209 ? 39.634 119.496 127.948 1.00 29.45 ? ? ? ? ? ? 208 TRP G CH2 1 +ATOM 13541 N N . ASP G 1 210 ? 47.686 117.837 127.140 1.00 26.03 ? ? ? ? ? ? 209 ASP G N 1 +ATOM 13542 C CA . ASP G 1 210 ? 49.113 117.712 127.469 1.00 28.07 ? ? ? ? ? ? 209 ASP G CA 1 +ATOM 13543 C C . ASP G 1 210 ? 49.827 119.068 127.568 1.00 29.32 ? ? ? ? ? ? 209 ASP G C 1 +ATOM 13544 O O . ASP G 1 210 ? 50.654 119.251 128.453 1.00 30.23 ? ? ? ? ? ? 209 ASP G O 1 +ATOM 13545 C CB . ASP G 1 210 ? 49.839 116.721 126.523 1.00 28.59 ? ? ? ? ? ? 209 ASP G CB 1 +ATOM 13546 C CG . ASP G 1 210 ? 49.857 117.165 125.062 1.00 31.47 ? ? ? ? ? ? 209 ASP G CG 1 +ATOM 13547 O OD1 . ASP G 1 210 ? 48.801 117.557 124.526 1.00 32.93 ? ? ? ? ? ? 209 ASP G OD1 1 +ATOM 13548 O OD2 . ASP G 1 210 ? 50.934 117.081 124.430 1.00 36.87 ? ? ? ? ? ? 209 ASP G OD2 1 +ATOM 13549 N N . LYS G 1 211 ? 49.463 120.027 126.726 1.00 29.62 ? ? ? ? ? ? 210 LYS G N 1 +ATOM 13550 C CA . LYS G 1 211 ? 50.073 121.360 126.726 1.00 29.89 ? ? ? ? ? ? 210 LYS G CA 1 +ATOM 13551 C C . LYS G 1 211 ? 49.301 122.377 127.566 1.00 29.85 ? ? ? ? ? ? 210 LYS G C 1 +ATOM 13552 O O . LYS G 1 211 ? 49.869 123.352 128.057 1.00 31.38 ? ? ? ? ? ? 210 LYS G O 1 +ATOM 13553 C CB . LYS G 1 211 ? 50.172 121.893 125.291 1.00 31.13 ? ? ? ? ? ? 210 LYS G CB 1 +ATOM 13554 C CG . LYS G 1 211 ? 50.834 120.943 124.275 1.00 32.73 ? ? ? ? ? ? 210 LYS G CG 1 +ATOM 13555 C CD . LYS G 1 211 ? 52.335 121.064 124.239 1.00 39.96 ? ? ? ? ? ? 210 LYS G CD 1 +ATOM 13556 C CE . LYS G 1 211 ? 52.910 120.281 123.044 1.00 45.53 ? ? ? ? ? ? 210 LYS G CE 1 +ATOM 13557 N NZ . LYS G 1 211 ? 54.412 120.089 123.127 1.00 51.19 ? ? ? ? ? ? 210 LYS G NZ 1 +ATOM 13558 N N . ALA G 1 212 ? 48.009 122.156 127.738 1.00 28.95 ? ? ? ? ? ? 211 ALA G N 1 +ATOM 13559 C CA . ALA G 1 212 ? 47.144 123.135 128.400 1.00 29.12 ? ? ? ? ? ? 211 ALA G CA 1 +ATOM 13560 C C . ALA G 1 212 ? 46.887 122.898 129.879 1.00 30.28 ? ? ? ? ? ? 211 ALA G C 1 +ATOM 13561 O O . ALA G 1 212 ? 46.486 123.827 130.554 1.00 32.15 ? ? ? ? ? ? 211 ALA G O 1 +ATOM 13562 C CB . ALA G 1 212 ? 45.784 123.216 127.708 1.00 29.71 ? ? ? ? ? ? 211 ALA G CB 1 +ATOM 13563 N N . THR G 1 213 ? 47.038 121.683 130.390 1.00 30.29 ? ? ? ? ? ? 212 THR G N 1 +ATOM 13564 C CA A THR G 1 213 ? 46.651 121.357 131.769 0.50 31.05 ? ? ? ? ? ? 212 THR G CA 1 +ATOM 13565 C CA B THR G 1 213 ? 46.731 121.484 131.802 0.50 30.30 ? ? ? ? ? ? 212 THR G CA 1 +ATOM 13566 C C . THR G 1 213 ? 47.777 120.611 132.480 1.00 32.24 ? ? ? ? ? ? 212 THR G C 1 +ATOM 13567 O O . THR G 1 213 ? 48.573 119.967 131.836 1.00 35.31 ? ? ? ? ? ? 212 THR G O 1 +ATOM 13568 C CB A THR G 1 213 ? 45.425 120.421 131.809 0.50 29.56 ? ? ? ? ? ? 212 THR G CB 1 +ATOM 13569 C CB B THR G 1 213 ? 45.258 121.010 132.029 0.50 28.58 ? ? ? ? ? ? 212 THR G CB 1 +ATOM 13570 O OG1 A THR G 1 213 ? 45.850 119.097 131.482 0.50 30.03 ? ? ? ? ? ? 212 THR G OG1 1 +ATOM 13571 O OG1 B THR G 1 213 ? 44.971 120.955 133.434 0.50 23.70 ? ? ? ? ? ? 212 THR G OG1 1 +ATOM 13572 C CG2 A THR G 1 213 ? 44.337 120.861 130.843 0.50 25.38 ? ? ? ? ? ? 212 THR G CG2 1 +ATOM 13573 C CG2 B THR G 1 213 ? 45.004 119.670 131.397 0.50 23.86 ? ? ? ? ? ? 212 THR G CG2 1 +ATOM 13574 N N . VAL G 1 214 ? 47.793 120.656 133.805 1.00 32.84 ? ? ? ? ? ? 213 VAL G N 1 +ATOM 13575 C CA . VAL G 1 214 ? 48.807 119.971 134.606 1.00 33.43 ? ? ? ? ? ? 213 VAL G CA 1 +ATOM 13576 C C . VAL G 1 214 ? 48.234 118.698 135.212 1.00 31.49 ? ? ? ? ? ? 213 VAL G C 1 +ATOM 13577 O O . VAL G 1 214 ? 48.861 117.648 135.188 1.00 31.77 ? ? ? ? ? ? 213 VAL G O 1 +ATOM 13578 C CB . VAL G 1 214 ? 49.265 120.855 135.793 1.00 36.40 ? ? ? ? ? ? 213 VAL G CB 1 +ATOM 13579 C CG1 . VAL G 1 214 ? 50.539 120.279 136.405 1.00 38.61 ? ? ? ? ? ? 213 VAL G CG1 1 +ATOM 13580 C CG2 . VAL G 1 214 ? 49.424 122.365 135.369 1.00 38.27 ? ? ? ? ? ? 213 VAL G CG2 1 +ATOM 13581 N N . ASP G 1 215 ? 47.030 118.828 135.757 1.00 29.20 ? ? ? ? ? ? 214 ASP G N 1 +ATOM 13582 C CA . ASP G 1 215 ? 46.407 117.772 136.545 1.00 29.10 ? ? ? ? ? ? 214 ASP G CA 1 +ATOM 13583 C C . ASP G 1 215 ? 45.162 117.204 135.860 1.00 27.56 ? ? ? ? ? ? 214 ASP G C 1 +ATOM 13584 O O . ASP G 1 215 ? 44.450 116.361 136.441 1.00 26.03 ? ? ? ? ? ? 214 ASP G O 1 +ATOM 13585 C CB . ASP G 1 215 ? 46.087 118.302 137.957 1.00 30.51 ? ? ? ? ? ? 214 ASP G CB 1 +ATOM 13586 C CG . ASP G 1 215 ? 45.204 119.573 137.952 1.00 34.00 ? ? ? ? ? ? 214 ASP G CG 1 +ATOM 13587 O OD1 . ASP G 1 215 ? 44.302 119.674 137.098 1.00 30.68 ? ? ? ? ? ? 214 ASP G OD1 1 +ATOM 13588 O OD2 . ASP G 1 215 ? 45.414 120.461 138.817 1.00 32.19 ? ? ? ? ? ? 214 ASP G OD2 1 +ATOM 13589 N N . SER G 1 216 ? 44.920 117.686 134.634 1.00 26.10 ? ? ? ? ? ? 215 SER G N 1 +ATOM 13590 C CA . SER G 1 216 ? 43.798 117.316 133.765 1.00 25.55 ? ? ? ? ? ? 215 SER G CA 1 +ATOM 13591 C C . SER G 1 216 ? 42.506 118.145 133.986 1.00 25.50 ? ? ? ? ? ? 215 SER G C 1 +ATOM 13592 O O . SER G 1 216 ? 41.602 118.079 133.172 1.00 26.71 ? ? ? ? ? ? 215 SER G O 1 +ATOM 13593 C CB . SER G 1 216 ? 43.518 115.808 133.767 1.00 24.47 ? ? ? ? ? ? 215 SER G CB 1 +ATOM 13594 O OG . SER G 1 216 ? 42.622 115.431 134.795 1.00 27.05 ? ? ? ? ? ? 215 SER G OG 1 +ATOM 13595 N N . GLY G 1 217 ? 42.452 118.960 135.041 1.00 24.17 ? ? ? ? ? ? 216 GLY G N 1 +ATOM 13596 C CA . GLY G 1 217 ? 41.361 119.893 135.254 1.00 22.76 ? ? ? ? ? ? 216 GLY G CA 1 +ATOM 13597 C C . GLY G 1 217 ? 41.540 121.185 134.484 1.00 22.66 ? ? ? ? ? ? 216 GLY G C 1 +ATOM 13598 O O . GLY G 1 217 ? 42.654 121.540 134.096 1.00 22.42 ? ? ? ? ? ? 216 GLY G O 1 +ATOM 13599 N N . VAL G 1 218 ? 40.434 121.873 134.222 1.00 23.32 ? ? ? ? ? ? 217 VAL G N 1 +ATOM 13600 C CA . VAL G 1 218 ? 40.491 123.228 133.664 1.00 24.10 ? ? ? ? ? ? 217 VAL G CA 1 +ATOM 13601 C C . VAL G 1 218 ? 39.587 124.131 134.504 1.00 24.69 ? ? ? ? ? ? 217 VAL G C 1 +ATOM 13602 O O . VAL G 1 218 ? 38.376 124.216 134.293 1.00 24.36 ? ? ? ? ? ? 217 VAL G O 1 +ATOM 13603 C CB . VAL G 1 218 ? 40.093 123.301 132.179 1.00 26.54 ? ? ? ? ? ? 217 VAL G CB 1 +ATOM 13604 C CG1 . VAL G 1 218 ? 40.182 124.749 131.680 1.00 25.01 ? ? ? ? ? ? 217 VAL G CG1 1 +ATOM 13605 C CG2 . VAL G 1 218 ? 40.958 122.408 131.332 1.00 23.72 ? ? ? ? ? ? 217 VAL G CG2 1 +ATOM 13606 N N . GLY G 1 219 ? 40.194 124.778 135.490 1.00 25.35 ? ? ? ? ? ? 218 GLY G N 1 +ATOM 13607 C CA . GLY G 1 219 ? 39.483 125.596 136.455 1.00 25.64 ? ? ? ? ? ? 218 GLY G CA 1 +ATOM 13608 C C . GLY G 1 219 ? 39.734 125.081 137.855 1.00 26.50 ? ? ? ? ? ? 218 GLY G C 1 +ATOM 13609 O O . GLY G 1 219 ? 39.761 123.865 138.086 1.00 26.37 ? ? ? ? ? ? 218 GLY G O 1 +ATOM 13610 N N . ASN G 1 220 ? 39.879 126.019 138.789 1.00 27.11 ? ? ? ? ? ? 219 ASN G N 1 +ATOM 13611 C CA . ASN G 1 220 ? 40.126 125.721 140.187 1.00 26.51 ? ? ? ? ? ? 219 ASN G CA 1 +ATOM 13612 C C . ASN G 1 220 ? 38.860 125.309 140.937 1.00 24.33 ? ? ? ? ? ? 219 ASN G C 1 +ATOM 13613 O O . ASN G 1 220 ? 37.903 126.096 141.057 1.00 25.05 ? ? ? ? ? ? 219 ASN G O 1 +ATOM 13614 C CB . ASN G 1 220 ? 40.755 126.932 140.867 1.00 29.10 ? ? ? ? ? ? 219 ASN G CB 1 +ATOM 13615 C CG . ASN G 1 220 ? 41.371 126.590 142.203 1.00 30.55 ? ? ? ? ? ? 219 ASN G CG 1 +ATOM 13616 O OD1 . ASN G 1 220 ? 40.832 125.793 142.978 1.00 27.84 ? ? ? ? ? ? 219 ASN G OD1 1 +ATOM 13617 N ND2 . ASN G 1 220 ? 42.509 127.192 142.475 1.00 24.83 ? ? ? ? ? ? 219 ASN G ND2 1 +ATOM 13618 N N . PRO G 1 221 ? 38.840 124.057 141.426 1.00 23.54 ? ? ? ? ? ? 220 PRO G N 1 +ATOM 13619 C CA . PRO G 1 221 ? 37.643 123.498 142.051 1.00 25.04 ? ? ? ? ? ? 220 PRO G CA 1 +ATOM 13620 C C . PRO G 1 221 ? 37.489 123.767 143.553 1.00 26.14 ? ? ? ? ? ? 220 PRO G C 1 +ATOM 13621 O O . PRO G 1 221 ? 36.449 123.387 144.136 1.00 24.85 ? ? ? ? ? ? 220 PRO G O 1 +ATOM 13622 C CB . PRO G 1 221 ? 37.823 121.996 141.798 1.00 25.43 ? ? ? ? ? ? 220 PRO G CB 1 +ATOM 13623 C CG . PRO G 1 221 ? 39.280 121.785 141.818 1.00 23.42 ? ? ? ? ? ? 220 PRO G CG 1 +ATOM 13624 C CD . PRO G 1 221 ? 39.931 123.061 141.373 1.00 22.85 ? ? ? ? ? ? 220 PRO G CD 1 +ATOM 13625 N N . LYS G 1 222 ? 38.462 124.454 144.167 1.00 27.50 ? ? ? ? ? ? 221 LYS G N 1 +ATOM 13626 C CA . LYS G 1 222 ? 38.601 124.393 145.636 1.00 29.77 ? ? ? ? ? ? 221 LYS G CA 1 +ATOM 13627 C C . LYS G 1 222 ? 37.529 125.102 146.487 1.00 27.30 ? ? ? ? ? ? 221 LYS G C 1 +ATOM 13628 O O . LYS G 1 222 ? 37.380 124.773 147.673 1.00 27.60 ? ? ? ? ? ? 221 LYS G O 1 +ATOM 13629 C CB . LYS G 1 222 ? 40.026 124.764 146.049 1.00 32.66 ? ? ? ? ? ? 221 LYS G CB 1 +ATOM 13630 C CG . LYS G 1 222 ? 41.024 123.663 145.602 1.00 35.54 ? ? ? ? ? ? 221 LYS G CG 1 +ATOM 13631 C CD . LYS G 1 222 ? 42.506 124.045 145.779 1.00 37.91 ? ? ? ? ? ? 221 LYS G CD 1 +ATOM 13632 C CE . LYS G 1 222 ? 43.428 123.089 145.012 1.00 40.12 ? ? ? ? ? ? 221 LYS G CE 1 +ATOM 13633 N NZ . LYS G 1 222 ? 44.857 123.121 145.478 1.00 36.77 ? ? ? ? ? ? 221 LYS G NZ 1 +ATOM 13634 N N . LYS G 1 223 ? 36.741 125.997 145.879 1.00 27.14 ? ? ? ? ? ? 222 LYS G N 1 +ATOM 13635 C CA . LYS G 1 223 ? 35.627 126.649 146.563 1.00 26.64 ? ? ? ? ? ? 222 LYS G CA 1 +ATOM 13636 C C . LYS G 1 223 ? 34.317 125.917 146.347 1.00 25.52 ? ? ? ? ? ? 222 LYS G C 1 +ATOM 13637 O O . LYS G 1 223 ? 33.267 126.440 146.683 1.00 25.30 ? ? ? ? ? ? 222 LYS G O 1 +ATOM 13638 C CB . LYS G 1 223 ? 35.500 128.098 146.134 1.00 30.23 ? ? ? ? ? ? 222 LYS G CB 1 +ATOM 13639 C CG . LYS G 1 223 ? 36.807 128.889 146.298 1.00 34.22 ? ? ? ? ? ? 222 LYS G CG 1 +ATOM 13640 C CD . LYS G 1 223 ? 36.531 130.363 146.488 1.00 44.94 ? ? ? ? ? ? 222 LYS G CD 1 +ATOM 13641 C CE . LYS G 1 223 ? 37.757 131.267 146.232 1.00 47.97 ? ? ? ? ? ? 222 LYS G CE 1 +ATOM 13642 N NZ . LYS G 1 223 ? 37.318 132.523 145.511 1.00 50.65 ? ? ? ? ? ? 222 LYS G NZ 1 +ATOM 13643 N N . ALA G 1 224 ? 34.388 124.697 145.810 1.00 24.65 ? ? ? ? ? ? 223 ALA G N 1 +ATOM 13644 C CA . ALA G 1 224 ? 33.220 123.853 145.619 1.00 22.99 ? ? ? ? ? ? 223 ALA G CA 1 +ATOM 13645 C C . ALA G 1 224 ? 32.650 123.424 146.951 1.00 22.92 ? ? ? ? ? ? 223 ALA G C 1 +ATOM 13646 O O . ALA G 1 224 ? 33.391 123.069 147.859 1.00 22.79 ? ? ? ? ? ? 223 ALA G O 1 +ATOM 13647 C CB . ALA G 1 224 ? 33.587 122.610 144.779 1.00 22.47 ? ? ? ? ? ? 223 ALA G CB 1 +ATOM 13648 N N . THR G 1 225 ? 31.322 123.443 147.048 1.00 22.50 ? ? ? ? ? ? 224 THR G N 1 +ATOM 13649 C CA . THR G 1 225 ? 30.588 122.827 148.151 1.00 22.38 ? ? ? ? ? ? 224 THR G CA 1 +ATOM 13650 C C . THR G 1 225 ? 29.358 122.028 147.663 1.00 21.84 ? ? ? ? ? ? 224 THR G C 1 +ATOM 13651 O O . THR G 1 225 ? 28.811 122.266 146.609 1.00 21.75 ? ? ? ? ? ? 224 THR G O 1 +ATOM 13652 C CB . THR G 1 225 ? 30.079 123.912 149.141 1.00 24.36 ? ? ? ? ? ? 224 THR G CB 1 +ATOM 13653 O OG1 . THR G 1 225 ? 28.976 124.618 148.544 1.00 23.93 ? ? ? ? ? ? 224 THR G OG1 1 +ATOM 13654 C CG2 . THR G 1 225 ? 31.197 124.895 149.507 1.00 23.50 ? ? ? ? ? ? 224 THR G CG2 1 +ATOM 13655 N N . ALA G 1 226 ? 28.886 121.107 148.482 1.00 22.05 ? ? ? ? ? ? 225 ALA G N 1 +ATOM 13656 C CA . ALA G 1 226 ? 27.651 120.397 148.215 1.00 21.46 ? ? ? ? ? ? 225 ALA G CA 1 +ATOM 13657 C C . ALA G 1 226 ? 26.488 121.371 148.107 1.00 24.15 ? ? ? ? ? ? 225 ALA G C 1 +ATOM 13658 O O . ALA G 1 226 ? 25.596 121.217 147.265 1.00 24.02 ? ? ? ? ? ? 225 ALA G O 1 +ATOM 13659 C CB . ALA G 1 226 ? 27.381 119.388 149.333 1.00 21.14 ? ? ? ? ? ? 225 ALA G CB 1 +ATOM 13660 N N . GLU G 1 227 ? 26.491 122.378 148.977 1.00 26.24 ? ? ? ? ? ? 226 GLU G N 1 +ATOM 13661 C CA . GLU G 1 227 ? 25.409 123.341 149.034 1.00 28.91 ? ? ? ? ? ? 226 GLU G CA 1 +ATOM 13662 C C . GLU G 1 227 ? 25.268 124.135 147.722 1.00 24.06 ? ? ? ? ? ? 226 GLU G C 1 +ATOM 13663 O O . GLU G 1 227 ? 24.159 124.321 147.220 1.00 23.67 ? ? ? ? ? ? 226 GLU G O 1 +ATOM 13664 C CB . GLU G 1 227 ? 25.605 124.270 150.255 1.00 27.24 ? ? ? ? ? ? 226 GLU G CB 1 +ATOM 13665 C CG . GLU G 1 227 ? 24.350 125.069 150.585 1.00 42.20 ? ? ? ? ? ? 226 GLU G CG 1 +ATOM 13666 C CD . GLU G 1 227 ? 24.567 126.159 151.640 1.00 40.09 ? ? ? ? ? ? 226 GLU G CD 1 +ATOM 13667 O OE1 . GLU G 1 227 ? 25.258 125.887 152.668 1.00 53.34 ? ? ? ? ? ? 226 GLU G OE1 1 +ATOM 13668 O OE2 . GLU G 1 227 ? 24.020 127.279 151.435 1.00 61.97 ? ? ? ? ? ? 226 GLU G OE2 1 +ATOM 13669 N N . LYS G 1 228 ? 26.386 124.611 147.189 1.00 23.12 ? ? ? ? ? ? 227 LYS G N 1 +ATOM 13670 C CA . LYS G 1 228 ? 26.424 125.248 145.869 1.00 23.80 ? ? ? ? ? ? 227 LYS G CA 1 +ATOM 13671 C C . LYS G 1 228 ? 25.876 124.359 144.755 1.00 23.48 ? ? ? ? ? ? 227 LYS G C 1 +ATOM 13672 O O . LYS G 1 228 ? 25.148 124.824 143.864 1.00 24.15 ? ? ? ? ? ? 227 LYS G O 1 +ATOM 13673 C CB . LYS G 1 228 ? 27.864 125.657 145.508 1.00 24.85 ? ? ? ? ? ? 227 LYS G CB 1 +ATOM 13674 C CG . LYS G 1 228 ? 28.410 126.862 146.271 1.00 22.58 ? ? ? ? ? ? 227 LYS G CG 1 +ATOM 13675 C CD . LYS G 1 228 ? 29.707 127.275 145.719 1.00 28.42 ? ? ? ? ? ? 227 LYS G CD 1 +ATOM 13676 C CE . LYS G 1 228 ? 30.363 128.396 146.512 1.00 29.60 ? ? ? ? ? ? 227 LYS G CE 1 +ATOM 13677 N NZ . LYS G 1 228 ? 31.773 128.605 146.078 1.00 26.11 ? ? ? ? ? ? 227 LYS G NZ 1 +ATOM 13678 N N . GLY G 1 229 ? 26.210 123.072 144.792 1.00 23.67 ? ? ? ? ? ? 228 GLY G N 1 +ATOM 13679 C CA . GLY G 1 229 ? 25.713 122.118 143.795 1.00 22.89 ? ? ? ? ? ? 228 GLY G CA 1 +ATOM 13680 C C . GLY G 1 229 ? 24.223 121.894 143.857 1.00 23.83 ? ? ? ? ? ? 228 GLY G C 1 +ATOM 13681 O O . GLY G 1 229 ? 23.546 121.813 142.804 1.00 23.82 ? ? ? ? ? ? 228 GLY G O 1 +ATOM 13682 N N . GLU G 1 230 ? 23.704 121.769 145.081 1.00 24.65 ? ? ? ? ? ? 229 GLU G N 1 +ATOM 13683 C CA . GLU G 1 230 ? 22.254 121.599 145.311 1.00 26.93 ? ? ? ? ? ? 229 GLU G CA 1 +ATOM 13684 C C . GLU G 1 230 ? 21.455 122.789 144.772 1.00 25.45 ? ? ? ? ? ? 229 GLU G C 1 +ATOM 13685 O O . GLU G 1 230 ? 20.420 122.633 144.133 1.00 24.80 ? ? ? ? ? ? 229 GLU G O 1 +ATOM 13686 C CB . GLU G 1 230 ? 21.979 121.402 146.824 1.00 28.20 ? ? ? ? ? ? 229 GLU G CB 1 +ATOM 13687 C CG . GLU G 1 230 ? 20.492 121.292 147.250 1.00 29.48 ? ? ? ? ? ? 229 GLU G CG 1 +ATOM 13688 C CD . GLU G 1 230 ? 20.326 121.169 148.786 1.00 36.54 ? ? ? ? ? ? 229 GLU G CD 1 +ATOM 13689 O OE1 . GLU G 1 230 ? 20.925 121.999 149.529 1.00 45.28 ? ? ? ? ? ? 229 GLU G OE1 1 +ATOM 13690 O OE2 . GLU G 1 230 ? 19.584 120.267 149.239 1.00 47.04 ? ? ? ? ? ? 229 GLU G OE2 1 +ATOM 13691 N N . ARG G 1 231 ? 21.972 123.977 145.014 1.00 25.09 ? ? ? ? ? ? 230 ARG G N 1 +ATOM 13692 C CA . ARG G 1 231 ? 21.294 125.198 144.603 1.00 25.12 ? ? ? ? ? ? 230 ARG G CA 1 +ATOM 13693 C C . ARG G 1 231 ? 21.252 125.306 143.083 1.00 24.79 ? ? ? ? ? ? 230 ARG G C 1 +ATOM 13694 O O . ARG G 1 231 ? 20.220 125.652 142.516 1.00 25.00 ? ? ? ? ? ? 230 ARG G O 1 +ATOM 13695 C CB . ARG G 1 231 ? 22.026 126.415 145.214 1.00 23.38 ? ? ? ? ? ? 230 ARG G CB 1 +ATOM 13696 C CG . ARG G 1 231 ? 21.303 127.701 145.023 1.00 26.35 ? ? ? ? ? ? 230 ARG G CG 1 +ATOM 13697 C CD . ARG G 1 231 ? 21.791 128.765 145.984 1.00 32.92 ? ? ? ? ? ? 230 ARG G CD 1 +ATOM 13698 N NE . ARG G 1 231 ? 22.749 129.676 145.365 1.00 39.39 ? ? ? ? ? ? 230 ARG G NE 1 +ATOM 13699 C CZ . ARG G 1 231 ? 22.433 130.752 144.630 1.00 47.63 ? ? ? ? ? ? 230 ARG G CZ 1 +ATOM 13700 N NH1 . ARG G 1 231 ? 21.157 131.075 144.364 1.00 48.94 ? ? ? ? ? ? 230 ARG G NH1 1 +ATOM 13701 N NH2 . ARG G 1 231 ? 23.410 131.517 144.152 1.00 48.79 ? ? ? ? ? ? 230 ARG G NH2 1 +ATOM 13702 N N . TYR G 1 232 ? 22.385 125.012 142.442 1.00 22.94 ? ? ? ? ? ? 231 TYR G N 1 +ATOM 13703 C CA . TYR G 1 232 ? 22.495 125.084 140.987 1.00 22.82 ? ? ? ? ? ? 231 TYR G CA 1 +ATOM 13704 C C . TYR G 1 232 ? 21.579 124.088 140.255 1.00 22.42 ? ? ? ? ? ? 231 TYR G C 1 +ATOM 13705 O O . TYR G 1 232 ? 20.844 124.462 139.353 1.00 24.85 ? ? ? ? ? ? 231 TYR G O 1 +ATOM 13706 C CB . TYR G 1 232 ? 23.944 124.847 140.585 1.00 22.45 ? ? ? ? ? ? 231 TYR G CB 1 +ATOM 13707 C CG . TYR G 1 232 ? 24.275 125.080 139.119 1.00 24.16 ? ? ? ? ? ? 231 TYR G CG 1 +ATOM 13708 C CD1 . TYR G 1 232 ? 23.979 126.288 138.490 1.00 23.66 ? ? ? ? ? ? 231 TYR G CD1 1 +ATOM 13709 C CD2 . TYR G 1 232 ? 24.945 124.102 138.377 1.00 21.81 ? ? ? ? ? ? 231 TYR G CD2 1 +ATOM 13710 C CE1 . TYR G 1 232 ? 24.322 126.492 137.193 1.00 23.38 ? ? ? ? ? ? 231 TYR G CE1 1 +ATOM 13711 C CE2 . TYR G 1 232 ? 25.299 124.313 137.066 1.00 22.02 ? ? ? ? ? ? 231 TYR G CE2 1 +ATOM 13712 C CZ . TYR G 1 232 ? 24.983 125.490 136.477 1.00 20.94 ? ? ? ? ? ? 231 TYR G CZ 1 +ATOM 13713 O OH . TYR G 1 232 ? 25.336 125.681 135.179 1.00 21.83 ? ? ? ? ? ? 231 TYR G OH 1 +ATOM 13714 N N . VAL G 1 233 ? 21.588 122.823 140.662 1.00 22.68 ? ? ? ? ? ? 232 VAL G N 1 +ATOM 13715 C CA . VAL G 1 233 ? 20.746 121.829 139.995 1.00 22.12 ? ? ? ? ? ? 232 VAL G CA 1 +ATOM 13716 C C . VAL G 1 233 ? 19.242 122.025 140.186 1.00 23.38 ? ? ? ? ? ? 232 VAL G C 1 +ATOM 13717 O O . VAL G 1 233 ? 18.464 121.616 139.331 1.00 23.48 ? ? ? ? ? ? 232 VAL G O 1 +ATOM 13718 C CB . VAL G 1 233 ? 21.136 120.370 140.345 1.00 23.55 ? ? ? ? ? ? 232 VAL G CB 1 +ATOM 13719 C CG1 . VAL G 1 233 ? 22.644 120.180 140.158 1.00 23.04 ? ? ? ? ? ? 232 VAL G CG1 1 +ATOM 13720 C CG2 . VAL G 1 233 ? 20.675 119.975 141.729 1.00 19.53 ? ? ? ? ? ? 232 VAL G CG2 1 +ATOM 13721 N N . LYS G 1 234 ? 18.806 122.683 141.253 1.00 23.46 ? ? ? ? ? ? 233 LYS G N 1 +ATOM 13722 C CA . LYS G 1 234 ? 17.361 122.899 141.429 1.00 25.46 ? ? ? ? ? ? 233 LYS G CA 1 +ATOM 13723 C C . LYS G 1 234 ? 16.663 123.506 140.165 1.00 22.81 ? ? ? ? ? ? 233 LYS G C 1 +ATOM 13724 O O . LYS G 1 234 ? 15.695 122.912 139.630 1.00 23.61 ? ? ? ? ? ? 233 LYS G O 1 +ATOM 13725 C CB . LYS G 1 234 ? 17.103 123.749 142.685 1.00 27.50 ? ? ? ? ? ? 233 LYS G CB 1 +ATOM 13726 C CG . LYS G 1 234 ? 15.628 123.946 143.008 1.00 31.46 ? ? ? ? ? ? 233 LYS G CG 1 +ATOM 13727 C CD . LYS G 1 234 ? 15.456 124.746 144.309 1.00 34.10 ? ? ? ? ? ? 233 LYS G CD 1 +ATOM 13728 C CE . LYS G 1 234 ? 14.099 124.441 144.983 1.00 51.64 ? ? ? ? ? ? 233 LYS G CE 1 +ATOM 13729 N NZ . LYS G 1 234 ? 12.900 124.690 144.110 1.00 46.41 ? ? ? ? ? ? 233 LYS G NZ 1 +ATOM 13730 N N . PRO G 1 235 ? 17.133 124.684 139.684 1.00 21.79 ? ? ? ? ? ? 234 PRO G N 1 +ATOM 13731 C CA . PRO G 1 235 ? 16.579 125.263 138.439 1.00 22.29 ? ? ? ? ? ? 234 PRO G CA 1 +ATOM 13732 C C . PRO G 1 235 ? 16.848 124.460 137.112 1.00 21.18 ? ? ? ? ? ? 234 PRO G C 1 +ATOM 13733 O O . PRO G 1 235 ? 16.019 124.492 136.187 1.00 21.01 ? ? ? ? ? ? 234 PRO G O 1 +ATOM 13734 C CB . PRO G 1 235 ? 17.234 126.661 138.398 1.00 21.23 ? ? ? ? ? ? 234 PRO G CB 1 +ATOM 13735 C CG . PRO G 1 235 ? 18.469 126.518 139.118 1.00 17.83 ? ? ? ? ? ? 234 PRO G CG 1 +ATOM 13736 C CD . PRO G 1 235 ? 18.150 125.584 140.252 1.00 22.74 ? ? ? ? ? ? 234 PRO G CD 1 +ATOM 13737 N N . ILE G 1 236 ? 17.982 123.759 137.046 1.00 21.64 ? ? ? ? ? ? 235 ILE G N 1 +ATOM 13738 C CA . ILE G 1 236 ? 18.303 122.834 135.936 1.00 20.63 ? ? ? ? ? ? 235 ILE G CA 1 +ATOM 13739 C C . ILE G 1 236 ? 17.244 121.737 135.841 1.00 20.67 ? ? ? ? ? ? 235 ILE G C 1 +ATOM 13740 O O . ILE G 1 236 ? 16.618 121.551 134.811 1.00 22.52 ? ? ? ? ? ? 235 ILE G O 1 +ATOM 13741 C CB . ILE G 1 236 ? 19.722 122.219 136.083 1.00 22.60 ? ? ? ? ? ? 235 ILE G CB 1 +ATOM 13742 C CG1 . ILE G 1 236 ? 20.790 123.324 136.045 1.00 17.98 ? ? ? ? ? ? 235 ILE G CG1 1 +ATOM 13743 C CG2 . ILE G 1 236 ? 20.006 121.197 134.943 1.00 19.11 ? ? ? ? ? ? 235 ILE G CG2 1 +ATOM 13744 C CD1 . ILE G 1 236 ? 22.199 122.841 136.374 1.00 18.56 ? ? ? ? ? ? 235 ILE G CD1 1 +ATOM 13745 N N . VAL G 1 237 ? 16.985 121.090 136.965 1.00 20.68 ? ? ? ? ? ? 236 VAL G N 1 +ATOM 13746 C CA . VAL G 1 237 ? 15.956 120.048 137.096 1.00 20.05 ? ? ? ? ? ? 236 VAL G CA 1 +ATOM 13747 C C . VAL G 1 237 ? 14.551 120.572 136.719 1.00 21.95 ? ? ? ? ? ? 236 VAL G C 1 +ATOM 13748 O O . VAL G 1 237 ? 13.803 119.958 135.911 1.00 22.05 ? ? ? ? ? ? 236 VAL G O 1 +ATOM 13749 C CB . VAL G 1 237 ? 16.042 119.453 138.550 1.00 21.16 ? ? ? ? ? ? 236 VAL G CB 1 +ATOM 13750 C CG1 . VAL G 1 237 ? 14.831 118.612 138.959 1.00 17.21 ? ? ? ? ? ? 236 VAL G CG1 1 +ATOM 13751 C CG2 . VAL G 1 237 ? 17.330 118.641 138.699 1.00 18.34 ? ? ? ? ? ? 236 VAL G CG2 1 +ATOM 13752 N N . GLU G 1 238 ? 14.199 121.725 137.274 1.00 23.02 ? ? ? ? ? ? 237 GLU G N 1 +ATOM 13753 C CA . GLU G 1 238 ? 12.914 122.344 136.969 1.00 23.36 ? ? ? ? ? ? 237 GLU G CA 1 +ATOM 13754 C C . GLU G 1 238 ? 12.757 122.651 135.462 1.00 21.88 ? ? ? ? ? ? 237 GLU G C 1 +ATOM 13755 O O . GLU G 1 238 ? 11.707 122.322 134.862 1.00 22.24 ? ? ? ? ? ? 237 GLU G O 1 +ATOM 13756 C CB . GLU G 1 238 ? 12.729 123.616 137.805 1.00 24.66 ? ? ? ? ? ? 237 GLU G CB 1 +ATOM 13757 C CG . GLU G 1 238 ? 11.291 124.069 137.878 1.00 33.13 ? ? ? ? ? ? 237 GLU G CG 1 +ATOM 13758 C CD . GLU G 1 238 ? 10.803 124.761 136.608 1.00 39.23 ? ? ? ? ? ? 237 GLU G CD 1 +ATOM 13759 O OE1 . GLU G 1 238 ? 11.628 125.459 135.933 1.00 39.68 ? ? ? ? ? ? 237 GLU G OE1 1 +ATOM 13760 O OE2 . GLU G 1 238 ? 9.581 124.606 136.306 1.00 38.62 ? ? ? ? ? ? 237 GLU G OE2 1 +ATOM 13761 N N . LYS G 1 239 ? 13.776 123.260 134.851 1.00 22.09 ? ? ? ? ? ? 238 LYS G N 1 +ATOM 13762 C CA . LYS G 1 239 ? 13.726 123.563 133.414 1.00 23.16 ? ? ? ? ? ? 238 LYS G CA 1 +ATOM 13763 C C . LYS G 1 239 ? 13.640 122.304 132.537 1.00 22.18 ? ? ? ? ? ? 238 LYS G C 1 +ATOM 13764 O O . LYS G 1 239 ? 12.964 122.289 131.487 1.00 22.60 ? ? ? ? ? ? 238 LYS G O 1 +ATOM 13765 C CB . LYS G 1 239 ? 14.943 124.387 132.963 1.00 22.61 ? ? ? ? ? ? 238 LYS G CB 1 +ATOM 13766 C CG . LYS G 1 239 ? 14.837 125.849 133.180 1.00 27.27 ? ? ? ? ? ? 238 LYS G CG 1 +ATOM 13767 C CD . LYS G 1 239 ? 15.875 126.606 132.371 1.00 37.34 ? ? ? ? ? ? 238 LYS G CD 1 +ATOM 13768 C CE . LYS G 1 239 ? 15.991 128.082 132.771 1.00 44.79 ? ? ? ? ? ? 238 LYS G CE 1 +ATOM 13769 N NZ . LYS G 1 239 ? 14.684 128.757 132.605 1.00 46.48 ? ? ? ? ? ? 238 LYS G NZ 1 +ATOM 13770 N N . LEU G 1 240 ? 14.373 121.275 132.924 1.00 22.23 ? ? ? ? ? ? 239 LEU G N 1 +ATOM 13771 C CA . LEU G 1 240 ? 14.362 120.026 132.183 1.00 21.24 ? ? ? ? ? ? 239 LEU G CA 1 +ATOM 13772 C C . LEU G 1 240 ? 13.043 119.306 132.343 1.00 20.92 ? ? ? ? ? ? 239 LEU G C 1 +ATOM 13773 O O . LEU G 1 240 ? 12.561 118.707 131.398 1.00 20.83 ? ? ? ? ? ? 239 LEU G O 1 +ATOM 13774 C CB . LEU G 1 240 ? 15.526 119.136 132.619 1.00 20.84 ? ? ? ? ? ? 239 LEU G CB 1 +ATOM 13775 C CG . LEU G 1 240 ? 16.884 119.516 132.068 1.00 19.94 ? ? ? ? ? ? 239 LEU G CG 1 +ATOM 13776 C CD1 . LEU G 1 240 ? 17.971 118.638 132.695 1.00 20.00 ? ? ? ? ? ? 239 LEU G CD1 1 +ATOM 13777 C CD2 . LEU G 1 240 ? 16.869 119.407 130.548 1.00 19.33 ? ? ? ? ? ? 239 LEU G CD2 1 +ATOM 13778 N N . ALA G 1 241 ? 12.472 119.337 133.544 1.00 21.38 ? ? ? ? ? ? 240 ALA G N 1 +ATOM 13779 C CA . ALA G 1 241 ? 11.135 118.775 133.786 1.00 20.79 ? ? ? ? ? ? 240 ALA G CA 1 +ATOM 13780 C C . ALA G 1 241 ? 10.080 119.432 132.900 1.00 20.58 ? ? ? ? ? ? 240 ALA G C 1 +ATOM 13781 O O . ALA G 1 241 ? 9.242 118.749 132.329 1.00 23.13 ? ? ? ? ? ? 240 ALA G O 1 +ATOM 13782 C CB . ALA G 1 241 ? 10.747 118.875 135.314 1.00 21.13 ? ? ? ? ? ? 240 ALA G CB 1 +ATOM 13783 N N . GLY G 1 242 ? 10.134 120.754 132.773 1.00 20.88 ? ? ? ? ? ? 241 GLY G N 1 +ATOM 13784 C CA . GLY G 1 242 ? 9.241 121.478 131.879 1.00 21.24 ? ? ? ? ? ? 241 GLY G CA 1 +ATOM 13785 C C . GLY G 1 242 ? 9.403 121.053 130.430 1.00 21.91 ? ? ? ? ? ? 241 GLY G C 1 +ATOM 13786 O O . GLY G 1 242 ? 8.409 120.837 129.742 1.00 22.26 ? ? ? ? ? ? 241 GLY G O 1 +ATOM 13787 N N . LEU G 1 243 ? 10.653 120.911 129.973 1.00 21.23 ? ? ? ? ? ? 242 LEU G N 1 +ATOM 13788 C CA . LEU G 1 243 ? 10.941 120.386 128.647 1.00 20.82 ? ? ? ? ? ? 242 LEU G CA 1 +ATOM 13789 C C . LEU G 1 243 ? 10.375 119.003 128.437 1.00 21.80 ? ? ? ? ? ? 242 LEU G C 1 +ATOM 13790 O O . LEU G 1 243 ? 9.774 118.759 127.404 1.00 21.58 ? ? ? ? ? ? 242 LEU G O 1 +ATOM 13791 C CB . LEU G 1 243 ? 12.458 120.394 128.361 1.00 22.55 ? ? ? ? ? ? 242 LEU G CB 1 +ATOM 13792 C CG . LEU G 1 243 ? 12.919 119.658 127.084 1.00 21.70 ? ? ? ? ? ? 242 LEU G CG 1 +ATOM 13793 C CD1 . LEU G 1 243 ? 12.531 120.447 125.837 1.00 19.86 ? ? ? ? ? ? 242 LEU G CD1 1 +ATOM 13794 C CD2 . LEU G 1 243 ? 14.416 119.404 127.146 1.00 18.25 ? ? ? ? ? ? 242 LEU G CD2 1 +ATOM 13795 N N . PHE G 1 244 ? 10.539 118.096 129.408 1.00 22.68 ? ? ? ? ? ? 243 PHE G N 1 +ATOM 13796 C CA . PHE G 1 244 ? 9.962 116.745 129.275 1.00 23.18 ? ? ? ? ? ? 243 PHE G CA 1 +ATOM 13797 C C . PHE G 1 244 ? 8.442 116.790 129.126 1.00 24.12 ? ? ? ? ? ? 243 PHE G C 1 +ATOM 13798 O O . PHE G 1 244 ? 7.879 116.065 128.305 1.00 24.85 ? ? ? ? ? ? 243 PHE G O 1 +ATOM 13799 C CB . PHE G 1 244 ? 10.270 115.832 130.473 1.00 24.31 ? ? ? ? ? ? 243 PHE G CB 1 +ATOM 13800 C CG . PHE G 1 244 ? 11.752 115.612 130.778 1.00 21.51 ? ? ? ? ? ? 243 PHE G CG 1 +ATOM 13801 C CD1 . PHE G 1 244 ? 12.762 116.013 129.908 1.00 27.91 ? ? ? ? ? ? 243 PHE G CD1 1 +ATOM 13802 C CD2 . PHE G 1 244 ? 12.110 114.969 131.963 1.00 23.20 ? ? ? ? ? ? 243 PHE G CD2 1 +ATOM 13803 C CE1 . PHE G 1 244 ? 14.110 115.803 130.233 1.00 25.03 ? ? ? ? ? ? 243 PHE G CE1 1 +ATOM 13804 C CE2 . PHE G 1 244 ? 13.443 114.741 132.284 1.00 23.14 ? ? ? ? ? ? 243 PHE G CE2 1 +ATOM 13805 C CZ . PHE G 1 244 ? 14.449 115.170 131.415 1.00 23.15 ? ? ? ? ? ? 243 PHE G CZ 1 +ATOM 13806 N N . GLU G 1 245 ? 7.787 117.613 129.955 1.00 24.11 ? ? ? ? ? ? 244 GLU G N 1 +ATOM 13807 C CA . GLU G 1 245 ? 6.345 117.836 129.873 1.00 24.51 ? ? ? ? ? ? 244 GLU G CA 1 +ATOM 13808 C C . GLU G 1 245 ? 5.913 118.368 128.517 1.00 24.23 ? ? ? ? ? ? 244 GLU G C 1 +ATOM 13809 O O . GLU G 1 245 ? 5.021 117.808 127.899 1.00 25.43 ? ? ? ? ? ? 244 GLU G O 1 +ATOM 13810 C CB . GLU G 1 245 ? 5.899 118.810 130.965 1.00 25.50 ? ? ? ? ? ? 244 GLU G CB 1 +ATOM 13811 C CG . GLU G 1 245 ? 5.920 118.170 132.315 1.00 29.87 ? ? ? ? ? ? 244 GLU G CG 1 +ATOM 13812 C CD . GLU G 1 245 ? 5.921 119.142 133.487 1.00 32.35 ? ? ? ? ? ? 244 GLU G CD 1 +ATOM 13813 O OE1 . GLU G 1 245 ? 6.051 120.356 133.285 1.00 34.11 ? ? ? ? ? ? 244 GLU G OE1 1 +ATOM 13814 O OE2 . GLU G 1 245 ? 5.799 118.667 134.636 1.00 36.68 ? ? ? ? ? ? 244 GLU G OE2 1 +ATOM 13815 N N . GLU G 1 246 ? 6.564 119.435 128.047 1.00 24.93 ? ? ? ? ? ? 245 GLU G N 1 +ATOM 13816 C CA . GLU G 1 246 ? 6.217 120.045 126.746 1.00 25.41 ? ? ? ? ? ? 245 GLU G CA 1 +ATOM 13817 C C . GLU G 1 246 ? 6.441 119.031 125.611 1.00 26.13 ? ? ? ? ? ? 245 GLU G C 1 +ATOM 13818 O O . GLU G 1 246 ? 5.624 118.905 124.706 1.00 27.13 ? ? ? ? ? ? 245 GLU G O 1 +ATOM 13819 C CB . GLU G 1 246 ? 7.025 121.329 126.530 1.00 25.45 ? ? ? ? ? ? 245 GLU G CB 1 +ATOM 13820 C CG . GLU G 1 246 ? 6.596 122.472 127.467 1.00 27.77 ? ? ? ? ? ? 245 GLU G CG 1 +ATOM 13821 C CD . GLU G 1 246 ? 7.651 123.585 127.653 1.00 29.13 ? ? ? ? ? ? 245 GLU G CD 1 +ATOM 13822 O OE1 . GLU G 1 246 ? 8.711 123.568 126.984 1.00 30.03 ? ? ? ? ? ? 245 GLU G OE1 1 +ATOM 13823 O OE2 . GLU G 1 246 ? 7.404 124.496 128.480 1.00 32.32 ? ? ? ? ? ? 245 GLU G OE2 1 +ATOM 13824 N N . MSE G 1 247 ? 7.538 118.278 125.684 1.00 26.15 ? ? ? ? ? ? 246 MSE G N 1 +ATOM 13825 C CA . MSE G 1 247 ? 7.836 117.245 124.687 1.00 26.34 ? ? ? ? ? ? 246 MSE G CA 1 +ATOM 13826 C C . MSE G 1 247 ? 6.773 116.151 124.641 1.00 28.37 ? ? ? ? ? ? 246 MSE G C 1 +ATOM 13827 O O . MSE G 1 247 ? 6.391 115.691 123.570 1.00 29.03 ? ? ? ? ? ? 246 MSE G O 1 +ATOM 13828 C CB . MSE G 1 247 ? 9.218 116.623 124.949 1.00 27.72 ? ? ? ? ? ? 246 MSE G CB 1 +ATOM 13829 C CG . MSE G 1 247 ? 10.376 117.452 124.427 1.00 26.87 ? ? ? ? ? ? 246 MSE G CG 1 +ATOM 13830 SE SE . MSE G 1 247 ? 12.127 116.640 124.822 0.75 24.45 ? ? ? ? ? ? 246 MSE G SE 1 +ATOM 13831 C CE . MSE G 1 247 ? 12.178 115.249 123.293 1.00 21.51 ? ? ? ? ? ? 246 MSE G CE 1 +ATOM 13832 N N . ALA G 1 248 ? 6.288 115.745 125.804 1.00 29.80 ? ? ? ? ? ? 247 ALA G N 1 +ATOM 13833 C CA . ALA G 1 248 ? 5.222 114.752 125.887 1.00 30.67 ? ? ? ? ? ? 247 ALA G CA 1 +ATOM 13834 C C . ALA G 1 248 ? 3.855 115.284 125.428 1.00 30.80 ? ? ? ? ? ? 247 ALA G C 1 +ATOM 13835 O O . ALA G 1 248 ? 3.034 114.513 124.927 1.00 31.57 ? ? ? ? ? ? 247 ALA G O 1 +ATOM 13836 C CB . ALA G 1 248 ? 5.133 114.177 127.336 1.00 29.71 ? ? ? ? ? ? 247 ALA G CB 1 +ATOM 13837 N N . GLN G 1 249 ? 3.608 116.580 125.601 1.00 30.71 ? ? ? ? ? ? 248 GLN G N 1 +ATOM 13838 C CA . GLN G 1 249 ? 2.251 117.143 125.449 1.00 33.61 ? ? ? ? ? ? 248 GLN G CA 1 +ATOM 13839 C C . GLN G 1 249 ? 2.026 117.886 124.127 1.00 33.68 ? ? ? ? ? ? 248 GLN G C 1 +ATOM 13840 O O . GLN G 1 249 ? 0.898 118.229 123.792 1.00 34.50 ? ? ? ? ? ? 248 GLN G O 1 +ATOM 13841 C CB . GLN G 1 249 ? 1.907 118.037 126.662 1.00 34.69 ? ? ? ? ? ? 248 GLN G CB 1 +ATOM 13842 C CG . GLN G 1 249 ? 1.462 117.224 127.908 1.00 37.44 ? ? ? ? ? ? 248 GLN G CG 1 +ATOM 13843 C CD . GLN G 1 249 ? 1.549 118.006 129.229 1.00 37.31 ? ? ? ? ? ? 248 GLN G CD 1 +ATOM 13844 O OE1 . GLN G 1 249 ? 2.009 119.145 129.270 1.00 43.86 ? ? ? ? ? ? 248 GLN G OE1 1 +ATOM 13845 N NE2 . GLN G 1 249 ? 1.131 117.364 130.319 1.00 41.12 ? ? ? ? ? ? 248 GLN G NE2 1 +ATOM 13846 N N . HIS G 1 250 ? 3.093 118.127 123.381 1.00 33.21 ? ? ? ? ? ? 249 HIS G N 1 +ATOM 13847 C CA . HIS G 1 250 ? 2.977 118.808 122.109 1.00 33.09 ? ? ? ? ? ? 249 HIS G CA 1 +ATOM 13848 C C . HIS G 1 250 ? 3.683 118.087 120.981 1.00 32.65 ? ? ? ? ? ? 249 HIS G C 1 +ATOM 13849 O O . HIS G 1 250 ? 4.633 117.327 121.192 1.00 33.30 ? ? ? ? ? ? 249 HIS G O 1 +ATOM 13850 C CB . HIS G 1 250 ? 3.595 120.189 122.203 1.00 34.93 ? ? ? ? ? ? 249 HIS G CB 1 +ATOM 13851 C CG . HIS G 1 250 ? 2.866 121.114 123.118 1.00 35.34 ? ? ? ? ? ? 249 HIS G CG 1 +ATOM 13852 N ND1 . HIS G 1 250 ? 1.892 121.978 122.669 1.00 38.08 ? ? ? ? ? ? 249 HIS G ND1 1 +ATOM 13853 C CD2 . HIS G 1 250 ? 2.985 121.329 124.452 1.00 39.31 ? ? ? ? ? ? 249 HIS G CD2 1 +ATOM 13854 C CE1 . HIS G 1 250 ? 1.440 122.687 123.690 1.00 44.63 ? ? ? ? ? ? 249 HIS G CE1 1 +ATOM 13855 N NE2 . HIS G 1 250 ? 2.094 122.320 124.781 1.00 41.61 ? ? ? ? ? ? 249 HIS G NE2 1 +ATOM 13856 N N . ASP G 1 251 ? 3.206 118.342 119.763 1.00 32.47 ? ? ? ? ? ? 250 ASP G N 1 +ATOM 13857 C CA . ASP G 1 251 ? 3.977 118.016 118.576 1.00 31.61 ? ? ? ? ? ? 250 ASP G CA 1 +ATOM 13858 C C . ASP G 1 251 ? 4.995 119.133 118.420 1.00 28.60 ? ? ? ? ? ? 250 ASP G C 1 +ATOM 13859 O O . ASP G 1 251 ? 4.780 120.242 118.936 1.00 27.91 ? ? ? ? ? ? 250 ASP G O 1 +ATOM 13860 C CB . ASP G 1 251 ? 3.071 117.890 117.332 1.00 34.00 ? ? ? ? ? ? 250 ASP G CB 1 +ATOM 13861 C CG . ASP G 1 251 ? 2.080 116.715 117.434 1.00 40.57 ? ? ? ? ? ? 250 ASP G CG 1 +ATOM 13862 O OD1 . ASP G 1 251 ? 2.457 115.618 117.934 1.00 44.76 ? ? ? ? ? ? 250 ASP G OD1 1 +ATOM 13863 O OD2 . ASP G 1 251 ? 0.912 116.895 117.009 1.00 51.64 ? ? ? ? ? ? 250 ASP G OD2 1 +ATOM 13864 N N . LEU G 1 252 ? 6.101 118.845 117.728 1.00 26.35 ? ? ? ? ? ? 251 LEU G N 1 +ATOM 13865 C CA . LEU G 1 252 ? 7.171 119.842 117.520 1.00 26.28 ? ? ? ? ? ? 251 LEU G CA 1 +ATOM 13866 C C . LEU G 1 252 ? 6.630 121.176 116.946 1.00 26.08 ? ? ? ? ? ? 251 LEU G C 1 +ATOM 13867 O O . LEU G 1 252 ? 7.012 122.247 117.402 1.00 24.62 ? ? ? ? ? ? 251 LEU G O 1 +ATOM 13868 C CB . LEU G 1 252 ? 8.272 119.251 116.600 1.00 26.98 ? ? ? ? ? ? 251 LEU G CB 1 +ATOM 13869 C CG . LEU G 1 252 ? 9.526 120.074 116.332 1.00 26.93 ? ? ? ? ? ? 251 LEU G CG 1 +ATOM 13870 C CD1 . LEU G 1 252 ? 10.315 120.351 117.614 1.00 23.10 ? ? ? ? ? ? 251 LEU G CD1 1 +ATOM 13871 C CD2 . LEU G 1 252 ? 10.370 119.353 115.298 1.00 23.51 ? ? ? ? ? ? 251 LEU G CD2 1 +ATOM 13872 N N . TYR G 1 253 ? 5.766 121.083 115.930 1.00 27.06 ? ? ? ? ? ? 252 TYR G N 1 +ATOM 13873 C CA . TYR G 1 253 ? 5.083 122.242 115.347 1.00 28.65 ? ? ? ? ? ? 252 TYR G CA 1 +ATOM 13874 C C . TYR G 1 253 ? 3.602 121.943 115.395 1.00 31.84 ? ? ? ? ? ? 252 TYR G C 1 +ATOM 13875 O O . TYR G 1 253 ? 3.182 120.789 115.241 1.00 32.11 ? ? ? ? ? ? 252 TYR G O 1 +ATOM 13876 C CB . TYR G 1 253 ? 5.485 122.467 113.892 1.00 27.06 ? ? ? ? ? ? 252 TYR G CB 1 +ATOM 13877 C CG . TYR G 1 253 ? 6.899 122.929 113.696 1.00 25.95 ? ? ? ? ? ? 252 TYR G CG 1 +ATOM 13878 C CD1 . TYR G 1 253 ? 7.213 124.298 113.644 1.00 24.59 ? ? ? ? ? ? 252 TYR G CD1 1 +ATOM 13879 C CD2 . TYR G 1 253 ? 7.928 122.015 113.548 1.00 24.33 ? ? ? ? ? ? 252 TYR G CD2 1 +ATOM 13880 C CE1 . TYR G 1 253 ? 8.513 124.720 113.458 1.00 26.82 ? ? ? ? ? ? 252 TYR G CE1 1 +ATOM 13881 C CE2 . TYR G 1 253 ? 9.231 122.444 113.379 1.00 23.40 ? ? ? ? ? ? 252 TYR G CE2 1 +ATOM 13882 C CZ . TYR G 1 253 ? 9.516 123.780 113.328 1.00 22.74 ? ? ? ? ? ? 252 TYR G CZ 1 +ATOM 13883 O OH . TYR G 1 253 ? 10.806 124.188 113.132 1.00 27.33 ? ? ? ? ? ? 252 TYR G OH 1 +ATOM 13884 N N . GLU G 1 254 ? 2.788 122.956 115.628 1.00 36.85 ? ? ? ? ? ? 253 GLU G N 1 +ATOM 13885 C CA . GLU G 1 254 ? 1.343 122.721 115.635 1.00 42.62 ? ? ? ? ? ? 253 GLU G CA 1 +ATOM 13886 C C . GLU G 1 254 ? 0.688 123.879 114.885 1.00 44.52 ? ? ? ? ? ? 253 GLU G C 1 +ATOM 13887 O O . GLU G 1 254 ? 1.302 124.955 114.698 1.00 46.12 ? ? ? ? ? ? 253 GLU G O 1 +ATOM 13888 C CB . GLU G 1 254 ? 0.826 122.588 117.077 1.00 43.49 ? ? ? ? ? ? 253 GLU G CB 1 +ATOM 13889 C CG . GLU G 1 254 ? 1.338 121.363 117.849 1.00 45.37 ? ? ? ? ? ? 253 GLU G CG 1 +ATOM 13890 C CD . GLU G 1 254 ? 0.879 121.336 119.314 1.00 44.26 ? ? ? ? ? ? 253 GLU G CD 1 +ATOM 13891 O OE1 . GLU G 1 254 ? 0.877 122.405 119.963 1.00 50.66 ? ? ? ? ? ? 253 GLU G OE1 1 +ATOM 13892 O OE2 . GLU G 1 254 ? 0.523 120.245 119.812 1.00 48.06 ? ? ? ? ? ? 253 GLU G OE2 1 +ATOM 13893 O OXT . GLU G 1 254 ? -0.439 123.735 114.409 1.00 46.72 ? ? ? ? ? ? 253 GLU G OXT 1 +ATOM 13894 N N . MSE H 1 2 ? 33.543 99.798 148.150 1.00 39.14 ? ? ? ? ? ? 1 MSE H N 1 +ATOM 13895 C CA . MSE H 1 2 ? 34.068 100.754 147.118 1.00 40.05 ? ? ? ? ? ? 1 MSE H CA 1 +ATOM 13896 C C . MSE H 1 2 ? 35.592 100.666 147.034 1.00 37.37 ? ? ? ? ? ? 1 MSE H C 1 +ATOM 13897 O O . MSE H 1 2 ? 36.275 100.864 148.026 1.00 37.61 ? ? ? ? ? ? 1 MSE H O 1 +ATOM 13898 C CB . MSE H 1 2 ? 33.670 102.195 147.452 1.00 39.56 ? ? ? ? ? ? 1 MSE H CB 1 +ATOM 13899 C CG . MSE H 1 2 ? 34.225 103.261 146.502 1.00 41.23 ? ? ? ? ? ? 1 MSE H CG 1 +ATOM 13900 SE SE . MSE H 1 2 ? 33.731 105.119 147.001 0.75 45.73 ? ? ? ? ? ? 1 MSE H SE 1 +ATOM 13901 C CE . MSE H 1 2 ? 31.827 104.869 147.009 1.00 42.59 ? ? ? ? ? ? 1 MSE H CE 1 +ATOM 13902 N N . ASN H 1 3 ? 36.114 100.389 145.837 1.00 33.74 ? ? ? ? ? ? 2 ASN H N 1 +ATOM 13903 C CA . ASN H 1 3 ? 37.558 100.227 145.637 1.00 31.00 ? ? ? ? ? ? 2 ASN H CA 1 +ATOM 13904 C C . ASN H 1 3 ? 38.066 101.009 144.415 1.00 29.96 ? ? ? ? ? ? 2 ASN H C 1 +ATOM 13905 O O . ASN H 1 3 ? 37.985 100.523 143.273 1.00 27.90 ? ? ? ? ? ? 2 ASN H O 1 +ATOM 13906 C CB . ASN H 1 3 ? 37.870 98.749 145.502 1.00 29.73 ? ? ? ? ? ? 2 ASN H CB 1 +ATOM 13907 C CG . ASN H 1 3 ? 39.347 98.447 145.571 1.00 27.68 ? ? ? ? ? ? 2 ASN H CG 1 +ATOM 13908 O OD1 . ASN H 1 3 ? 40.205 99.310 145.339 1.00 27.72 ? ? ? ? ? ? 2 ASN H OD1 1 +ATOM 13909 N ND2 . ASN H 1 3 ? 39.652 97.198 145.859 1.00 24.08 ? ? ? ? ? ? 2 ASN H ND2 1 +ATOM 13910 N N . LYS H 1 4 ? 38.621 102.195 144.669 1.00 28.62 ? ? ? ? ? ? 3 LYS H N 1 +ATOM 13911 C CA . LYS H 1 4 ? 39.125 103.062 143.615 1.00 29.91 ? ? ? ? ? ? 3 LYS H CA 1 +ATOM 13912 C C . LYS H 1 4 ? 40.406 102.545 142.956 1.00 28.55 ? ? ? ? ? ? 3 LYS H C 1 +ATOM 13913 O O . LYS H 1 4 ? 40.801 103.029 141.902 1.00 27.88 ? ? ? ? ? ? 3 LYS H O 1 +ATOM 13914 C CB . LYS H 1 4 ? 39.409 104.459 144.168 1.00 31.76 ? ? ? ? ? ? 3 LYS H CB 1 +ATOM 13915 C CG . LYS H 1 4 ? 38.206 105.199 144.758 1.00 34.03 ? ? ? ? ? ? 3 LYS H CG 1 +ATOM 13916 C CD . LYS H 1 4 ? 38.592 106.702 144.924 1.00 33.06 ? ? ? ? ? ? 3 LYS H CD 1 +ATOM 13917 C CE . LYS H 1 4 ? 37.481 107.558 145.517 1.00 37.65 ? ? ? ? ? ? 3 LYS H CE 1 +ATOM 13918 N NZ . LYS H 1 4 ? 37.823 109.028 145.395 1.00 33.44 ? ? ? ? ? ? 3 LYS H NZ 1 +ATOM 13919 N N . GLU H 1 5 ? 41.059 101.571 143.570 1.00 27.87 ? ? ? ? ? ? 4 GLU H N 1 +ATOM 13920 C CA . GLU H 1 5 ? 42.295 101.035 143.034 1.00 27.63 ? ? ? ? ? ? 4 GLU H CA 1 +ATOM 13921 C C . GLU H 1 5 ? 42.070 100.121 141.814 1.00 23.96 ? ? ? ? ? ? 4 GLU H C 1 +ATOM 13922 O O . GLU H 1 5 ? 42.951 100.025 140.953 1.00 24.55 ? ? ? ? ? ? 4 GLU H O 1 +ATOM 13923 C CB . GLU H 1 5 ? 43.040 100.269 144.125 1.00 28.18 ? ? ? ? ? ? 4 GLU H CB 1 +ATOM 13924 C CG . GLU H 1 5 ? 44.436 99.805 143.707 1.00 31.93 ? ? ? ? ? ? 4 GLU H CG 1 +ATOM 13925 C CD . GLU H 1 5 ? 45.341 99.333 144.873 1.00 32.54 ? ? ? ? ? ? 4 GLU H CD 1 +ATOM 13926 O OE1 . GLU H 1 5 ? 44.857 99.018 145.985 1.00 40.79 ? ? ? ? ? ? 4 GLU H OE1 1 +ATOM 13927 O OE2 . GLU H 1 5 ? 46.567 99.285 144.659 1.00 32.70 ? ? ? ? ? ? 4 GLU H OE2 1 +ATOM 13928 N N . VAL H 1 6 ? 40.923 99.443 141.775 1.00 21.44 ? ? ? ? ? ? 5 VAL H N 1 +ATOM 13929 C CA . VAL H 1 6 ? 40.619 98.430 140.756 1.00 20.86 ? ? ? ? ? ? 5 VAL H CA 1 +ATOM 13930 C C . VAL H 1 6 ? 39.242 98.569 140.066 1.00 20.42 ? ? ? ? ? ? 5 VAL H C 1 +ATOM 13931 O O . VAL H 1 6 ? 38.935 97.826 139.122 1.00 20.83 ? ? ? ? ? ? 5 VAL H O 1 +ATOM 13932 C CB . VAL H 1 6 ? 40.742 96.968 141.336 1.00 19.52 ? ? ? ? ? ? 5 VAL H CB 1 +ATOM 13933 C CG1 . VAL H 1 6 ? 42.114 96.744 141.905 1.00 15.72 ? ? ? ? ? ? 5 VAL H CG1 1 +ATOM 13934 C CG2 . VAL H 1 6 ? 39.649 96.659 142.346 1.00 16.91 ? ? ? ? ? ? 5 VAL H CG2 1 +ATOM 13935 N N . ASP H 1 7 ? 38.440 99.532 140.486 1.00 19.60 ? ? ? ? ? ? 6 ASP H N 1 +ATOM 13936 C CA . ASP H 1 7 ? 37.110 99.739 139.917 1.00 19.44 ? ? ? ? ? ? 6 ASP H CA 1 +ATOM 13937 C C . ASP H 1 7 ? 37.029 101.146 139.335 1.00 20.07 ? ? ? ? ? ? 6 ASP H C 1 +ATOM 13938 O O . ASP H 1 7 ? 36.819 102.120 140.085 1.00 20.53 ? ? ? ? ? ? 6 ASP H O 1 +ATOM 13939 C CB . ASP H 1 7 ? 36.028 99.553 140.993 1.00 17.63 ? ? ? ? ? ? 6 ASP H CB 1 +ATOM 13940 C CG . ASP H 1 7 ? 34.606 99.619 140.428 1.00 21.65 ? ? ? ? ? ? 6 ASP H CG 1 +ATOM 13941 O OD1 . ASP H 1 7 ? 34.420 99.783 139.187 1.00 23.30 ? ? ? ? ? ? 6 ASP H OD1 1 +ATOM 13942 O OD2 . ASP H 1 7 ? 33.659 99.458 141.239 1.00 26.53 ? ? ? ? ? ? 6 ASP H OD2 1 +ATOM 13943 N N . LEU H 1 8 ? 37.160 101.273 138.011 1.00 18.86 ? ? ? ? ? ? 7 LEU H N 1 +ATOM 13944 C CA . LEU H 1 8 ? 37.140 102.625 137.394 1.00 19.85 ? ? ? ? ? ? 7 LEU H CA 1 +ATOM 13945 C C . LEU H 1 8 ? 35.856 103.403 137.613 1.00 20.45 ? ? ? ? ? ? 7 LEU H C 1 +ATOM 13946 O O . LEU H 1 8 ? 35.865 104.633 137.605 1.00 21.80 ? ? ? ? ? ? 7 LEU H O 1 +ATOM 13947 C CB . LEU H 1 8 ? 37.428 102.592 135.881 1.00 18.49 ? ? ? ? ? ? 7 LEU H CB 1 +ATOM 13948 C CG . LEU H 1 8 ? 37.962 103.924 135.325 1.00 16.69 ? ? ? ? ? ? 7 LEU H CG 1 +ATOM 13949 C CD1 . LEU H 1 8 ? 39.454 104.072 135.708 1.00 10.37 ? ? ? ? ? ? 7 LEU H CD1 1 +ATOM 13950 C CD2 . LEU H 1 8 ? 37.764 104.026 133.810 1.00 16.11 ? ? ? ? ? ? 7 LEU H CD2 1 +ATOM 13951 N N . SER H 1 9 ? 34.746 102.691 137.789 1.00 21.52 ? ? ? ? ? ? 8 SER H N 1 +ATOM 13952 C CA . SER H 1 9 ? 33.427 103.335 137.956 1.00 21.79 ? ? ? ? ? ? 8 SER H CA 1 +ATOM 13953 C C . SER H 1 9 ? 33.278 104.201 139.214 1.00 22.68 ? ? ? ? ? ? 8 SER H C 1 +ATOM 13954 O O . SER H 1 9 ? 32.321 104.999 139.317 1.00 23.46 ? ? ? ? ? ? 8 SER H O 1 +ATOM 13955 C CB . SER H 1 9 ? 32.358 102.274 137.956 1.00 23.36 ? ? ? ? ? ? 8 SER H CB 1 +ATOM 13956 O OG . SER H 1 9 ? 32.332 101.671 136.690 1.00 24.84 ? ? ? ? ? ? 8 SER H OG 1 +ATOM 13957 N N . VAL H 1 10 ? 34.202 104.024 140.168 1.00 22.32 ? ? ? ? ? ? 9 VAL H N 1 +ATOM 13958 C CA . VAL H 1 10 ? 34.304 104.871 141.361 1.00 22.66 ? ? ? ? ? ? 9 VAL H CA 1 +ATOM 13959 C C . VAL H 1 10 ? 35.695 105.547 141.524 1.00 24.03 ? ? ? ? ? ? 9 VAL H C 1 +ATOM 13960 O O . VAL H 1 10 ? 35.914 106.312 142.463 1.00 27.47 ? ? ? ? ? ? 9 VAL H O 1 +ATOM 13961 C CB . VAL H 1 10 ? 33.971 104.064 142.629 1.00 22.41 ? ? ? ? ? ? 9 VAL H CB 1 +ATOM 13962 C CG1 . VAL H 1 10 ? 32.502 103.581 142.595 1.00 18.84 ? ? ? ? ? ? 9 VAL H CG1 1 +ATOM 13963 C CG2 . VAL H 1 10 ? 34.929 102.881 142.832 1.00 19.80 ? ? ? ? ? ? 9 VAL H CG2 1 +ATOM 13964 N N . SER H 1 11 ? 36.619 105.295 140.603 1.00 22.56 ? ? ? ? ? ? 10 SER H N 1 +ATOM 13965 C CA . SER H 1 11 ? 37.971 105.803 140.723 1.00 21.80 ? ? ? ? ? ? 10 SER H CA 1 +ATOM 13966 C C . SER H 1 11 ? 38.174 107.195 140.152 1.00 22.58 ? ? ? ? ? ? 10 SER H C 1 +ATOM 13967 O O . SER H 1 11 ? 37.343 107.725 139.430 1.00 22.13 ? ? ? ? ? ? 10 SER H O 1 +ATOM 13968 C CB . SER H 1 11 ? 38.963 104.854 140.059 1.00 23.20 ? ? ? ? ? ? 10 SER H CB 1 +ATOM 13969 O OG . SER H 1 11 ? 40.279 105.210 140.482 1.00 22.45 ? ? ? ? ? ? 10 SER H OG 1 +ATOM 13970 N N . CYS H 1 12 ? 39.326 107.756 140.476 1.00 22.90 ? ? ? ? ? ? 11 CYS H N 1 +ATOM 13971 C CA . CYS H 1 12 ? 39.738 109.059 139.992 1.00 23.34 ? ? ? ? ? ? 11 CYS H CA 1 +ATOM 13972 C C . CYS H 1 12 ? 41.225 109.038 139.685 1.00 22.99 ? ? ? ? ? ? 11 CYS H C 1 +ATOM 13973 O O . CYS H 1 12 ? 41.966 108.154 140.161 1.00 23.91 ? ? ? ? ? ? 11 CYS H O 1 +ATOM 13974 C CB . CYS H 1 12 ? 39.423 110.114 141.051 1.00 25.99 ? ? ? ? ? ? 11 CYS H CB 1 +ATOM 13975 S SG . CYS H 1 12 ? 40.334 109.837 142.590 1.00 25.25 ? ? ? ? ? ? 11 CYS H SG 1 +ATOM 13976 N N . LEU H 1 13 ? 41.662 109.998 138.885 1.00 23.30 ? ? ? ? ? ? 12 LEU H N 1 +ATOM 13977 C CA . LEU H 1 13 ? 43.046 110.029 138.406 1.00 23.91 ? ? ? ? ? ? 12 LEU H CA 1 +ATOM 13978 C C . LEU H 1 13 ? 44.063 110.090 139.516 1.00 25.49 ? ? ? ? ? ? 12 LEU H C 1 +ATOM 13979 O O . LEU H 1 13 ? 45.135 109.513 139.395 1.00 26.38 ? ? ? ? ? ? 12 LEU H O 1 +ATOM 13980 C CB . LEU H 1 13 ? 43.292 111.220 137.471 1.00 24.69 ? ? ? ? ? ? 12 LEU H CB 1 +ATOM 13981 C CG . LEU H 1 13 ? 44.689 111.333 136.817 1.00 24.05 ? ? ? ? ? ? 12 LEU H CG 1 +ATOM 13982 C CD1 . LEU H 1 13 ? 45.123 110.023 136.076 1.00 19.05 ? ? ? ? ? ? 12 LEU H CD1 1 +ATOM 13983 C CD2 . LEU H 1 13 ? 44.735 112.552 135.855 1.00 22.94 ? ? ? ? ? ? 12 LEU H CD2 1 +ATOM 13984 N N . GLY H 1 14 ? 43.773 110.838 140.569 1.00 26.17 ? ? ? ? ? ? 13 GLY H N 1 +ATOM 13985 C CA . GLY H 1 14 ? 44.692 110.912 141.706 1.00 26.99 ? ? ? ? ? ? 13 GLY H CA 1 +ATOM 13986 C C . GLY H 1 14 ? 45.019 109.540 142.288 1.00 28.12 ? ? ? ? ? ? 13 GLY H C 1 +ATOM 13987 O O . GLY H 1 14 ? 46.151 109.268 142.631 1.00 28.94 ? ? ? ? ? ? 13 GLY H O 1 +ATOM 13988 N N . LYS H 1 15 ? 44.033 108.666 142.371 1.00 28.59 ? ? ? ? ? ? 14 LYS H N 1 +ATOM 13989 C CA . LYS H 1 15 ? 44.250 107.341 142.910 1.00 30.33 ? ? ? ? ? ? 14 LYS H CA 1 +ATOM 13990 C C . LYS H 1 15 ? 45.045 106.443 141.963 1.00 31.01 ? ? ? ? ? ? 14 LYS H C 1 +ATOM 13991 O O . LYS H 1 15 ? 45.885 105.665 142.405 1.00 35.30 ? ? ? ? ? ? 14 LYS H O 1 +ATOM 13992 C CB . LYS H 1 15 ? 42.917 106.679 143.248 1.00 30.92 ? ? ? ? ? ? 14 LYS H CB 1 +ATOM 13993 C CG . LYS H 1 15 ? 43.045 105.223 143.664 1.00 40.22 ? ? ? ? ? ? 14 LYS H CG 1 +ATOM 13994 C CD . LYS H 1 15 ? 43.903 105.062 144.929 1.00 45.14 ? ? ? ? ? ? 14 LYS H CD 1 +ATOM 13995 C CE . LYS H 1 15 ? 43.823 103.652 145.492 1.00 45.08 ? ? ? ? ? ? 14 LYS H CE 1 +ATOM 13996 N NZ . LYS H 1 15 ? 44.383 103.573 146.881 1.00 47.82 ? ? ? ? ? ? 14 LYS H NZ 1 +ATOM 13997 N N . VAL H 1 16 ? 44.802 106.543 140.661 1.00 29.59 ? ? ? ? ? ? 15 VAL H N 1 +ATOM 13998 C CA . VAL H 1 16 ? 45.399 105.584 139.748 1.00 28.34 ? ? ? ? ? ? 15 VAL H CA 1 +ATOM 13999 C C . VAL H 1 16 ? 46.753 106.020 139.170 1.00 29.29 ? ? ? ? ? ? 15 VAL H C 1 +ATOM 14000 O O . VAL H 1 16 ? 47.508 105.138 138.761 1.00 26.94 ? ? ? ? ? ? 15 VAL H O 1 +ATOM 14001 C CB . VAL H 1 16 ? 44.426 105.153 138.592 1.00 29.28 ? ? ? ? ? ? 15 VAL H CB 1 +ATOM 14002 C CG1 . VAL H 1 16 ? 43.055 104.818 139.150 1.00 28.41 ? ? ? ? ? ? 15 VAL H CG1 1 +ATOM 14003 C CG2 . VAL H 1 16 ? 44.344 106.180 137.510 1.00 23.07 ? ? ? ? ? ? 15 VAL H CG2 1 +ATOM 14004 N N . LYS H 1 17 ? 47.074 107.332 139.167 1.00 30.64 ? ? ? ? ? ? 16 LYS H N 1 +ATOM 14005 C CA . LYS H 1 17 ? 48.198 107.840 138.341 1.00 34.81 ? ? ? ? ? ? 16 LYS H CA 1 +ATOM 14006 C C . LYS H 1 17 ? 49.581 107.354 138.773 1.00 34.92 ? ? ? ? ? ? 16 LYS H C 1 +ATOM 14007 O O . LYS H 1 17 ? 50.482 107.222 137.951 1.00 35.45 ? ? ? ? ? ? 16 LYS H O 1 +ATOM 14008 C CB . LYS H 1 17 ? 48.188 109.387 138.154 1.00 34.97 ? ? ? ? ? ? 16 LYS H CB 1 +ATOM 14009 C CG . LYS H 1 17 ? 48.693 110.213 139.327 1.00 38.66 ? ? ? ? ? ? 16 LYS H CG 1 +ATOM 14010 C CD . LYS H 1 17 ? 49.068 111.669 138.940 1.00 39.81 ? ? ? ? ? ? 16 LYS H CD 1 +ATOM 14011 C CE . LYS H 1 17 ? 49.675 112.388 140.156 1.00 49.33 ? ? ? ? ? ? 16 LYS H CE 1 +ATOM 14012 N NZ . LYS H 1 17 ? 50.003 113.844 139.972 1.00 54.25 ? ? ? ? ? ? 16 LYS H NZ 1 +ATOM 14013 N N . GLU H 1 18 ? 49.766 107.087 140.053 1.00 36.04 ? ? ? ? ? ? 17 GLU H N 1 +ATOM 14014 C CA . GLU H 1 18 ? 51.076 106.639 140.518 1.00 39.81 ? ? ? ? ? ? 17 GLU H CA 1 +ATOM 14015 C C . GLU H 1 18 ? 51.226 105.102 140.536 1.00 38.52 ? ? ? ? ? ? 17 GLU H C 1 +ATOM 14016 O O . GLU H 1 18 ? 52.311 104.609 140.793 1.00 39.25 ? ? ? ? ? ? 17 GLU H O 1 +ATOM 14017 C CB . GLU H 1 18 ? 51.378 107.243 141.907 1.00 41.57 ? ? ? ? ? ? 17 GLU H CB 1 +ATOM 14018 C CG . GLU H 1 18 ? 51.428 108.812 141.929 1.00 49.31 ? ? ? ? ? ? 17 GLU H CG 1 +ATOM 14019 C CD . GLU H 1 18 ? 52.593 109.411 141.107 1.00 56.70 ? ? ? ? ? ? 17 GLU H CD 1 +ATOM 14020 O OE1 . GLU H 1 18 ? 53.763 109.299 141.549 1.00 62.41 ? ? ? ? ? ? 17 GLU H OE1 1 +ATOM 14021 O OE2 . GLU H 1 18 ? 52.347 110.016 140.035 1.00 60.47 ? ? ? ? ? ? 17 GLU H OE2 1 +ATOM 14022 N N . LEU H 1 19 ? 50.161 104.358 140.205 1.00 35.62 ? ? ? ? ? ? 18 LEU H N 1 +ATOM 14023 C CA . LEU H 1 19 ? 50.149 102.898 140.341 1.00 32.92 ? ? ? ? ? ? 18 LEU H CA 1 +ATOM 14024 C C . LEU H 1 19 ? 50.332 102.192 139.007 1.00 31.53 ? ? ? ? ? ? 18 LEU H C 1 +ATOM 14025 O O . LEU H 1 19 ? 49.921 102.685 137.967 1.00 32.26 ? ? ? ? ? ? 18 LEU H O 1 +ATOM 14026 C CB . LEU H 1 19 ? 48.843 102.432 140.983 1.00 32.84 ? ? ? ? ? ? 18 LEU H CB 1 +ATOM 14027 C CG . LEU H 1 19 ? 48.455 102.971 142.360 1.00 30.04 ? ? ? ? ? ? 18 LEU H CG 1 +ATOM 14028 C CD1 . LEU H 1 19 ? 47.059 102.465 142.743 1.00 24.84 ? ? ? ? ? ? 18 LEU H CD1 1 +ATOM 14029 C CD2 . LEU H 1 19 ? 49.477 102.579 143.413 1.00 29.86 ? ? ? ? ? ? 18 LEU H CD2 1 +ATOM 14030 N N . LYS H 1 20 ? 50.980 101.037 139.055 1.00 30.46 ? ? ? ? ? ? 19 LYS H N 1 +ATOM 14031 C CA . LYS H 1 20 ? 51.229 100.210 137.889 1.00 29.54 ? ? ? ? ? ? 19 LYS H CA 1 +ATOM 14032 C C . LYS H 1 20 ? 50.086 99.227 137.720 1.00 26.70 ? ? ? ? ? ? 19 LYS H C 1 +ATOM 14033 O O . LYS H 1 20 ? 49.665 98.580 138.683 1.00 24.33 ? ? ? ? ? ? 19 LYS H O 1 +ATOM 14034 C CB . LYS H 1 20 ? 52.548 99.463 138.080 1.00 31.18 ? ? ? ? ? ? 19 LYS H CB 1 +ATOM 14035 C CG . LYS H 1 20 ? 52.941 98.504 136.970 1.00 38.53 ? ? ? ? ? ? 19 LYS H CG 1 +ATOM 14036 C CD . LYS H 1 20 ? 53.317 99.261 135.740 1.00 46.40 ? ? ? ? ? ? 19 LYS H CD 1 +ATOM 14037 C CE . LYS H 1 20 ? 53.677 98.344 134.594 1.00 53.12 ? ? ? ? ? ? 19 LYS H CE 1 +ATOM 14038 N NZ . LYS H 1 20 ? 54.109 99.199 133.448 1.00 54.69 ? ? ? ? ? ? 19 LYS H NZ 1 +ATOM 14039 N N . TYR H 1 21 ? 49.579 99.115 136.494 1.00 25.09 ? ? ? ? ? ? 20 TYR H N 1 +ATOM 14040 C CA . TYR H 1 21 ? 48.502 98.190 136.192 1.00 24.19 ? ? ? ? ? ? 20 TYR H CA 1 +ATOM 14041 C C . TYR H 1 21 ? 48.981 97.201 135.141 1.00 24.04 ? ? ? ? ? ? 20 TYR H C 1 +ATOM 14042 O O . TYR H 1 21 ? 49.547 97.597 134.121 1.00 25.59 ? ? ? ? ? ? 20 TYR H O 1 +ATOM 14043 C CB . TYR H 1 21 ? 47.241 98.927 135.721 1.00 21.80 ? ? ? ? ? ? 20 TYR H CB 1 +ATOM 14044 C CG . TYR H 1 21 ? 46.533 99.671 136.823 1.00 21.98 ? ? ? ? ? ? 20 TYR H CG 1 +ATOM 14045 C CD1 . TYR H 1 21 ? 46.940 100.936 137.190 1.00 21.30 ? ? ? ? ? ? 20 TYR H CD1 1 +ATOM 14046 C CD2 . TYR H 1 21 ? 45.438 99.115 137.487 1.00 15.89 ? ? ? ? ? ? 20 TYR H CD2 1 +ATOM 14047 C CE1 . TYR H 1 21 ? 46.294 101.631 138.191 1.00 21.23 ? ? ? ? ? ? 20 TYR H CE1 1 +ATOM 14048 C CE2 . TYR H 1 21 ? 44.804 99.794 138.477 1.00 17.50 ? ? ? ? ? ? 20 TYR H CE2 1 +ATOM 14049 C CZ . TYR H 1 21 ? 45.236 101.074 138.821 1.00 18.82 ? ? ? ? ? ? 20 TYR H CZ 1 +ATOM 14050 O OH . TYR H 1 21 ? 44.622 101.808 139.800 1.00 22.06 ? ? ? ? ? ? 20 TYR H OH 1 +ATOM 14051 N N . ASP H 1 22 ? 48.700 95.924 135.393 1.00 24.86 ? ? ? ? ? ? 21 ASP H N 1 +ATOM 14052 C CA . ASP H 1 22 ? 49.222 94.813 134.594 1.00 26.10 ? ? ? ? ? ? 21 ASP H CA 1 +ATOM 14053 C C . ASP H 1 22 ? 48.239 94.304 133.525 1.00 25.92 ? ? ? ? ? ? 21 ASP H C 1 +ATOM 14054 O O . ASP H 1 22 ? 48.652 93.982 132.406 1.00 27.21 ? ? ? ? ? ? 21 ASP H O 1 +ATOM 14055 C CB . ASP H 1 22 ? 49.618 93.654 135.516 1.00 26.56 ? ? ? ? ? ? 21 ASP H CB 1 +ATOM 14056 C CG . ASP H 1 22 ? 50.715 94.036 136.513 1.00 33.11 ? ? ? ? ? ? 21 ASP H CG 1 +ATOM 14057 O OD1 . ASP H 1 22 ? 51.837 94.325 136.056 1.00 38.11 ? ? ? ? ? ? 21 ASP H OD1 1 +ATOM 14058 O OD2 . ASP H 1 22 ? 50.465 94.014 137.749 1.00 36.11 ? ? ? ? ? ? 21 ASP H OD2 1 +ATOM 14059 N N . VAL H 1 23 ? 46.962 94.197 133.899 1.00 23.80 ? ? ? ? ? ? 22 VAL H N 1 +ATOM 14060 C CA . VAL H 1 23 ? 45.903 93.703 133.021 1.00 22.85 ? ? ? ? ? ? 22 VAL H CA 1 +ATOM 14061 C C . VAL H 1 23 ? 44.692 94.637 133.134 1.00 21.45 ? ? ? ? ? ? 22 VAL H C 1 +ATOM 14062 O O . VAL H 1 23 ? 44.445 95.178 134.198 1.00 19.64 ? ? ? ? ? ? 22 VAL H O 1 +ATOM 14063 C CB . VAL H 1 23 ? 45.469 92.236 133.372 1.00 23.04 ? ? ? ? ? ? 22 VAL H CB 1 +ATOM 14064 C CG1 . VAL H 1 23 ? 44.547 91.631 132.289 1.00 17.25 ? ? ? ? ? ? 22 VAL H CG1 1 +ATOM 14065 C CG2 . VAL H 1 23 ? 46.670 91.353 133.588 1.00 22.37 ? ? ? ? ? ? 22 VAL H CG2 1 +ATOM 14066 N N . ILE H 1 24 ? 43.995 94.857 132.016 1.00 19.63 ? ? ? ? ? ? 23 ILE H N 1 +ATOM 14067 C CA . ILE H 1 24 ? 42.745 95.596 131.993 1.00 18.37 ? ? ? ? ? ? 23 ILE H CA 1 +ATOM 14068 C C . ILE H 1 24 ? 41.631 94.585 131.818 1.00 18.27 ? ? ? ? ? ? 23 ILE H C 1 +ATOM 14069 O O . ILE H 1 24 ? 41.790 93.618 131.053 1.00 18.16 ? ? ? ? ? ? 23 ILE H O 1 +ATOM 14070 C CB . ILE H 1 24 ? 42.659 96.645 130.834 1.00 18.93 ? ? ? ? ? ? 23 ILE H CB 1 +ATOM 14071 C CG1 . ILE H 1 24 ? 43.873 97.560 130.817 1.00 21.45 ? ? ? ? ? ? 23 ILE H CG1 1 +ATOM 14072 C CG2 . ILE H 1 24 ? 41.415 97.514 130.984 1.00 15.01 ? ? ? ? ? ? 23 ILE H CG2 1 +ATOM 14073 C CD1 . ILE H 1 24 ? 43.915 98.533 131.977 1.00 23.23 ? ? ? ? ? ? 23 ILE H CD1 1 +ATOM 14074 N N . ILE H 1 25 ? 40.514 94.808 132.529 1.00 17.82 ? ? ? ? ? ? 24 ILE H N 1 +ATOM 14075 C CA . ILE H 1 25 ? 39.341 93.953 132.430 1.00 13.68 ? ? ? ? ? ? 24 ILE H CA 1 +ATOM 14076 C C . ILE H 1 25 ? 38.179 94.821 131.944 1.00 16.84 ? ? ? ? ? ? 24 ILE H C 1 +ATOM 14077 O O . ILE H 1 25 ? 37.894 95.880 132.516 1.00 17.35 ? ? ? ? ? ? 24 ILE H O 1 +ATOM 14078 C CB . ILE H 1 25 ? 38.909 93.270 133.778 1.00 13.87 ? ? ? ? ? ? 24 ILE H CB 1 +ATOM 14079 C CG1 . ILE H 1 25 ? 40.085 92.688 134.584 1.00 16.35 ? ? ? ? ? ? 24 ILE H CG1 1 +ATOM 14080 C CG2 . ILE H 1 25 ? 37.835 92.230 133.526 1.00 9.81 ? ? ? ? ? ? 24 ILE H CG2 1 +ATOM 14081 C CD1 . ILE H 1 25 ? 41.001 91.935 133.800 1.00 27.72 ? ? ? ? ? ? 24 ILE H CD1 1 +ATOM 14082 N N . LEU H 1 26 ? 37.510 94.340 130.904 1.00 17.14 ? ? ? ? ? ? 25 LEU H N 1 +ATOM 14083 C CA . LEU H 1 26 ? 36.408 95.021 130.289 1.00 17.45 ? ? ? ? ? ? 25 LEU H CA 1 +ATOM 14084 C C . LEU H 1 26 ? 35.137 94.189 130.463 1.00 18.04 ? ? ? ? ? ? 25 LEU H C 1 +ATOM 14085 O O . LEU H 1 26 ? 34.913 93.207 129.734 1.00 18.50 ? ? ? ? ? ? 25 LEU H O 1 +ATOM 14086 C CB . LEU H 1 26 ? 36.721 95.291 128.807 1.00 18.50 ? ? ? ? ? ? 25 LEU H CB 1 +ATOM 14087 C CG . LEU H 1 26 ? 35.625 96.029 128.019 1.00 16.91 ? ? ? ? ? ? 25 LEU H CG 1 +ATOM 14088 C CD1 . LEU H 1 26 ? 35.398 97.457 128.630 1.00 15.86 ? ? ? ? ? ? 25 LEU H CD1 1 +ATOM 14089 C CD2 . LEU H 1 26 ? 35.940 96.078 126.521 1.00 13.62 ? ? ? ? ? ? 25 LEU H CD2 1 +ATOM 14090 N N . PRO H 1 27 ? 34.291 94.580 131.432 1.00 18.00 ? ? ? ? ? ? 26 PRO H N 1 +ATOM 14091 C CA . PRO H 1 27 ? 32.952 93.971 131.499 1.00 18.55 ? ? ? ? ? ? 26 PRO H CA 1 +ATOM 14092 C C . PRO H 1 27 ? 32.069 94.373 130.321 1.00 18.45 ? ? ? ? ? ? 26 PRO H C 1 +ATOM 14093 O O . PRO H 1 27 ? 31.960 95.550 130.016 1.00 18.45 ? ? ? ? ? ? 26 PRO H O 1 +ATOM 14094 C CB . PRO H 1 27 ? 32.357 94.539 132.806 1.00 16.55 ? ? ? ? ? ? 26 PRO H CB 1 +ATOM 14095 C CG . PRO H 1 27 ? 33.513 95.175 133.545 1.00 20.39 ? ? ? ? ? ? 26 PRO H CG 1 +ATOM 14096 C CD . PRO H 1 27 ? 34.490 95.586 132.487 1.00 18.93 ? ? ? ? ? ? 26 PRO H CD 1 +ATOM 14097 N N . TRP H 1 28 ? 31.420 93.393 129.695 1.00 18.80 ? ? ? ? ? ? 27 TRP H N 1 +ATOM 14098 C CA . TRP H 1 28 ? 30.570 93.640 128.579 1.00 17.21 ? ? ? ? ? ? 27 TRP H CA 1 +ATOM 14099 C C . TRP H 1 28 ? 29.223 92.939 128.779 1.00 16.48 ? ? ? ? ? ? 27 TRP H C 1 +ATOM 14100 O O . TRP H 1 28 ? 29.133 91.711 128.788 1.00 16.91 ? ? ? ? ? ? 27 TRP H O 1 +ATOM 14101 C CB . TRP H 1 28 ? 31.245 93.187 127.284 1.00 16.07 ? ? ? ? ? ? 27 TRP H CB 1 +ATOM 14102 C CG . TRP H 1 28 ? 30.729 93.901 126.073 1.00 16.04 ? ? ? ? ? ? 27 TRP H CG 1 +ATOM 14103 C CD1 . TRP H 1 28 ? 29.430 94.044 125.714 1.00 15.47 ? ? ? ? ? ? 27 TRP H CD1 1 +ATOM 14104 C CD2 . TRP H 1 28 ? 31.504 94.589 125.079 1.00 15.12 ? ? ? ? ? ? 27 TRP H CD2 1 +ATOM 14105 N NE1 . TRP H 1 28 ? 29.341 94.752 124.546 1.00 18.02 ? ? ? ? ? ? 27 TRP H NE1 1 +ATOM 14106 C CE2 . TRP H 1 28 ? 30.597 95.102 124.133 1.00 15.61 ? ? ? ? ? ? 27 TRP H CE2 1 +ATOM 14107 C CE3 . TRP H 1 28 ? 32.888 94.799 124.891 1.00 16.27 ? ? ? ? ? ? 27 TRP H CE3 1 +ATOM 14108 C CZ2 . TRP H 1 28 ? 31.003 95.844 123.005 1.00 18.07 ? ? ? ? ? ? 27 TRP H CZ2 1 +ATOM 14109 C CZ3 . TRP H 1 28 ? 33.308 95.538 123.763 1.00 18.08 ? ? ? ? ? ? 27 TRP H CZ3 1 +ATOM 14110 C CH2 . TRP H 1 28 ? 32.352 96.064 122.840 1.00 14.97 ? ? ? ? ? ? 27 TRP H CH2 1 +ATOM 14111 N N . GLY H 1 29 ? 28.180 93.745 128.886 1.00 16.29 ? ? ? ? ? ? 28 GLY H N 1 +ATOM 14112 C CA . GLY H 1 29 ? 26.833 93.263 129.152 1.00 16.66 ? ? ? ? ? ? 28 GLY H CA 1 +ATOM 14113 C C . GLY H 1 29 ? 25.854 93.539 128.014 1.00 16.90 ? ? ? ? ? ? 28 GLY H C 1 +ATOM 14114 O O . GLY H 1 29 ? 26.153 93.336 126.833 1.00 16.24 ? ? ? ? ? ? 28 GLY H O 1 +ATOM 14115 N N . ALA H 1 30 ? 24.674 93.978 128.412 1.00 17.33 ? ? ? ? ? ? 29 ALA H N 1 +ATOM 14116 C CA . ALA H 1 30 ? 23.520 94.144 127.555 1.00 16.75 ? ? ? ? ? ? 29 ALA H CA 1 +ATOM 14117 C C . ALA H 1 30 ? 22.498 94.921 128.389 1.00 17.66 ? ? ? ? ? ? 29 ALA H C 1 +ATOM 14118 O O . ALA H 1 30 ? 22.520 94.848 129.629 1.00 18.58 ? ? ? ? ? ? 29 ALA H O 1 +ATOM 14119 C CB . ALA H 1 30 ? 22.917 92.795 127.137 1.00 12.32 ? ? ? ? ? ? 29 ALA H CB 1 +ATOM 14120 N N . THR H 1 31 ? 21.610 95.621 127.691 1.00 18.70 ? ? ? ? ? ? 30 THR H N 1 +ATOM 14121 C CA . THR H 1 31 ? 20.427 96.259 128.263 1.00 18.67 ? ? ? ? ? ? 30 THR H CA 1 +ATOM 14122 C C . THR H 1 31 ? 19.242 95.433 127.804 1.00 20.01 ? ? ? ? ? ? 30 THR H C 1 +ATOM 14123 O O . THR H 1 31 ? 18.821 95.520 126.637 1.00 19.20 ? ? ? ? ? ? 30 THR H O 1 +ATOM 14124 C CB . THR H 1 31 ? 20.357 97.755 127.812 1.00 18.31 ? ? ? ? ? ? 30 THR H CB 1 +ATOM 14125 O OG1 . THR H 1 31 ? 21.617 98.384 128.065 1.00 15.52 ? ? ? ? ? ? 30 THR H OG1 1 +ATOM 14126 C CG2 . THR H 1 31 ? 19.297 98.511 128.570 1.00 17.80 ? ? ? ? ? ? 30 THR H CG2 1 +ATOM 14127 N N . GLU H 1 32 ? 18.710 94.613 128.722 1.00 20.39 ? ? ? ? ? ? 31 GLU H N 1 +ATOM 14128 C CA . GLU H 1 32 ? 17.856 93.459 128.368 1.00 20.65 ? ? ? ? ? ? 31 GLU H CA 1 +ATOM 14129 C C . GLU H 1 32 ? 16.907 93.045 129.508 1.00 20.97 ? ? ? ? ? ? 31 GLU H C 1 +ATOM 14130 O O . GLU H 1 32 ? 17.336 92.855 130.648 1.00 20.95 ? ? ? ? ? ? 31 GLU H O 1 +ATOM 14131 C CB . GLU H 1 32 ? 18.765 92.255 128.030 1.00 21.75 ? ? ? ? ? ? 31 GLU H CB 1 +ATOM 14132 C CG . GLU H 1 32 ? 18.078 90.944 127.561 1.00 18.69 ? ? ? ? ? ? 31 GLU H CG 1 +ATOM 14133 C CD . GLU H 1 32 ? 19.065 89.772 127.394 1.00 23.18 ? ? ? ? ? ? 31 GLU H CD 1 +ATOM 14134 O OE1 . GLU H 1 32 ? 20.088 89.757 128.120 1.00 23.32 ? ? ? ? ? ? 31 GLU H OE1 1 +ATOM 14135 O OE2 . GLU H 1 32 ? 18.822 88.860 126.561 1.00 22.86 ? ? ? ? ? ? 31 GLU H OE2 1 +ATOM 14136 N N . PRO H 1 33 ? 15.610 92.930 129.214 1.00 22.11 ? ? ? ? ? ? 32 PRO H N 1 +ATOM 14137 C CA . PRO H 1 33 ? 14.698 92.359 130.210 1.00 22.04 ? ? ? ? ? ? 32 PRO H CA 1 +ATOM 14138 C C . PRO H 1 33 ? 15.163 90.967 130.706 1.00 21.31 ? ? ? ? ? ? 32 PRO H C 1 +ATOM 14139 O O . PRO H 1 33 ? 15.596 90.135 129.915 1.00 20.57 ? ? ? ? ? ? 32 PRO H O 1 +ATOM 14140 C CB . PRO H 1 33 ? 13.367 92.255 129.462 1.00 22.80 ? ? ? ? ? ? 32 PRO H CB 1 +ATOM 14141 C CG . PRO H 1 33 ? 13.493 93.184 128.280 1.00 24.42 ? ? ? ? ? ? 32 PRO H CG 1 +ATOM 14142 C CD . PRO H 1 33 ? 14.937 93.371 127.985 1.00 20.68 ? ? ? ? ? ? 32 PRO H CD 1 +ATOM 14143 N N . HIS H 1 34 ? 15.087 90.742 132.007 1.00 20.45 ? ? ? ? ? ? 33 HIS H N 1 +ATOM 14144 C CA . HIS H 1 34 ? 15.472 89.469 132.629 1.00 19.98 ? ? ? ? ? ? 33 HIS H CA 1 +ATOM 14145 C C . HIS H 1 34 ? 14.315 88.911 133.465 1.00 20.74 ? ? ? ? ? ? 33 HIS H C 1 +ATOM 14146 O O . HIS H 1 34 ? 14.278 89.122 134.692 1.00 18.15 ? ? ? ? ? ? 33 HIS H O 1 +ATOM 14147 C CB . HIS H 1 34 ? 16.662 89.710 133.545 1.00 19.08 ? ? ? ? ? ? 33 HIS H CB 1 +ATOM 14148 C CG . HIS H 1 34 ? 17.976 89.641 132.852 1.00 20.15 ? ? ? ? ? ? 33 HIS H CG 1 +ATOM 14149 N ND1 . HIS H 1 34 ? 18.386 90.581 131.932 1.00 19.96 ? ? ? ? ? ? 33 HIS H ND1 1 +ATOM 14150 C CD2 . HIS H 1 34 ? 18.965 88.731 132.933 1.00 15.62 ? ? ? ? ? ? 33 HIS H CD2 1 +ATOM 14151 C CE1 . HIS H 1 34 ? 19.589 90.259 131.498 1.00 21.81 ? ? ? ? ? ? 33 HIS H CE1 1 +ATOM 14152 N NE2 . HIS H 1 34 ? 19.964 89.142 132.091 1.00 19.50 ? ? ? ? ? ? 33 HIS H NE2 1 +ATOM 14153 N N . ASN H 1 35 ? 13.370 88.227 132.817 1.00 21.23 ? ? ? ? ? ? 34 ASN H N 1 +ATOM 14154 C CA . ASN H 1 35 ? 12.136 87.832 133.499 1.00 22.29 ? ? ? ? ? ? 34 ASN H CA 1 +ATOM 14155 C C . ASN H 1 35 ? 11.518 89.146 134.038 1.00 23.46 ? ? ? ? ? ? 34 ASN H C 1 +ATOM 14156 O O . ASN H 1 35 ? 11.807 90.224 133.527 1.00 23.43 ? ? ? ? ? ? 34 ASN H O 1 +ATOM 14157 C CB . ASN H 1 35 ? 12.452 86.775 134.595 1.00 23.37 ? ? ? ? ? ? 34 ASN H CB 1 +ATOM 14158 C CG . ASN H 1 35 ? 11.224 85.973 135.073 1.00 21.87 ? ? ? ? ? ? 34 ASN H CG 1 +ATOM 14159 O OD1 . ASN H 1 35 ? 10.162 86.544 135.291 1.00 19.64 ? ? ? ? ? ? 34 ASN H OD1 1 +ATOM 14160 N ND2 . ASN H 1 35 ? 11.400 84.653 135.299 1.00 18.41 ? ? ? ? ? ? 34 ASN H ND2 1 +ATOM 14161 N N . LEU H 1 36 ? 10.687 89.073 135.069 1.00 23.72 ? ? ? ? ? ? 35 LEU H N 1 +ATOM 14162 C CA . LEU H 1 36 ? 10.039 90.267 135.563 1.00 23.01 ? ? ? ? ? ? 35 LEU H CA 1 +ATOM 14163 C C . LEU H 1 36 ? 10.847 90.918 136.674 1.00 22.08 ? ? ? ? ? ? 35 LEU H C 1 +ATOM 14164 O O . LEU H 1 36 ? 10.675 92.092 136.961 1.00 23.89 ? ? ? ? ? ? 35 LEU H O 1 +ATOM 14165 C CB . LEU H 1 36 ? 8.622 89.935 136.061 1.00 24.41 ? ? ? ? ? ? 35 LEU H CB 1 +ATOM 14166 C CG . LEU H 1 36 ? 7.666 89.281 135.073 1.00 24.50 ? ? ? ? ? ? 35 LEU H CG 1 +ATOM 14167 C CD1 . LEU H 1 36 ? 6.361 88.996 135.776 1.00 27.95 ? ? ? ? ? ? 35 LEU H CD1 1 +ATOM 14168 C CD2 . LEU H 1 36 ? 7.455 90.187 133.834 1.00 22.93 ? ? ? ? ? ? 35 LEU H CD2 1 +ATOM 14169 N N . HIS H 1 37 ? 11.767 90.166 137.266 1.00 22.14 ? ? ? ? ? ? 36 HIS H N 1 +ATOM 14170 C CA . HIS H 1 37 ? 12.320 90.515 138.585 1.00 22.06 ? ? ? ? ? ? 36 HIS H CA 1 +ATOM 14171 C C . HIS H 1 37 ? 13.755 91.044 138.570 1.00 22.47 ? ? ? ? ? ? 36 HIS H C 1 +ATOM 14172 O O . HIS H 1 37 ? 14.145 91.815 139.469 1.00 23.17 ? ? ? ? ? ? 36 HIS H O 1 +ATOM 14173 C CB . HIS H 1 37 ? 12.235 89.316 139.530 1.00 22.42 ? ? ? ? ? ? 36 HIS H CB 1 +ATOM 14174 C CG . HIS H 1 37 ? 13.073 88.151 139.120 1.00 22.93 ? ? ? ? ? ? 36 HIS H CG 1 +ATOM 14175 N ND1 . HIS H 1 37 ? 12.973 87.563 137.876 1.00 19.26 ? ? ? ? ? ? 36 HIS H ND1 1 +ATOM 14176 C CD2 . HIS H 1 37 ? 14.006 87.440 139.804 1.00 18.73 ? ? ? ? ? ? 36 HIS H CD2 1 +ATOM 14177 C CE1 . HIS H 1 37 ? 13.823 86.554 137.805 1.00 21.23 ? ? ? ? ? ? 36 HIS H CE1 1 +ATOM 14178 N NE2 . HIS H 1 37 ? 14.455 86.451 138.963 1.00 19.27 ? ? ? ? ? ? 36 HIS H NE2 1 +ATOM 14179 N N . LEU H 1 38 ? 14.555 90.627 137.589 1.00 21.16 ? ? ? ? ? ? 37 LEU H N 1 +ATOM 14180 C CA . LEU H 1 38 ? 15.963 91.032 137.571 1.00 20.36 ? ? ? ? ? ? 37 LEU H CA 1 +ATOM 14181 C C . LEU H 1 38 ? 16.191 92.379 136.819 1.00 19.73 ? ? ? ? ? ? 37 LEU H C 1 +ATOM 14182 O O . LEU H 1 38 ? 15.430 92.762 135.940 1.00 19.22 ? ? ? ? ? ? 37 LEU H O 1 +ATOM 14183 C CB . LEU H 1 38 ? 16.821 89.935 136.970 1.00 20.46 ? ? ? ? ? ? 37 LEU H CB 1 +ATOM 14184 C CG . LEU H 1 38 ? 17.244 88.772 137.841 1.00 19.04 ? ? ? ? ? ? 37 LEU H CG 1 +ATOM 14185 C CD1 . LEU H 1 38 ? 17.926 87.769 136.924 1.00 17.42 ? ? ? ? ? ? 37 LEU H CD1 1 +ATOM 14186 C CD2 . LEU H 1 38 ? 18.176 89.216 138.974 1.00 18.50 ? ? ? ? ? ? 37 LEU H CD2 1 +ATOM 14187 N N . PRO H 1 39 ? 17.223 93.113 137.220 1.00 20.68 ? ? ? ? ? ? 38 PRO H N 1 +ATOM 14188 C CA . PRO H 1 39 ? 17.597 94.344 136.532 1.00 20.96 ? ? ? ? ? ? 38 PRO H CA 1 +ATOM 14189 C C . PRO H 1 39 ? 17.854 94.191 135.019 1.00 19.80 ? ? ? ? ? ? 38 PRO H C 1 +ATOM 14190 O O . PRO H 1 39 ? 18.458 93.195 134.544 1.00 18.62 ? ? ? ? ? ? 38 PRO H O 1 +ATOM 14191 C CB . PRO H 1 39 ? 18.903 94.768 137.245 1.00 21.09 ? ? ? ? ? ? 38 PRO H CB 1 +ATOM 14192 C CG . PRO H 1 39 ? 18.833 94.156 138.545 1.00 21.66 ? ? ? ? ? ? 38 PRO H CG 1 +ATOM 14193 C CD . PRO H 1 39 ? 18.085 92.858 138.376 1.00 17.93 ? ? ? ? ? ? 38 PRO H CD 1 +ATOM 14194 N N . TYR H 1 40 ? 17.411 95.214 134.284 1.00 19.34 ? ? ? ? ? ? 39 TYR H N 1 +ATOM 14195 C CA . TYR H 1 40 ? 17.770 95.410 132.883 1.00 18.88 ? ? ? ? ? ? 39 TYR H CA 1 +ATOM 14196 C C . TYR H 1 40 ? 19.264 95.364 132.635 1.00 18.36 ? ? ? ? ? ? 39 TYR H C 1 +ATOM 14197 O O . TYR H 1 40 ? 19.668 94.965 131.551 1.00 18.79 ? ? ? ? ? ? 39 TYR H O 1 +ATOM 14198 C CB . TYR H 1 40 ? 17.220 96.757 132.367 1.00 19.69 ? ? ? ? ? ? 39 TYR H CB 1 +ATOM 14199 C CG . TYR H 1 40 ? 15.822 96.700 131.797 1.00 20.38 ? ? ? ? ? ? 39 TYR H CG 1 +ATOM 14200 C CD1 . TYR H 1 40 ? 14.702 96.852 132.620 1.00 20.30 ? ? ? ? ? ? 39 TYR H CD1 1 +ATOM 14201 C CD2 . TYR H 1 40 ? 15.615 96.523 130.430 1.00 18.91 ? ? ? ? ? ? 39 TYR H CD2 1 +ATOM 14202 C CE1 . TYR H 1 40 ? 13.412 96.828 132.092 1.00 21.70 ? ? ? ? ? ? 39 TYR H CE1 1 +ATOM 14203 C CE2 . TYR H 1 40 ? 14.322 96.485 129.896 1.00 20.98 ? ? ? ? ? ? 39 TYR H CE2 1 +ATOM 14204 C CZ . TYR H 1 40 ? 13.221 96.637 130.722 1.00 22.27 ? ? ? ? ? ? 39 TYR H CZ 1 +ATOM 14205 O OH . TYR H 1 40 ? 11.922 96.600 130.195 1.00 18.83 ? ? ? ? ? ? 39 TYR H OH 1 +ATOM 14206 N N . LEU H 1 41 ? 20.068 95.799 133.617 1.00 18.27 ? ? ? ? ? ? 40 LEU H N 1 +ATOM 14207 C CA . LEU H 1 41 ? 21.541 95.764 133.519 1.00 17.69 ? ? ? ? ? ? 40 LEU H CA 1 +ATOM 14208 C C . LEU H 1 41 ? 22.256 94.585 134.205 1.00 17.69 ? ? ? ? ? ? 40 LEU H C 1 +ATOM 14209 O O . LEU H 1 41 ? 23.491 94.576 134.374 1.00 18.36 ? ? ? ? ? ? 40 LEU H O 1 +ATOM 14210 C CB . LEU H 1 41 ? 22.145 97.077 134.006 1.00 17.03 ? ? ? ? ? ? 40 LEU H CB 1 +ATOM 14211 C CG . LEU H 1 41 ? 21.869 98.354 133.207 1.00 17.32 ? ? ? ? ? ? 40 LEU H CG 1 +ATOM 14212 C CD1 . LEU H 1 41 ? 22.514 99.502 133.967 1.00 15.10 ? ? ? ? ? ? 40 LEU H CD1 1 +ATOM 14213 C CD2 . LEU H 1 41 ? 22.404 98.244 131.830 1.00 16.68 ? ? ? ? ? ? 40 LEU H CD2 1 +ATOM 14214 N N . THR H 1 42 ? 21.508 93.561 134.538 1.00 18.74 ? ? ? ? ? ? 41 THR H N 1 +ATOM 14215 C CA . THR H 1 42 ? 22.076 92.334 135.092 1.00 18.32 ? ? ? ? ? ? 41 THR H CA 1 +ATOM 14216 C C . THR H 1 42 ? 23.358 91.927 134.362 1.00 18.65 ? ? ? ? ? ? 41 THR H C 1 +ATOM 14217 O O . THR H 1 42 ? 24.335 91.626 134.991 1.00 18.16 ? ? ? ? ? ? 41 THR H O 1 +ATOM 14218 C CB . THR H 1 42 ? 21.038 91.188 135.041 1.00 17.84 ? ? ? ? ? ? 41 THR H CB 1 +ATOM 14219 O OG1 . THR H 1 42 ? 19.937 91.499 135.881 1.00 17.25 ? ? ? ? ? ? 41 THR H OG1 1 +ATOM 14220 C CG2 . THR H 1 42 ? 21.624 89.844 135.471 1.00 15.83 ? ? ? ? ? ? 41 THR H CG2 1 +ATOM 14221 N N . ASP H 1 43 ? 23.370 91.921 133.043 1.00 18.81 ? ? ? ? ? ? 42 ASP H N 1 +ATOM 14222 C CA . ASP H 1 43 ? 24.555 91.431 132.309 1.00 18.02 ? ? ? ? ? ? 42 ASP H CA 1 +ATOM 14223 C C . ASP H 1 43 ? 25.764 92.349 132.359 1.00 18.07 ? ? ? ? ? ? 42 ASP H C 1 +ATOM 14224 O O . ASP H 1 43 ? 26.876 91.946 131.994 1.00 17.80 ? ? ? ? ? ? 42 ASP H O 1 +ATOM 14225 C CB . ASP H 1 43 ? 24.225 91.161 130.840 1.00 17.73 ? ? ? ? ? ? 42 ASP H CB 1 +ATOM 14226 C CG . ASP H 1 43 ? 23.246 90.037 130.657 1.00 20.38 ? ? ? ? ? ? 42 ASP H CG 1 +ATOM 14227 O OD1 . ASP H 1 43 ? 22.971 89.334 131.648 1.00 19.79 ? ? ? ? ? ? 42 ASP H OD1 1 +ATOM 14228 O OD2 . ASP H 1 43 ? 22.748 89.864 129.518 1.00 20.42 ? ? ? ? ? ? 42 ASP H OD2 1 +ATOM 14229 N N . CYS H 1 44 ? 25.554 93.591 132.769 1.00 18.47 ? ? ? ? ? ? 43 CYS H N 1 +ATOM 14230 C CA . CYS H 1 44 ? 26.664 94.491 133.096 1.00 19.79 ? ? ? ? ? ? 43 CYS H CA 1 +ATOM 14231 C C . CYS H 1 44 ? 27.123 94.326 134.532 1.00 18.87 ? ? ? ? ? ? 43 CYS H C 1 +ATOM 14232 O O . CYS H 1 44 ? 28.310 94.178 134.805 1.00 18.75 ? ? ? ? ? ? 43 CYS H O 1 +ATOM 14233 C CB . CYS H 1 44 ? 26.230 95.954 132.885 1.00 19.18 ? ? ? ? ? ? 43 CYS H CB 1 +ATOM 14234 S SG . CYS H 1 44 ? 25.938 96.422 131.182 1.00 22.23 ? ? ? ? ? ? 43 CYS H SG 1 +ATOM 14235 N N . ILE H 1 45 ? 26.152 94.368 135.445 1.00 18.51 ? ? ? ? ? ? 44 ILE H N 1 +ATOM 14236 C CA . ILE H 1 45 ? 26.374 94.332 136.908 1.00 18.69 ? ? ? ? ? ? 44 ILE H CA 1 +ATOM 14237 C C . ILE H 1 45 ? 27.171 93.087 137.343 1.00 19.35 ? ? ? ? ? ? 44 ILE H C 1 +ATOM 14238 O O . ILE H 1 45 ? 28.202 93.197 138.008 1.00 20.13 ? ? ? ? ? ? 44 ILE H O 1 +ATOM 14239 C CB . ILE H 1 45 ? 25.024 94.446 137.699 1.00 18.69 ? ? ? ? ? ? 44 ILE H CB 1 +ATOM 14240 C CG1 . ILE H 1 45 ? 24.346 95.800 137.435 1.00 20.04 ? ? ? ? ? ? 44 ILE H CG1 1 +ATOM 14241 C CG2 . ILE H 1 45 ? 25.265 94.323 139.187 1.00 17.27 ? ? ? ? ? ? 44 ILE H CG2 1 +ATOM 14242 C CD1 . ILE H 1 45 ? 22.827 95.891 137.851 1.00 17.60 ? ? ? ? ? ? 44 ILE H CD1 1 +ATOM 14243 N N . LEU H 1 46 ? 26.726 91.907 136.924 1.00 19.08 ? ? ? ? ? ? 45 LEU H N 1 +ATOM 14244 C CA . LEU H 1 46 ? 27.335 90.675 137.397 1.00 18.97 ? ? ? ? ? ? 45 LEU H CA 1 +ATOM 14245 C C . LEU H 1 46 ? 28.804 90.504 136.993 1.00 18.35 ? ? ? ? ? ? 45 LEU H C 1 +ATOM 14246 O O . LEU H 1 46 ? 29.640 90.326 137.865 1.00 18.30 ? ? ? ? ? ? 45 LEU H O 1 +ATOM 14247 C CB . LEU H 1 46 ? 26.456 89.452 137.066 1.00 18.98 ? ? ? ? ? ? 45 LEU H CB 1 +ATOM 14248 C CG . LEU H 1 46 ? 25.053 89.503 137.738 1.00 18.58 ? ? ? ? ? ? 45 LEU H CG 1 +ATOM 14249 C CD1 . LEU H 1 46 ? 24.307 88.236 137.468 1.00 14.99 ? ? ? ? ? ? 45 LEU H CD1 1 +ATOM 14250 C CD2 . LEU H 1 46 ? 25.161 89.794 139.247 1.00 14.12 ? ? ? ? ? ? 45 LEU H CD2 1 +ATOM 14251 N N . PRO H 1 47 ? 29.154 90.616 135.692 1.00 18.54 ? ? ? ? ? ? 46 PRO H N 1 +ATOM 14252 C CA . PRO H 1 47 ? 30.603 90.553 135.385 1.00 18.55 ? ? ? ? ? ? 46 PRO H CA 1 +ATOM 14253 C C . PRO H 1 47 ? 31.459 91.707 135.966 1.00 18.45 ? ? ? ? ? ? 46 PRO H C 1 +ATOM 14254 O O . PRO H 1 47 ? 32.637 91.500 136.286 1.00 20.52 ? ? ? ? ? ? 46 PRO H O 1 +ATOM 14255 C CB . PRO H 1 47 ? 30.625 90.540 133.861 1.00 19.38 ? ? ? ? ? ? 46 PRO H CB 1 +ATOM 14256 C CG . PRO H 1 47 ? 29.405 91.263 133.496 1.00 17.87 ? ? ? ? ? ? 46 PRO H CG 1 +ATOM 14257 C CD . PRO H 1 47 ? 28.368 90.776 134.464 1.00 18.91 ? ? ? ? ? ? 46 PRO H CD 1 +ATOM 14258 N N . HIS H 1 48 ? 30.871 92.887 136.152 1.00 19.42 ? ? ? ? ? ? 47 HIS H N 1 +ATOM 14259 C CA . HIS H 1 48 ? 31.563 93.981 136.843 1.00 20.98 ? ? ? ? ? ? 47 HIS H CA 1 +ATOM 14260 C C . HIS H 1 48 ? 31.954 93.584 138.271 1.00 19.74 ? ? ? ? ? ? 47 HIS H C 1 +ATOM 14261 O O . HIS H 1 48 ? 33.103 93.725 138.656 1.00 18.71 ? ? ? ? ? ? 47 HIS H O 1 +ATOM 14262 C CB . HIS H 1 48 ? 30.699 95.239 136.892 1.00 20.98 ? ? ? ? ? ? 47 HIS H CB 1 +ATOM 14263 C CG . HIS H 1 48 ? 31.286 96.342 137.717 1.00 22.53 ? ? ? ? ? ? 47 HIS H CG 1 +ATOM 14264 N ND1 . HIS H 1 48 ? 31.037 96.475 139.072 1.00 25.10 ? ? ? ? ? ? 47 HIS H ND1 1 +ATOM 14265 C CD2 . HIS H 1 48 ? 32.106 97.362 137.380 1.00 20.92 ? ? ? ? ? ? 47 HIS H CD2 1 +ATOM 14266 C CE1 . HIS H 1 48 ? 31.711 97.513 139.532 1.00 26.21 ? ? ? ? ? ? 47 HIS H CE1 1 +ATOM 14267 N NE2 . HIS H 1 48 ? 32.363 98.069 138.523 1.00 23.23 ? ? ? ? ? ? 47 HIS H NE2 1 +ATOM 14268 N N . ASP H 1 49 ? 30.975 93.091 139.037 1.00 20.98 ? ? ? ? ? ? 48 ASP H N 1 +ATOM 14269 C CA . ASP H 1 49 ? 31.175 92.735 140.458 1.00 21.16 ? ? ? ? ? ? 48 ASP H CA 1 +ATOM 14270 C C . ASP H 1 49 ? 32.131 91.544 140.623 1.00 20.60 ? ? ? ? ? ? 48 ASP H C 1 +ATOM 14271 O O . ASP H 1 49 ? 33.021 91.574 141.447 1.00 20.81 ? ? ? ? ? ? 48 ASP H O 1 +ATOM 14272 C CB . ASP H 1 49 ? 29.823 92.457 141.108 1.00 21.51 ? ? ? ? ? ? 48 ASP H CB 1 +ATOM 14273 C CG . ASP H 1 49 ? 29.032 93.734 141.372 1.00 24.50 ? ? ? ? ? ? 48 ASP H CG 1 +ATOM 14274 O OD1 . ASP H 1 49 ? 29.442 94.843 140.931 1.00 29.74 ? ? ? ? ? ? 48 ASP H OD1 1 +ATOM 14275 O OD2 . ASP H 1 49 ? 27.995 93.627 142.029 1.00 25.45 ? ? ? ? ? ? 48 ASP H OD2 1 +ATOM 14276 N N . ILE H 1 50 ? 31.953 90.535 139.788 1.00 19.59 ? ? ? ? ? ? 49 ILE H N 1 +ATOM 14277 C CA . ILE H 1 50 ? 32.878 89.407 139.714 1.00 18.71 ? ? ? ? ? ? 49 ILE H CA 1 +ATOM 14278 C C . ILE H 1 50 ? 34.285 89.841 139.360 1.00 19.08 ? ? ? ? ? ? 49 ILE H C 1 +ATOM 14279 O O . ILE H 1 50 ? 35.236 89.372 139.950 1.00 19.70 ? ? ? ? ? ? 49 ILE H O 1 +ATOM 14280 C CB . ILE H 1 50 ? 32.388 88.355 138.682 1.00 19.70 ? ? ? ? ? ? 49 ILE H CB 1 +ATOM 14281 C CG1 . ILE H 1 50 ? 31.039 87.761 139.120 1.00 17.05 ? ? ? ? ? ? 49 ILE H CG1 1 +ATOM 14282 C CG2 . ILE H 1 50 ? 33.411 87.219 138.480 1.00 17.44 ? ? ? ? ? ? 49 ILE H CG2 1 +ATOM 14283 C CD1 . ILE H 1 50 ? 30.526 86.803 138.139 1.00 16.56 ? ? ? ? ? ? 49 ILE H CD1 1 +ATOM 14284 N N . ALA H 1 51 ? 34.419 90.708 138.370 1.00 19.52 ? ? ? ? ? ? 50 ALA H N 1 +ATOM 14285 C CA . ALA H 1 51 ? 35.736 91.162 137.906 1.00 19.25 ? ? ? ? ? ? 50 ALA H CA 1 +ATOM 14286 C C . ALA H 1 51 ? 36.477 91.893 139.006 1.00 19.16 ? ? ? ? ? ? 50 ALA H C 1 +ATOM 14287 O O . ALA H 1 51 ? 37.676 91.715 139.174 1.00 19.49 ? ? ? ? ? ? 50 ALA H O 1 +ATOM 14288 C CB . ALA H 1 51 ? 35.597 92.095 136.680 1.00 17.22 ? ? ? ? ? ? 50 ALA H CB 1 +ATOM 14289 N N . VAL H 1 52 ? 35.753 92.731 139.739 1.00 19.43 ? ? ? ? ? ? 51 VAL H N 1 +ATOM 14290 C CA . VAL H 1 52 ? 36.318 93.515 140.846 1.00 20.57 ? ? ? ? ? ? 51 VAL H CA 1 +ATOM 14291 C C . VAL H 1 52 ? 36.814 92.588 141.965 1.00 20.43 ? ? ? ? ? ? 51 VAL H C 1 +ATOM 14292 O O . VAL H 1 52 ? 37.961 92.680 142.420 1.00 20.49 ? ? ? ? ? ? 51 VAL H O 1 +ATOM 14293 C CB . VAL H 1 52 ? 35.249 94.548 141.347 1.00 21.18 ? ? ? ? ? ? 51 VAL H CB 1 +ATOM 14294 C CG1 . VAL H 1 52 ? 35.594 95.098 142.758 1.00 18.05 ? ? ? ? ? ? 51 VAL H CG1 1 +ATOM 14295 C CG2 . VAL H 1 52 ? 35.132 95.652 140.341 1.00 16.90 ? ? ? ? ? ? 51 VAL H CG2 1 +ATOM 14296 N N . GLU H 1 53 ? 35.973 91.648 142.366 1.00 21.22 ? ? ? ? ? ? 52 GLU H N 1 +ATOM 14297 C CA A GLU H 1 53 ? 36.381 90.685 143.385 0.50 20.35 ? ? ? ? ? ? 52 GLU H CA 1 +ATOM 14298 C CA B GLU H 1 53 ? 36.360 90.644 143.364 0.50 20.20 ? ? ? ? ? ? 52 GLU H CA 1 +ATOM 14299 C C . GLU H 1 53 ? 37.607 89.872 142.919 1.00 21.69 ? ? ? ? ? ? 52 GLU H C 1 +ATOM 14300 O O . GLU H 1 53 ? 38.514 89.623 143.701 1.00 22.08 ? ? ? ? ? ? 52 GLU H O 1 +ATOM 14301 C CB A GLU H 1 53 ? 35.222 89.772 143.760 0.50 21.17 ? ? ? ? ? ? 52 GLU H CB 1 +ATOM 14302 C CB B GLU H 1 53 ? 35.231 89.650 143.593 0.50 21.09 ? ? ? ? ? ? 52 GLU H CB 1 +ATOM 14303 C CG A GLU H 1 53 ? 35.252 89.319 145.225 0.50 22.82 ? ? ? ? ? ? 52 GLU H CG 1 +ATOM 14304 C CG B GLU H 1 53 ? 34.022 90.186 144.351 0.50 18.54 ? ? ? ? ? ? 52 GLU H CG 1 +ATOM 14305 C CD A GLU H 1 53 ? 34.302 88.181 145.514 0.50 19.01 ? ? ? ? ? ? 52 GLU H CD 1 +ATOM 14306 C CD B GLU H 1 53 ? 33.349 89.125 145.227 0.50 22.30 ? ? ? ? ? ? 52 GLU H CD 1 +ATOM 14307 O OE1 A GLU H 1 53 ? 34.719 87.246 146.225 0.50 22.13 ? ? ? ? ? ? 52 GLU H OE1 1 +ATOM 14308 O OE1 B GLU H 1 53 ? 33.098 89.415 146.420 0.50 24.42 ? ? ? ? ? ? 52 GLU H OE1 1 +ATOM 14309 O OE2 A GLU H 1 53 ? 33.145 88.209 145.032 0.50 24.36 ? ? ? ? ? ? 52 GLU H OE2 1 +ATOM 14310 O OE2 B GLU H 1 53 ? 33.078 88.006 144.727 0.50 20.84 ? ? ? ? ? ? 52 GLU H OE2 1 +ATOM 14311 N N . ALA H 1 54 ? 37.639 89.478 141.643 1.00 20.61 ? ? ? ? ? ? 53 ALA H N 1 +ATOM 14312 C CA . ALA H 1 54 ? 38.754 88.724 141.104 1.00 18.95 ? ? ? ? ? ? 53 ALA H CA 1 +ATOM 14313 C C . ALA H 1 54 ? 40.003 89.603 141.043 1.00 20.08 ? ? ? ? ? ? 53 ALA H C 1 +ATOM 14314 O O . ALA H 1 54 ? 41.099 89.138 141.342 1.00 20.19 ? ? ? ? ? ? 53 ALA H O 1 +ATOM 14315 C CB . ALA H 1 54 ? 38.387 88.155 139.759 1.00 16.67 ? ? ? ? ? ? 53 ALA H CB 1 +ATOM 14316 N N . ALA H 1 55 ? 39.830 90.878 140.696 1.00 20.01 ? ? ? ? ? ? 54 ALA H N 1 +ATOM 14317 C CA . ALA H 1 55 ? 40.933 91.878 140.710 1.00 21.03 ? ? ? ? ? ? 54 ALA H CA 1 +ATOM 14318 C C . ALA H 1 55 ? 41.492 92.126 142.126 1.00 20.71 ? ? ? ? ? ? 54 ALA H C 1 +ATOM 14319 O O . ALA H 1 55 ? 42.702 92.233 142.317 1.00 21.62 ? ? ? ? ? ? 54 ALA H O 1 +ATOM 14320 C CB . ALA H 1 55 ? 40.454 93.205 140.083 1.00 18.74 ? ? ? ? ? ? 54 ALA H CB 1 +ATOM 14321 N N . GLU H 1 56 ? 40.596 92.213 143.107 1.00 22.46 ? ? ? ? ? ? 55 GLU H N 1 +ATOM 14322 C CA . GLU H 1 56 ? 40.952 92.303 144.535 1.00 23.92 ? ? ? ? ? ? 55 GLU H CA 1 +ATOM 14323 C C . GLU H 1 56 ? 41.687 91.068 145.037 1.00 23.73 ? ? ? ? ? ? 55 GLU H C 1 +ATOM 14324 O O . GLU H 1 56 ? 42.655 91.196 145.806 1.00 23.52 ? ? ? ? ? ? 55 GLU H O 1 +ATOM 14325 C CB . GLU H 1 56 ? 39.700 92.560 145.385 1.00 23.82 ? ? ? ? ? ? 55 GLU H CB 1 +ATOM 14326 C CG . GLU H 1 56 ? 39.115 93.941 145.195 1.00 25.84 ? ? ? ? ? ? 55 GLU H CG 1 +ATOM 14327 C CD . GLU H 1 56 ? 37.815 94.188 145.963 1.00 27.35 ? ? ? ? ? ? 55 GLU H CD 1 +ATOM 14328 O OE1 . GLU H 1 56 ? 37.078 93.229 146.248 1.00 34.87 ? ? ? ? ? ? 55 GLU H OE1 1 +ATOM 14329 O OE2 . GLU H 1 56 ? 37.535 95.359 146.286 1.00 32.72 ? ? ? ? ? ? 55 GLU H OE2 1 +ATOM 14330 N N . LEU H 1 57 ? 41.259 89.888 144.589 1.00 22.99 ? ? ? ? ? ? 56 LEU H N 1 +ATOM 14331 C CA . LEU H 1 57 ? 41.928 88.646 144.930 1.00 23.25 ? ? ? ? ? ? 56 LEU H CA 1 +ATOM 14332 C C . LEU H 1 57 ? 43.319 88.527 144.325 1.00 24.38 ? ? ? ? ? ? 56 LEU H C 1 +ATOM 14333 O O . LEU H 1 57 ? 44.231 88.052 144.988 1.00 25.71 ? ? ? ? ? ? 56 LEU H O 1 +ATOM 14334 C CB . LEU H 1 57 ? 41.084 87.419 144.535 1.00 23.35 ? ? ? ? ? ? 56 LEU H CB 1 +ATOM 14335 C CG . LEU H 1 57 ? 41.664 86.037 144.861 1.00 24.31 ? ? ? ? ? ? 56 LEU H CG 1 +ATOM 14336 C CD1 . LEU H 1 57 ? 41.916 85.899 146.372 1.00 23.52 ? ? ? ? ? ? 56 LEU H CD1 1 +ATOM 14337 C CD2 . LEU H 1 57 ? 40.750 84.911 144.368 1.00 18.96 ? ? ? ? ? ? 56 LEU H CD2 1 +ATOM 14338 N N . ALA H 1 58 ? 43.481 88.922 143.069 1.00 24.05 ? ? ? ? ? ? 57 ALA H N 1 +ATOM 14339 C CA . ALA H 1 58 ? 44.788 88.853 142.378 1.00 23.91 ? ? ? ? ? ? 57 ALA H CA 1 +ATOM 14340 C C . ALA H 1 58 ? 45.821 89.776 143.013 1.00 24.58 ? ? ? ? ? ? 57 ALA H C 1 +ATOM 14341 O O . ALA H 1 58 ? 47.014 89.463 143.065 1.00 25.84 ? ? ? ? ? ? 57 ALA H O 1 +ATOM 14342 C CB . ALA H 1 58 ? 44.633 89.198 140.882 1.00 20.19 ? ? ? ? ? ? 57 ALA H CB 1 +ATOM 14343 N N . LEU H 1 59 ? 45.369 90.936 143.457 1.00 24.57 ? ? ? ? ? ? 58 LEU H N 1 +ATOM 14344 C CA . LEU H 1 59 ? 46.229 91.888 144.108 1.00 25.60 ? ? ? ? ? ? 58 LEU H CA 1 +ATOM 14345 C C . LEU H 1 59 ? 46.610 91.388 145.495 1.00 26.70 ? ? ? ? ? ? 58 LEU H C 1 +ATOM 14346 O O . LEU H 1 59 ? 47.780 91.274 145.799 1.00 26.80 ? ? ? ? ? ? 58 LEU H O 1 +ATOM 14347 C CB . LEU H 1 59 ? 45.538 93.239 144.202 1.00 24.84 ? ? ? ? ? ? 58 LEU H CB 1 +ATOM 14348 C CG . LEU H 1 59 ? 46.294 94.367 144.874 1.00 26.89 ? ? ? ? ? ? 58 LEU H CG 1 +ATOM 14349 C CD1 . LEU H 1 59 ? 47.482 94.748 144.042 1.00 20.68 ? ? ? ? ? ? 58 LEU H CD1 1 +ATOM 14350 C CD2 . LEU H 1 59 ? 45.304 95.556 145.127 1.00 25.28 ? ? ? ? ? ? 58 LEU H CD2 1 +ATOM 14351 N N . SER H 1 60 ? 45.620 91.088 146.331 1.00 27.70 ? ? ? ? ? ? 59 SER H N 1 +ATOM 14352 C CA . SER H 1 60 ? 45.881 90.634 147.708 1.00 31.16 ? ? ? ? ? ? 59 SER H CA 1 +ATOM 14353 C C . SER H 1 60 ? 46.789 89.394 147.810 1.00 31.58 ? ? ? ? ? ? 59 SER H C 1 +ATOM 14354 O O . SER H 1 60 ? 47.619 89.309 148.696 1.00 33.68 ? ? ? ? ? ? 59 SER H O 1 +ATOM 14355 C CB . SER H 1 60 ? 44.566 90.388 148.479 1.00 29.86 ? ? ? ? ? ? 59 SER H CB 1 +ATOM 14356 O OG . SER H 1 60 ? 43.970 89.141 148.167 1.00 34.24 ? ? ? ? ? ? 59 SER H OG 1 +ATOM 14357 N N . ARG H 1 61 ? 46.649 88.458 146.891 1.00 31.50 ? ? ? ? ? ? 60 ARG H N 1 +ATOM 14358 C CA . ARG H 1 61 ? 47.421 87.209 146.965 1.00 32.22 ? ? ? ? ? ? 60 ARG H CA 1 +ATOM 14359 C C . ARG H 1 61 ? 48.677 87.166 146.105 1.00 31.46 ? ? ? ? ? ? 60 ARG H C 1 +ATOM 14360 O O . ARG H 1 61 ? 49.614 86.446 146.440 1.00 32.32 ? ? ? ? ? ? 60 ARG H O 1 +ATOM 14361 C CB . ARG H 1 61 ? 46.516 85.988 146.735 1.00 32.72 ? ? ? ? ? ? 60 ARG H CB 1 +ATOM 14362 C CG . ARG H 1 61 ? 46.413 85.484 145.356 1.00 33.01 ? ? ? ? ? ? 60 ARG H CG 1 +ATOM 14363 C CD . ARG H 1 61 ? 45.518 84.259 145.307 1.00 35.26 ? ? ? ? ? ? 60 ARG H CD 1 +ATOM 14364 N NE . ARG H 1 61 ? 45.239 83.888 143.927 1.00 34.74 ? ? ? ? ? ? 60 ARG H NE 1 +ATOM 14365 C CZ . ARG H 1 61 ? 44.349 82.983 143.541 1.00 33.82 ? ? ? ? ? ? 60 ARG H CZ 1 +ATOM 14366 N NH1 . ARG H 1 61 ? 43.666 82.290 144.428 1.00 36.18 ? ? ? ? ? ? 60 ARG H NH1 1 +ATOM 14367 N NH2 . ARG H 1 61 ? 44.186 82.732 142.251 1.00 36.25 ? ? ? ? ? ? 60 ARG H NH2 1 +ATOM 14368 N N . SER H 1 62 ? 48.726 87.962 145.034 1.00 30.77 ? ? ? ? ? ? 61 SER H N 1 +ATOM 14369 C CA . SER H 1 62 ? 49.892 87.928 144.128 1.00 28.47 ? ? ? ? ? ? 61 SER H CA 1 +ATOM 14370 C C . SER H 1 62 ? 50.519 89.267 143.777 1.00 28.98 ? ? ? ? ? ? 61 SER H C 1 +ATOM 14371 O O . SER H 1 62 ? 51.534 89.291 143.082 1.00 28.77 ? ? ? ? ? ? 61 SER H O 1 +ATOM 14372 C CB . SER H 1 62 ? 49.524 87.230 142.850 1.00 29.25 ? ? ? ? ? ? 61 SER H CB 1 +ATOM 14373 O OG . SER H 1 62 ? 48.930 85.985 143.113 1.00 35.36 ? ? ? ? ? ? 61 SER H OG 1 +ATOM 14374 N N . GLY H 1 63 ? 49.939 90.365 144.251 1.00 27.78 ? ? ? ? ? ? 62 GLY H N 1 +ATOM 14375 C CA . GLY H 1 63 ? 50.457 91.685 143.955 1.00 28.24 ? ? ? ? ? ? 62 GLY H CA 1 +ATOM 14376 C C . GLY H 1 63 ? 50.283 92.119 142.511 1.00 28.07 ? ? ? ? ? ? 62 GLY H C 1 +ATOM 14377 O O . GLY H 1 63 ? 50.914 93.072 142.075 1.00 29.51 ? ? ? ? ? ? 62 GLY H O 1 +ATOM 14378 N N . VAL H 1 64 ? 49.428 91.410 141.779 1.00 27.26 ? ? ? ? ? ? 63 VAL H N 1 +ATOM 14379 C CA . VAL H 1 64 ? 49.085 91.745 140.416 1.00 25.61 ? ? ? ? ? ? 63 VAL H CA 1 +ATOM 14380 C C . VAL H 1 64 ? 47.878 92.692 140.438 1.00 24.81 ? ? ? ? ? ? 63 VAL H C 1 +ATOM 14381 O O . VAL H 1 64 ? 46.845 92.381 141.020 1.00 24.14 ? ? ? ? ? ? 63 VAL H O 1 +ATOM 14382 C CB . VAL H 1 64 ? 48.816 90.467 139.592 1.00 24.19 ? ? ? ? ? ? 63 VAL H CB 1 +ATOM 14383 C CG1 . VAL H 1 64 ? 48.261 90.804 138.241 1.00 21.29 ? ? ? ? ? ? 63 VAL H CG1 1 +ATOM 14384 C CG2 . VAL H 1 64 ? 50.113 89.641 139.461 1.00 22.43 ? ? ? ? ? ? 63 VAL H CG2 1 +ATOM 14385 N N . ARG H 1 65 ? 48.030 93.851 139.808 1.00 23.97 ? ? ? ? ? ? 64 ARG H N 1 +ATOM 14386 C CA . ARG H 1 65 ? 47.031 94.893 139.844 1.00 23.75 ? ? ? ? ? ? 64 ARG H CA 1 +ATOM 14387 C C . ARG H 1 65 ? 46.338 95.082 138.505 1.00 23.04 ? ? ? ? ? ? 64 ARG H C 1 +ATOM 14388 O O . ARG H 1 65 ? 46.978 95.413 137.495 1.00 22.00 ? ? ? ? ? ? 64 ARG H O 1 +ATOM 14389 C CB . ARG H 1 65 ? 47.641 96.229 140.295 1.00 23.84 ? ? ? ? ? ? 64 ARG H CB 1 +ATOM 14390 C CG . ARG H 1 65 ? 46.540 97.285 140.598 1.00 24.39 ? ? ? ? ? ? 64 ARG H CG 1 +ATOM 14391 C CD . ARG H 1 65 ? 47.146 98.627 140.930 1.00 27.59 ? ? ? ? ? ? 64 ARG H CD 1 +ATOM 14392 N NE . ARG H 1 65 ? 47.702 98.612 142.282 1.00 25.87 ? ? ? ? ? ? 64 ARG H NE 1 +ATOM 14393 C CZ . ARG H 1 65 ? 48.995 98.563 142.585 1.00 29.32 ? ? ? ? ? ? 64 ARG H CZ 1 +ATOM 14394 N NH1 . ARG H 1 65 ? 49.938 98.498 141.645 1.00 28.05 ? ? ? ? ? ? 64 ARG H NH1 1 +ATOM 14395 N NH2 . ARG H 1 65 ? 49.345 98.567 143.863 1.00 30.23 ? ? ? ? ? ? 64 ARG H NH2 1 +ATOM 14396 N N . CYS H 1 66 ? 45.007 94.925 138.538 1.00 22.69 ? ? ? ? ? ? 65 CYS H N 1 +ATOM 14397 C CA . CYS H 1 66 ? 44.175 94.995 137.351 1.00 23.06 ? ? ? ? ? ? 65 CYS H CA 1 +ATOM 14398 C C . CYS H 1 66 ? 43.167 96.132 137.491 1.00 23.04 ? ? ? ? ? ? 65 CYS H C 1 +ATOM 14399 O O . CYS H 1 66 ? 42.764 96.457 138.599 1.00 23.99 ? ? ? ? ? ? 65 CYS H O 1 +ATOM 14400 C CB . CYS H 1 66 ? 43.429 93.679 137.187 1.00 25.32 ? ? ? ? ? ? 65 CYS H CB 1 +ATOM 14401 S SG . CYS H 1 66 ? 44.519 92.248 137.043 1.00 26.71 ? ? ? ? ? ? 65 CYS H SG 1 +ATOM 14402 N N . MSE H 1 67 ? 42.772 96.738 136.373 1.00 20.66 ? ? ? ? ? ? 66 MSE H N 1 +ATOM 14403 C CA . MSE H 1 67 ? 41.766 97.773 136.387 1.00 19.19 ? ? ? ? ? ? 66 MSE H CA 1 +ATOM 14404 C C . MSE H 1 67 ? 40.570 97.210 135.725 1.00 18.10 ? ? ? ? ? ? 66 MSE H C 1 +ATOM 14405 O O . MSE H 1 67 ? 40.679 96.735 134.618 1.00 17.79 ? ? ? ? ? ? 66 MSE H O 1 +ATOM 14406 C CB . MSE H 1 67 ? 42.235 99.040 135.646 1.00 18.82 ? ? ? ? ? ? 66 MSE H CB 1 +ATOM 14407 C CG . MSE H 1 67 ? 41.226 100.164 135.643 1.00 20.63 ? ? ? ? ? ? 66 MSE H CG 1 +ATOM 14408 SE SE . MSE H 1 67 ? 40.547 100.664 137.431 0.75 19.89 ? ? ? ? ? ? 66 MSE H SE 1 +ATOM 14409 C CE . MSE H 1 67 ? 41.953 101.901 137.923 1.00 17.94 ? ? ? ? ? ? 66 MSE H CE 1 +ATOM 14410 N N . VAL H 1 68 ? 39.430 97.262 136.414 1.00 18.83 ? ? ? ? ? ? 67 VAL H N 1 +ATOM 14411 C CA . VAL H 1 68 ? 38.125 96.942 135.842 1.00 17.37 ? ? ? ? ? ? 67 VAL H CA 1 +ATOM 14412 C C . VAL H 1 68 ? 37.461 98.202 135.276 1.00 19.06 ? ? ? ? ? ? 67 VAL H C 1 +ATOM 14413 O O . VAL H 1 68 ? 37.067 99.126 136.003 1.00 18.90 ? ? ? ? ? ? 67 VAL H O 1 +ATOM 14414 C CB . VAL H 1 68 ? 37.174 96.252 136.857 1.00 16.39 ? ? ? ? ? ? 67 VAL H CB 1 +ATOM 14415 C CG1 . VAL H 1 68 ? 35.830 95.872 136.202 1.00 15.07 ? ? ? ? ? ? 67 VAL H CG1 1 +ATOM 14416 C CG2 . VAL H 1 68 ? 37.813 95.036 137.475 1.00 14.01 ? ? ? ? ? ? 67 VAL H CG2 1 +ATOM 14417 N N . MSE H 1 69 ? 37.301 98.218 133.951 1.00 18.69 ? ? ? ? ? ? 68 MSE H N 1 +ATOM 14418 C CA . MSE H 1 69 ? 36.675 99.330 133.250 1.00 17.94 ? ? ? ? ? ? 68 MSE H CA 1 +ATOM 14419 C C . MSE H 1 69 ? 35.156 99.368 133.468 1.00 19.13 ? ? ? ? ? ? 68 MSE H C 1 +ATOM 14420 O O . MSE H 1 69 ? 34.554 98.408 134.009 1.00 19.33 ? ? ? ? ? ? 68 MSE H O 1 +ATOM 14421 C CB . MSE H 1 69 ? 36.981 99.226 131.748 1.00 18.27 ? ? ? ? ? ? 68 MSE H CB 1 +ATOM 14422 C CG . MSE H 1 69 ? 38.467 99.185 131.355 1.00 17.56 ? ? ? ? ? ? 68 MSE H CG 1 +ATOM 14423 SE SE . MSE H 1 69 ? 39.390 100.868 131.723 0.75 18.03 ? ? ? ? ? ? 68 MSE H SE 1 +ATOM 14424 C CE . MSE H 1 69 ? 38.659 101.860 130.252 1.00 18.13 ? ? ? ? ? ? 68 MSE H CE 1 +ATOM 14425 N N . PRO H 1 70 ? 34.519 100.489 133.087 1.00 19.44 ? ? ? ? ? ? 69 PRO H N 1 +ATOM 14426 C CA . PRO H 1 70 ? 33.076 100.565 133.140 1.00 21.22 ? ? ? ? ? ? 69 PRO H CA 1 +ATOM 14427 C C . PRO H 1 70 ? 32.434 99.538 132.200 1.00 21.89 ? ? ? ? ? ? 69 PRO H C 1 +ATOM 14428 O O . PRO H 1 70 ? 32.925 99.314 131.080 1.00 21.11 ? ? ? ? ? ? 69 PRO H O 1 +ATOM 14429 C CB . PRO H 1 70 ? 32.787 102.006 132.671 1.00 20.49 ? ? ? ? ? ? 69 PRO H CB 1 +ATOM 14430 C CG . PRO H 1 70 ? 33.950 102.742 132.959 1.00 19.36 ? ? ? ? ? ? 69 PRO H CG 1 +ATOM 14431 C CD . PRO H 1 70 ? 35.089 101.776 132.668 1.00 19.38 ? ? ? ? ? ? 69 PRO H CD 1 +ATOM 14432 N N . PRO H 1 71 ? 31.381 98.878 132.660 1.00 22.22 ? ? ? ? ? ? 70 PRO H N 1 +ATOM 14433 C CA . PRO H 1 71 ? 30.726 97.896 131.778 1.00 22.02 ? ? ? ? ? ? 70 PRO H CA 1 +ATOM 14434 C C . PRO H 1 71 ? 30.143 98.499 130.494 1.00 21.50 ? ? ? ? ? ? 70 PRO H C 1 +ATOM 14435 O O . PRO H 1 71 ? 29.671 99.643 130.486 1.00 22.58 ? ? ? ? ? ? 70 PRO H O 1 +ATOM 14436 C CB . PRO H 1 71 ? 29.627 97.276 132.653 1.00 22.07 ? ? ? ? ? ? 70 PRO H CB 1 +ATOM 14437 C CG . PRO H 1 71 ? 29.704 97.916 133.962 1.00 21.10 ? ? ? ? ? ? 70 PRO H CG 1 +ATOM 14438 C CD . PRO H 1 71 ? 30.784 98.944 134.001 1.00 21.69 ? ? ? ? ? ? 70 PRO H CD 1 +ATOM 14439 N N . VAL H 1 72 ? 30.214 97.744 129.401 1.00 20.89 ? ? ? ? ? ? 71 VAL H N 1 +ATOM 14440 C CA . VAL H 1 72 ? 29.619 98.166 128.137 1.00 17.91 ? ? ? ? ? ? 71 VAL H CA 1 +ATOM 14441 C C . VAL H 1 72 ? 28.161 97.661 128.096 1.00 17.28 ? ? ? ? ? ? 71 VAL H C 1 +ATOM 14442 O O . VAL H 1 72 ? 27.906 96.448 128.115 1.00 17.48 ? ? ? ? ? ? 71 VAL H O 1 +ATOM 14443 C CB . VAL H 1 72 ? 30.405 97.620 126.959 1.00 18.75 ? ? ? ? ? ? 71 VAL H CB 1 +ATOM 14444 C CG1 . VAL H 1 72 ? 29.910 98.248 125.641 1.00 10.27 ? ? ? ? ? ? 71 VAL H CG1 1 +ATOM 14445 C CG2 . VAL H 1 72 ? 31.923 97.877 127.152 1.00 14.59 ? ? ? ? ? ? 71 VAL H CG2 1 +ATOM 14446 N N . PRO H 1 73 ? 27.179 98.582 128.056 1.00 17.05 ? ? ? ? ? ? 72 PRO H N 1 +ATOM 14447 C CA . PRO H 1 73 ? 25.787 98.132 128.132 1.00 17.69 ? ? ? ? ? ? 72 PRO H CA 1 +ATOM 14448 C C . PRO H 1 73 ? 25.148 97.693 126.816 1.00 18.06 ? ? ? ? ? ? 72 PRO H C 1 +ATOM 14449 O O . PRO H 1 73 ? 23.933 97.684 126.710 1.00 21.71 ? ? ? ? ? ? 72 PRO H O 1 +ATOM 14450 C CB . PRO H 1 73 ? 25.087 99.385 128.682 1.00 20.43 ? ? ? ? ? ? 72 PRO H CB 1 +ATOM 14451 C CG . PRO H 1 73 ? 25.872 100.539 128.080 1.00 20.83 ? ? ? ? ? ? 72 PRO H CG 1 +ATOM 14452 C CD . PRO H 1 73 ? 27.294 100.059 128.066 1.00 15.65 ? ? ? ? ? ? 72 PRO H CD 1 +ATOM 14453 N N . PHE H 1 74 ? 25.952 97.348 125.813 1.00 17.81 ? ? ? ? ? ? 73 PHE H N 1 +ATOM 14454 C CA . PHE H 1 74 ? 25.489 97.261 124.420 1.00 16.96 ? ? ? ? ? ? 73 PHE H CA 1 +ATOM 14455 C C . PHE H 1 74 ? 25.726 95.854 123.907 1.00 17.52 ? ? ? ? ? ? 73 PHE H C 1 +ATOM 14456 O O . PHE H 1 74 ? 26.846 95.528 123.473 1.00 17.65 ? ? ? ? ? ? 73 PHE H O 1 +ATOM 14457 C CB . PHE H 1 74 ? 26.230 98.261 123.559 1.00 18.21 ? ? ? ? ? ? 73 PHE H CB 1 +ATOM 14458 C CG . PHE H 1 74 ? 25.947 99.684 123.914 1.00 18.18 ? ? ? ? ? ? 73 PHE H CG 1 +ATOM 14459 C CD1 . PHE H 1 74 ? 24.677 100.201 123.787 1.00 23.21 ? ? ? ? ? ? 73 PHE H CD1 1 +ATOM 14460 C CD2 . PHE H 1 74 ? 26.946 100.510 124.388 1.00 19.34 ? ? ? ? ? ? 73 PHE H CD2 1 +ATOM 14461 C CE1 . PHE H 1 74 ? 24.405 101.507 124.133 1.00 22.17 ? ? ? ? ? ? 73 PHE H CE1 1 +ATOM 14462 C CE2 . PHE H 1 74 ? 26.679 101.806 124.714 1.00 17.41 ? ? ? ? ? ? 73 PHE H CE2 1 +ATOM 14463 C CZ . PHE H 1 74 ? 25.393 102.307 124.588 1.00 18.26 ? ? ? ? ? ? 73 PHE H CZ 1 +ATOM 14464 N N . GLY H 1 75 ? 24.668 95.038 124.007 1.00 17.79 ? ? ? ? ? ? 74 GLY H N 1 +ATOM 14465 C CA . GLY H 1 75 ? 24.681 93.613 123.650 1.00 17.70 ? ? ? ? ? ? 74 GLY H CA 1 +ATOM 14466 C C . GLY H 1 75 ? 23.951 93.294 122.353 1.00 17.04 ? ? ? ? ? ? 74 GLY H C 1 +ATOM 14467 O O . GLY H 1 75 ? 23.209 94.122 121.823 1.00 16.06 ? ? ? ? ? ? 74 GLY H O 1 +ATOM 14468 N N . ALA H 1 76 ? 24.203 92.085 121.848 1.00 16.86 ? ? ? ? ? ? 75 ALA H N 1 +ATOM 14469 C CA . ALA H 1 76 ? 23.586 91.591 120.625 1.00 16.96 ? ? ? ? ? ? 75 ALA H CA 1 +ATOM 14470 C C . ALA H 1 76 ? 22.421 90.739 121.019 1.00 18.35 ? ? ? ? ? ? 75 ALA H C 1 +ATOM 14471 O O . ALA H 1 76 ? 22.584 89.811 121.823 1.00 20.31 ? ? ? ? ? ? 75 ALA H O 1 +ATOM 14472 C CB . ALA H 1 76 ? 24.581 90.777 119.799 1.00 14.97 ? ? ? ? ? ? 75 ALA H CB 1 +ATOM 14473 N N . HIS H 1 77 ? 21.249 91.018 120.442 1.00 19.40 ? ? ? ? ? ? 76 HIS H N 1 +ATOM 14474 C CA . HIS H 1 77 ? 20.032 90.339 120.847 1.00 19.42 ? ? ? ? ? ? 76 HIS H CA 1 +ATOM 14475 C C . HIS H 1 77 ? 19.322 89.591 119.720 1.00 20.87 ? ? ? ? ? ? 76 HIS H C 1 +ATOM 14476 O O . HIS H 1 77 ? 19.754 89.610 118.552 1.00 20.16 ? ? ? ? ? ? 76 HIS H O 1 +ATOM 14477 C CB . HIS H 1 77 ? 19.106 91.332 121.565 1.00 18.74 ? ? ? ? ? ? 76 HIS H CB 1 +ATOM 14478 C CG . HIS H 1 77 ? 19.722 91.866 122.811 1.00 16.94 ? ? ? ? ? ? 76 HIS H CG 1 +ATOM 14479 N ND1 . HIS H 1 77 ? 19.901 91.091 123.936 1.00 22.18 ? ? ? ? ? ? 76 HIS H ND1 1 +ATOM 14480 C CD2 . HIS H 1 77 ? 20.290 93.058 123.082 1.00 22.88 ? ? ? ? ? ? 76 HIS H CD2 1 +ATOM 14481 C CE1 . HIS H 1 77 ? 20.520 91.797 124.854 1.00 21.09 ? ? ? ? ? ? 76 HIS H CE1 1 +ATOM 14482 N NE2 . HIS H 1 77 ? 20.789 92.985 124.355 1.00 18.85 ? ? ? ? ? ? 76 HIS H NE2 1 +ATOM 14483 N N . ASN H 1 78 ? 18.255 88.907 120.129 1.00 20.26 ? ? ? ? ? ? 77 ASN H N 1 +ATOM 14484 C CA . ASN H 1 78 ? 17.588 87.916 119.326 1.00 20.79 ? ? ? ? ? ? 77 ASN H CA 1 +ATOM 14485 C C . ASN H 1 78 ? 16.289 88.445 118.812 1.00 21.84 ? ? ? ? ? ? 77 ASN H C 1 +ATOM 14486 O O . ASN H 1 78 ? 15.780 89.447 119.328 1.00 22.43 ? ? ? ? ? ? 77 ASN H O 1 +ATOM 14487 C CB . ASN H 1 78 ? 17.300 86.669 120.144 1.00 18.83 ? ? ? ? ? ? 77 ASN H CB 1 +ATOM 14488 C CG . ASN H 1 78 ? 18.508 85.776 120.334 1.00 20.85 ? ? ? ? ? ? 77 ASN H CG 1 +ATOM 14489 O OD1 . ASN H 1 78 ? 19.623 86.257 120.475 1.00 25.92 ? ? ? ? ? ? 77 ASN H OD1 1 +ATOM 14490 N ND2 . ASN H 1 78 ? 18.268 84.461 120.437 1.00 18.73 ? ? ? ? ? ? 77 ASN H ND2 1 +ATOM 14491 N N . PRO H 1 79 ? 15.743 87.777 117.788 1.00 22.91 ? ? ? ? ? ? 78 PRO H N 1 +ATOM 14492 C CA . PRO H 1 79 ? 14.420 88.116 117.323 1.00 23.22 ? ? ? ? ? ? 78 PRO H CA 1 +ATOM 14493 C C . PRO H 1 79 ? 13.426 88.091 118.469 1.00 23.08 ? ? ? ? ? ? 78 PRO H C 1 +ATOM 14494 O O . PRO H 1 79 ? 13.532 87.223 119.333 1.00 22.75 ? ? ? ? ? ? 78 PRO H O 1 +ATOM 14495 C CB . PRO H 1 79 ? 14.108 86.983 116.341 1.00 24.07 ? ? ? ? ? ? 78 PRO H CB 1 +ATOM 14496 C CG . PRO H 1 79 ? 15.465 86.530 115.845 1.00 22.38 ? ? ? ? ? ? 78 PRO H CG 1 +ATOM 14497 C CD . PRO H 1 79 ? 16.322 86.636 117.033 1.00 22.70 ? ? ? ? ? ? 78 PRO H CD 1 +ATOM 14498 N N . GLY H 1 80 ? 12.495 89.053 118.474 1.00 22.51 ? ? ? ? ? ? 79 GLY H N 1 +ATOM 14499 C CA . GLY H 1 80 ? 11.512 89.199 119.558 1.00 23.53 ? ? ? ? ? ? 79 GLY H CA 1 +ATOM 14500 C C . GLY H 1 80 ? 11.974 89.982 120.778 1.00 23.84 ? ? ? ? ? ? 79 GLY H C 1 +ATOM 14501 O O . GLY H 1 80 ? 11.166 90.417 121.570 1.00 25.71 ? ? ? ? ? ? 79 GLY H O 1 +ATOM 14502 N N . GLN H 1 81 ? 13.273 90.158 120.950 1.00 23.38 ? ? ? ? ? ? 80 GLN H N 1 +ATOM 14503 C CA . GLN H 1 81 ? 13.766 90.875 122.124 1.00 23.71 ? ? ? ? ? ? 80 GLN H CA 1 +ATOM 14504 C C . GLN H 1 81 ? 13.723 92.398 121.927 1.00 24.50 ? ? ? ? ? ? 80 GLN H C 1 +ATOM 14505 O O . GLN H 1 81 ? 13.436 93.161 122.861 1.00 24.68 ? ? ? ? ? ? 80 GLN H O 1 +ATOM 14506 C CB . GLN H 1 81 ? 15.192 90.465 122.439 1.00 23.68 ? ? ? ? ? ? 80 GLN H CB 1 +ATOM 14507 C CG . GLN H 1 81 ? 15.382 89.085 123.012 1.00 21.99 ? ? ? ? ? ? 80 GLN H CG 1 +ATOM 14508 C CD . GLN H 1 81 ? 16.699 88.983 123.775 1.00 26.86 ? ? ? ? ? ? 80 GLN H CD 1 +ATOM 14509 O OE1 . GLN H 1 81 ? 17.781 88.837 123.181 1.00 29.68 ? ? ? ? ? ? 80 GLN H OE1 1 +ATOM 14510 N NE2 . GLN H 1 81 ? 16.621 89.100 125.095 1.00 24.65 ? ? ? ? ? ? 80 GLN H NE2 1 +ATOM 14511 N N . ARG H 1 82 ? 14.030 92.832 120.715 1.00 24.26 ? ? ? ? ? ? 81 ARG H N 1 +ATOM 14512 C CA . ARG H 1 82 ? 14.107 94.234 120.394 1.00 26.32 ? ? ? ? ? ? 81 ARG H CA 1 +ATOM 14513 C C . ARG H 1 82 ? 12.801 94.970 120.611 1.00 26.34 ? ? ? ? ? ? 81 ARG H C 1 +ATOM 14514 O O . ARG H 1 82 ? 12.800 96.172 120.843 1.00 27.23 ? ? ? ? ? ? 81 ARG H O 1 +ATOM 14515 C CB . ARG H 1 82 ? 14.546 94.398 118.930 1.00 27.99 ? ? ? ? ? ? 81 ARG H CB 1 +ATOM 14516 C CG . ARG H 1 82 ? 14.925 95.830 118.537 1.00 30.06 ? ? ? ? ? ? 81 ARG H CG 1 +ATOM 14517 C CD . ARG H 1 82 ? 15.540 95.879 117.143 1.00 28.11 ? ? ? ? ? ? 81 ARG H CD 1 +ATOM 14518 N NE . ARG H 1 82 ? 14.577 95.420 116.138 1.00 36.78 ? ? ? ? ? ? 81 ARG H NE 1 +ATOM 14519 C CZ . ARG H 1 82 ? 14.686 95.659 114.835 1.00 35.99 ? ? ? ? ? ? 81 ARG H CZ 1 +ATOM 14520 N NH1 . ARG H 1 82 ? 15.722 96.337 114.383 1.00 32.26 ? ? ? ? ? ? 81 ARG H NH1 1 +ATOM 14521 N NH2 . ARG H 1 82 ? 13.759 95.223 113.992 1.00 37.12 ? ? ? ? ? ? 81 ARG H NH2 1 +ATOM 14522 N N . GLU H 1 83 ? 11.685 94.256 120.516 1.00 26.87 ? ? ? ? ? ? 82 GLU H N 1 +ATOM 14523 C CA . GLU H 1 83 ? 10.382 94.862 120.719 1.00 29.72 ? ? ? ? ? ? 82 GLU H CA 1 +ATOM 14524 C C . GLU H 1 83 ? 9.976 94.971 122.197 1.00 27.06 ? ? ? ? ? ? 82 GLU H C 1 +ATOM 14525 O O . GLU H 1 83 ? 8.970 95.588 122.506 1.00 26.28 ? ? ? ? ? ? 82 GLU H O 1 +ATOM 14526 C CB . GLU H 1 83 ? 9.330 94.071 119.943 1.00 31.88 ? ? ? ? ? ? 82 GLU H CB 1 +ATOM 14527 C CG . GLU H 1 83 ? 8.918 92.736 120.588 1.00 38.65 ? ? ? ? ? ? 82 GLU H CG 1 +ATOM 14528 C CD . GLU H 1 83 ? 8.269 91.743 119.588 1.00 41.78 ? ? ? ? ? ? 82 GLU H CD 1 +ATOM 14529 O OE1 . GLU H 1 83 ? 8.920 91.418 118.545 1.00 54.46 ? ? ? ? ? ? 82 GLU H OE1 1 +ATOM 14530 O OE2 . GLU H 1 83 ? 7.125 91.289 119.877 1.00 51.13 ? ? ? ? ? ? 82 GLU H OE2 1 +ATOM 14531 N N . LEU H 1 84 ? 10.720 94.349 123.108 1.00 24.97 ? ? ? ? ? ? 83 LEU H N 1 +ATOM 14532 C CA . LEU H 1 84 ? 10.432 94.510 124.535 1.00 24.19 ? ? ? ? ? ? 83 LEU H CA 1 +ATOM 14533 C C . LEU H 1 84 ? 10.910 95.908 124.956 1.00 23.72 ? ? ? ? ? ? 83 LEU H C 1 +ATOM 14534 O O . LEU H 1 84 ? 12.000 96.330 124.545 1.00 21.68 ? ? ? ? ? ? 83 LEU H O 1 +ATOM 14535 C CB . LEU H 1 84 ? 11.138 93.429 125.362 1.00 25.13 ? ? ? ? ? ? 83 LEU H CB 1 +ATOM 14536 C CG . LEU H 1 84 ? 10.669 91.978 125.157 1.00 27.77 ? ? ? ? ? ? 83 LEU H CG 1 +ATOM 14537 C CD1 . LEU H 1 84 ? 11.616 90.977 125.826 1.00 24.77 ? ? ? ? ? ? 83 LEU H CD1 1 +ATOM 14538 C CD2 . LEU H 1 84 ? 9.257 91.822 125.703 1.00 27.45 ? ? ? ? ? ? 83 LEU H CD2 1 +ATOM 14539 N N . PRO H 1 85 ? 10.127 96.626 125.794 1.00 23.09 ? ? ? ? ? ? 84 PRO H N 1 +ATOM 14540 C CA . PRO H 1 85 ? 10.534 98.006 126.085 1.00 22.82 ? ? ? ? ? ? 84 PRO H CA 1 +ATOM 14541 C C . PRO H 1 85 ? 11.957 98.112 126.687 1.00 21.67 ? ? ? ? ? ? 84 PRO H C 1 +ATOM 14542 O O . PRO H 1 85 ? 12.292 97.397 127.612 1.00 21.12 ? ? ? ? ? ? 84 PRO H O 1 +ATOM 14543 C CB . PRO H 1 85 ? 9.476 98.494 127.091 1.00 23.68 ? ? ? ? ? ? 84 PRO H CB 1 +ATOM 14544 C CG . PRO H 1 85 ? 8.834 97.238 127.645 1.00 25.30 ? ? ? ? ? ? 84 PRO H CG 1 +ATOM 14545 C CD . PRO H 1 85 ? 8.938 96.214 126.559 1.00 25.22 ? ? ? ? ? ? 84 PRO H CD 1 +ATOM 14546 N N . PHE H 1 86 ? 12.769 99.009 126.115 1.00 21.66 ? ? ? ? ? ? 85 PHE H N 1 +ATOM 14547 C CA . PHE H 1 86 ? 14.086 99.401 126.625 1.00 20.76 ? ? ? ? ? ? 85 PHE H CA 1 +ATOM 14548 C C . PHE H 1 86 ? 15.175 98.385 126.361 1.00 20.93 ? ? ? ? ? ? 85 PHE H C 1 +ATOM 14549 O O . PHE H 1 86 ? 16.331 98.608 126.754 1.00 22.04 ? ? ? ? ? ? 85 PHE H O 1 +ATOM 14550 C CB . PHE H 1 86 ? 14.030 99.803 128.112 1.00 19.70 ? ? ? ? ? ? 85 PHE H CB 1 +ATOM 14551 C CG . PHE H 1 86 ? 12.901 100.734 128.416 1.00 22.00 ? ? ? ? ? ? 85 PHE H CG 1 +ATOM 14552 C CD1 . PHE H 1 86 ? 12.815 101.950 127.765 1.00 23.76 ? ? ? ? ? ? 85 PHE H CD1 1 +ATOM 14553 C CD2 . PHE H 1 86 ? 11.893 100.368 129.301 1.00 16.75 ? ? ? ? ? ? 85 PHE H CD2 1 +ATOM 14554 C CE1 . PHE H 1 86 ? 11.729 102.788 128.000 1.00 25.97 ? ? ? ? ? ? 85 PHE H CE1 1 +ATOM 14555 C CE2 . PHE H 1 86 ? 10.826 101.196 129.540 1.00 25.13 ? ? ? ? ? ? 85 PHE H CE2 1 +ATOM 14556 C CZ . PHE H 1 86 ? 10.730 102.401 128.895 1.00 21.16 ? ? ? ? ? ? 85 PHE H CZ 1 +ATOM 14557 N N . CYS H 1 87 ? 14.846 97.309 125.645 1.00 20.90 ? ? ? ? ? ? 86 CYS H N 1 +ATOM 14558 C CA . CYS H 1 87 ? 15.885 96.407 125.136 1.00 21.11 ? ? ? ? ? ? 86 CYS H CA 1 +ATOM 14559 C C . CYS H 1 87 ? 16.659 97.022 123.940 1.00 21.20 ? ? ? ? ? ? 86 CYS H C 1 +ATOM 14560 O O . CYS H 1 87 ? 16.072 97.383 122.918 1.00 22.60 ? ? ? ? ? ? 86 CYS H O 1 +ATOM 14561 C CB . CYS H 1 87 ? 15.243 95.085 124.731 1.00 22.06 ? ? ? ? ? ? 86 CYS H CB 1 +ATOM 14562 S SG . CYS H 1 87 ? 16.455 93.869 124.186 1.00 19.29 ? ? ? ? ? ? 86 CYS H SG 1 +ATOM 14563 N N . ILE H 1 88 ? 17.980 97.142 124.048 1.00 19.41 ? ? ? ? ? ? 87 ILE H N 1 +ATOM 14564 C CA . ILE H 1 88 ? 18.749 97.830 122.986 1.00 19.47 ? ? ? ? ? ? 87 ILE H CA 1 +ATOM 14565 C C . ILE H 1 88 ? 19.593 96.824 122.208 1.00 18.35 ? ? ? ? ? ? 87 ILE H C 1 +ATOM 14566 O O . ILE H 1 88 ? 20.573 96.374 122.718 1.00 18.52 ? ? ? ? ? ? 87 ILE H O 1 +ATOM 14567 C CB . ILE H 1 88 ? 19.641 98.967 123.548 1.00 19.63 ? ? ? ? ? ? 87 ILE H CB 1 +ATOM 14568 C CG1 . ILE H 1 88 ? 18.793 100.013 124.289 1.00 23.09 ? ? ? ? ? ? 87 ILE H CG1 1 +ATOM 14569 C CG2 . ILE H 1 88 ? 20.508 99.640 122.422 1.00 19.56 ? ? ? ? ? ? 87 ILE H CG2 1 +ATOM 14570 C CD1 . ILE H 1 88 ? 17.792 100.793 123.412 1.00 15.09 ? ? ? ? ? ? 87 ILE H CD1 1 +ATOM 14571 N N . HIS H 1 89 ? 19.185 96.466 120.989 1.00 18.23 ? ? ? ? ? ? 88 HIS H N 1 +ATOM 14572 C CA . HIS H 1 89 ? 19.989 95.558 120.145 1.00 18.23 ? ? ? ? ? ? 88 HIS H CA 1 +ATOM 14573 C C . HIS H 1 89 ? 21.135 96.317 119.504 1.00 17.20 ? ? ? ? ? ? 88 HIS H C 1 +ATOM 14574 O O . HIS H 1 89 ? 20.929 97.372 118.912 1.00 17.41 ? ? ? ? ? ? 88 HIS H O 1 +ATOM 14575 C CB . HIS H 1 89 ? 19.174 94.877 119.041 1.00 16.79 ? ? ? ? ? ? 88 HIS H CB 1 +ATOM 14576 C CG . HIS H 1 89 ? 20.028 94.191 118.023 1.00 18.13 ? ? ? ? ? ? 88 HIS H CG 1 +ATOM 14577 N ND1 . HIS H 1 89 ? 20.744 93.043 118.304 1.00 21.58 ? ? ? ? ? ? 88 HIS H ND1 1 +ATOM 14578 C CD2 . HIS H 1 89 ? 20.354 94.536 116.751 1.00 20.71 ? ? ? ? ? ? 88 HIS H CD2 1 +ATOM 14579 C CE1 . HIS H 1 89 ? 21.449 92.697 117.242 1.00 22.32 ? ? ? ? ? ? 88 HIS H CE1 1 +ATOM 14580 N NE2 . HIS H 1 89 ? 21.224 93.581 116.283 1.00 20.45 ? ? ? ? ? ? 88 HIS H NE2 1 +ATOM 14581 N N . THR H 1 90 ? 22.341 95.784 119.654 1.00 17.77 ? ? ? ? ? ? 89 THR H N 1 +ATOM 14582 C CA . THR H 1 90 ? 23.569 96.390 119.125 1.00 17.16 ? ? ? ? ? ? 89 THR H CA 1 +ATOM 14583 C C . THR H 1 90 ? 24.099 95.530 117.982 1.00 17.01 ? ? ? ? ? ? 89 THR H C 1 +ATOM 14584 O O . THR H 1 90 ? 24.373 94.335 118.177 1.00 17.09 ? ? ? ? ? ? 89 THR H O 1 +ATOM 14585 C CB . THR H 1 90 ? 24.697 96.482 120.211 1.00 16.39 ? ? ? ? ? ? 89 THR H CB 1 +ATOM 14586 O OG1 . THR H 1 90 ? 24.133 96.931 121.445 1.00 19.49 ? ? ? ? ? ? 89 THR H OG1 1 +ATOM 14587 C CG2 . THR H 1 90 ? 25.791 97.467 119.798 1.00 12.69 ? ? ? ? ? ? 89 THR H CG2 1 +ATOM 14588 N N . ARG H 1 91 ? 24.279 96.148 116.810 1.00 14.88 ? ? ? ? ? ? 90 ARG H N 1 +ATOM 14589 C CA . ARG H 1 91 ? 24.872 95.456 115.681 1.00 15.91 ? ? ? ? ? ? 90 ARG H CA 1 +ATOM 14590 C C . ARG H 1 91 ? 26.316 95.075 115.996 1.00 16.68 ? ? ? ? ? ? 90 ARG H C 1 +ATOM 14591 O O . ARG H 1 91 ? 27.009 95.766 116.732 1.00 16.14 ? ? ? ? ? ? 90 ARG H O 1 +ATOM 14592 C CB . ARG H 1 91 ? 24.849 96.317 114.416 1.00 17.75 ? ? ? ? ? ? 90 ARG H CB 1 +ATOM 14593 C CG . ARG H 1 91 ? 23.476 96.576 113.864 1.00 17.90 ? ? ? ? ? ? 90 ARG H CG 1 +ATOM 14594 C CD . ARG H 1 91 ? 23.562 97.549 112.754 1.00 20.79 ? ? ? ? ? ? 90 ARG H CD 1 +ATOM 14595 N NE . ARG H 1 91 ? 23.773 98.891 113.272 1.00 22.23 ? ? ? ? ? ? 90 ARG H NE 1 +ATOM 14596 C CZ . ARG H 1 91 ? 23.976 99.972 112.524 1.00 26.51 ? ? ? ? ? ? 90 ARG H CZ 1 +ATOM 14597 N NH1 . ARG H 1 91 ? 24.025 99.877 111.203 1.00 30.20 ? ? ? ? ? ? 90 ARG H NH1 1 +ATOM 14598 N NH2 . ARG H 1 91 ? 24.148 101.162 113.101 1.00 24.58 ? ? ? ? ? ? 90 ARG H NH2 1 +ATOM 14599 N N . TYR H 1 92 ? 26.764 93.970 115.402 1.00 17.77 ? ? ? ? ? ? 91 TYR H N 1 +ATOM 14600 C CA . TYR H 1 92 ? 28.138 93.523 115.539 1.00 17.20 ? ? ? ? ? ? 91 TYR H CA 1 +ATOM 14601 C C . TYR H 1 92 ? 29.117 94.647 115.150 1.00 15.60 ? ? ? ? ? ? 91 TYR H C 1 +ATOM 14602 O O . TYR H 1 92 ? 30.146 94.840 115.802 1.00 17.01 ? ? ? ? ? ? 91 TYR H O 1 +ATOM 14603 C CB . TYR H 1 92 ? 28.392 92.251 114.682 1.00 17.20 ? ? ? ? ? ? 91 TYR H CB 1 +ATOM 14604 C CG . TYR H 1 92 ? 29.756 91.555 114.949 1.00 18.35 ? ? ? ? ? ? 91 TYR H CG 1 +ATOM 14605 C CD1 . TYR H 1 92 ? 30.967 92.051 114.429 1.00 21.34 ? ? ? ? ? ? 91 TYR H CD1 1 +ATOM 14606 C CD2 . TYR H 1 92 ? 29.814 90.401 115.704 1.00 25.16 ? ? ? ? ? ? 91 TYR H CD2 1 +ATOM 14607 C CE1 . TYR H 1 92 ? 32.233 91.373 114.687 1.00 23.12 ? ? ? ? ? ? 91 TYR H CE1 1 +ATOM 14608 C CE2 . TYR H 1 92 ? 31.026 89.741 115.971 1.00 21.42 ? ? ? ? ? ? 91 TYR H CE2 1 +ATOM 14609 C CZ . TYR H 1 92 ? 32.228 90.226 115.465 1.00 23.45 ? ? ? ? ? ? 91 TYR H CZ 1 +ATOM 14610 O OH . TYR H 1 92 ? 33.366 89.512 115.767 1.00 28.66 ? ? ? ? ? ? 91 TYR H OH 1 +ATOM 14611 N N . ALA H 1 93 ? 28.835 95.353 114.053 1.00 16.30 ? ? ? ? ? ? 92 ALA H N 1 +ATOM 14612 C CA . ALA H 1 93 ? 29.742 96.380 113.588 1.00 15.90 ? ? ? ? ? ? 92 ALA H CA 1 +ATOM 14613 C C . ALA H 1 93 ? 29.860 97.515 114.613 1.00 15.57 ? ? ? ? ? ? 92 ALA H C 1 +ATOM 14614 O O . ALA H 1 93 ? 30.935 98.090 114.781 1.00 15.78 ? ? ? ? ? ? 92 ALA H O 1 +ATOM 14615 C CB . ALA H 1 93 ? 29.341 96.907 112.161 1.00 14.41 ? ? ? ? ? ? 92 ALA H CB 1 +ATOM 14616 N N . THR H 1 94 ? 28.779 97.803 115.327 1.00 15.90 ? ? ? ? ? ? 93 THR H N 1 +ATOM 14617 C CA . THR H 1 94 ? 28.781 98.799 116.403 1.00 14.62 ? ? ? ? ? ? 93 THR H CA 1 +ATOM 14618 C C . THR H 1 94 ? 29.646 98.378 117.556 1.00 15.59 ? ? ? ? ? ? 93 THR H C 1 +ATOM 14619 O O . THR H 1 94 ? 30.450 99.168 118.051 1.00 15.73 ? ? ? ? ? ? 93 THR H O 1 +ATOM 14620 C CB . THR H 1 94 ? 27.378 99.053 116.950 1.00 14.34 ? ? ? ? ? ? 93 THR H CB 1 +ATOM 14621 O OG1 . THR H 1 94 ? 26.522 99.441 115.875 1.00 17.01 ? ? ? ? ? ? 93 THR H OG1 1 +ATOM 14622 C CG2 . THR H 1 94 ? 27.411 100.193 117.975 1.00 11.45 ? ? ? ? ? ? 93 THR H CG2 1 +ATOM 14623 N N . GLN H 1 95 ? 29.481 97.133 117.985 1.00 16.48 ? ? ? ? ? ? 94 GLN H N 1 +ATOM 14624 C CA . GLN H 1 95 ? 30.302 96.548 119.047 1.00 16.03 ? ? ? ? ? ? 94 GLN H CA 1 +ATOM 14625 C C . GLN H 1 95 ? 31.806 96.557 118.704 1.00 15.88 ? ? ? ? ? ? 94 GLN H C 1 +ATOM 14626 O O . GLN H 1 95 ? 32.665 96.847 119.547 1.00 15.04 ? ? ? ? ? ? 94 GLN H O 1 +ATOM 14627 C CB . GLN H 1 95 ? 29.842 95.123 119.320 1.00 14.07 ? ? ? ? ? ? 94 GLN H CB 1 +ATOM 14628 C CG . GLN H 1 95 ? 28.471 95.018 119.957 1.00 16.61 ? ? ? ? ? ? 94 GLN H CG 1 +ATOM 14629 C CD . GLN H 1 95 ? 28.109 93.573 120.253 1.00 19.46 ? ? ? ? ? ? 94 GLN H CD 1 +ATOM 14630 O OE1 . GLN H 1 95 ? 28.369 92.708 119.424 1.00 20.75 ? ? ? ? ? ? 94 GLN H OE1 1 +ATOM 14631 N NE2 . GLN H 1 95 ? 27.504 93.298 121.444 1.00 15.32 ? ? ? ? ? ? 94 GLN H NE2 1 +ATOM 14632 N N . GLN H 1 96 ? 32.107 96.189 117.462 1.00 17.05 ? ? ? ? ? ? 95 GLN H N 1 +ATOM 14633 C CA . GLN H 1 96 ? 33.476 96.228 116.959 1.00 16.79 ? ? ? ? ? ? 95 GLN H CA 1 +ATOM 14634 C C . GLN H 1 96 ? 34.069 97.645 116.972 1.00 15.41 ? ? ? ? ? ? 95 GLN H C 1 +ATOM 14635 O O . GLN H 1 96 ? 35.239 97.840 117.321 1.00 16.91 ? ? ? ? ? ? 95 GLN H O 1 +ATOM 14636 C CB . GLN H 1 96 ? 33.549 95.632 115.547 1.00 16.27 ? ? ? ? ? ? 95 GLN H CB 1 +ATOM 14637 C CG . GLN H 1 96 ? 35.022 95.499 115.048 1.00 21.16 ? ? ? ? ? ? 95 GLN H CG 1 +ATOM 14638 C CD . GLN H 1 96 ? 35.130 94.844 113.675 1.00 27.64 ? ? ? ? ? ? 95 GLN H CD 1 +ATOM 14639 O OE1 . GLN H 1 96 ? 34.531 93.791 113.425 1.00 31.59 ? ? ? ? ? ? 95 GLN H OE1 1 +ATOM 14640 N NE2 . GLN H 1 96 ? 35.900 95.480 112.772 1.00 37.60 ? ? ? ? ? ? 95 GLN H NE2 1 +ATOM 14641 N N . ALA H 1 97 ? 33.281 98.635 116.576 1.00 16.14 ? ? ? ? ? ? 96 ALA H N 1 +ATOM 14642 C CA . ALA H 1 97 ? 33.730 100.031 116.590 1.00 15.49 ? ? ? ? ? ? 96 ALA H CA 1 +ATOM 14643 C C . ALA H 1 97 ? 34.086 100.433 118.034 1.00 16.48 ? ? ? ? ? ? 96 ALA H C 1 +ATOM 14644 O O . ALA H 1 97 ? 35.137 101.014 118.287 1.00 14.34 ? ? ? ? ? ? 96 ALA H O 1 +ATOM 14645 C CB . ALA H 1 97 ? 32.669 100.964 115.949 1.00 16.18 ? ? ? ? ? ? 96 ALA H CB 1 +ATOM 14646 N N . ILE H 1 98 ? 33.256 100.023 118.984 1.00 15.82 ? ? ? ? ? ? 97 ILE H N 1 +ATOM 14647 C CA . ILE H 1 98 ? 33.488 100.298 120.386 1.00 14.78 ? ? ? ? ? ? 97 ILE H CA 1 +ATOM 14648 C C . ILE H 1 98 ? 34.760 99.626 120.841 1.00 15.75 ? ? ? ? ? ? 97 ILE H C 1 +ATOM 14649 O O . ILE H 1 98 ? 35.591 100.303 121.425 1.00 15.80 ? ? ? ? ? ? 97 ILE H O 1 +ATOM 14650 C CB . ILE H 1 98 ? 32.314 99.809 121.284 1.00 16.44 ? ? ? ? ? ? 97 ILE H CB 1 +ATOM 14651 C CG1 . ILE H 1 98 ? 31.067 100.677 121.079 1.00 15.21 ? ? ? ? ? ? 97 ILE H CG1 1 +ATOM 14652 C CG2 . ILE H 1 98 ? 32.734 99.763 122.768 1.00 15.35 ? ? ? ? ? ? 97 ILE H CG2 1 +ATOM 14653 C CD1 . ILE H 1 98 ? 29.766 100.080 121.701 1.00 10.43 ? ? ? ? ? ? 97 ILE H CD1 1 +ATOM 14654 N N . LEU H 1 99 ? 34.908 98.304 120.604 1.00 16.20 ? ? ? ? ? ? 98 LEU H N 1 +ATOM 14655 C CA . LEU H 1 99 ? 36.134 97.590 121.014 1.00 16.67 ? ? ? ? ? ? 98 LEU H CA 1 +ATOM 14656 C C . LEU H 1 99 ? 37.405 98.198 120.390 1.00 17.22 ? ? ? ? ? ? 98 LEU H C 1 +ATOM 14657 O O . LEU H 1 99 ? 38.392 98.391 121.093 1.00 17.49 ? ? ? ? ? ? 98 LEU H O 1 +ATOM 14658 C CB . LEU H 1 99 ? 36.078 96.091 120.735 1.00 17.79 ? ? ? ? ? ? 98 LEU H CB 1 +ATOM 14659 C CG . LEU H 1 99 ? 37.265 95.284 121.288 1.00 16.53 ? ? ? ? ? ? 98 LEU H CG 1 +ATOM 14660 C CD1 . LEU H 1 99 ? 37.486 95.590 122.793 1.00 13.73 ? ? ? ? ? ? 98 LEU H CD1 1 +ATOM 14661 C CD2 . LEU H 1 99 ? 37.090 93.794 121.059 1.00 14.21 ? ? ? ? ? ? 98 LEU H CD2 1 +ATOM 14662 N N . GLU H 1 100 ? 37.340 98.535 119.096 1.00 17.82 ? ? ? ? ? ? 99 GLU H N 1 +ATOM 14663 C CA . GLU H 1 100 ? 38.411 99.275 118.409 1.00 17.95 ? ? ? ? ? ? 99 GLU H CA 1 +ATOM 14664 C C . GLU H 1 100 ? 38.778 100.569 119.098 1.00 17.71 ? ? ? ? ? ? 99 GLU H C 1 +ATOM 14665 O O . GLU H 1 100 ? 39.962 100.859 119.203 1.00 17.58 ? ? ? ? ? ? 99 GLU H O 1 +ATOM 14666 C CB . GLU H 1 100 ? 38.073 99.601 116.957 1.00 18.13 ? ? ? ? ? ? 99 GLU H CB 1 +ATOM 14667 C CG . GLU H 1 100 ? 38.100 98.396 116.050 1.00 21.59 ? ? ? ? ? ? 99 GLU H CG 1 +ATOM 14668 C CD . GLU H 1 100 ? 37.477 98.620 114.639 1.00 22.25 ? ? ? ? ? ? 99 GLU H CD 1 +ATOM 14669 O OE1 . GLU H 1 100 ? 36.859 99.668 114.305 1.00 21.06 ? ? ? ? ? ? 99 GLU H OE1 1 +ATOM 14670 O OE2 . GLU H 1 100 ? 37.630 97.677 113.863 1.00 28.22 ? ? ? ? ? ? 99 GLU H OE2 1 +ATOM 14671 N N . ASP H 1 101 ? 37.798 101.348 119.565 1.00 16.50 ? ? ? ? ? ? 100 ASP H N 1 +ATOM 14672 C CA . ASP H 1 101 ? 38.108 102.622 120.240 1.00 17.08 ? ? ? ? ? ? 100 ASP H CA 1 +ATOM 14673 C C . ASP H 1 101 ? 38.734 102.400 121.633 1.00 17.77 ? ? ? ? ? ? 100 ASP H C 1 +ATOM 14674 O O . ASP H 1 101 ? 39.677 103.088 121.998 1.00 17.76 ? ? ? ? ? ? 100 ASP H O 1 +ATOM 14675 C CB . ASP H 1 101 ? 36.890 103.555 120.293 1.00 17.71 ? ? ? ? ? ? 100 ASP H CB 1 +ATOM 14676 C CG . ASP H 1 101 ? 36.514 104.124 118.899 1.00 22.43 ? ? ? ? ? ? 100 ASP H CG 1 +ATOM 14677 O OD1 . ASP H 1 101 ? 37.361 104.012 117.989 1.00 20.61 ? ? ? ? ? ? 100 ASP H OD1 1 +ATOM 14678 O OD2 . ASP H 1 101 ? 35.401 104.682 118.724 1.00 20.19 ? ? ? ? ? ? 100 ASP H OD2 1 +ATOM 14679 N N . ILE H 1 102 ? 38.203 101.425 122.383 1.00 17.53 ? ? ? ? ? ? 101 ILE H N 1 +ATOM 14680 C CA . ILE H 1 102 ? 38.765 101.055 123.672 1.00 15.81 ? ? ? ? ? ? 101 ILE H CA 1 +ATOM 14681 C C . ILE H 1 102 ? 40.204 100.557 123.494 1.00 16.72 ? ? ? ? ? ? 101 ILE H C 1 +ATOM 14682 O O . ILE H 1 102 ? 41.095 101.035 124.163 1.00 17.80 ? ? ? ? ? ? 101 ILE H O 1 +ATOM 14683 C CB . ILE H 1 102 ? 37.904 100.003 124.403 1.00 14.64 ? ? ? ? ? ? 101 ILE H CB 1 +ATOM 14684 C CG1 . ILE H 1 102 ? 36.533 100.573 124.770 1.00 17.79 ? ? ? ? ? ? 101 ILE H CG1 1 +ATOM 14685 C CG2 . ILE H 1 102 ? 38.553 99.540 125.716 1.00 13.14 ? ? ? ? ? ? 101 ILE H CG2 1 +ATOM 14686 C CD1 . ILE H 1 102 ? 35.531 99.512 125.244 1.00 11.14 ? ? ? ? ? ? 101 ILE H CD1 1 +ATOM 14687 N N . VAL H 1 103 ? 40.449 99.624 122.573 1.00 17.22 ? ? ? ? ? ? 102 VAL H N 1 +ATOM 14688 C CA . VAL H 1 103 ? 41.818 99.112 122.350 1.00 17.17 ? ? ? ? ? ? 102 VAL H CA 1 +ATOM 14689 C C . VAL H 1 103 ? 42.784 100.183 121.892 1.00 17.94 ? ? ? ? ? ? 102 VAL H C 1 +ATOM 14690 O O . VAL H 1 103 ? 43.946 100.229 122.349 1.00 18.83 ? ? ? ? ? ? 102 VAL H O 1 +ATOM 14691 C CB . VAL H 1 103 ? 41.818 97.864 121.374 1.00 16.92 ? ? ? ? ? ? 102 VAL H CB 1 +ATOM 14692 C CG1 . VAL H 1 103 ? 43.219 97.472 120.932 1.00 12.75 ? ? ? ? ? ? 102 VAL H CG1 1 +ATOM 14693 C CG2 . VAL H 1 103 ? 41.147 96.699 122.082 1.00 12.32 ? ? ? ? ? ? 102 VAL H CG2 1 +ATOM 14694 N N . SER H 1 104 ? 42.329 101.033 120.971 1.00 17.18 ? ? ? ? ? ? 103 SER H N 1 +ATOM 14695 C CA . SER H 1 104 ? 43.160 102.149 120.485 1.00 19.27 ? ? ? ? ? ? 103 SER H CA 1 +ATOM 14696 C C . SER H 1 104 ? 43.666 103.059 121.639 1.00 18.74 ? ? ? ? ? ? 103 SER H C 1 +ATOM 14697 O O . SER H 1 104 ? 44.871 103.333 121.753 1.00 19.04 ? ? ? ? ? ? 103 SER H O 1 +ATOM 14698 C CB . SER H 1 104 ? 42.389 102.973 119.463 1.00 16.16 ? ? ? ? ? ? 103 SER H CB 1 +ATOM 14699 O OG . SER H 1 104 ? 43.151 104.076 119.070 1.00 23.52 ? ? ? ? ? ? 103 SER H OG 1 +ATOM 14700 N N . SER H 1 105 ? 42.756 103.484 122.512 1.00 18.15 ? ? ? ? ? ? 104 SER H N 1 +ATOM 14701 C CA . SER H 1 105 ? 43.160 104.297 123.663 1.00 17.96 ? ? ? ? ? ? 104 SER H CA 1 +ATOM 14702 C C . SER H 1 105 ? 44.105 103.531 124.626 1.00 17.44 ? ? ? ? ? ? 104 SER H C 1 +ATOM 14703 O O . SER H 1 105 ? 45.174 104.029 124.990 1.00 18.09 ? ? ? ? ? ? 104 SER H O 1 +ATOM 14704 C CB . SER H 1 105 ? 41.924 104.807 124.403 1.00 18.90 ? ? ? ? ? ? 104 SER H CB 1 +ATOM 14705 O OG . SER H 1 105 ? 41.144 105.649 123.561 1.00 21.48 ? ? ? ? ? ? 104 SER H OG 1 +ATOM 14706 N N . LEU H 1 106 ? 43.717 102.325 125.035 1.00 17.61 ? ? ? ? ? ? 105 LEU H N 1 +ATOM 14707 C CA . LEU H 1 106 ? 44.493 101.550 126.004 1.00 17.28 ? ? ? ? ? ? 105 LEU H CA 1 +ATOM 14708 C C . LEU H 1 106 ? 45.885 101.309 125.487 1.00 18.68 ? ? ? ? ? ? 105 LEU H C 1 +ATOM 14709 O O . LEU H 1 106 ? 46.817 101.293 126.250 1.00 18.58 ? ? ? ? ? ? 105 LEU H O 1 +ATOM 14710 C CB . LEU H 1 106 ? 43.816 100.206 126.305 1.00 18.07 ? ? ? ? ? ? 105 LEU H CB 1 +ATOM 14711 C CG . LEU H 1 106 ? 42.500 100.275 127.069 1.00 19.92 ? ? ? ? ? ? 105 LEU H CG 1 +ATOM 14712 C CD1 . LEU H 1 106 ? 41.846 98.900 127.091 1.00 17.97 ? ? ? ? ? ? 105 LEU H CD1 1 +ATOM 14713 C CD2 . LEU H 1 106 ? 42.662 100.863 128.471 1.00 17.94 ? ? ? ? ? ? 105 LEU H CD2 1 +ATOM 14714 N N . HIS H 1 107 ? 46.008 101.125 124.168 1.00 19.92 ? ? ? ? ? ? 106 HIS H N 1 +ATOM 14715 C CA . HIS H 1 107 ? 47.289 100.900 123.534 1.00 21.30 ? ? ? ? ? ? 106 HIS H CA 1 +ATOM 14716 C C . HIS H 1 107 ? 48.196 102.122 123.577 1.00 21.19 ? ? ? ? ? ? 106 HIS H C 1 +ATOM 14717 O O . HIS H 1 107 ? 49.386 101.976 123.888 1.00 22.79 ? ? ? ? ? ? 106 HIS H O 1 +ATOM 14718 C CB . HIS H 1 107 ? 47.090 100.429 122.099 1.00 21.41 ? ? ? ? ? ? 106 HIS H CB 1 +ATOM 14719 C CG . HIS H 1 107 ? 48.331 99.877 121.487 1.00 22.41 ? ? ? ? ? ? 106 HIS H CG 1 +ATOM 14720 N ND1 . HIS H 1 107 ? 49.252 100.677 120.857 1.00 22.28 ? ? ? ? ? ? 106 HIS H ND1 1 +ATOM 14721 C CD2 . HIS H 1 107 ? 48.832 98.624 121.452 1.00 22.53 ? ? ? ? ? ? 106 HIS H CD2 1 +ATOM 14722 C CE1 . HIS H 1 107 ? 50.255 99.934 120.433 1.00 27.94 ? ? ? ? ? ? 106 HIS H CE1 1 +ATOM 14723 N NE2 . HIS H 1 107 ? 50.018 98.683 120.767 1.00 21.94 ? ? ? ? ? ? 106 HIS H NE2 1 +ATOM 14724 N N . VAL H 1 108 ? 47.655 103.314 123.272 1.00 21.63 ? ? ? ? ? ? 107 VAL H N 1 +ATOM 14725 C CA A VAL H 1 108 ? 48.408 104.570 123.372 0.50 21.91 ? ? ? ? ? ? 107 VAL H CA 1 +ATOM 14726 C CA B VAL H 1 108 ? 48.460 104.527 123.351 0.50 22.15 ? ? ? ? ? ? 107 VAL H CA 1 +ATOM 14727 C C . VAL H 1 108 ? 48.874 104.794 124.811 1.00 22.28 ? ? ? ? ? ? 107 VAL H C 1 +ATOM 14728 O O . VAL H 1 108 ? 49.926 105.375 125.056 1.00 22.36 ? ? ? ? ? ? 107 VAL H O 1 +ATOM 14729 C CB A VAL H 1 108 ? 47.564 105.792 122.921 0.50 21.63 ? ? ? ? ? ? 107 VAL H CB 1 +ATOM 14730 C CB B VAL H 1 108 ? 47.785 105.760 122.662 0.50 21.49 ? ? ? ? ? ? 107 VAL H CB 1 +ATOM 14731 C CG1 A VAL H 1 108 ? 48.270 107.119 123.273 0.50 17.06 ? ? ? ? ? ? 107 VAL H CG1 1 +ATOM 14732 C CG1 B VAL H 1 108 ? 47.533 105.458 121.208 0.50 23.81 ? ? ? ? ? ? 107 VAL H CG1 1 +ATOM 14733 C CG2 A VAL H 1 108 ? 47.273 105.712 121.446 0.50 21.29 ? ? ? ? ? ? 107 VAL H CG2 1 +ATOM 14734 C CG2 B VAL H 1 108 ? 46.484 106.167 123.342 0.50 18.60 ? ? ? ? ? ? 107 VAL H CG2 1 +ATOM 14735 N N . GLN H 1 109 ? 48.072 104.316 125.767 1.00 22.03 ? ? ? ? ? ? 108 GLN H N 1 +ATOM 14736 C CA . GLN H 1 109 ? 48.398 104.430 127.197 1.00 21.52 ? ? ? ? ? ? 108 GLN H CA 1 +ATOM 14737 C C . GLN H 1 109 ? 49.470 103.456 127.704 1.00 22.99 ? ? ? ? ? ? 108 GLN H C 1 +ATOM 14738 O O . GLN H 1 109 ? 49.913 103.548 128.843 1.00 23.53 ? ? ? ? ? ? 108 GLN H O 1 +ATOM 14739 C CB . GLN H 1 109 ? 47.139 104.265 128.013 1.00 20.37 ? ? ? ? ? ? 108 GLN H CB 1 +ATOM 14740 C CG . GLN H 1 109 ? 46.167 105.418 127.801 1.00 19.51 ? ? ? ? ? ? 108 GLN H CG 1 +ATOM 14741 C CD . GLN H 1 109 ? 44.763 105.026 128.058 1.00 18.99 ? ? ? ? ? ? 108 GLN H CD 1 +ATOM 14742 O OE1 . GLN H 1 109 ? 44.511 104.045 128.767 1.00 21.91 ? ? ? ? ? ? 108 GLN H OE1 1 +ATOM 14743 N NE2 . GLN H 1 109 ? 43.810 105.785 127.486 1.00 17.63 ? ? ? ? ? ? 108 GLN H NE2 1 +ATOM 14744 N N . GLY H 1 110 ? 49.863 102.512 126.870 1.00 22.90 ? ? ? ? ? ? 109 GLY H N 1 +ATOM 14745 C CA . GLY H 1 110 ? 50.938 101.593 127.190 1.00 22.02 ? ? ? ? ? ? 109 GLY H CA 1 +ATOM 14746 C C . GLY H 1 110 ? 50.455 100.215 127.585 1.00 21.92 ? ? ? ? ? ? 109 GLY H C 1 +ATOM 14747 O O . GLY H 1 110 ? 51.258 99.336 127.850 1.00 21.66 ? ? ? ? ? ? 109 GLY H O 1 +ATOM 14748 N N . PHE H 1 111 ? 49.149 100.004 127.602 1.00 21.07 ? ? ? ? ? ? 110 PHE H N 1 +ATOM 14749 C CA . PHE H 1 111 ? 48.615 98.724 128.034 1.00 19.69 ? ? ? ? ? ? 110 PHE H CA 1 +ATOM 14750 C C . PHE H 1 111 ? 48.668 97.739 126.878 1.00 20.19 ? ? ? ? ? ? 110 PHE H C 1 +ATOM 14751 O O . PHE H 1 111 ? 48.595 98.147 125.747 1.00 20.70 ? ? ? ? ? ? 110 PHE H O 1 +ATOM 14752 C CB . PHE H 1 111 ? 47.195 98.882 128.587 1.00 20.88 ? ? ? ? ? ? 110 PHE H CB 1 +ATOM 14753 C CG . PHE H 1 111 ? 47.134 99.779 129.778 1.00 18.43 ? ? ? ? ? ? 110 PHE H CG 1 +ATOM 14754 C CD1 . PHE H 1 111 ? 47.824 99.450 130.942 1.00 22.85 ? ? ? ? ? ? 110 PHE H CD1 1 +ATOM 14755 C CD2 . PHE H 1 111 ? 46.419 100.953 129.745 1.00 17.70 ? ? ? ? ? ? 110 PHE H CD2 1 +ATOM 14756 C CE1 . PHE H 1 111 ? 47.794 100.306 132.055 1.00 21.67 ? ? ? ? ? ? 110 PHE H CE1 1 +ATOM 14757 C CE2 . PHE H 1 111 ? 46.374 101.780 130.846 1.00 19.39 ? ? ? ? ? ? 110 PHE H CE2 1 +ATOM 14758 C CZ . PHE H 1 111 ? 47.085 101.472 131.995 1.00 19.37 ? ? ? ? ? ? 110 PHE H CZ 1 +ATOM 14759 N N . ARG H 1 112 ? 48.837 96.453 127.205 1.00 19.88 ? ? ? ? ? ? 111 ARG H N 1 +ATOM 14760 C CA . ARG H 1 112 ? 49.046 95.372 126.236 1.00 21.40 ? ? ? ? ? ? 111 ARG H CA 1 +ATOM 14761 C C . ARG H 1 112 ? 48.280 94.097 126.544 1.00 20.49 ? ? ? ? ? ? 111 ARG H C 1 +ATOM 14762 O O . ARG H 1 112 ? 48.380 93.129 125.813 1.00 20.35 ? ? ? ? ? ? 111 ARG H O 1 +ATOM 14763 C CB . ARG H 1 112 ? 50.541 95.018 126.140 1.00 20.60 ? ? ? ? ? ? 111 ARG H CB 1 +ATOM 14764 C CG . ARG H 1 112 ? 51.437 96.143 125.689 1.00 20.29 ? ? ? ? ? ? 111 ARG H CG 1 +ATOM 14765 C CD . ARG H 1 112 ? 51.102 96.534 124.252 1.00 20.89 ? ? ? ? ? ? 111 ARG H CD 1 +ATOM 14766 N NE . ARG H 1 112 ? 51.977 97.603 123.795 1.00 25.61 ? ? ? ? ? ? 111 ARG H NE 1 +ATOM 14767 C CZ . ARG H 1 112 ? 51.710 98.908 123.850 1.00 23.24 ? ? ? ? ? ? 111 ARG H CZ 1 +ATOM 14768 N NH1 . ARG H 1 112 ? 50.554 99.337 124.318 1.00 20.12 ? ? ? ? ? ? 111 ARG H NH1 1 +ATOM 14769 N NH2 . ARG H 1 112 ? 52.605 99.789 123.400 1.00 22.17 ? ? ? ? ? ? 111 ARG H NH2 1 +ATOM 14770 N N . LYS H 1 113 ? 47.494 94.096 127.607 1.00 19.97 ? ? ? ? ? ? 112 LYS H N 1 +ATOM 14771 C CA . LYS H 1 113 ? 46.773 92.904 128.039 1.00 20.39 ? ? ? ? ? ? 112 LYS H CA 1 +ATOM 14772 C C . LYS H 1 113 ? 45.367 93.256 128.485 1.00 19.42 ? ? ? ? ? ? 112 LYS H C 1 +ATOM 14773 O O . LYS H 1 113 ? 45.194 94.055 129.385 1.00 19.14 ? ? ? ? ? ? 112 LYS H O 1 +ATOM 14774 C CB . LYS H 1 113 ? 47.544 92.227 129.173 1.00 20.88 ? ? ? ? ? ? 112 LYS H CB 1 +ATOM 14775 C CG . LYS H 1 113 ? 48.935 91.712 128.731 1.00 24.68 ? ? ? ? ? ? 112 LYS H CG 1 +ATOM 14776 C CD . LYS H 1 113 ? 49.820 91.417 129.883 1.00 34.80 ? ? ? ? ? ? 112 LYS H CD 1 +ATOM 14777 C CE . LYS H 1 113 ? 51.153 90.849 129.423 1.00 40.23 ? ? ? ? ? ? 112 LYS H CE 1 +ATOM 14778 N NZ . LYS H 1 113 ? 51.935 90.301 130.570 1.00 42.06 ? ? ? ? ? ? 112 LYS H NZ 1 +ATOM 14779 N N . LEU H 1 114 ? 44.388 92.645 127.850 1.00 18.54 ? ? ? ? ? ? 113 LEU H N 1 +ATOM 14780 C CA . LEU H 1 114 ? 42.978 92.939 128.093 1.00 18.54 ? ? ? ? ? ? 113 LEU H CA 1 +ATOM 14781 C C . LEU H 1 114 ? 42.162 91.638 128.137 1.00 17.90 ? ? ? ? ? ? 113 LEU H C 1 +ATOM 14782 O O . LEU H 1 114 ? 42.375 90.735 127.333 1.00 18.78 ? ? ? ? ? ? 113 LEU H O 1 +ATOM 14783 C CB . LEU H 1 114 ? 42.436 93.865 127.014 1.00 18.94 ? ? ? ? ? ? 113 LEU H CB 1 +ATOM 14784 C CG . LEU H 1 114 ? 40.939 94.179 126.993 1.00 15.24 ? ? ? ? ? ? 113 LEU H CG 1 +ATOM 14785 C CD1 . LEU H 1 114 ? 40.531 95.132 128.119 1.00 9.97 ? ? ? ? ? ? 113 LEU H CD1 1 +ATOM 14786 C CD2 . LEU H 1 114 ? 40.656 94.758 125.609 1.00 21.52 ? ? ? ? ? ? 113 LEU H CD2 1 +ATOM 14787 N N . LEU H 1 115 ? 41.270 91.546 129.118 1.00 17.76 ? ? ? ? ? ? 114 LEU H N 1 +ATOM 14788 C CA . LEU H 1 115 ? 40.270 90.498 129.165 1.00 17.34 ? ? ? ? ? ? 114 LEU H CA 1 +ATOM 14789 C C . LEU H 1 115 ? 38.898 91.112 129.002 1.00 17.50 ? ? ? ? ? ? 114 LEU H C 1 +ATOM 14790 O O . LEU H 1 115 ? 38.531 92.022 129.755 1.00 18.60 ? ? ? ? ? ? 114 LEU H O 1 +ATOM 14791 C CB . LEU H 1 115 ? 40.322 89.711 130.480 1.00 16.42 ? ? ? ? ? ? 114 LEU H CB 1 +ATOM 14792 C CG . LEU H 1 115 ? 39.152 88.731 130.688 1.00 19.55 ? ? ? ? ? ? 114 LEU H CG 1 +ATOM 14793 C CD1 . LEU H 1 115 ? 39.302 87.477 129.820 1.00 15.47 ? ? ? ? ? ? 114 LEU H CD1 1 +ATOM 14794 C CD2 . LEU H 1 115 ? 39.019 88.340 132.101 1.00 16.77 ? ? ? ? ? ? 114 LEU H CD2 1 +ATOM 14795 N N . ILE H 1 116 ? 38.132 90.590 128.042 1.00 17.21 ? ? ? ? ? ? 115 ILE H N 1 +ATOM 14796 C CA . ILE H 1 116 ? 36.710 90.909 127.927 1.00 17.41 ? ? ? ? ? ? 115 ILE H CA 1 +ATOM 14797 C C . ILE H 1 116 ? 35.909 89.902 128.740 1.00 18.28 ? ? ? ? ? ? 115 ILE H C 1 +ATOM 14798 O O . ILE H 1 116 ? 35.924 88.707 128.435 1.00 18.30 ? ? ? ? ? ? 115 ILE H O 1 +ATOM 14799 C CB . ILE H 1 116 ? 36.223 90.911 126.447 1.00 17.91 ? ? ? ? ? ? 115 ILE H CB 1 +ATOM 14800 C CG1 . ILE H 1 116 ? 37.129 91.816 125.572 1.00 13.74 ? ? ? ? ? ? 115 ILE H CG1 1 +ATOM 14801 C CG2 . ILE H 1 116 ? 34.741 91.317 126.389 1.00 12.70 ? ? ? ? ? ? 115 ILE H CG2 1 +ATOM 14802 C CD1 . ILE H 1 116 ? 36.822 91.756 124.072 1.00 16.45 ? ? ? ? ? ? 115 ILE H CD1 1 +ATOM 14803 N N . LEU H 1 117 ? 35.258 90.364 129.806 1.00 17.33 ? ? ? ? ? ? 116 LEU H N 1 +ATOM 14804 C CA . LEU H 1 117 ? 34.424 89.506 130.619 1.00 16.80 ? ? ? ? ? ? 116 LEU H CA 1 +ATOM 14805 C C . LEU H 1 117 ? 32.980 89.804 130.352 1.00 17.24 ? ? ? ? ? ? 116 LEU H C 1 +ATOM 14806 O O . LEU H 1 117 ? 32.446 90.798 130.842 1.00 17.64 ? ? ? ? ? ? 116 LEU H O 1 +ATOM 14807 C CB . LEU H 1 117 ? 34.693 89.688 132.101 1.00 15.98 ? ? ? ? ? ? 116 LEU H CB 1 +ATOM 14808 C CG . LEU H 1 117 ? 34.076 88.622 133.018 1.00 17.65 ? ? ? ? ? ? 116 LEU H CG 1 +ATOM 14809 C CD1 . LEU H 1 117 ? 34.624 87.234 132.651 1.00 8.92 ? ? ? ? ? ? 116 LEU H CD1 1 +ATOM 14810 C CD2 . LEU H 1 117 ? 34.336 88.954 134.495 1.00 14.48 ? ? ? ? ? ? 116 LEU H CD2 1 +ATOM 14811 N N . SER H 1 118 ? 32.336 88.909 129.609 1.00 17.96 ? ? ? ? ? ? 117 SER H N 1 +ATOM 14812 C CA . SER H 1 118 ? 30.989 89.133 129.151 1.00 18.38 ? ? ? ? ? ? 117 SER H CA 1 +ATOM 14813 C C . SER H 1 118 ? 29.923 88.533 130.105 1.00 20.22 ? ? ? ? ? ? 117 SER H C 1 +ATOM 14814 O O . SER H 1 118 ? 30.114 87.481 130.715 1.00 20.53 ? ? ? ? ? ? 117 SER H O 1 +ATOM 14815 C CB . SER H 1 118 ? 30.861 88.592 127.734 1.00 15.49 ? ? ? ? ? ? 117 SER H CB 1 +ATOM 14816 O OG . SER H 1 118 ? 29.545 88.651 127.241 1.00 15.68 ? ? ? ? ? ? 117 SER H OG 1 +ATOM 14817 N N . GLY H 1 119 ? 28.813 89.251 130.238 1.00 20.64 ? ? ? ? ? ? 118 GLY H N 1 +ATOM 14818 C CA . GLY H 1 119 ? 27.677 88.816 131.027 1.00 20.56 ? ? ? ? ? ? 118 GLY H CA 1 +ATOM 14819 C C . GLY H 1 119 ? 26.540 88.382 130.147 1.00 20.08 ? ? ? ? ? ? 118 GLY H C 1 +ATOM 14820 O O . GLY H 1 119 ? 25.475 88.013 130.647 1.00 21.27 ? ? ? ? ? ? 118 GLY H O 1 +ATOM 14821 N N . HIS H 1 120 ? 26.747 88.457 128.838 1.00 19.56 ? ? ? ? ? ? 119 HIS H N 1 +ATOM 14822 C CA . HIS H 1 120 ? 25.692 88.204 127.876 1.00 20.95 ? ? ? ? ? ? 119 HIS H CA 1 +ATOM 14823 C C . HIS H 1 120 ? 26.172 87.219 126.809 1.00 22.39 ? ? ? ? ? ? 119 HIS H C 1 +ATOM 14824 O O . HIS H 1 120 ? 27.129 87.485 126.065 1.00 23.98 ? ? ? ? ? ? 119 HIS H O 1 +ATOM 14825 C CB . HIS H 1 120 ? 25.214 89.520 127.281 1.00 17.71 ? ? ? ? ? ? 119 HIS H CB 1 +ATOM 14826 C CG . HIS H 1 120 ? 24.177 89.364 126.224 1.00 18.46 ? ? ? ? ? ? 119 HIS H CG 1 +ATOM 14827 N ND1 . HIS H 1 120 ? 22.963 88.777 126.459 1.00 18.48 ? ? ? ? ? ? 119 HIS H ND1 1 +ATOM 14828 C CD2 . HIS H 1 120 ? 24.173 89.715 124.917 1.00 22.74 ? ? ? ? ? ? 119 HIS H CD2 1 +ATOM 14829 C CE1 . HIS H 1 120 ? 22.250 88.772 125.352 1.00 21.02 ? ? ? ? ? ? 119 HIS H CE1 1 +ATOM 14830 N NE2 . HIS H 1 120 ? 22.961 89.344 124.399 1.00 21.42 ? ? ? ? ? ? 119 HIS H NE2 1 +ATOM 14831 N N . GLY H 1 121 ? 25.527 86.064 126.763 1.00 22.53 ? ? ? ? ? ? 120 GLY H N 1 +ATOM 14832 C CA . GLY H 1 121 ? 25.903 84.993 125.848 1.00 23.18 ? ? ? ? ? ? 120 GLY H CA 1 +ATOM 14833 C C . GLY H 1 121 ? 25.713 85.290 124.371 1.00 23.58 ? ? ? ? ? ? 120 GLY H C 1 +ATOM 14834 O O . GLY H 1 121 ? 26.379 84.692 123.533 1.00 24.71 ? ? ? ? ? ? 120 GLY H O 1 +ATOM 14835 N N . GLY H 1 122 ? 24.787 86.194 124.061 1.00 23.67 ? ? ? ? ? ? 121 GLY H N 1 +ATOM 14836 C CA . GLY H 1 122 ? 24.614 86.725 122.731 1.00 22.54 ? ? ? ? ? ? 121 GLY H CA 1 +ATOM 14837 C C . GLY H 1 122 ? 25.778 87.549 122.225 1.00 22.98 ? ? ? ? ? ? 121 GLY H C 1 +ATOM 14838 O O . GLY H 1 122 ? 25.876 87.809 121.015 1.00 23.26 ? ? ? ? ? ? 121 GLY H O 1 +ATOM 14839 N N . ASN H 1 123 ? 26.662 87.995 123.112 1.00 22.38 ? ? ? ? ? ? 122 ASN H N 1 +ATOM 14840 C CA . ASN H 1 123 ? 27.883 88.646 122.663 1.00 21.82 ? ? ? ? ? ? 122 ASN H CA 1 +ATOM 14841 C C . ASN H 1 123 ? 28.887 87.611 122.208 1.00 22.26 ? ? ? ? ? ? 122 ASN H C 1 +ATOM 14842 O O . ASN H 1 123 ? 29.109 86.599 122.894 1.00 21.73 ? ? ? ? ? ? 122 ASN H O 1 +ATOM 14843 C CB . ASN H 1 123 ? 28.524 89.506 123.748 1.00 21.64 ? ? ? ? ? ? 122 ASN H CB 1 +ATOM 14844 C CG . ASN H 1 123 ? 27.650 90.652 124.169 1.00 19.62 ? ? ? ? ? ? 122 ASN H CG 1 +ATOM 14845 O OD1 . ASN H 1 123 ? 26.862 91.174 123.381 1.00 15.46 ? ? ? ? ? ? 122 ASN H OD1 1 +ATOM 14846 N ND2 . ASN H 1 123 ? 27.765 91.033 125.410 1.00 13.65 ? ? ? ? ? ? 122 ASN H ND2 1 +ATOM 14847 N N . ASN H 1 124 ? 29.491 87.894 121.052 1.00 21.36 ? ? ? ? ? ? 123 ASN H N 1 +ATOM 14848 C CA . ASN H 1 124 ? 30.539 87.051 120.474 1.00 22.61 ? ? ? ? ? ? 123 ASN H CA 1 +ATOM 14849 C C . ASN H 1 124 ? 31.676 87.954 120.032 1.00 20.65 ? ? ? ? ? ? 123 ASN H C 1 +ATOM 14850 O O . ASN H 1 124 ? 31.443 88.911 119.321 1.00 21.02 ? ? ? ? ? ? 123 ASN H O 1 +ATOM 14851 C CB . ASN H 1 124 ? 29.964 86.280 119.293 1.00 25.20 ? ? ? ? ? ? 123 ASN H CB 1 +ATOM 14852 C CG . ASN H 1 124 ? 28.995 85.179 119.719 1.00 30.14 ? ? ? ? ? ? 123 ASN H CG 1 +ATOM 14853 O OD1 . ASN H 1 124 ? 29.424 84.101 120.125 1.00 37.97 ? ? ? ? ? ? 123 ASN H OD1 1 +ATOM 14854 N ND2 . ASN H 1 124 ? 27.677 85.441 119.600 1.00 31.04 ? ? ? ? ? ? 123 ASN H ND2 1 +ATOM 14855 N N . PHE H 1 125 ? 32.882 87.661 120.511 1.00 20.05 ? ? ? ? ? ? 124 PHE H N 1 +ATOM 14856 C CA . PHE H 1 125 ? 34.073 88.523 120.348 1.00 19.09 ? ? ? ? ? ? 124 PHE H CA 1 +ATOM 14857 C C . PHE H 1 125 ? 35.256 87.908 119.582 1.00 18.74 ? ? ? ? ? ? 124 PHE H C 1 +ATOM 14858 O O . PHE H 1 125 ? 36.260 88.573 119.372 1.00 19.14 ? ? ? ? ? ? 124 PHE H O 1 +ATOM 14859 C CB . PHE H 1 125 ? 34.592 88.942 121.736 1.00 19.36 ? ? ? ? ? ? 124 PHE H CB 1 +ATOM 14860 C CG . PHE H 1 125 ? 33.604 89.744 122.523 1.00 18.97 ? ? ? ? ? ? 124 PHE H CG 1 +ATOM 14861 C CD1 . PHE H 1 125 ? 33.386 91.059 122.217 1.00 17.41 ? ? ? ? ? ? 124 PHE H CD1 1 +ATOM 14862 C CD2 . PHE H 1 125 ? 32.847 89.147 123.536 1.00 16.46 ? ? ? ? ? ? 124 PHE H CD2 1 +ATOM 14863 C CE1 . PHE H 1 125 ? 32.421 91.807 122.927 1.00 19.14 ? ? ? ? ? ? 124 PHE H CE1 1 +ATOM 14864 C CE2 . PHE H 1 125 ? 31.907 89.860 124.237 1.00 18.04 ? ? ? ? ? ? 124 PHE H CE2 1 +ATOM 14865 C CZ . PHE H 1 125 ? 31.676 91.197 123.939 1.00 16.46 ? ? ? ? ? ? 124 PHE H CZ 1 +ATOM 14866 N N . LYS H 1 126 ? 35.148 86.656 119.161 1.00 18.91 ? ? ? ? ? ? 125 LYS H N 1 +ATOM 14867 C CA . LYS H 1 126 ? 36.286 85.966 118.529 1.00 18.99 ? ? ? ? ? ? 125 LYS H CA 1 +ATOM 14868 C C . LYS H 1 126 ? 36.750 86.625 117.206 1.00 18.66 ? ? ? ? ? ? 125 LYS H C 1 +ATOM 14869 O O . LYS H 1 126 ? 37.942 86.842 116.993 1.00 20.26 ? ? ? ? ? ? 125 LYS H O 1 +ATOM 14870 C CB . LYS H 1 126 ? 35.954 84.479 118.299 1.00 20.25 ? ? ? ? ? ? 125 LYS H CB 1 +ATOM 14871 C CG . LYS H 1 126 ? 35.671 83.681 119.564 1.00 19.25 ? ? ? ? ? ? 125 LYS H CG 1 +ATOM 14872 C CD . LYS H 1 126 ? 35.490 82.166 119.269 1.00 22.16 ? ? ? ? ? ? 125 LYS H CD 1 +ATOM 14873 C CE . LYS H 1 126 ? 35.483 81.373 120.555 1.00 26.21 ? ? ? ? ? ? 125 LYS H CE 1 +ATOM 14874 N NZ . LYS H 1 126 ? 35.434 79.915 120.313 1.00 31.89 ? ? ? ? ? ? 125 LYS H NZ 1 +ATOM 14875 N N . GLY H 1 127 ? 35.807 86.934 116.333 1.00 17.60 ? ? ? ? ? ? 126 GLY H N 1 +ATOM 14876 C CA . GLY H 1 127 ? 36.072 87.665 115.086 1.00 18.14 ? ? ? ? ? ? 126 GLY H CA 1 +ATOM 14877 C C . GLY H 1 127 ? 36.747 89.026 115.303 1.00 19.43 ? ? ? ? ? ? 126 GLY H C 1 +ATOM 14878 O O . GLY H 1 127 ? 37.729 89.313 114.660 1.00 17.80 ? ? ? ? ? ? 126 GLY H O 1 +ATOM 14879 N N . MSE H 1 128 ? 36.266 89.813 116.270 1.00 19.50 ? ? ? ? ? ? 127 MSE H N 1 +ATOM 14880 C CA . MSE H 1 128 ? 36.860 91.114 116.619 1.00 19.38 ? ? ? ? ? ? 127 MSE H CA 1 +ATOM 14881 C C . MSE H 1 128 ? 38.265 90.953 117.140 1.00 18.25 ? ? ? ? ? ? 127 MSE H C 1 +ATOM 14882 O O . MSE H 1 128 ? 39.171 91.717 116.789 1.00 17.49 ? ? ? ? ? ? 127 MSE H O 1 +ATOM 14883 C CB . MSE H 1 128 ? 36.063 91.813 117.737 1.00 21.41 ? ? ? ? ? ? 127 MSE H CB 1 +ATOM 14884 C CG . MSE H 1 128 ? 34.597 91.990 117.464 1.00 23.30 ? ? ? ? ? ? 127 MSE H CG 1 +ATOM 14885 SE SE . MSE H 1 128 ? 33.689 92.941 118.873 0.75 19.01 ? ? ? ? ? ? 127 MSE H SE 1 +ATOM 14886 C CE . MSE H 1 128 ? 31.869 92.400 118.423 1.00 13.92 ? ? ? ? ? ? 127 MSE H CE 1 +ATOM 14887 N N . ILE H 1 129 ? 38.448 89.977 118.014 1.00 18.22 ? ? ? ? ? ? 128 ILE H N 1 +ATOM 14888 C CA . ILE H 1 129 ? 39.761 89.677 118.539 1.00 18.24 ? ? ? ? ? ? 128 ILE H CA 1 +ATOM 14889 C C . ILE H 1 129 ? 40.743 89.239 117.447 1.00 18.01 ? ? ? ? ? ? 128 ILE H C 1 +ATOM 14890 O O . ILE H 1 129 ? 41.908 89.635 117.457 1.00 17.98 ? ? ? ? ? ? 128 ILE H O 1 +ATOM 14891 C CB . ILE H 1 129 ? 39.692 88.595 119.641 1.00 17.78 ? ? ? ? ? ? 128 ILE H CB 1 +ATOM 14892 C CG1 . ILE H 1 129 ? 39.088 89.188 120.922 1.00 20.75 ? ? ? ? ? ? 128 ILE H CG1 1 +ATOM 14893 C CG2 . ILE H 1 129 ? 41.055 88.005 119.869 1.00 14.39 ? ? ? ? ? ? 128 ILE H CG2 1 +ATOM 14894 C CD1 . ILE H 1 129 ? 38.681 88.166 121.940 1.00 18.05 ? ? ? ? ? ? 128 ILE H CD1 1 +ATOM 14895 N N . ARG H 1 130 ? 40.292 88.398 116.523 1.00 18.38 ? ? ? ? ? ? 129 ARG H N 1 +ATOM 14896 C CA . ARG H 1 130 ? 41.142 87.973 115.405 1.00 18.49 ? ? ? ? ? ? 129 ARG H CA 1 +ATOM 14897 C C . ARG H 1 130 ? 41.604 89.180 114.554 1.00 19.26 ? ? ? ? ? ? 129 ARG H C 1 +ATOM 14898 O O . ARG H 1 130 ? 42.777 89.299 114.180 1.00 19.84 ? ? ? ? ? ? 129 ARG H O 1 +ATOM 14899 C CB . ARG H 1 130 ? 40.388 86.987 114.504 1.00 19.36 ? ? ? ? ? ? 129 ARG H CB 1 +ATOM 14900 C CG . ARG H 1 130 ? 40.303 85.590 115.064 1.00 20.29 ? ? ? ? ? ? 129 ARG H CG 1 +ATOM 14901 C CD . ARG H 1 130 ? 39.820 84.563 114.018 1.00 20.75 ? ? ? ? ? ? 129 ARG H CD 1 +ATOM 14902 N NE . ARG H 1 130 ? 40.140 83.217 114.485 1.00 21.79 ? ? ? ? ? ? 129 ARG H NE 1 +ATOM 14903 C CZ . ARG H 1 130 ? 39.355 82.442 115.226 1.00 21.33 ? ? ? ? ? ? 129 ARG H CZ 1 +ATOM 14904 N NH1 . ARG H 1 130 ? 38.118 82.792 115.538 1.00 26.26 ? ? ? ? ? ? 129 ARG H NH1 1 +ATOM 14905 N NH2 . ARG H 1 130 ? 39.793 81.251 115.594 1.00 22.90 ? ? ? ? ? ? 129 ARG H NH2 1 +ATOM 14906 N N . ASP H 1 131 ? 40.647 90.039 114.239 1.00 18.98 ? ? ? ? ? ? 130 ASP H N 1 +ATOM 14907 C CA . ASP H 1 131 ? 40.884 91.218 113.410 1.00 19.13 ? ? ? ? ? ? 130 ASP H CA 1 +ATOM 14908 C C . ASP H 1 131 ? 41.773 92.217 114.110 1.00 19.58 ? ? ? ? ? ? 130 ASP H C 1 +ATOM 14909 O O . ASP H 1 131 ? 42.662 92.788 113.479 1.00 20.72 ? ? ? ? ? ? 130 ASP H O 1 +ATOM 14910 C CB . ASP H 1 131 ? 39.562 91.837 112.984 1.00 19.35 ? ? ? ? ? ? 130 ASP H CB 1 +ATOM 14911 C CG . ASP H 1 131 ? 38.833 91.002 111.913 1.00 23.83 ? ? ? ? ? ? 130 ASP H CG 1 +ATOM 14912 O OD1 . ASP H 1 131 ? 39.455 90.107 111.302 1.00 23.37 ? ? ? ? ? ? 130 ASP H OD1 1 +ATOM 14913 O OD2 . ASP H 1 131 ? 37.644 91.269 111.652 1.00 22.99 ? ? ? ? ? ? 130 ASP H OD2 1 +ATOM 14914 N N . LEU H 1 132 ? 41.585 92.394 115.420 1.00 19.48 ? ? ? ? ? ? 131 LEU H N 1 +ATOM 14915 C CA . LEU H 1 132 ? 42.471 93.256 116.186 1.00 19.99 ? ? ? ? ? ? 131 LEU H CA 1 +ATOM 14916 C C . LEU H 1 132 ? 43.870 92.659 116.426 1.00 20.45 ? ? ? ? ? ? 131 LEU H C 1 +ATOM 14917 O O . LEU H 1 132 ? 44.802 93.405 116.649 1.00 20.63 ? ? ? ? ? ? 131 LEU H O 1 +ATOM 14918 C CB . LEU H 1 132 ? 41.847 93.647 117.527 1.00 18.45 ? ? ? ? ? ? 131 LEU H CB 1 +ATOM 14919 C CG . LEU H 1 132 ? 40.692 94.638 117.477 1.00 22.43 ? ? ? ? ? ? 131 LEU H CG 1 +ATOM 14920 C CD1 . LEU H 1 132 ? 39.777 94.444 118.706 1.00 22.55 ? ? ? ? ? ? 131 LEU H CD1 1 +ATOM 14921 C CD2 . LEU H 1 132 ? 41.214 96.086 117.365 1.00 16.75 ? ? ? ? ? ? 131 LEU H CD2 1 +ATOM 14922 N N . ALA H 1 133 ? 44.014 91.329 116.398 1.00 21.22 ? ? ? ? ? ? 132 ALA H N 1 +ATOM 14923 C CA . ALA H 1 133 ? 45.352 90.717 116.537 1.00 21.75 ? ? ? ? ? ? 132 ALA H CA 1 +ATOM 14924 C C . ALA H 1 133 ? 46.275 91.111 115.407 1.00 21.89 ? ? ? ? ? ? 132 ALA H C 1 +ATOM 14925 O O . ALA H 1 133 ? 47.499 91.211 115.585 1.00 24.16 ? ? ? ? ? ? 132 ALA H O 1 +ATOM 14926 C CB . ALA H 1 133 ? 45.286 89.188 116.662 1.00 15.10 ? ? ? ? ? ? 132 ALA H CB 1 +ATOM 14927 N N . PHE H 1 134 ? 45.698 91.330 114.244 1.00 24.03 ? ? ? ? ? ? 133 PHE H N 1 +ATOM 14928 C CA . PHE H 1 134 ? 46.440 91.814 113.097 1.00 25.36 ? ? ? ? ? ? 133 PHE H CA 1 +ATOM 14929 C C . PHE H 1 134 ? 46.724 93.334 113.153 1.00 26.10 ? ? ? ? ? ? 133 PHE H C 1 +ATOM 14930 O O . PHE H 1 134 ? 47.798 93.749 112.785 1.00 27.04 ? ? ? ? ? ? 133 PHE H O 1 +ATOM 14931 C CB . PHE H 1 134 ? 45.706 91.378 111.810 1.00 26.68 ? ? ? ? ? ? 133 PHE H CB 1 +ATOM 14932 C CG . PHE H 1 134 ? 45.699 89.857 111.585 1.00 27.48 ? ? ? ? ? ? 133 PHE H CG 1 +ATOM 14933 C CD1 . PHE H 1 134 ? 46.888 89.132 111.562 1.00 26.74 ? ? ? ? ? ? 133 PHE H CD1 1 +ATOM 14934 C CD2 . PHE H 1 134 ? 44.509 89.172 111.393 1.00 26.73 ? ? ? ? ? ? 133 PHE H CD2 1 +ATOM 14935 C CE1 . PHE H 1 134 ? 46.878 87.744 111.355 1.00 27.62 ? ? ? ? ? ? 133 PHE H CE1 1 +ATOM 14936 C CE2 . PHE H 1 134 ? 44.488 87.804 111.187 1.00 23.32 ? ? ? ? ? ? 133 PHE H CE2 1 +ATOM 14937 C CZ . PHE H 1 134 ? 45.679 87.087 111.161 1.00 26.93 ? ? ? ? ? ? 133 PHE H CZ 1 +ATOM 14938 N N . GLU H 1 135 ? 45.802 94.152 113.677 1.00 26.97 ? ? ? ? ? ? 134 GLU H N 1 +ATOM 14939 C CA A GLU H 1 135 ? 46.008 95.610 113.816 0.50 26.64 ? ? ? ? ? ? 134 GLU H CA 1 +ATOM 14940 C CA B GLU H 1 135 ? 46.074 95.590 113.771 0.50 26.50 ? ? ? ? ? ? 134 GLU H CA 1 +ATOM 14941 C C . GLU H 1 135 ? 47.014 95.920 114.920 1.00 25.91 ? ? ? ? ? ? 134 GLU H C 1 +ATOM 14942 O O . GLU H 1 135 ? 47.833 96.827 114.787 1.00 25.03 ? ? ? ? ? ? 134 GLU H O 1 +ATOM 14943 C CB A GLU H 1 135 ? 44.705 96.350 114.179 0.50 26.46 ? ? ? ? ? ? 134 GLU H CB 1 +ATOM 14944 C CB B GLU H 1 135 ? 44.792 96.413 113.886 0.50 26.67 ? ? ? ? ? ? 134 GLU H CB 1 +ATOM 14945 C CG A GLU H 1 135 ? 43.545 96.245 113.190 0.50 32.72 ? ? ? ? ? ? 134 GLU H CG 1 +ATOM 14946 C CG B GLU H 1 135 ? 44.022 96.507 112.582 0.50 35.25 ? ? ? ? ? ? 134 GLU H CG 1 +ATOM 14947 C CD A GLU H 1 135 ? 42.329 97.112 113.578 0.50 30.04 ? ? ? ? ? ? 134 GLU H CD 1 +ATOM 14948 C CD B GLU H 1 135 ? 44.784 97.241 111.507 0.50 34.35 ? ? ? ? ? ? 134 GLU H CD 1 +ATOM 14949 O OE1 A GLU H 1 135 ? 42.502 98.292 113.978 0.50 30.62 ? ? ? ? ? ? 134 GLU H OE1 1 +ATOM 14950 O OE1 B GLU H 1 135 ? 45.055 98.440 111.701 0.50 35.49 ? ? ? ? ? ? 134 GLU H OE1 1 +ATOM 14951 O OE2 A GLU H 1 135 ? 41.192 96.608 113.467 0.50 34.08 ? ? ? ? ? ? 134 GLU H OE2 1 +ATOM 14952 O OE2 B GLU H 1 135 ? 45.110 96.617 110.472 0.50 41.32 ? ? ? ? ? ? 134 GLU H OE2 1 +ATOM 14953 N N . TYR H 1 136 ? 46.899 95.174 116.024 1.00 23.51 ? ? ? ? ? ? 135 TYR H N 1 +ATOM 14954 C CA . TYR H 1 136 ? 47.704 95.370 117.241 1.00 22.35 ? ? ? ? ? ? 135 TYR H CA 1 +ATOM 14955 C C . TYR H 1 136 ? 48.309 94.046 117.667 1.00 22.96 ? ? ? ? ? ? 135 TYR H C 1 +ATOM 14956 O O . TYR H 1 136 ? 47.814 93.387 118.590 1.00 20.80 ? ? ? ? ? ? 135 TYR H O 1 +ATOM 14957 C CB . TYR H 1 136 ? 46.862 95.918 118.393 1.00 22.24 ? ? ? ? ? ? 135 TYR H CB 1 +ATOM 14958 C CG . TYR H 1 136 ? 46.135 97.190 118.109 1.00 20.66 ? ? ? ? ? ? 135 TYR H CG 1 +ATOM 14959 C CD1 . TYR H 1 136 ? 46.713 98.415 118.409 1.00 23.59 ? ? ? ? ? ? 135 TYR H CD1 1 +ATOM 14960 C CD2 . TYR H 1 136 ? 44.863 97.181 117.532 1.00 21.02 ? ? ? ? ? ? 135 TYR H CD2 1 +ATOM 14961 C CE1 . TYR H 1 136 ? 46.048 99.600 118.168 1.00 23.84 ? ? ? ? ? ? 135 TYR H CE1 1 +ATOM 14962 C CE2 . TYR H 1 136 ? 44.191 98.376 117.264 1.00 22.65 ? ? ? ? ? ? 135 TYR H CE2 1 +ATOM 14963 C CZ . TYR H 1 136 ? 44.790 99.585 117.612 1.00 25.43 ? ? ? ? ? ? 135 TYR H CZ 1 +ATOM 14964 O OH . TYR H 1 136 ? 44.166 100.796 117.364 1.00 22.65 ? ? ? ? ? ? 135 TYR H OH 1 +ATOM 14965 N N . PRO H 1 137 ? 49.383 93.637 116.985 1.00 24.48 ? ? ? ? ? ? 136 PRO H N 1 +ATOM 14966 C CA . PRO H 1 137 ? 49.989 92.339 117.239 1.00 25.74 ? ? ? ? ? ? 136 PRO H CA 1 +ATOM 14967 C C . PRO H 1 137 ? 50.654 92.181 118.603 1.00 25.73 ? ? ? ? ? ? 136 PRO H C 1 +ATOM 14968 O O . PRO H 1 137 ? 50.895 91.068 119.030 1.00 26.79 ? ? ? ? ? ? 136 PRO H O 1 +ATOM 14969 C CB . PRO H 1 137 ? 51.021 92.202 116.104 1.00 26.88 ? ? ? ? ? ? 136 PRO H CB 1 +ATOM 14970 C CG . PRO H 1 137 ? 51.285 93.590 115.667 1.00 27.45 ? ? ? ? ? ? 136 PRO H CG 1 +ATOM 14971 C CD . PRO H 1 137 ? 50.028 94.349 115.875 1.00 25.30 ? ? ? ? ? ? 136 PRO H CD 1 +ATOM 14972 N N . ASP H 1 138 ? 50.943 93.286 119.265 1.00 25.73 ? ? ? ? ? ? 137 ASP H N 1 +ATOM 14973 C CA . ASP H 1 138 ? 51.561 93.272 120.589 1.00 25.93 ? ? ? ? ? ? 137 ASP H CA 1 +ATOM 14974 C C . ASP H 1 138 ? 50.537 93.388 121.721 1.00 24.19 ? ? ? ? ? ? 137 ASP H C 1 +ATOM 14975 O O . ASP H 1 138 ? 50.929 93.540 122.856 1.00 23.82 ? ? ? ? ? ? 137 ASP H O 1 +ATOM 14976 C CB . ASP H 1 138 ? 52.603 94.416 120.714 1.00 27.38 ? ? ? ? ? ? 137 ASP H CB 1 +ATOM 14977 C CG . ASP H 1 138 ? 51.987 95.826 120.508 1.00 31.96 ? ? ? ? ? ? 137 ASP H CG 1 +ATOM 14978 O OD1 . ASP H 1 138 ? 50.857 95.940 119.987 1.00 32.50 ? ? ? ? ? ? 137 ASP H OD1 1 +ATOM 14979 O OD2 . ASP H 1 138 ? 52.662 96.837 120.827 1.00 44.16 ? ? ? ? ? ? 137 ASP H OD2 1 +ATOM 14980 N N . PHE H 1 139 ? 49.244 93.296 121.425 1.00 23.38 ? ? ? ? ? ? 138 PHE H N 1 +ATOM 14981 C CA . PHE H 1 139 ? 48.162 93.583 122.400 1.00 21.14 ? ? ? ? ? ? 138 PHE H CA 1 +ATOM 14982 C C . PHE H 1 139 ? 47.361 92.328 122.517 1.00 20.70 ? ? ? ? ? ? 138 PHE H C 1 +ATOM 14983 O O . PHE H 1 139 ? 46.750 91.940 121.564 1.00 21.73 ? ? ? ? ? ? 138 PHE H O 1 +ATOM 14984 C CB . PHE H 1 139 ? 47.288 94.742 121.907 1.00 22.67 ? ? ? ? ? ? 138 PHE H CB 1 +ATOM 14985 C CG . PHE H 1 139 ? 46.350 95.322 122.950 1.00 21.53 ? ? ? ? ? ? 138 PHE H CG 1 +ATOM 14986 C CD1 . PHE H 1 139 ? 45.205 94.658 123.337 1.00 29.82 ? ? ? ? ? ? 138 PHE H CD1 1 +ATOM 14987 C CD2 . PHE H 1 139 ? 46.580 96.569 123.495 1.00 26.47 ? ? ? ? ? ? 138 PHE H CD2 1 +ATOM 14988 C CE1 . PHE H 1 139 ? 44.342 95.206 124.296 1.00 29.21 ? ? ? ? ? ? 138 PHE H CE1 1 +ATOM 14989 C CE2 . PHE H 1 139 ? 45.710 97.117 124.435 1.00 24.60 ? ? ? ? ? ? 138 PHE H CE2 1 +ATOM 14990 C CZ . PHE H 1 139 ? 44.603 96.436 124.835 1.00 23.62 ? ? ? ? ? ? 138 PHE H CZ 1 +ATOM 14991 N N . LEU H 1 140 ? 47.399 91.687 123.680 1.00 20.90 ? ? ? ? ? ? 139 LEU H N 1 +ATOM 14992 C CA . LEU H 1 140 ? 46.739 90.413 123.935 1.00 21.43 ? ? ? ? ? ? 139 LEU H CA 1 +ATOM 14993 C C . LEU H 1 140 ? 45.310 90.677 124.412 1.00 21.19 ? ? ? ? ? ? 139 LEU H C 1 +ATOM 14994 O O . LEU H 1 140 ? 45.108 91.365 125.402 1.00 21.52 ? ? ? ? ? ? 139 LEU H O 1 +ATOM 14995 C CB . LEU H 1 140 ? 47.501 89.592 124.994 1.00 20.76 ? ? ? ? ? ? 139 LEU H CB 1 +ATOM 14996 C CG . LEU H 1 140 ? 46.877 88.272 125.527 1.00 23.38 ? ? ? ? ? ? 139 LEU H CG 1 +ATOM 14997 C CD1 . LEU H 1 140 ? 46.673 87.255 124.410 1.00 21.85 ? ? ? ? ? ? 139 LEU H CD1 1 +ATOM 14998 C CD2 . LEU H 1 140 ? 47.655 87.676 126.690 1.00 18.70 ? ? ? ? ? ? 139 LEU H CD2 1 +ATOM 14999 N N . ILE H 1 141 ? 44.337 90.133 123.685 1.00 19.88 ? ? ? ? ? ? 140 ILE H N 1 +ATOM 15000 C CA . ILE H 1 141 ? 42.920 90.227 124.074 1.00 19.27 ? ? ? ? ? ? 140 ILE H CA 1 +ATOM 15001 C C . ILE H 1 141 ? 42.424 88.795 124.271 1.00 19.28 ? ? ? ? ? ? 140 ILE H C 1 +ATOM 15002 O O . ILE H 1 141 ? 42.576 87.980 123.368 1.00 18.70 ? ? ? ? ? ? 140 ILE H O 1 +ATOM 15003 C CB . ILE H 1 141 ? 42.034 90.981 123.035 1.00 17.61 ? ? ? ? ? ? 140 ILE H CB 1 +ATOM 15004 C CG1 . ILE H 1 141 ? 42.700 92.306 122.609 1.00 19.20 ? ? ? ? ? ? 140 ILE H CG1 1 +ATOM 15005 C CG2 . ILE H 1 141 ? 40.603 91.215 123.631 1.00 18.13 ? ? ? ? ? ? 140 ILE H CG2 1 +ATOM 15006 C CD1 . ILE H 1 141 ? 41.945 93.161 121.558 1.00 13.96 ? ? ? ? ? ? 140 ILE H CD1 1 +ATOM 15007 N N . ALA H 1 142 ? 41.920 88.505 125.481 1.00 19.02 ? ? ? ? ? ? 141 ALA H N 1 +ATOM 15008 C CA . ALA H 1 142 ? 41.184 87.279 125.796 1.00 18.47 ? ? ? ? ? ? 141 ALA H CA 1 +ATOM 15009 C C . ALA H 1 142 ? 39.702 87.600 126.059 1.00 18.20 ? ? ? ? ? ? 141 ALA H C 1 +ATOM 15010 O O . ALA H 1 142 ? 39.359 88.739 126.415 1.00 18.42 ? ? ? ? ? ? 141 ALA H O 1 +ATOM 15011 C CB . ALA H 1 142 ? 41.796 86.621 127.015 1.00 14.37 ? ? ? ? ? ? 141 ALA H CB 1 +ATOM 15012 N N . ALA H 1 143 ? 38.828 86.610 125.873 1.00 17.58 ? ? ? ? ? ? 142 ALA H N 1 +ATOM 15013 C CA . ALA H 1 143 ? 37.395 86.779 126.135 1.00 18.11 ? ? ? ? ? ? 142 ALA H CA 1 +ATOM 15014 C C . ALA H 1 143 ? 36.858 85.591 126.897 1.00 19.00 ? ? ? ? ? ? 142 ALA H C 1 +ATOM 15015 O O . ALA H 1 143 ? 37.230 84.462 126.613 1.00 18.82 ? ? ? ? ? ? 142 ALA H O 1 +ATOM 15016 C CB . ALA H 1 143 ? 36.582 86.951 124.811 1.00 15.67 ? ? ? ? ? ? 142 ALA H CB 1 +ATOM 15017 N N . ALA H 1 144 ? 35.957 85.856 127.850 1.00 19.83 ? ? ? ? ? ? 143 ALA H N 1 +ATOM 15018 C CA . ALA H 1 144 ? 35.194 84.802 128.534 1.00 20.41 ? ? ? ? ? ? 143 ALA H CA 1 +ATOM 15019 C C . ALA H 1 144 ? 33.802 85.306 128.940 1.00 20.51 ? ? ? ? ? ? 143 ALA H C 1 +ATOM 15020 O O . ALA H 1 144 ? 33.627 86.497 129.240 1.00 19.48 ? ? ? ? ? ? 143 ALA H O 1 +ATOM 15021 C CB . ALA H 1 144 ? 35.921 84.361 129.739 1.00 18.34 ? ? ? ? ? ? 143 ALA H CB 1 +ATOM 15022 N N . ASN H 1 145 ? 32.829 84.396 128.931 1.00 20.52 ? ? ? ? ? ? 144 ASN H N 1 +ATOM 15023 C CA . ASN H 1 145 ? 31.575 84.567 129.646 1.00 21.58 ? ? ? ? ? ? 144 ASN H CA 1 +ATOM 15024 C C . ASN H 1 145 ? 31.791 84.163 131.121 1.00 21.22 ? ? ? ? ? ? 144 ASN H C 1 +ATOM 15025 O O . ASN H 1 145 ? 32.278 83.067 131.403 1.00 20.90 ? ? ? ? ? ? 144 ASN H O 1 +ATOM 15026 C CB . ASN H 1 145 ? 30.481 83.686 129.034 1.00 21.37 ? ? ? ? ? ? 144 ASN H CB 1 +ATOM 15027 C CG . ASN H 1 145 ? 30.013 84.167 127.689 1.00 27.59 ? ? ? ? ? ? 144 ASN H CG 1 +ATOM 15028 O OD1 . ASN H 1 145 ? 29.670 85.332 127.522 1.00 28.33 ? ? ? ? ? ? 144 ASN H OD1 1 +ATOM 15029 N ND2 . ASN H 1 145 ? 29.970 83.260 126.712 1.00 21.63 ? ? ? ? ? ? 144 ASN H ND2 1 +ATOM 15030 N N . TRP H 1 146 ? 31.434 85.033 132.062 1.00 19.84 ? ? ? ? ? ? 145 TRP H N 1 +ATOM 15031 C CA . TRP H 1 146 ? 31.717 84.731 133.486 1.00 20.54 ? ? ? ? ? ? 145 TRP H CA 1 +ATOM 15032 C C . TRP H 1 146 ? 31.049 83.407 133.911 1.00 20.40 ? ? ? ? ? ? 145 TRP H C 1 +ATOM 15033 O O . TRP H 1 146 ? 31.604 82.652 134.696 1.00 20.49 ? ? ? ? ? ? 145 TRP H O 1 +ATOM 15034 C CB . TRP H 1 146 ? 31.294 85.907 134.413 1.00 19.15 ? ? ? ? ? ? 145 TRP H CB 1 +ATOM 15035 C CG . TRP H 1 146 ? 29.825 86.093 134.532 1.00 17.52 ? ? ? ? ? ? 145 TRP H CG 1 +ATOM 15036 C CD1 . TRP H 1 146 ? 29.053 86.942 133.822 1.00 18.78 ? ? ? ? ? ? 145 TRP H CD1 1 +ATOM 15037 C CD2 . TRP H 1 146 ? 28.951 85.401 135.433 1.00 18.09 ? ? ? ? ? ? 145 TRP H CD2 1 +ATOM 15038 N NE1 . TRP H 1 146 ? 27.734 86.820 134.211 1.00 20.44 ? ? ? ? ? ? 145 TRP H NE1 1 +ATOM 15039 C CE2 . TRP H 1 146 ? 27.656 85.883 135.209 1.00 16.93 ? ? ? ? ? ? 145 TRP H CE2 1 +ATOM 15040 C CE3 . TRP H 1 146 ? 29.150 84.404 136.402 1.00 20.76 ? ? ? ? ? ? 145 TRP H CE3 1 +ATOM 15041 C CZ2 . TRP H 1 146 ? 26.555 85.399 135.903 1.00 19.61 ? ? ? ? ? ? 145 TRP H CZ2 1 +ATOM 15042 C CZ3 . TRP H 1 146 ? 28.104 83.967 137.113 1.00 19.25 ? ? ? ? ? ? 145 TRP H CZ3 1 +ATOM 15043 C CH2 . TRP H 1 146 ? 26.787 84.448 136.853 1.00 23.16 ? ? ? ? ? ? 145 TRP H CH2 1 +ATOM 15044 N N . PHE H 1 147 ? 29.863 83.144 133.354 1.00 21.57 ? ? ? ? ? ? 146 PHE H N 1 +ATOM 15045 C CA . PHE H 1 147 ? 29.025 82.001 133.716 1.00 21.20 ? ? ? ? ? ? 146 PHE H CA 1 +ATOM 15046 C C . PHE H 1 147 ? 29.453 80.721 132.994 1.00 21.89 ? ? ? ? ? ? 146 PHE H C 1 +ATOM 15047 O O . PHE H 1 147 ? 28.776 79.693 133.124 1.00 23.29 ? ? ? ? ? ? 146 PHE H O 1 +ATOM 15048 C CB . PHE H 1 147 ? 27.535 82.283 133.404 1.00 21.88 ? ? ? ? ? ? 146 PHE H CB 1 +ATOM 15049 C CG . PHE H 1 147 ? 27.302 82.746 132.006 1.00 23.43 ? ? ? ? ? ? 146 PHE H CG 1 +ATOM 15050 C CD1 . PHE H 1 147 ? 27.176 81.828 130.965 1.00 24.59 ? ? ? ? ? ? 146 PHE H CD1 1 +ATOM 15051 C CD2 . PHE H 1 147 ? 27.225 84.110 131.717 1.00 25.09 ? ? ? ? ? ? 146 PHE H CD2 1 +ATOM 15052 C CE1 . PHE H 1 147 ? 26.988 82.265 129.641 1.00 26.21 ? ? ? ? ? ? 146 PHE H CE1 1 +ATOM 15053 C CE2 . PHE H 1 147 ? 27.062 84.544 130.405 1.00 26.24 ? ? ? ? ? ? 146 PHE H CE2 1 +ATOM 15054 C CZ . PHE H 1 147 ? 26.934 83.615 129.367 1.00 26.07 ? ? ? ? ? ? 146 PHE H CZ 1 +ATOM 15055 N N . GLU H 1 148 ? 30.535 80.795 132.218 1.00 21.71 ? ? ? ? ? ? 147 GLU H N 1 +ATOM 15056 C CA . GLU H 1 148 ? 31.164 79.604 131.629 1.00 21.71 ? ? ? ? ? ? 147 GLU H CA 1 +ATOM 15057 C C . GLU H 1 148 ? 32.500 79.291 132.283 1.00 22.19 ? ? ? ? ? ? 147 GLU H C 1 +ATOM 15058 O O . GLU H 1 148 ? 33.022 78.226 132.048 1.00 23.81 ? ? ? ? ? ? 147 GLU H O 1 +ATOM 15059 C CB . GLU H 1 148 ? 31.355 79.763 130.114 1.00 21.38 ? ? ? ? ? ? 147 GLU H CB 1 +ATOM 15060 C CG . GLU H 1 148 ? 30.087 79.599 129.314 1.00 20.15 ? ? ? ? ? ? 147 GLU H CG 1 +ATOM 15061 C CD . GLU H 1 148 ? 30.198 79.994 127.845 1.00 25.90 ? ? ? ? ? ? 147 GLU H CD 1 +ATOM 15062 O OE1 . GLU H 1 148 ? 31.208 80.622 127.405 1.00 25.41 ? ? ? ? ? ? 147 GLU H OE1 1 +ATOM 15063 O OE2 . GLU H 1 148 ? 29.225 79.698 127.127 1.00 30.73 ? ? ? ? ? ? 147 GLU H OE2 1 +ATOM 15064 N N . VAL H 1 149 ? 33.029 80.171 133.147 1.00 23.10 ? ? ? ? ? ? 148 VAL H N 1 +ATOM 15065 C CA . VAL H 1 149 ? 34.295 79.878 133.883 1.00 22.46 ? ? ? ? ? ? 148 VAL H CA 1 +ATOM 15066 C C . VAL H 1 149 ? 34.153 78.586 134.769 1.00 24.03 ? ? ? ? ? ? 148 VAL H C 1 +ATOM 15067 O O . VAL H 1 149 ? 35.074 77.763 134.854 1.00 22.14 ? ? ? ? ? ? 148 VAL H O 1 +ATOM 15068 C CB . VAL H 1 149 ? 34.737 81.119 134.750 1.00 23.93 ? ? ? ? ? ? 148 VAL H CB 1 +ATOM 15069 C CG1 . VAL H 1 149 ? 35.982 80.822 135.574 1.00 19.78 ? ? ? ? ? ? 148 VAL H CG1 1 +ATOM 15070 C CG2 . VAL H 1 149 ? 34.957 82.383 133.872 1.00 19.14 ? ? ? ? ? ? 148 VAL H CG2 1 +ATOM 15071 N N . VAL H 1 150 ? 32.987 78.457 135.429 1.00 23.11 ? ? ? ? ? ? 149 VAL H N 1 +ATOM 15072 C CA . VAL H 1 150 ? 32.600 77.261 136.201 1.00 22.93 ? ? ? ? ? ? 149 VAL H CA 1 +ATOM 15073 C C . VAL H 1 150 ? 31.179 76.968 135.771 1.00 24.01 ? ? ? ? ? ? 149 VAL H C 1 +ATOM 15074 O O . VAL H 1 150 ? 30.348 77.879 135.733 1.00 23.56 ? ? ? ? ? ? 149 VAL H O 1 +ATOM 15075 C CB . VAL H 1 150 ? 32.679 77.527 137.725 1.00 21.96 ? ? ? ? ? ? 149 VAL H CB 1 +ATOM 15076 C CG1 . VAL H 1 150 ? 32.139 76.327 138.566 1.00 22.17 ? ? ? ? ? ? 149 VAL H CG1 1 +ATOM 15077 C CG2 . VAL H 1 150 ? 34.107 77.874 138.098 1.00 19.54 ? ? ? ? ? ? 149 VAL H CG2 1 +ATOM 15078 N N . SER H 1 151 ? 30.908 75.721 135.411 1.00 26.75 ? ? ? ? ? ? 150 SER H N 1 +ATOM 15079 C CA . SER H 1 151 ? 29.563 75.310 135.010 1.00 29.02 ? ? ? ? ? ? 150 SER H CA 1 +ATOM 15080 C C . SER H 1 151 ? 28.587 75.495 136.149 1.00 29.38 ? ? ? ? ? ? 150 SER H C 1 +ATOM 15081 O O . SER H 1 151 ? 28.899 75.174 137.275 1.00 30.03 ? ? ? ? ? ? 150 SER H O 1 +ATOM 15082 C CB . SER H 1 151 ? 29.525 73.858 134.572 1.00 29.54 ? ? ? ? ? ? 150 SER H CB 1 +ATOM 15083 O OG . SER H 1 151 ? 28.209 73.557 134.155 1.00 33.73 ? ? ? ? ? ? 150 SER H OG 1 +ATOM 15084 N N . PRO H 1 152 ? 27.406 76.045 135.868 1.00 31.35 ? ? ? ? ? ? 151 PRO H N 1 +ATOM 15085 C CA . PRO H 1 152 ? 26.417 76.168 136.921 1.00 32.57 ? ? ? ? ? ? 151 PRO H CA 1 +ATOM 15086 C C . PRO H 1 152 ? 25.699 74.907 137.239 1.00 34.01 ? ? ? ? ? ? 151 PRO H C 1 +ATOM 15087 O O . PRO H 1 152 ? 25.028 74.846 138.265 1.00 34.08 ? ? ? ? ? ? 151 PRO H O 1 +ATOM 15088 C CB . PRO H 1 152 ? 25.410 77.166 136.343 1.00 32.55 ? ? ? ? ? ? 151 PRO H CB 1 +ATOM 15089 C CG . PRO H 1 152 ? 25.515 76.962 134.826 1.00 33.12 ? ? ? ? ? ? 151 PRO H CG 1 +ATOM 15090 C CD . PRO H 1 152 ? 26.942 76.638 134.593 1.00 31.92 ? ? ? ? ? ? 151 PRO H CD 1 +ATOM 15091 N N A LYS H 1 153 ? 25.818 73.901 136.367 0.50 30.93 ? ? ? ? ? ? 152 LYS H N 1 +ATOM 15092 N N B LYS H 1 153 ? 25.825 73.919 136.366 0.50 33.20 ? ? ? ? ? ? 152 LYS H N 1 +ATOM 15093 C CA A LYS H 1 153 ? 25.038 72.642 136.476 0.50 30.04 ? ? ? ? ? ? 152 LYS H CA 1 +ATOM 15094 C CA B LYS H 1 153 ? 25.229 72.617 136.609 0.50 33.70 ? ? ? ? ? ? 152 LYS H CA 1 +ATOM 15095 C C A LYS H 1 153 ? 25.012 72.022 137.872 0.50 26.39 ? ? ? ? ? ? 152 LYS H C 1 +ATOM 15096 C C B LYS H 1 153 ? 25.955 72.027 137.820 0.50 31.91 ? ? ? ? ? ? 152 LYS H C 1 +ATOM 15097 O O A LYS H 1 153 ? 23.967 71.536 138.313 0.50 23.74 ? ? ? ? ? ? 152 LYS H O 1 +ATOM 15098 O O B LYS H 1 153 ? 27.182 71.959 137.861 0.50 32.65 ? ? ? ? ? ? 152 LYS H O 1 +ATOM 15099 C CB A LYS H 1 153 ? 25.536 71.590 135.462 0.50 29.23 ? ? ? ? ? ? 152 LYS H CB 1 +ATOM 15100 C CB B LYS H 1 153 ? 25.325 71.759 135.337 0.50 33.84 ? ? ? ? ? ? 152 LYS H CB 1 +ATOM 15101 C CG A LYS H 1 153 ? 24.819 71.638 134.099 0.50 33.74 ? ? ? ? ? ? 152 LYS H CG 1 +ATOM 15102 C CG B LYS H 1 153 ? 24.574 72.409 134.127 0.50 33.67 ? ? ? ? ? ? 152 LYS H CG 1 +ATOM 15103 C CD A LYS H 1 153 ? 25.145 70.413 133.235 0.50 32.39 ? ? ? ? ? ? 152 LYS H CD 1 +ATOM 15104 C CD B LYS H 1 153 ? 25.108 71.952 132.770 0.50 35.51 ? ? ? ? ? ? 152 LYS H CD 1 +ATOM 15105 C CE A LYS H 1 153 ? 23.908 69.847 132.544 0.50 39.22 ? ? ? ? ? ? 152 LYS H CE 1 +ATOM 15106 C CE B LYS H 1 153 ? 24.593 72.853 131.619 0.50 40.45 ? ? ? ? ? ? 152 LYS H CE 1 +ATOM 15107 N NZ A LYS H 1 153 ? 23.105 70.885 131.810 0.50 38.53 ? ? ? ? ? ? 152 LYS H NZ 1 +ATOM 15108 N NZ B LYS H 1 153 ? 23.120 72.714 131.372 0.50 38.49 ? ? ? ? ? ? 152 LYS H NZ 1 +ATOM 15109 N N A GLY H 1 154 ? 26.159 72.047 138.551 0.50 25.30 ? ? ? ? ? ? 153 GLY H N 1 +ATOM 15110 N N B GLY H 1 154 ? 25.196 71.685 138.849 0.50 30.24 ? ? ? ? ? ? 153 GLY H N 1 +ATOM 15111 C CA A GLY H 1 154 ? 26.282 71.438 139.868 0.50 26.52 ? ? ? ? ? ? 153 GLY H CA 1 +ATOM 15112 C CA B GLY H 1 154 ? 25.814 71.261 140.095 0.50 30.01 ? ? ? ? ? ? 153 GLY H CA 1 +ATOM 15113 C C A GLY H 1 154 ? 26.202 72.388 141.053 0.50 26.30 ? ? ? ? ? ? 153 GLY H C 1 +ATOM 15114 C C B GLY H 1 154 ? 25.793 72.304 141.194 0.50 28.08 ? ? ? ? ? ? 153 GLY H C 1 +ATOM 15115 O O A GLY H 1 154 ? 26.709 72.057 142.108 0.50 26.56 ? ? ? ? ? ? 153 GLY H O 1 +ATOM 15116 O O B GLY H 1 154 ? 25.887 71.954 142.354 0.50 28.61 ? ? ? ? ? ? 153 GLY H O 1 +ATOM 15117 N N . TYR H 1 155 ? 25.624 73.578 140.842 1.00 28.42 ? ? ? ? ? ? 154 TYR H N 1 +ATOM 15118 C CA . TYR H 1 155 ? 25.470 74.640 141.851 1.00 26.26 ? ? ? ? ? ? 154 TYR H CA 1 +ATOM 15119 C C . TYR H 1 155 ? 23.994 75.048 142.033 1.00 24.85 ? ? ? ? ? ? 154 TYR H C 1 +ATOM 15120 O O . TYR H 1 155 ? 23.639 75.689 143.029 1.00 26.08 ? ? ? ? ? ? 154 TYR H O 1 +ATOM 15121 C CB . TYR H 1 155 ? 26.339 75.867 141.467 1.00 24.77 ? ? ? ? ? ? 154 TYR H CB 1 +ATOM 15122 C CG . TYR H 1 155 ? 27.806 75.631 141.706 1.00 22.24 ? ? ? ? ? ? 154 TYR H CG 1 +ATOM 15123 C CD1 . TYR H 1 155 ? 28.398 75.967 142.919 1.00 20.58 ? ? ? ? ? ? 154 TYR H CD1 1 +ATOM 15124 C CD2 . TYR H 1 155 ? 28.595 75.011 140.744 1.00 24.87 ? ? ? ? ? ? 154 TYR H CD2 1 +ATOM 15125 C CE1 . TYR H 1 155 ? 29.713 75.720 143.153 1.00 21.46 ? ? ? ? ? ? 154 TYR H CE1 1 +ATOM 15126 C CE2 . TYR H 1 155 ? 29.950 74.734 140.983 1.00 22.18 ? ? ? ? ? ? 154 TYR H CE2 1 +ATOM 15127 C CZ . TYR H 1 155 ? 30.497 75.095 142.178 1.00 22.84 ? ? ? ? ? ? 154 TYR H CZ 1 +ATOM 15128 O OH . TYR H 1 155 ? 31.844 74.840 142.394 1.00 24.04 ? ? ? ? ? ? 154 TYR H OH 1 +ATOM 15129 N N . PHE H 1 156 ? 23.153 74.674 141.074 1.00 24.84 ? ? ? ? ? ? 155 PHE H N 1 +ATOM 15130 C CA . PHE H 1 156 ? 21.735 75.081 141.024 1.00 26.52 ? ? ? ? ? ? 155 PHE H CA 1 +ATOM 15131 C C . PHE H 1 156 ? 20.843 73.908 140.690 1.00 29.16 ? ? ? ? ? ? 155 PHE H C 1 +ATOM 15132 O O . PHE H 1 156 ? 21.294 72.964 140.057 1.00 31.03 ? ? ? ? ? ? 155 PHE H O 1 +ATOM 15133 C CB . PHE H 1 156 ? 21.558 76.210 139.991 1.00 25.31 ? ? ? ? ? ? 155 PHE H CB 1 +ATOM 15134 C CG . PHE H 1 156 ? 22.431 77.355 140.276 1.00 22.60 ? ? ? ? ? ? 155 PHE H CG 1 +ATOM 15135 C CD1 . PHE H 1 156 ? 22.187 78.167 141.393 1.00 19.63 ? ? ? ? ? ? 155 PHE H CD1 1 +ATOM 15136 C CD2 . PHE H 1 156 ? 23.583 77.559 139.543 1.00 24.54 ? ? ? ? ? ? 155 PHE H CD2 1 +ATOM 15137 C CE1 . PHE H 1 156 ? 23.070 79.200 141.749 1.00 17.09 ? ? ? ? ? ? 155 PHE H CE1 1 +ATOM 15138 C CE2 . PHE H 1 156 ? 24.451 78.597 139.873 1.00 22.16 ? ? ? ? ? ? 155 PHE H CE2 1 +ATOM 15139 C CZ . PHE H 1 156 ? 24.188 79.416 140.977 1.00 22.34 ? ? ? ? ? ? 155 PHE H CZ 1 +ATOM 15140 N N . GLU H 1 157 ? 19.586 73.971 141.125 1.00 31.23 ? ? ? ? ? ? 156 GLU H N 1 +ATOM 15141 C CA . GLU H 1 157 ? 18.645 72.852 141.012 1.00 29.45 ? ? ? ? ? ? 156 GLU H CA 1 +ATOM 15142 C C . GLU H 1 157 ? 17.892 72.817 139.679 1.00 33.70 ? ? ? ? ? ? 156 GLU H C 1 +ATOM 15143 O O . GLU H 1 157 ? 17.768 71.763 139.081 1.00 34.51 ? ? ? ? ? ? 156 GLU H O 1 +ATOM 15144 C CB . GLU H 1 157 ? 17.641 72.864 142.176 1.00 27.85 ? ? ? ? ? ? 156 GLU H CB 1 +ATOM 15145 C CG . GLU H 1 157 ? 18.294 72.551 143.549 1.00 28.21 ? ? ? ? ? ? 156 GLU H CG 1 +ATOM 15146 C CD . GLU H 1 157 ? 17.351 72.765 144.740 1.00 26.93 ? ? ? ? ? ? 156 GLU H CD 1 +ATOM 15147 O OE1 . GLU H 1 157 ? 16.461 71.922 144.959 1.00 36.81 ? ? ? ? ? ? 156 GLU H OE1 1 +ATOM 15148 O OE2 . GLU H 1 157 ? 17.530 73.758 145.478 1.00 35.00 ? ? ? ? ? ? 156 GLU H OE2 1 +ATOM 15149 N N . ALA H 1 158 ? 17.392 73.960 139.222 1.00 34.62 ? ? ? ? ? ? 157 ALA H N 1 +ATOM 15150 C CA . ALA H 1 158 ? 16.613 74.018 137.983 1.00 34.66 ? ? ? ? ? ? 157 ALA H CA 1 +ATOM 15151 C C . ALA H 1 158 ? 17.431 73.455 136.807 1.00 35.60 ? ? ? ? ? ? 157 ALA H C 1 +ATOM 15152 O O . ALA H 1 158 ? 18.599 73.803 136.615 1.00 35.34 ? ? ? ? ? ? 157 ALA H O 1 +ATOM 15153 C CB . ALA H 1 158 ? 16.153 75.441 137.692 1.00 33.36 ? ? ? ? ? ? 157 ALA H CB 1 +ATOM 15154 N N . GLU H 1 159 ? 16.805 72.567 136.046 1.00 37.64 ? ? ? ? ? ? 158 GLU H N 1 +ATOM 15155 C CA . GLU H 1 159 ? 17.467 71.902 134.910 1.00 41.02 ? ? ? ? ? ? 158 GLU H CA 1 +ATOM 15156 C C . GLU H 1 159 ? 17.602 72.852 133.730 1.00 37.86 ? ? ? ? ? ? 158 GLU H C 1 +ATOM 15157 O O . GLU H 1 159 ? 18.652 72.907 133.121 1.00 38.18 ? ? ? ? ? ? 158 GLU H O 1 +ATOM 15158 C CB . GLU H 1 159 ? 16.738 70.602 134.508 1.00 41.35 ? ? ? ? ? ? 158 GLU H CB 1 +ATOM 15159 C CG . GLU H 1 159 ? 17.405 69.322 135.081 1.00 48.71 ? ? ? ? ? ? 158 GLU H CG 1 +ATOM 15160 C CD . GLU H 1 159 ? 16.470 68.083 135.099 1.00 49.17 ? ? ? ? ? ? 158 GLU H CD 1 +ATOM 15161 O OE1 . GLU H 1 159 ? 15.426 68.093 134.394 1.00 62.60 ? ? ? ? ? ? 158 GLU H OE1 1 +ATOM 15162 O OE2 . GLU H 1 159 ? 16.784 67.103 135.826 1.00 53.32 ? ? ? ? ? ? 158 GLU H OE2 1 +ATOM 15163 N N . ILE H 1 160 ? 16.540 73.594 133.425 1.00 35.29 ? ? ? ? ? ? 159 ILE H N 1 +ATOM 15164 C CA . ILE H 1 160 ? 16.611 74.706 132.486 1.00 34.05 ? ? ? ? ? ? 159 ILE H CA 1 +ATOM 15165 C C . ILE H 1 160 ? 16.961 75.986 133.235 1.00 32.50 ? ? ? ? ? ? 159 ILE H C 1 +ATOM 15166 O O . ILE H 1 160 ? 16.244 76.384 134.164 1.00 30.50 ? ? ? ? ? ? 159 ILE H O 1 +ATOM 15167 C CB . ILE H 1 160 ? 15.280 74.907 131.743 1.00 34.83 ? ? ? ? ? ? 159 ILE H CB 1 +ATOM 15168 C CG1 . ILE H 1 160 ? 14.898 73.638 130.972 1.00 35.46 ? ? ? ? ? ? 159 ILE H CG1 1 +ATOM 15169 C CG2 . ILE H 1 160 ? 15.356 76.113 130.780 1.00 31.72 ? ? ? ? ? ? 159 ILE H CG2 1 +ATOM 15170 C CD1 . ILE H 1 160 ? 13.434 73.688 130.484 1.00 36.16 ? ? ? ? ? ? 159 ILE H CD1 1 +ATOM 15171 N N . ASP H 1 161 ? 18.027 76.646 132.785 1.00 31.16 ? ? ? ? ? ? 160 ASP H N 1 +ATOM 15172 C CA . ASP H 1 161 ? 18.600 77.790 133.476 1.00 32.45 ? ? ? ? ? ? 160 ASP H CA 1 +ATOM 15173 C C . ASP H 1 161 ? 19.472 78.593 132.508 1.00 31.89 ? ? ? ? ? ? 160 ASP H C 1 +ATOM 15174 O O . ASP H 1 161 ? 20.679 78.643 132.688 1.00 32.70 ? ? ? ? ? ? 160 ASP H O 1 +ATOM 15175 C CB . ASP H 1 161 ? 19.416 77.266 134.682 1.00 32.48 ? ? ? ? ? ? 160 ASP H CB 1 +ATOM 15176 C CG . ASP H 1 161 ? 19.928 78.368 135.597 1.00 34.95 ? ? ? ? ? ? 160 ASP H CG 1 +ATOM 15177 O OD1 . ASP H 1 161 ? 19.294 79.428 135.654 1.00 36.84 ? ? ? ? ? ? 160 ASP H OD1 1 +ATOM 15178 O OD2 . ASP H 1 161 ? 20.978 78.175 136.263 1.00 39.38 ? ? ? ? ? ? 160 ASP H OD2 1 +ATOM 15179 N N . ASP H 1 162 ? 18.862 79.212 131.486 1.00 31.47 ? ? ? ? ? ? 161 ASP H N 1 +ATOM 15180 C CA . ASP H 1 162 ? 19.616 79.911 130.409 1.00 30.55 ? ? ? ? ? ? 161 ASP H CA 1 +ATOM 15181 C C . ASP H 1 162 ? 19.640 81.429 130.517 1.00 29.62 ? ? ? ? ? ? 161 ASP H C 1 +ATOM 15182 O O . ASP H 1 162 ? 20.643 82.042 130.129 1.00 30.54 ? ? ? ? ? ? 161 ASP H O 1 +ATOM 15183 C CB . ASP H 1 162 ? 19.080 79.527 129.026 1.00 30.62 ? ? ? ? ? ? 161 ASP H CB 1 +ATOM 15184 C CG . ASP H 1 162 ? 19.352 78.072 128.683 1.00 37.02 ? ? ? ? ? ? 161 ASP H CG 1 +ATOM 15185 O OD1 . ASP H 1 162 ? 20.422 77.530 129.091 1.00 44.87 ? ? ? ? ? ? 161 ASP H OD1 1 +ATOM 15186 O OD2 . ASP H 1 162 ? 18.491 77.464 128.012 1.00 46.73 ? ? ? ? ? ? 161 ASP H OD2 1 +ATOM 15187 N N . HIS H 1 163 ? 18.560 82.032 131.029 1.00 26.08 ? ? ? ? ? ? 162 HIS H N 1 +ATOM 15188 C CA . HIS H 1 163 ? 18.455 83.498 131.091 1.00 23.60 ? ? ? ? ? ? 162 HIS H CA 1 +ATOM 15189 C C . HIS H 1 163 ? 17.517 83.913 132.207 1.00 22.21 ? ? ? ? ? ? 162 HIS H C 1 +ATOM 15190 O O . HIS H 1 163 ? 16.326 83.566 132.191 1.00 20.57 ? ? ? ? ? ? 162 HIS H O 1 +ATOM 15191 C CB . HIS H 1 163 ? 17.949 84.052 129.746 1.00 24.29 ? ? ? ? ? ? 162 HIS H CB 1 +ATOM 15192 C CG . HIS H 1 163 ? 17.663 85.525 129.755 1.00 22.64 ? ? ? ? ? ? 162 HIS H CG 1 +ATOM 15193 N ND1 . HIS H 1 163 ? 18.655 86.474 129.749 1.00 23.31 ? ? ? ? ? ? 162 HIS H ND1 1 +ATOM 15194 C CD2 . HIS H 1 163 ? 16.496 86.208 129.752 1.00 22.87 ? ? ? ? ? ? 162 HIS H CD2 1 +ATOM 15195 C CE1 . HIS H 1 163 ? 18.115 87.677 129.730 1.00 26.62 ? ? ? ? ? ? 162 HIS H CE1 1 +ATOM 15196 N NE2 . HIS H 1 163 ? 16.806 87.547 129.734 1.00 18.61 ? ? ? ? ? ? 162 HIS H NE2 1 +ATOM 15197 N N . ALA H 1 164 ? 18.057 84.658 133.176 1.00 21.40 ? ? ? ? ? ? 163 ALA H N 1 +ATOM 15198 C CA . ALA H 1 164 ? 17.299 85.197 134.312 1.00 21.70 ? ? ? ? ? ? 163 ALA H CA 1 +ATOM 15199 C C . ALA H 1 164 ? 16.718 84.087 135.143 1.00 23.22 ? ? ? ? ? ? 163 ALA H C 1 +ATOM 15200 O O . ALA H 1 164 ? 15.675 84.255 135.753 1.00 23.42 ? ? ? ? ? ? 163 ALA H O 1 +ATOM 15201 C CB . ALA H 1 164 ? 16.197 86.102 133.838 1.00 19.22 ? ? ? ? ? ? 163 ALA H CB 1 +ATOM 15202 N N . GLY H 1 165 ? 17.397 82.951 135.167 1.00 23.45 ? ? ? ? ? ? 164 GLY H N 1 +ATOM 15203 C CA . GLY H 1 165 ? 16.941 81.799 135.918 1.00 23.79 ? ? ? ? ? ? 164 GLY H CA 1 +ATOM 15204 C C . GLY H 1 165 ? 17.572 81.731 137.296 1.00 23.50 ? ? ? ? ? ? 164 GLY H C 1 +ATOM 15205 O O . GLY H 1 165 ? 17.958 82.761 137.879 1.00 23.62 ? ? ? ? ? ? 164 GLY H O 1 +ATOM 15206 N N . GLU H 1 166 ? 17.723 80.504 137.788 1.00 22.89 ? ? ? ? ? ? 165 GLU H N 1 +ATOM 15207 C CA . GLU H 1 166 ? 18.211 80.247 139.136 1.00 22.88 ? ? ? ? ? ? 165 GLU H CA 1 +ATOM 15208 C C . GLU H 1 166 ? 19.639 80.751 139.365 1.00 22.22 ? ? ? ? ? ? 165 GLU H C 1 +ATOM 15209 O O . GLU H 1 166 ? 19.892 81.353 140.377 1.00 22.93 ? ? ? ? ? ? 165 GLU H O 1 +ATOM 15210 C CB . GLU H 1 166 ? 18.087 78.753 139.493 1.00 22.46 ? ? ? ? ? ? 165 GLU H CB 1 +ATOM 15211 C CG . GLU H 1 166 ? 18.264 78.450 140.974 1.00 22.17 ? ? ? ? ? ? 165 GLU H CG 1 +ATOM 15212 C CD . GLU H 1 166 ? 18.127 76.974 141.317 1.00 23.43 ? ? ? ? ? ? 165 GLU H CD 1 +ATOM 15213 O OE1 . GLU H 1 166 ? 17.189 76.299 140.828 1.00 24.00 ? ? ? ? ? ? 165 GLU H OE1 1 +ATOM 15214 O OE2 . GLU H 1 166 ? 18.949 76.473 142.102 1.00 19.81 ? ? ? ? ? ? 165 GLU H OE2 1 +ATOM 15215 N N . SER H 1 167 ? 20.552 80.554 138.415 1.00 22.66 ? ? ? ? ? ? 166 SER H N 1 +ATOM 15216 C CA . SER H 1 167 ? 21.938 80.980 138.568 1.00 22.83 ? ? ? ? ? ? 166 SER H CA 1 +ATOM 15217 C C . SER H 1 167 ? 22.117 82.510 138.601 1.00 22.80 ? ? ? ? ? ? 166 SER H C 1 +ATOM 15218 O O . SER H 1 167 ? 22.715 83.031 139.526 1.00 24.54 ? ? ? ? ? ? 166 SER H O 1 +ATOM 15219 C CB . SER H 1 167 ? 22.788 80.401 137.435 1.00 24.29 ? ? ? ? ? ? 166 SER H CB 1 +ATOM 15220 O OG . SER H 1 167 ? 22.199 80.649 136.171 1.00 27.80 ? ? ? ? ? ? 166 SER H OG 1 +ATOM 15221 N N . GLU H 1 168 ? 21.623 83.205 137.583 1.00 23.19 ? ? ? ? ? ? 167 GLU H N 1 +ATOM 15222 C CA . GLU H 1 168 ? 21.709 84.675 137.529 1.00 22.86 ? ? ? ? ? ? 167 GLU H CA 1 +ATOM 15223 C C . GLU H 1 168 ? 20.958 85.309 138.691 1.00 21.01 ? ? ? ? ? ? 167 GLU H C 1 +ATOM 15224 O O . GLU H 1 168 ? 21.442 86.258 139.271 1.00 20.49 ? ? ? ? ? ? 167 GLU H O 1 +ATOM 15225 C CB . GLU H 1 168 ? 21.181 85.259 136.198 1.00 21.33 ? ? ? ? ? ? 167 GLU H CB 1 +ATOM 15226 C CG . GLU H 1 168 ? 22.197 85.436 135.136 1.00 22.26 ? ? ? ? ? ? 167 GLU H CG 1 +ATOM 15227 C CD . GLU H 1 168 ? 21.697 86.175 133.915 1.00 23.80 ? ? ? ? ? ? 167 GLU H CD 1 +ATOM 15228 O OE1 . GLU H 1 168 ? 20.514 86.040 133.535 1.00 24.66 ? ? ? ? ? ? 167 GLU H OE1 1 +ATOM 15229 O OE2 . GLU H 1 168 ? 22.505 86.896 133.296 1.00 20.92 ? ? ? ? ? ? 167 GLU H OE2 1 +ATOM 15230 N N . THR H 1 169 ? 19.764 84.803 139.010 1.00 20.35 ? ? ? ? ? ? 168 THR H N 1 +ATOM 15231 C CA . THR H 1 169 ? 19.022 85.322 140.141 1.00 20.04 ? ? ? ? ? ? 168 THR H CA 1 +ATOM 15232 C C . THR H 1 169 ? 19.796 85.185 141.473 1.00 20.37 ? ? ? ? ? ? 168 THR H C 1 +ATOM 15233 O O . THR H 1 169 ? 19.901 86.140 142.246 1.00 21.22 ? ? ? ? ? ? 168 THR H O 1 +ATOM 15234 C CB . THR H 1 169 ? 17.592 84.701 140.215 1.00 21.32 ? ? ? ? ? ? 168 THR H CB 1 +ATOM 15235 O OG1 . THR H 1 169 ? 16.907 84.913 138.975 1.00 16.11 ? ? ? ? ? ? 168 THR H OG1 1 +ATOM 15236 C CG2 . THR H 1 169 ? 16.773 85.341 141.314 1.00 18.05 ? ? ? ? ? ? 168 THR H CG2 1 +ATOM 15237 N N . SER H 1 170 ? 20.358 84.014 141.723 1.00 20.53 ? ? ? ? ? ? 169 SER H N 1 +ATOM 15238 C CA . SER H 1 170 ? 21.159 83.754 142.932 1.00 20.23 ? ? ? ? ? ? 169 SER H CA 1 +ATOM 15239 C C . SER H 1 170 ? 22.355 84.712 143.044 1.00 21.03 ? ? ? ? ? ? 169 SER H C 1 +ATOM 15240 O O . SER H 1 170 ? 22.595 85.299 144.087 1.00 20.46 ? ? ? ? ? ? 169 SER H O 1 +ATOM 15241 C CB . SER H 1 170 ? 21.685 82.325 142.928 1.00 18.52 ? ? ? ? ? ? 169 SER H CB 1 +ATOM 15242 O OG . SER H 1 170 ? 20.638 81.373 142.965 1.00 22.06 ? ? ? ? ? ? 169 SER H OG 1 +ATOM 15243 N N . VAL H 1 171 ? 23.100 84.854 141.953 1.00 20.99 ? ? ? ? ? ? 170 VAL H N 1 +ATOM 15244 C CA . VAL H 1 171 ? 24.266 85.700 141.941 1.00 19.84 ? ? ? ? ? ? 170 VAL H CA 1 +ATOM 15245 C C . VAL H 1 171 ? 23.875 87.179 142.135 1.00 20.13 ? ? ? ? ? ? 170 VAL H C 1 +ATOM 15246 O O . VAL H 1 171 ? 24.583 87.910 142.829 1.00 21.82 ? ? ? ? ? ? 170 VAL H O 1 +ATOM 15247 C CB . VAL H 1 171 ? 25.166 85.449 140.684 1.00 18.90 ? ? ? ? ? ? 170 VAL H CB 1 +ATOM 15248 C CG1 . VAL H 1 171 ? 26.343 86.397 140.644 1.00 13.84 ? ? ? ? ? ? 170 VAL H CG1 1 +ATOM 15249 C CG2 . VAL H 1 171 ? 25.671 84.020 140.682 1.00 15.27 ? ? ? ? ? ? 170 VAL H CG2 1 +ATOM 15250 N N . MSE H 1 172 ? 22.750 87.608 141.572 1.00 19.53 ? ? ? ? ? ? 171 MSE H N 1 +ATOM 15251 C CA . MSE H 1 172 ? 22.257 88.956 141.849 1.00 20.28 ? ? ? ? ? ? 171 MSE H CA 1 +ATOM 15252 C C . MSE H 1 172 ? 21.856 89.087 143.316 1.00 21.02 ? ? ? ? ? ? 171 MSE H C 1 +ATOM 15253 O O . MSE H 1 172 ? 22.180 90.081 143.944 1.00 21.34 ? ? ? ? ? ? 171 MSE H O 1 +ATOM 15254 C CB . MSE H 1 172 ? 21.087 89.343 140.939 1.00 18.41 ? ? ? ? ? ? 171 MSE H CB 1 +ATOM 15255 C CG . MSE H 1 172 ? 20.640 90.796 141.088 1.00 20.84 ? ? ? ? ? ? 171 MSE H CG 1 +ATOM 15256 SE SE . MSE H 1 172 ? 21.980 92.107 140.565 0.75 21.05 ? ? ? ? ? ? 171 MSE H SE 1 +ATOM 15257 C CE . MSE H 1 172 ? 22.061 91.878 138.652 1.00 12.38 ? ? ? ? ? ? 171 MSE H CE 1 +ATOM 15258 N N . MSE H 1 173 ? 21.172 88.084 143.874 1.00 21.74 ? ? ? ? ? ? 172 MSE H N 1 +ATOM 15259 C CA . MSE H 1 173 ? 20.737 88.139 145.271 1.00 21.80 ? ? ? ? ? ? 172 MSE H CA 1 +ATOM 15260 C C . MSE H 1 173 ? 21.934 88.254 146.212 1.00 22.31 ? ? ? ? ? ? 172 MSE H C 1 +ATOM 15261 O O . MSE H 1 173 ? 21.876 88.923 147.259 1.00 23.12 ? ? ? ? ? ? 172 MSE H O 1 +ATOM 15262 C CB . MSE H 1 173 ? 19.887 86.925 145.602 1.00 21.55 ? ? ? ? ? ? 172 MSE H CB 1 +ATOM 15263 C CG . MSE H 1 173 ? 18.518 86.964 145.030 1.00 23.99 ? ? ? ? ? ? 172 MSE H CG 1 +ATOM 15264 SE SE . MSE H 1 173 ? 17.546 85.276 145.327 0.75 20.22 ? ? ? ? ? ? 172 MSE H SE 1 +ATOM 15265 C CE . MSE H 1 173 ? 17.232 85.600 147.279 1.00 18.20 ? ? ? ? ? ? 172 MSE H CE 1 +ATOM 15266 N N . HIS H 1 174 ? 23.042 87.640 145.811 1.00 21.85 ? ? ? ? ? ? 173 HIS H N 1 +ATOM 15267 C CA . HIS H 1 174 ? 24.287 87.726 146.553 1.00 21.48 ? ? ? ? ? ? 173 HIS H CA 1 +ATOM 15268 C C . HIS H 1 174 ? 24.915 89.126 146.490 1.00 22.94 ? ? ? ? ? ? 173 HIS H C 1 +ATOM 15269 O O . HIS H 1 174 ? 25.205 89.732 147.535 1.00 22.74 ? ? ? ? ? ? 173 HIS H O 1 +ATOM 15270 C CB . HIS H 1 174 ? 25.275 86.663 146.058 1.00 21.95 ? ? ? ? ? ? 173 HIS H CB 1 +ATOM 15271 C CG . HIS H 1 174 ? 26.666 86.856 146.569 1.00 23.36 ? ? ? ? ? ? 173 HIS H CG 1 +ATOM 15272 N ND1 . HIS H 1 174 ? 26.974 86.847 147.916 1.00 23.44 ? ? ? ? ? ? 173 HIS H ND1 1 +ATOM 15273 C CD2 . HIS H 1 174 ? 27.835 87.052 145.917 1.00 23.11 ? ? ? ? ? ? 173 HIS H CD2 1 +ATOM 15274 C CE1 . HIS H 1 174 ? 28.265 87.081 148.068 1.00 24.87 ? ? ? ? ? ? 173 HIS H CE1 1 +ATOM 15275 N NE2 . HIS H 1 174 ? 28.811 87.203 146.871 1.00 21.36 ? ? ? ? ? ? 173 HIS H NE2 1 +ATOM 15276 N N . TYR H 1 175 ? 25.080 89.647 145.274 1.00 22.37 ? ? ? ? ? ? 174 TYR H N 1 +ATOM 15277 C CA . TYR H 1 175 ? 25.810 90.882 145.058 1.00 21.62 ? ? ? ? ? ? 174 TYR H CA 1 +ATOM 15278 C C . TYR H 1 175 ? 24.977 92.114 145.325 1.00 20.60 ? ? ? ? ? ? 174 TYR H C 1 +ATOM 15279 O O . TYR H 1 175 ? 25.494 93.073 145.853 1.00 18.80 ? ? ? ? ? ? 174 TYR H O 1 +ATOM 15280 C CB . TYR H 1 175 ? 26.395 90.974 143.630 1.00 20.98 ? ? ? ? ? ? 174 TYR H CB 1 +ATOM 15281 C CG . TYR H 1 175 ? 27.699 90.215 143.416 1.00 19.34 ? ? ? ? ? ? 174 TYR H CG 1 +ATOM 15282 C CD1 . TYR H 1 175 ? 28.812 90.455 144.201 1.00 23.45 ? ? ? ? ? ? 174 TYR H CD1 1 +ATOM 15283 C CD2 . TYR H 1 175 ? 27.821 89.277 142.401 1.00 18.45 ? ? ? ? ? ? 174 TYR H CD2 1 +ATOM 15284 C CE1 . TYR H 1 175 ? 29.999 89.767 144.003 1.00 18.90 ? ? ? ? ? ? 174 TYR H CE1 1 +ATOM 15285 C CE2 . TYR H 1 175 ? 29.010 88.579 142.208 1.00 20.38 ? ? ? ? ? ? 174 TYR H CE2 1 +ATOM 15286 C CZ . TYR H 1 175 ? 30.090 88.822 143.019 1.00 21.98 ? ? ? ? ? ? 174 TYR H CZ 1 +ATOM 15287 O OH . TYR H 1 175 ? 31.267 88.131 142.805 1.00 18.73 ? ? ? ? ? ? 174 TYR H OH 1 +ATOM 15288 N N . HIS H 1 176 ? 23.711 92.101 144.898 1.00 21.83 ? ? ? ? ? ? 175 HIS H N 1 +ATOM 15289 C CA . HIS H 1 176 ? 22.820 93.253 145.084 1.00 22.07 ? ? ? ? ? ? 175 HIS H CA 1 +ATOM 15290 C C . HIS H 1 176 ? 21.423 92.840 145.459 1.00 22.90 ? ? ? ? ? ? 175 HIS H C 1 +ATOM 15291 O O . HIS H 1 176 ? 20.526 92.982 144.652 1.00 23.22 ? ? ? ? ? ? 175 HIS H O 1 +ATOM 15292 C CB . HIS H 1 176 ? 22.740 94.056 143.800 1.00 22.64 ? ? ? ? ? ? 175 HIS H CB 1 +ATOM 15293 C CG . HIS H 1 176 ? 24.007 94.744 143.456 1.00 23.83 ? ? ? ? ? ? 175 HIS H CG 1 +ATOM 15294 N ND1 . HIS H 1 176 ? 24.396 95.919 144.066 1.00 26.47 ? ? ? ? ? ? 175 HIS H ND1 1 +ATOM 15295 C CD2 . HIS H 1 176 ? 24.991 94.418 142.583 1.00 23.02 ? ? ? ? ? ? 175 HIS H CD2 1 +ATOM 15296 C CE1 . HIS H 1 176 ? 25.578 96.274 143.597 1.00 28.83 ? ? ? ? ? ? 175 HIS H CE1 1 +ATOM 15297 N NE2 . HIS H 1 176 ? 25.955 95.391 142.688 1.00 24.23 ? ? ? ? ? ? 175 HIS H NE2 1 +ATOM 15298 N N . PRO H 1 177 ? 21.210 92.385 146.706 1.00 24.79 ? ? ? ? ? ? 176 PRO H N 1 +ATOM 15299 C CA . PRO H 1 177 ? 19.865 91.912 147.069 1.00 26.08 ? ? ? ? ? ? 176 PRO H CA 1 +ATOM 15300 C C . PRO H 1 177 ? 18.787 92.991 146.917 1.00 26.13 ? ? ? ? ? ? 176 PRO H C 1 +ATOM 15301 O O . PRO H 1 177 ? 17.604 92.676 146.758 1.00 27.68 ? ? ? ? ? ? 176 PRO H O 1 +ATOM 15302 C CB . PRO H 1 177 ? 20.006 91.476 148.533 1.00 25.76 ? ? ? ? ? ? 176 PRO H CB 1 +ATOM 15303 C CG . PRO H 1 177 ? 21.334 91.993 148.995 1.00 26.03 ? ? ? ? ? ? 176 PRO H CG 1 +ATOM 15304 C CD . PRO H 1 177 ? 22.175 92.297 147.819 1.00 25.08 ? ? ? ? ? ? 176 PRO H CD 1 +ATOM 15305 N N . GLU H 1 178 ? 19.199 94.248 146.995 1.00 27.25 ? ? ? ? ? ? 177 GLU H N 1 +ATOM 15306 C CA . GLU H 1 178 ? 18.292 95.385 146.892 1.00 27.52 ? ? ? ? ? ? 177 GLU H CA 1 +ATOM 15307 C C . GLU H 1 178 ? 17.768 95.630 145.495 1.00 27.50 ? ? ? ? ? ? 177 GLU H C 1 +ATOM 15308 O O . GLU H 1 178 ? 16.874 96.445 145.320 1.00 27.18 ? ? ? ? ? ? 177 GLU H O 1 +ATOM 15309 C CB . GLU H 1 178 ? 18.983 96.673 147.405 1.00 27.42 ? ? ? ? ? ? 177 GLU H CB 1 +ATOM 15310 C CG . GLU H 1 178 ? 19.993 97.386 146.449 1.00 31.00 ? ? ? ? ? ? 177 GLU H CG 1 +ATOM 15311 C CD . GLU H 1 178 ? 21.378 96.724 146.352 1.00 33.78 ? ? ? ? ? ? 177 GLU H CD 1 +ATOM 15312 O OE1 . GLU H 1 178 ? 21.660 95.777 147.114 1.00 29.63 ? ? ? ? ? ? 177 GLU H OE1 1 +ATOM 15313 O OE2 . GLU H 1 178 ? 22.203 97.169 145.507 1.00 36.42 ? ? ? ? ? ? 177 GLU H OE2 1 +ATOM 15314 N N . LEU H 1 179 ? 18.362 94.983 144.487 1.00 26.92 ? ? ? ? ? ? 178 LEU H N 1 +ATOM 15315 C CA . LEU H 1 179 ? 17.959 95.166 143.103 1.00 25.54 ? ? ? ? ? ? 178 LEU H CA 1 +ATOM 15316 C C . LEU H 1 179 ? 17.037 94.065 142.604 1.00 26.85 ? ? ? ? ? ? 178 LEU H C 1 +ATOM 15317 O O . LEU H 1 179 ? 16.536 94.147 141.476 1.00 28.49 ? ? ? ? ? ? 178 LEU H O 1 +ATOM 15318 C CB . LEU H 1 179 ? 19.184 95.259 142.186 1.00 25.95 ? ? ? ? ? ? 178 LEU H CB 1 +ATOM 15319 C CG . LEU H 1 179 ? 19.992 96.547 142.232 1.00 24.67 ? ? ? ? ? ? 178 LEU H CG 1 +ATOM 15320 C CD1 . LEU H 1 179 ? 21.154 96.498 141.272 1.00 21.65 ? ? ? ? ? ? 178 LEU H CD1 1 +ATOM 15321 C CD2 . LEU H 1 179 ? 19.084 97.736 141.938 1.00 25.70 ? ? ? ? ? ? 178 LEU H CD2 1 +ATOM 15322 N N . VAL H 1 180 ? 16.807 93.037 143.414 1.00 27.02 ? ? ? ? ? ? 179 VAL H N 1 +ATOM 15323 C CA . VAL H 1 180 ? 15.978 91.925 142.993 1.00 26.76 ? ? ? ? ? ? 179 VAL H CA 1 +ATOM 15324 C C . VAL H 1 180 ? 15.037 91.503 144.120 1.00 28.27 ? ? ? ? ? ? 179 VAL H C 1 +ATOM 15325 O O . VAL H 1 180 ? 15.470 91.343 145.269 1.00 28.31 ? ? ? ? ? ? 179 VAL H O 1 +ATOM 15326 C CB . VAL H 1 180 ? 16.826 90.727 142.479 1.00 28.43 ? ? ? ? ? ? 179 VAL H CB 1 +ATOM 15327 C CG1 . VAL H 1 180 ? 18.045 90.444 143.378 1.00 23.13 ? ? ? ? ? ? 179 VAL H CG1 1 +ATOM 15328 C CG2 . VAL H 1 180 ? 15.935 89.483 142.287 1.00 26.37 ? ? ? ? ? ? 179 VAL H CG2 1 +ATOM 15329 N N . ASN H 1 181 ? 13.755 91.346 143.769 1.00 29.15 ? ? ? ? ? ? 180 ASN H N 1 +ATOM 15330 C CA . ASN H 1 181 ? 12.742 90.752 144.642 1.00 28.80 ? ? ? ? ? ? 180 ASN H CA 1 +ATOM 15331 C C . ASN H 1 181 ? 12.246 89.431 144.019 1.00 27.48 ? ? ? ? ? ? 180 ASN H C 1 +ATOM 15332 O O . ASN H 1 181 ? 11.403 89.436 143.114 1.00 26.41 ? ? ? ? ? ? 180 ASN H O 1 +ATOM 15333 C CB . ASN H 1 181 ? 11.543 91.704 144.814 1.00 29.45 ? ? ? ? ? ? 180 ASN H CB 1 +ATOM 15334 C CG . ASN H 1 181 ? 11.935 93.109 145.331 1.00 35.42 ? ? ? ? ? ? 180 ASN H CG 1 +ATOM 15335 O OD1 . ASN H 1 181 ? 12.937 93.285 146.033 1.00 38.23 ? ? ? ? ? ? 180 ASN H OD1 1 +ATOM 15336 N ND2 . ASN H 1 181 ? 11.105 94.110 144.999 1.00 36.19 ? ? ? ? ? ? 180 ASN H ND2 1 +ATOM 15337 N N . LEU H 1 182 ? 12.760 88.319 144.517 1.00 26.88 ? ? ? ? ? ? 181 LEU H N 1 +ATOM 15338 C CA . LEU H 1 182 ? 12.488 86.993 143.959 1.00 27.13 ? ? ? ? ? ? 181 LEU H CA 1 +ATOM 15339 C C . LEU H 1 182 ? 10.998 86.675 143.791 1.00 27.06 ? ? ? ? ? ? 181 LEU H C 1 +ATOM 15340 O O . LEU H 1 182 ? 10.625 86.004 142.847 1.00 26.63 ? ? ? ? ? ? 181 LEU H O 1 +ATOM 15341 C CB . LEU H 1 182 ? 13.144 85.928 144.851 1.00 27.90 ? ? ? ? ? ? 181 LEU H CB 1 +ATOM 15342 C CG . LEU H 1 182 ? 12.975 84.428 144.534 1.00 29.92 ? ? ? ? ? ? 181 LEU H CG 1 +ATOM 15343 C CD1 . LEU H 1 182 ? 13.402 84.085 143.079 1.00 26.31 ? ? ? ? ? ? 181 LEU H CD1 1 +ATOM 15344 C CD2 . LEU H 1 182 ? 13.750 83.574 145.556 1.00 24.89 ? ? ? ? ? ? 181 LEU H CD2 1 +ATOM 15345 N N . ALA H 1 183 ? 10.153 87.171 144.689 1.00 27.99 ? ? ? ? ? ? 182 ALA H N 1 +ATOM 15346 C CA . ALA H 1 183 ? 8.707 86.864 144.633 1.00 28.86 ? ? ? ? ? ? 182 ALA H CA 1 +ATOM 15347 C C . ALA H 1 183 ? 8.006 87.522 143.443 1.00 29.73 ? ? ? ? ? ? 182 ALA H C 1 +ATOM 15348 O O . ALA H 1 183 ? 6.911 87.144 143.119 1.00 29.97 ? ? ? ? ? ? 182 ALA H O 1 +ATOM 15349 C CB . ALA H 1 183 ? 8.026 87.252 145.946 1.00 29.18 ? ? ? ? ? ? 182 ALA H CB 1 +ATOM 15350 N N . GLU H 1 184 ? 8.652 88.490 142.783 1.00 30.51 ? ? ? ? ? ? 183 GLU H N 1 +ATOM 15351 C CA . GLU H 1 184 ? 8.133 89.095 141.554 1.00 31.31 ? ? ? ? ? ? 183 GLU H CA 1 +ATOM 15352 C C . GLU H 1 184 ? 8.373 88.275 140.264 1.00 27.99 ? ? ? ? ? ? 183 GLU H C 1 +ATOM 15353 O O . GLU H 1 184 ? 7.822 88.597 139.209 1.00 26.95 ? ? ? ? ? ? 183 GLU H O 1 +ATOM 15354 C CB . GLU H 1 184 ? 8.777 90.469 141.368 1.00 31.24 ? ? ? ? ? ? 183 GLU H CB 1 +ATOM 15355 C CG . GLU H 1 184 ? 8.552 91.407 142.503 1.00 33.88 ? ? ? ? ? ? 183 GLU H CG 1 +ATOM 15356 C CD . GLU H 1 184 ? 9.122 92.787 142.252 1.00 37.99 ? ? ? ? ? ? 183 GLU H CD 1 +ATOM 15357 O OE1 . GLU H 1 184 ? 9.705 93.020 141.165 1.00 39.65 ? ? ? ? ? ? 183 GLU H OE1 1 +ATOM 15358 O OE2 . GLU H 1 184 ? 8.999 93.635 143.167 1.00 42.99 ? ? ? ? ? ? 183 GLU H OE2 1 +ATOM 15359 N N . ALA H 1 185 ? 9.202 87.242 140.352 1.00 26.27 ? ? ? ? ? ? 184 ALA H N 1 +ATOM 15360 C CA . ALA H 1 185 ? 9.624 86.467 139.191 1.00 25.40 ? ? ? ? ? ? 184 ALA H CA 1 +ATOM 15361 C C . ALA H 1 185 ? 8.452 85.653 138.675 1.00 26.37 ? ? ? ? ? ? 184 ALA H C 1 +ATOM 15362 O O . ALA H 1 185 ? 7.681 85.096 139.469 1.00 26.90 ? ? ? ? ? ? 184 ALA H O 1 +ATOM 15363 C CB . ALA H 1 185 ? 10.803 85.516 139.578 1.00 19.98 ? ? ? ? ? ? 184 ALA H CB 1 +ATOM 15364 N N . GLY H 1 186 ? 8.315 85.578 137.354 1.00 26.11 ? ? ? ? ? ? 185 GLY H N 1 +ATOM 15365 C CA . GLY H 1 186 ? 7.442 84.582 136.718 1.00 24.63 ? ? ? ? ? ? 185 GLY H CA 1 +ATOM 15366 C C . GLY H 1 186 ? 8.190 83.261 136.622 1.00 25.22 ? ? ? ? ? ? 185 GLY H C 1 +ATOM 15367 O O . GLY H 1 186 ? 9.373 83.169 136.995 1.00 24.35 ? ? ? ? ? ? 185 GLY H O 1 +ATOM 15368 N N . ASP H 1 187 ? 7.526 82.232 136.103 1.00 26.16 ? ? ? ? ? ? 186 ASP H N 1 +ATOM 15369 C CA . ASP H 1 187 ? 8.119 80.902 136.074 1.00 25.50 ? ? ? ? ? ? 186 ASP H CA 1 +ATOM 15370 C C . ASP H 1 187 ? 9.181 80.706 134.975 1.00 26.89 ? ? ? ? ? ? 186 ASP H C 1 +ATOM 15371 O O . ASP H 1 187 ? 9.847 79.685 134.979 1.00 26.55 ? ? ? ? ? ? 186 ASP H O 1 +ATOM 15372 C CB . ASP H 1 187 ? 7.041 79.832 135.927 1.00 24.20 ? ? ? ? ? ? 186 ASP H CB 1 +ATOM 15373 C CG . ASP H 1 187 ? 6.015 79.848 137.053 1.00 36.21 ? ? ? ? ? ? 186 ASP H CG 1 +ATOM 15374 O OD1 . ASP H 1 187 ? 6.249 80.490 138.116 1.00 43.82 ? ? ? ? ? ? 186 ASP H OD1 1 +ATOM 15375 O OD2 . ASP H 1 187 ? 4.960 79.184 136.875 1.00 38.22 ? ? ? ? ? ? 186 ASP H OD2 1 +ATOM 15376 N N . GLY H 1 188 ? 9.325 81.662 134.047 1.00 26.89 ? ? ? ? ? ? 187 GLY H N 1 +ATOM 15377 C CA . GLY H 1 188 ? 10.306 81.554 132.962 1.00 26.77 ? ? ? ? ? ? 187 GLY H CA 1 +ATOM 15378 C C . GLY H 1 188 ? 10.137 80.348 132.045 1.00 26.80 ? ? ? ? ? ? 187 GLY H C 1 +ATOM 15379 O O . GLY H 1 188 ? 11.123 79.712 131.636 1.00 25.55 ? ? ? ? ? ? 187 GLY H O 1 +ATOM 15380 N N . GLU H 1 189 ? 8.888 80.033 131.726 1.00 27.82 ? ? ? ? ? ? 188 GLU H N 1 +ATOM 15381 C CA . GLU H 1 189 ? 8.567 78.912 130.830 1.00 30.73 ? ? ? ? ? ? 188 GLU H CA 1 +ATOM 15382 C C . GLU H 1 189 ? 9.082 79.196 129.405 1.00 30.39 ? ? ? ? ? ? 188 GLU H C 1 +ATOM 15383 O O . GLU H 1 189 ? 9.030 80.321 128.923 1.00 29.98 ? ? ? ? ? ? 188 GLU H O 1 +ATOM 15384 C CB . GLU H 1 189 ? 7.044 78.632 130.779 1.00 30.97 ? ? ? ? ? ? 188 GLU H CB 1 +ATOM 15385 C CG . GLU H 1 189 ? 6.261 78.725 132.107 1.00 37.23 ? ? ? ? ? ? 188 GLU H CG 1 +ATOM 15386 C CD . GLU H 1 189 ? 5.535 80.100 132.289 1.00 51.52 ? ? ? ? ? ? 188 GLU H CD 1 +ATOM 15387 O OE1 . GLU H 1 189 ? 6.214 81.181 132.374 1.00 39.44 ? ? ? ? ? ? 188 GLU H OE1 1 +ATOM 15388 O OE2 . GLU H 1 189 ? 4.276 80.077 132.353 1.00 53.87 ? ? ? ? ? ? 188 GLU H OE2 1 +ATOM 15389 N N . SER H 1 190 ? 9.573 78.164 128.750 1.00 31.63 ? ? ? ? ? ? 189 SER H N 1 +ATOM 15390 C CA . SER H 1 190 ? 10.110 78.298 127.409 1.00 32.92 ? ? ? ? ? ? 189 SER H CA 1 +ATOM 15391 C C . SER H 1 190 ? 9.604 77.186 126.457 1.00 33.70 ? ? ? ? ? ? 189 SER H C 1 +ATOM 15392 O O . SER H 1 190 ? 9.101 76.134 126.886 1.00 34.47 ? ? ? ? ? ? 189 SER H O 1 +ATOM 15393 C CB . SER H 1 190 ? 11.646 78.347 127.454 1.00 32.49 ? ? ? ? ? ? 189 SER H CB 1 +ATOM 15394 O OG . SER H 1 190 ? 12.173 77.178 128.045 1.00 35.46 ? ? ? ? ? ? 189 SER H OG 1 +ATOM 15395 N N . LYS H 1 191 ? 9.719 77.470 125.164 1.00 32.32 ? ? ? ? ? ? 190 LYS H N 1 +ATOM 15396 C CA . LYS H 1 191 ? 9.215 76.631 124.116 1.00 34.55 ? ? ? ? ? ? 190 LYS H CA 1 +ATOM 15397 C C . LYS H 1 191 ? 10.386 76.356 123.157 1.00 31.90 ? ? ? ? ? ? 190 LYS H C 1 +ATOM 15398 O O . LYS H 1 191 ? 11.131 77.274 122.796 1.00 30.67 ? ? ? ? ? ? 190 LYS H O 1 +ATOM 15399 C CB . LYS H 1 191 ? 8.099 77.401 123.420 1.00 34.54 ? ? ? ? ? ? 190 LYS H CB 1 +ATOM 15400 C CG . LYS H 1 191 ? 7.088 76.614 122.636 1.00 42.97 ? ? ? ? ? ? 190 LYS H CG 1 +ATOM 15401 C CD . LYS H 1 191 ? 5.941 77.556 122.194 1.00 43.45 ? ? ? ? ? ? 190 LYS H CD 1 +ATOM 15402 C CE . LYS H 1 191 ? 4.952 76.890 121.241 1.00 53.87 ? ? ? ? ? ? 190 LYS H CE 1 +ATOM 15403 N NZ . LYS H 1 191 ? 5.333 77.004 119.808 1.00 54.67 ? ? ? ? ? ? 190 LYS H NZ 1 +ATOM 15404 N N . PRO H 1 192 ? 10.581 75.087 122.774 1.00 30.59 ? ? ? ? ? ? 191 PRO H N 1 +ATOM 15405 C CA . PRO H 1 192 ? 11.595 74.745 121.773 1.00 29.54 ? ? ? ? ? ? 191 PRO H CA 1 +ATOM 15406 C C . PRO H 1 192 ? 11.158 74.994 120.320 1.00 27.08 ? ? ? ? ? ? 191 PRO H C 1 +ATOM 15407 O O . PRO H 1 192 ? 10.004 75.354 120.050 1.00 26.10 ? ? ? ? ? ? 191 PRO H O 1 +ATOM 15408 C CB . PRO H 1 192 ? 11.815 73.243 122.014 1.00 28.72 ? ? ? ? ? ? 191 PRO H CB 1 +ATOM 15409 C CG . PRO H 1 192 ? 10.468 72.760 122.491 1.00 30.24 ? ? ? ? ? ? 191 PRO H CG 1 +ATOM 15410 C CD . PRO H 1 192 ? 9.887 73.889 123.287 1.00 30.13 ? ? ? ? ? ? 191 PRO H CD 1 +ATOM 15411 N N . PHE H 1 193 ? 12.088 74.797 119.382 1.00 26.48 ? ? ? ? ? ? 192 PHE H N 1 +ATOM 15412 C CA . PHE H 1 193 ? 11.761 74.896 117.949 1.00 25.78 ? ? ? ? ? ? 192 PHE H CA 1 +ATOM 15413 C C . PHE H 1 193 ? 10.830 73.744 117.508 1.00 26.07 ? ? ? ? ? ? 192 PHE H C 1 +ATOM 15414 O O . PHE H 1 193 ? 10.726 72.723 118.195 1.00 25.53 ? ? ? ? ? ? 192 PHE H O 1 +ATOM 15415 C CB . PHE H 1 193 ? 13.017 74.873 117.081 1.00 23.84 ? ? ? ? ? ? 192 PHE H CB 1 +ATOM 15416 C CG . PHE H 1 193 ? 14.027 75.939 117.418 1.00 23.88 ? ? ? ? ? ? 192 PHE H CG 1 +ATOM 15417 C CD1 . PHE H 1 193 ? 13.758 77.292 117.205 1.00 23.68 ? ? ? ? ? ? 192 PHE H CD1 1 +ATOM 15418 C CD2 . PHE H 1 193 ? 15.261 75.601 117.928 1.00 23.61 ? ? ? ? ? ? 192 PHE H CD2 1 +ATOM 15419 C CE1 . PHE H 1 193 ? 14.732 78.266 117.491 1.00 21.37 ? ? ? ? ? ? 192 PHE H CE1 1 +ATOM 15420 C CE2 . PHE H 1 193 ? 16.211 76.590 118.203 1.00 23.04 ? ? ? ? ? ? 192 PHE H CE2 1 +ATOM 15421 C CZ . PHE H 1 193 ? 15.930 77.903 117.978 1.00 18.86 ? ? ? ? ? ? 192 PHE H CZ 1 +ATOM 15422 N N . ALA H 1 194 ? 10.171 73.949 116.370 1.00 26.21 ? ? ? ? ? ? 193 ALA H N 1 +ATOM 15423 C CA . ALA H 1 194 ? 9.342 72.952 115.699 1.00 27.32 ? ? ? ? ? ? 193 ALA H CA 1 +ATOM 15424 C C . ALA H 1 194 ? 10.219 72.079 114.781 1.00 28.05 ? ? ? ? ? ? 193 ALA H C 1 +ATOM 15425 O O . ALA H 1 194 ? 9.835 70.980 114.367 1.00 29.13 ? ? ? ? ? ? 193 ALA H O 1 +ATOM 15426 C CB . ALA H 1 194 ? 8.209 73.656 114.899 1.00 23.50 ? ? ? ? ? ? 193 ALA H CB 1 +ATOM 15427 N N . ILE H 1 195 ? 11.426 72.571 114.509 1.00 28.13 ? ? ? ? ? ? 194 ILE H N 1 +ATOM 15428 C CA . ILE H 1 195 ? 12.439 71.838 113.733 1.00 25.37 ? ? ? ? ? ? 194 ILE H CA 1 +ATOM 15429 C C . ILE H 1 195 ? 13.319 71.057 114.710 1.00 26.34 ? ? ? ? ? ? 194 ILE H C 1 +ATOM 15430 O O . ILE H 1 195 ? 14.202 71.625 115.366 1.00 26.51 ? ? ? ? ? ? 194 ILE H O 1 +ATOM 15431 C CB . ILE H 1 195 ? 13.260 72.810 112.858 1.00 24.95 ? ? ? ? ? ? 194 ILE H CB 1 +ATOM 15432 C CG1 . ILE H 1 195 ? 12.296 73.653 111.982 1.00 24.36 ? ? ? ? ? ? 194 ILE H CG1 1 +ATOM 15433 C CG2 . ILE H 1 195 ? 14.252 72.045 112.029 1.00 24.33 ? ? ? ? ? ? 194 ILE H CG2 1 +ATOM 15434 C CD1 . ILE H 1 195 ? 12.923 74.841 111.257 1.00 24.36 ? ? ? ? ? ? 194 ILE H CD1 1 +ATOM 15435 N N . ALA H 1 196 ? 13.042 69.753 114.822 1.00 25.69 ? ? ? ? ? ? 195 ALA H N 1 +ATOM 15436 C CA . ALA H 1 196 ? 13.684 68.871 115.822 1.00 25.04 ? ? ? ? ? ? 195 ALA H CA 1 +ATOM 15437 C C . ALA H 1 196 ? 15.210 68.909 115.783 1.00 24.59 ? ? ? ? ? ? 195 ALA H C 1 +ATOM 15438 O O . ALA H 1 196 ? 15.848 68.957 116.843 1.00 25.66 ? ? ? ? ? ? 195 ALA H O 1 +ATOM 15439 C CB . ALA H 1 196 ? 13.196 67.393 115.669 1.00 24.46 ? ? ? ? ? ? 195 ALA H CB 1 +ATOM 15440 N N . SER H 1 197 ? 15.801 68.917 114.587 1.00 24.31 ? ? ? ? ? ? 196 SER H N 1 +ATOM 15441 C CA . SER H 1 197 ? 17.275 68.967 114.443 1.00 23.41 ? ? ? ? ? ? 196 SER H CA 1 +ATOM 15442 C C . SER H 1 197 ? 17.920 70.187 115.085 1.00 23.19 ? ? ? ? ? ? 196 SER H C 1 +ATOM 15443 O O . SER H 1 197 ? 19.044 70.112 115.530 1.00 23.17 ? ? ? ? ? ? 196 SER H O 1 +ATOM 15444 C CB . SER H 1 197 ? 17.687 68.925 112.959 1.00 23.71 ? ? ? ? ? ? 196 SER H CB 1 +ATOM 15445 O OG . SER H 1 197 ? 17.300 67.714 112.334 1.00 22.56 ? ? ? ? ? ? 196 SER H OG 1 +ATOM 15446 N N . LEU H 1 198 ? 17.228 71.321 115.109 1.00 23.66 ? ? ? ? ? ? 197 LEU H N 1 +ATOM 15447 C CA . LEU H 1 198 ? 17.714 72.506 115.810 1.00 24.22 ? ? ? ? ? ? 197 LEU H CA 1 +ATOM 15448 C C . LEU H 1 198 ? 17.726 72.312 117.322 1.00 24.88 ? ? ? ? ? ? 197 LEU H C 1 +ATOM 15449 O O . LEU H 1 198 ? 18.659 72.722 117.990 1.00 26.18 ? ? ? ? ? ? 197 LEU H O 1 +ATOM 15450 C CB . LEU H 1 198 ? 16.891 73.753 115.456 1.00 24.12 ? ? ? ? ? ? 197 LEU H CB 1 +ATOM 15451 C CG . LEU H 1 198 ? 16.821 74.170 114.002 1.00 22.92 ? ? ? ? ? ? 197 LEU H CG 1 +ATOM 15452 C CD1 . LEU H 1 198 ? 15.904 75.404 113.917 1.00 21.43 ? ? ? ? ? ? 197 LEU H CD1 1 +ATOM 15453 C CD2 . LEU H 1 198 ? 18.203 74.441 113.433 1.00 18.28 ? ? ? ? ? ? 197 LEU H CD2 1 +ATOM 15454 N N . ASN H 1 199 ? 16.691 71.709 117.877 1.00 26.69 ? ? ? ? ? ? 198 ASN H N 1 +ATOM 15455 C CA . ASN H 1 199 ? 16.722 71.352 119.303 1.00 27.35 ? ? ? ? ? ? 198 ASN H CA 1 +ATOM 15456 C C . ASN H 1 199 ? 17.849 70.336 119.626 1.00 27.82 ? ? ? ? ? ? 198 ASN H C 1 +ATOM 15457 O O . ASN H 1 199 ? 18.388 70.316 120.727 1.00 27.37 ? ? ? ? ? ? 198 ASN H O 1 +ATOM 15458 C CB . ASN H 1 199 ? 15.386 70.759 119.781 1.00 25.17 ? ? ? ? ? ? 198 ASN H CB 1 +ATOM 15459 C CG . ASN H 1 199 ? 14.221 71.676 119.550 1.00 27.52 ? ? ? ? ? ? 198 ASN H CG 1 +ATOM 15460 O OD1 . ASN H 1 199 ? 14.309 72.914 119.738 1.00 28.74 ? ? ? ? ? ? 198 ASN H OD1 1 +ATOM 15461 N ND2 . ASN H 1 199 ? 13.105 71.087 119.142 1.00 24.41 ? ? ? ? ? ? 198 ASN H ND2 1 +ATOM 15462 N N . GLU H 1 200 ? 18.165 69.466 118.676 1.00 28.60 ? ? ? ? ? ? 199 GLU H N 1 +ATOM 15463 C CA . GLU H 1 200 ? 19.269 68.513 118.835 1.00 31.02 ? ? ? ? ? ? 199 GLU H CA 1 +ATOM 15464 C C . GLU H 1 200 ? 20.650 69.172 118.593 1.00 30.24 ? ? ? ? ? ? 199 GLU H C 1 +ATOM 15465 O O . GLU H 1 200 ? 21.706 68.566 118.831 1.00 29.49 ? ? ? ? ? ? 199 GLU H O 1 +ATOM 15466 C CB . GLU H 1 200 ? 19.062 67.312 117.905 1.00 29.77 ? ? ? ? ? ? 199 GLU H CB 1 +ATOM 15467 C CG . GLU H 1 200 ? 17.815 66.467 118.263 1.00 35.20 ? ? ? ? ? ? 199 GLU H CG 1 +ATOM 15468 C CD . GLU H 1 200 ? 17.222 65.646 117.087 1.00 40.38 ? ? ? ? ? ? 199 GLU H CD 1 +ATOM 15469 O OE1 . GLU H 1 200 ? 17.871 65.512 116.021 1.00 47.09 ? ? ? ? ? ? 199 GLU H OE1 1 +ATOM 15470 O OE2 . GLU H 1 200 ? 16.088 65.123 117.254 1.00 53.94 ? ? ? ? ? ? 199 GLU H OE2 1 +ATOM 15471 N N . LYS H 1 201 ? 20.626 70.421 118.115 1.00 30.20 ? ? ? ? ? ? 200 LYS H N 1 +ATOM 15472 C CA . LYS H 1 201 ? 21.837 71.207 117.848 1.00 29.82 ? ? ? ? ? ? 200 LYS H CA 1 +ATOM 15473 C C . LYS H 1 201 ? 22.634 70.706 116.669 1.00 27.51 ? ? ? ? ? ? 200 LYS H C 1 +ATOM 15474 O O . LYS H 1 201 ? 23.841 70.860 116.647 1.00 27.38 ? ? ? ? ? ? 200 LYS H O 1 +ATOM 15475 C CB . LYS H 1 201 ? 22.708 71.330 119.111 1.00 31.19 ? ? ? ? ? ? 200 LYS H CB 1 +ATOM 15476 C CG . LYS H 1 201 ? 21.933 72.023 120.242 1.00 35.77 ? ? ? ? ? ? 200 LYS H CG 1 +ATOM 15477 C CD . LYS H 1 201 ? 22.651 71.974 121.561 1.00 42.45 ? ? ? ? ? ? 200 LYS H CD 1 +ATOM 15478 C CE . LYS H 1 201 ? 21.682 72.365 122.679 1.00 50.25 ? ? ? ? ? ? 200 LYS H CE 1 +ATOM 15479 N NZ . LYS H 1 201 ? 21.039 73.685 122.393 1.00 53.44 ? ? ? ? ? ? 200 LYS H NZ 1 +ATOM 15480 N N . VAL H 1 202 ? 21.944 70.142 115.675 1.00 25.00 ? ? ? ? ? ? 201 VAL H N 1 +ATOM 15481 C CA . VAL H 1 202 ? 22.576 69.840 114.372 1.00 24.52 ? ? ? ? ? ? 201 VAL H CA 1 +ATOM 15482 C C . VAL H 1 202 ? 23.046 71.168 113.715 1.00 24.13 ? ? ? ? ? ? 201 VAL H C 1 +ATOM 15483 O O . VAL H 1 202 ? 24.138 71.234 113.100 1.00 23.47 ? ? ? ? ? ? 201 VAL H O 1 +ATOM 15484 C CB . VAL H 1 202 ? 21.655 68.954 113.469 1.00 24.36 ? ? ? ? ? ? 201 VAL H CB 1 +ATOM 15485 C CG1 . VAL H 1 202 ? 22.250 68.713 112.086 1.00 18.74 ? ? ? ? ? ? 201 VAL H CG1 1 +ATOM 15486 C CG2 . VAL H 1 202 ? 21.384 67.612 114.163 1.00 21.82 ? ? ? ? ? ? 201 VAL H CG2 1 +ATOM 15487 N N . ALA H 1 203 ? 22.253 72.224 113.907 1.00 23.02 ? ? ? ? ? ? 202 ALA H N 1 +ATOM 15488 C CA . ALA H 1 203 ? 22.605 73.559 113.464 1.00 21.23 ? ? ? ? ? ? 202 ALA H CA 1 +ATOM 15489 C C . ALA H 1 203 ? 22.024 74.552 114.466 1.00 22.02 ? ? ? ? ? ? 202 ALA H C 1 +ATOM 15490 O O . ALA H 1 203 ? 21.233 74.171 115.330 1.00 22.52 ? ? ? ? ? ? 202 ALA H O 1 +ATOM 15491 C CB . ALA H 1 203 ? 22.113 73.805 112.052 1.00 17.02 ? ? ? ? ? ? 202 ALA H CB 1 +ATOM 15492 N N . TRP H 1 204 ? 22.472 75.798 114.381 1.00 22.23 ? ? ? ? ? ? 203 TRP H N 1 +ATOM 15493 C CA . TRP H 1 204 ? 22.094 76.855 115.286 1.00 20.87 ? ? ? ? ? ? 203 TRP H CA 1 +ATOM 15494 C C . TRP H 1 204 ? 21.207 77.909 114.570 1.00 20.68 ? ? ? ? ? ? 203 TRP H C 1 +ATOM 15495 O O . TRP H 1 204 ? 21.523 78.353 113.463 1.00 18.75 ? ? ? ? ? ? 203 TRP H O 1 +ATOM 15496 C CB . TRP H 1 204 ? 23.363 77.524 115.864 1.00 21.91 ? ? ? ? ? ? 203 TRP H CB 1 +ATOM 15497 C CG . TRP H 1 204 ? 23.060 78.681 116.826 1.00 21.83 ? ? ? ? ? ? 203 TRP H CG 1 +ATOM 15498 C CD1 . TRP H 1 204 ? 22.847 78.582 118.160 1.00 22.44 ? ? ? ? ? ? 203 TRP H CD1 1 +ATOM 15499 C CD2 . TRP H 1 204 ? 22.890 80.076 116.497 1.00 19.27 ? ? ? ? ? ? 203 TRP H CD2 1 +ATOM 15500 N NE1 . TRP H 1 204 ? 22.561 79.819 118.682 1.00 23.31 ? ? ? ? ? ? 203 TRP H NE1 1 +ATOM 15501 C CE2 . TRP H 1 204 ? 22.583 80.749 117.688 1.00 22.06 ? ? ? ? ? ? 203 TRP H CE2 1 +ATOM 15502 C CE3 . TRP H 1 204 ? 22.966 80.815 115.308 1.00 20.85 ? ? ? ? ? ? 203 TRP H CE3 1 +ATOM 15503 C CZ2 . TRP H 1 204 ? 22.379 82.126 117.740 1.00 23.66 ? ? ? ? ? ? 203 TRP H CZ2 1 +ATOM 15504 C CZ3 . TRP H 1 204 ? 22.766 82.170 115.359 1.00 19.71 ? ? ? ? ? ? 203 TRP H CZ3 1 +ATOM 15505 C CH2 . TRP H 1 204 ? 22.458 82.818 116.569 1.00 20.91 ? ? ? ? ? ? 203 TRP H CH2 1 +ATOM 15506 N N . VAL H 1 205 ? 20.091 78.261 115.217 1.00 19.49 ? ? ? ? ? ? 204 VAL H N 1 +ATOM 15507 C CA . VAL H 1 205 ? 19.254 79.385 114.868 1.00 20.43 ? ? ? ? ? ? 204 VAL H CA 1 +ATOM 15508 C C . VAL H 1 205 ? 19.002 80.124 116.196 1.00 21.57 ? ? ? ? ? ? 204 VAL H C 1 +ATOM 15509 O O . VAL H 1 205 ? 18.934 79.473 117.242 1.00 21.23 ? ? ? ? ? ? 204 VAL H O 1 +ATOM 15510 C CB . VAL H 1 205 ? 17.928 78.877 114.220 1.00 21.16 ? ? ? ? ? ? 204 VAL H CB 1 +ATOM 15511 C CG1 . VAL H 1 205 ? 16.861 79.954 114.201 1.00 17.93 ? ? ? ? ? ? 204 VAL H CG1 1 +ATOM 15512 C CG2 . VAL H 1 205 ? 18.216 78.343 112.814 1.00 21.61 ? ? ? ? ? ? 204 VAL H CG2 1 +ATOM 15513 N N . PRO H 1 206 ? 18.902 81.471 116.179 1.00 21.21 ? ? ? ? ? ? 205 PRO H N 1 +ATOM 15514 C CA . PRO H 1 206 ? 18.605 82.122 117.444 1.00 22.44 ? ? ? ? ? ? 205 PRO H CA 1 +ATOM 15515 C C . PRO H 1 206 ? 17.184 81.869 117.951 1.00 22.92 ? ? ? ? ? ? 205 PRO H C 1 +ATOM 15516 O O . PRO H 1 206 ? 16.230 81.866 117.156 1.00 23.30 ? ? ? ? ? ? 205 PRO H O 1 +ATOM 15517 C CB . PRO H 1 206 ? 18.777 83.611 117.126 1.00 22.75 ? ? ? ? ? ? 205 PRO H CB 1 +ATOM 15518 C CG . PRO H 1 206 ? 18.564 83.735 115.691 1.00 19.90 ? ? ? ? ? ? 205 PRO H CG 1 +ATOM 15519 C CD . PRO H 1 206 ? 19.091 82.454 115.100 1.00 22.49 ? ? ? ? ? ? 205 PRO H CD 1 +ATOM 15520 N N . ARG H 1 207 ? 17.052 81.678 119.268 1.00 23.83 ? ? ? ? ? ? 206 ARG H N 1 +ATOM 15521 C CA . ARG H 1 207 ? 15.728 81.591 119.915 1.00 25.31 ? ? ? ? ? ? 206 ARG H CA 1 +ATOM 15522 C C . ARG H 1 207 ? 14.995 82.897 119.620 1.00 22.63 ? ? ? ? ? ? 206 ARG H C 1 +ATOM 15523 O O . ARG H 1 207 ? 15.600 83.964 119.687 1.00 21.22 ? ? ? ? ? ? 206 ARG H O 1 +ATOM 15524 C CB . ARG H 1 207 ? 15.917 81.378 121.427 1.00 28.33 ? ? ? ? ? ? 206 ARG H CB 1 +ATOM 15525 C CG . ARG H 1 207 ? 14.657 81.196 122.303 1.00 29.72 ? ? ? ? ? ? 206 ARG H CG 1 +ATOM 15526 C CD . ARG H 1 207 ? 14.963 81.376 123.813 1.00 30.81 ? ? ? ? ? ? 206 ARG H CD 1 +ATOM 15527 N NE . ARG H 1 207 ? 15.842 80.340 124.384 1.00 40.08 ? ? ? ? ? ? 206 ARG H NE 1 +ATOM 15528 C CZ . ARG H 1 207 ? 15.460 79.089 124.693 1.00 47.11 ? ? ? ? ? ? 206 ARG H CZ 1 +ATOM 15529 N NH1 . ARG H 1 207 ? 14.202 78.658 124.489 1.00 43.75 ? ? ? ? ? ? 206 ARG H NH1 1 +ATOM 15530 N NH2 . ARG H 1 207 ? 16.340 78.249 125.217 1.00 46.59 ? ? ? ? ? ? 206 ARG H NH2 1 +ATOM 15531 N N . HIS H 1 208 ? 13.732 82.780 119.205 1.00 22.43 ? ? ? ? ? ? 207 HIS H N 1 +ATOM 15532 C CA . HIS H 1 208 ? 12.820 83.903 119.045 1.00 22.60 ? ? ? ? ? ? 207 HIS H CA 1 +ATOM 15533 C C . HIS H 1 208 ? 12.072 84.124 120.357 1.00 24.19 ? ? ? ? ? ? 207 HIS H C 1 +ATOM 15534 O O . HIS H 1 208 ? 11.293 83.264 120.783 1.00 23.53 ? ? ? ? ? ? 207 HIS H O 1 +ATOM 15535 C CB . HIS H 1 208 ? 11.827 83.639 117.895 1.00 23.47 ? ? ? ? ? ? 207 HIS H CB 1 +ATOM 15536 C CG . HIS H 1 208 ? 12.474 83.656 116.545 1.00 22.04 ? ? ? ? ? ? 207 HIS H CG 1 +ATOM 15537 N ND1 . HIS H 1 208 ? 11.861 84.170 115.425 1.00 25.11 ? ? ? ? ? ? 207 HIS H ND1 1 +ATOM 15538 C CD2 . HIS H 1 208 ? 13.706 83.263 116.149 1.00 20.93 ? ? ? ? ? ? 207 HIS H CD2 1 +ATOM 15539 C CE1 . HIS H 1 208 ? 12.686 84.087 114.394 1.00 18.85 ? ? ? ? ? ? 207 HIS H CE1 1 +ATOM 15540 N NE2 . HIS H 1 208 ? 13.816 83.554 114.809 1.00 21.42 ? ? ? ? ? ? 207 HIS H NE2 1 +ATOM 15541 N N . TRP H 1 209 ? 12.337 85.267 120.996 1.00 24.20 ? ? ? ? ? ? 208 TRP H N 1 +ATOM 15542 C CA . TRP H 1 209 ? 11.846 85.539 122.338 1.00 24.21 ? ? ? ? ? ? 208 TRP H CA 1 +ATOM 15543 C C . TRP H 1 209 ? 10.343 85.649 122.380 1.00 25.56 ? ? ? ? ? ? 208 TRP H C 1 +ATOM 15544 O O . TRP H 1 209 ? 9.738 85.208 123.342 1.00 25.53 ? ? ? ? ? ? 208 TRP H O 1 +ATOM 15545 C CB . TRP H 1 209 ? 12.499 86.801 122.935 1.00 24.64 ? ? ? ? ? ? 208 TRP H CB 1 +ATOM 15546 C CG . TRP H 1 209 ? 13.299 86.548 124.174 1.00 23.94 ? ? ? ? ? ? 208 TRP H CG 1 +ATOM 15547 C CD1 . TRP H 1 209 ? 12.963 86.892 125.443 1.00 24.31 ? ? ? ? ? ? 208 TRP H CD1 1 +ATOM 15548 C CD2 . TRP H 1 209 ? 14.581 85.907 124.264 1.00 22.97 ? ? ? ? ? ? 208 TRP H CD2 1 +ATOM 15549 N NE1 . TRP H 1 209 ? 13.958 86.502 126.329 1.00 22.27 ? ? ? ? ? ? 208 TRP H NE1 1 +ATOM 15550 C CE2 . TRP H 1 209 ? 14.945 85.881 125.638 1.00 24.13 ? ? ? ? ? ? 208 TRP H CE2 1 +ATOM 15551 C CE3 . TRP H 1 209 ? 15.437 85.329 123.332 1.00 22.82 ? ? ? ? ? ? 208 TRP H CE3 1 +ATOM 15552 C CZ2 . TRP H 1 209 ? 16.131 85.326 126.092 1.00 25.02 ? ? ? ? ? ? 208 TRP H CZ2 1 +ATOM 15553 C CZ3 . TRP H 1 209 ? 16.626 84.771 123.791 1.00 28.14 ? ? ? ? ? ? 208 TRP H CZ3 1 +ATOM 15554 C CH2 . TRP H 1 209 ? 16.962 84.778 125.160 1.00 26.44 ? ? ? ? ? ? 208 TRP H CH2 1 +ATOM 15555 N N . ASP H 1 210 ? 9.750 86.209 121.322 1.00 26.18 ? ? ? ? ? ? 209 ASP H N 1 +ATOM 15556 C CA . ASP H 1 210 ? 8.304 86.338 121.200 1.00 28.19 ? ? ? ? ? ? 209 ASP H CA 1 +ATOM 15557 C C . ASP H 1 210 ? 7.578 84.979 121.064 1.00 29.26 ? ? ? ? ? ? 209 ASP H C 1 +ATOM 15558 O O . ASP H 1 210 ? 6.437 84.853 121.465 1.00 29.49 ? ? ? ? ? ? 209 ASP H O 1 +ATOM 15559 C CB . ASP H 1 210 ? 7.930 87.266 120.019 1.00 28.62 ? ? ? ? ? ? 209 ASP H CB 1 +ATOM 15560 C CG . ASP H 1 210 ? 8.380 86.730 118.677 1.00 31.11 ? ? ? ? ? ? 209 ASP H CG 1 +ATOM 15561 O OD1 . ASP H 1 210 ? 9.531 86.248 118.566 1.00 30.90 ? ? ? ? ? ? 209 ASP H OD1 1 +ATOM 15562 O OD2 . ASP H 1 210 ? 7.584 86.790 117.725 1.00 34.72 ? ? ? ? ? ? 209 ASP H OD2 1 +ATOM 15563 N N . LYS H 1 211 ? 8.248 83.973 120.521 1.00 29.49 ? ? ? ? ? ? 210 LYS H N 1 +ATOM 15564 C CA . LYS H 1 211 ? 7.642 82.649 120.329 1.00 29.84 ? ? ? ? ? ? 210 LYS H CA 1 +ATOM 15565 C C . LYS H 1 211 ? 7.975 81.649 121.443 1.00 29.80 ? ? ? ? ? ? 210 LYS H C 1 +ATOM 15566 O O . LYS H 1 211 ? 7.227 80.706 121.675 1.00 31.10 ? ? ? ? ? ? 210 LYS H O 1 +ATOM 15567 C CB . LYS H 1 211 ? 8.118 82.045 119.000 1.00 29.96 ? ? ? ? ? ? 210 LYS H CB 1 +ATOM 15568 C CG . LYS H 1 211 ? 7.908 82.916 117.761 1.00 33.17 ? ? ? ? ? ? 210 LYS H CG 1 +ATOM 15569 C CD . LYS H 1 211 ? 6.508 82.815 117.227 1.00 37.97 ? ? ? ? ? ? 210 LYS H CD 1 +ATOM 15570 C CE . LYS H 1 211 ? 6.255 83.880 116.186 1.00 45.83 ? ? ? ? ? ? 210 LYS H CE 1 +ATOM 15571 N NZ . LYS H 1 211 ? 7.498 84.434 115.626 1.00 50.38 ? ? ? ? ? ? 210 LYS H NZ 1 +ATOM 15572 N N . ALA H 1 212 ? 9.114 81.860 122.095 1.00 29.05 ? ? ? ? ? ? 211 ALA H N 1 +ATOM 15573 C CA . ALA H 1 212 ? 9.724 80.894 122.964 1.00 28.78 ? ? ? ? ? ? 211 ALA H CA 1 +ATOM 15574 C C . ALA H 1 212 ? 9.703 81.237 124.464 1.00 30.24 ? ? ? ? ? ? 211 ALA H C 1 +ATOM 15575 O O . ALA H 1 212 ? 10.107 80.402 125.272 1.00 31.71 ? ? ? ? ? ? 211 ALA H O 1 +ATOM 15576 C CB . ALA H 1 212 ? 11.141 80.688 122.522 1.00 28.50 ? ? ? ? ? ? 211 ALA H CB 1 +ATOM 15577 N N . THR H 1 213 ? 9.298 82.457 124.830 1.00 30.30 ? ? ? ? ? ? 212 THR H N 1 +ATOM 15578 C CA . THR H 1 213 ? 9.197 82.870 126.250 1.00 29.81 ? ? ? ? ? ? 212 THR H CA 1 +ATOM 15579 C C . THR H 1 213 ? 7.861 83.555 126.549 1.00 32.20 ? ? ? ? ? ? 212 THR H C 1 +ATOM 15580 O O . THR H 1 213 ? 7.157 83.998 125.641 1.00 35.01 ? ? ? ? ? ? 212 THR H O 1 +ATOM 15581 C CB . THR H 1 213 ? 10.353 83.827 126.682 1.00 28.69 ? ? ? ? ? ? 212 THR H CB 1 +ATOM 15582 O OG1 . THR H 1 213 ? 10.151 85.117 126.095 1.00 27.40 ? ? ? ? ? ? 212 THR H OG1 1 +ATOM 15583 C CG2 . THR H 1 213 ? 11.748 83.251 126.272 1.00 20.24 ? ? ? ? ? ? 212 THR H CG2 1 +ATOM 15584 N N . VAL H 1 214 ? 7.526 83.629 127.834 1.00 32.73 ? ? ? ? ? ? 213 VAL H N 1 +ATOM 15585 C CA . VAL H 1 214 ? 6.314 84.308 128.303 1.00 33.43 ? ? ? ? ? ? 213 VAL H CA 1 +ATOM 15586 C C . VAL H 1 214 ? 6.681 85.616 128.994 1.00 31.25 ? ? ? ? ? ? 213 VAL H C 1 +ATOM 15587 O O . VAL H 1 214 ? 6.195 86.678 128.625 1.00 31.92 ? ? ? ? ? ? 213 VAL H O 1 +ATOM 15588 C CB . VAL H 1 214 ? 5.481 83.377 129.265 1.00 34.41 ? ? ? ? ? ? 213 VAL H CB 1 +ATOM 15589 C CG1 . VAL H 1 214 ? 4.145 84.003 129.600 1.00 35.26 ? ? ? ? ? ? 213 VAL H CG1 1 +ATOM 15590 C CG2 . VAL H 1 214 ? 5.272 81.990 128.603 1.00 36.92 ? ? ? ? ? ? 213 VAL H CG2 1 +ATOM 15591 N N . ASP H 1 215 ? 7.574 85.532 129.970 1.00 29.08 ? ? ? ? ? ? 214 ASP H N 1 +ATOM 15592 C CA . ASP H 1 215 ? 7.927 86.681 130.830 1.00 29.05 ? ? ? ? ? ? 214 ASP H CA 1 +ATOM 15593 C C . ASP H 1 215 ? 9.322 87.227 130.504 1.00 27.15 ? ? ? ? ? ? 214 ASP H C 1 +ATOM 15594 O O . ASP H 1 215 ? 9.807 88.100 131.194 1.00 25.70 ? ? ? ? ? ? 214 ASP H O 1 +ATOM 15595 C CB . ASP H 1 215 ? 7.837 86.275 132.306 1.00 29.64 ? ? ? ? ? ? 214 ASP H CB 1 +ATOM 15596 C CG . ASP H 1 215 ? 8.683 85.059 132.621 1.00 30.67 ? ? ? ? ? ? 214 ASP H CG 1 +ATOM 15597 O OD1 . ASP H 1 215 ? 9.813 84.977 132.085 1.00 30.12 ? ? ? ? ? ? 214 ASP H OD1 1 +ATOM 15598 O OD2 . ASP H 1 215 ? 8.215 84.173 133.374 1.00 35.01 ? ? ? ? ? ? 214 ASP H OD2 1 +ATOM 15599 N N . SER H 1 216 ? 9.908 86.711 129.416 1.00 25.72 ? ? ? ? ? ? 215 SER H N 1 +ATOM 15600 C CA . SER H 1 216 ? 11.249 87.027 128.910 1.00 25.46 ? ? ? ? ? ? 215 SER H CA 1 +ATOM 15601 C C . SER H 1 216 ? 12.353 86.174 129.556 1.00 25.17 ? ? ? ? ? ? 215 SER H C 1 +ATOM 15602 O O . SER H 1 216 ? 13.493 86.154 129.086 1.00 26.60 ? ? ? ? ? ? 215 SER H O 1 +ATOM 15603 C CB . SER H 1 216 ? 11.553 88.538 128.946 1.00 25.53 ? ? ? ? ? ? 215 SER H CB 1 +ATOM 15604 O OG . SER H 1 216 ? 12.112 88.929 130.168 1.00 24.90 ? ? ? ? ? ? 215 SER H OG 1 +ATOM 15605 N N . GLY H 1 217 ? 12.010 85.434 130.608 1.00 23.46 ? ? ? ? ? ? 216 GLY H N 1 +ATOM 15606 C CA . GLY H 1 217 ? 12.968 84.558 131.266 1.00 22.58 ? ? ? ? ? ? 216 GLY H CA 1 +ATOM 15607 C C . GLY H 1 217 ? 13.049 83.193 130.601 1.00 22.52 ? ? ? ? ? ? 216 GLY H C 1 +ATOM 15608 O O . GLY H 1 217 ? 12.092 82.738 129.958 1.00 21.81 ? ? ? ? ? ? 216 GLY H O 1 +ATOM 15609 N N . VAL H 1 218 ? 14.208 82.559 130.721 1.00 23.21 ? ? ? ? ? ? 217 VAL H N 1 +ATOM 15610 C CA . VAL H 1 218 ? 14.376 81.168 130.304 1.00 24.03 ? ? ? ? ? ? 217 VAL H CA 1 +ATOM 15611 C C . VAL H 1 218 ? 14.892 80.300 131.482 1.00 24.78 ? ? ? ? ? ? 217 VAL H C 1 +ATOM 15612 O O . VAL H 1 218 ? 16.091 80.149 131.692 1.00 24.05 ? ? ? ? ? ? 217 VAL H O 1 +ATOM 15613 C CB . VAL H 1 218 ? 15.303 81.022 129.071 1.00 24.33 ? ? ? ? ? ? 217 VAL H CB 1 +ATOM 15614 C CG1 . VAL H 1 218 ? 15.406 79.497 128.640 1.00 20.64 ? ? ? ? ? ? 217 VAL H CG1 1 +ATOM 15615 C CG2 . VAL H 1 218 ? 14.798 81.875 127.952 1.00 19.57 ? ? ? ? ? ? 217 VAL H CG2 1 +ATOM 15616 N N . GLY H 1 219 ? 13.952 79.694 132.207 1.00 25.15 ? ? ? ? ? ? 218 GLY H N 1 +ATOM 15617 C CA . GLY H 1 219 ? 14.266 78.906 133.385 1.00 25.70 ? ? ? ? ? ? 218 GLY H CA 1 +ATOM 15618 C C . GLY H 1 219 ? 13.555 79.450 134.605 1.00 26.46 ? ? ? ? ? ? 218 GLY H C 1 +ATOM 15619 O O . GLY H 1 219 ? 13.477 80.679 134.793 1.00 26.33 ? ? ? ? ? ? 218 GLY H O 1 +ATOM 15620 N N . ASN H 1 220 ? 13.042 78.545 135.443 1.00 27.19 ? ? ? ? ? ? 219 ASN H N 1 +ATOM 15621 C CA . ASN H 1 220 ? 12.332 78.945 136.668 1.00 26.43 ? ? ? ? ? ? 219 ASN H CA 1 +ATOM 15622 C C . ASN H 1 220 ? 13.358 79.345 137.732 1.00 24.40 ? ? ? ? ? ? 219 ASN H C 1 +ATOM 15623 O O . ASN H 1 220 ? 14.169 78.503 138.168 1.00 25.75 ? ? ? ? ? ? 219 ASN H O 1 +ATOM 15624 C CB . ASN H 1 220 ? 11.407 77.824 137.177 1.00 26.52 ? ? ? ? ? ? 219 ASN H CB 1 +ATOM 15625 C CG . ASN H 1 220 ? 10.406 78.293 138.254 1.00 29.81 ? ? ? ? ? ? 219 ASN H CG 1 +ATOM 15626 O OD1 . ASN H 1 220 ? 10.659 79.243 139.008 1.00 23.88 ? ? ? ? ? ? 219 ASN H OD1 1 +ATOM 15627 N ND2 . ASN H 1 220 ? 9.259 77.605 138.328 1.00 24.17 ? ? ? ? ? ? 219 ASN H ND2 1 +ATOM 15628 N N . PRO H 1 221 ? 13.342 80.630 138.153 1.00 23.44 ? ? ? ? ? ? 220 PRO H N 1 +ATOM 15629 C CA . PRO H 1 221 ? 14.316 81.104 139.134 1.00 24.85 ? ? ? ? ? ? 220 PRO H CA 1 +ATOM 15630 C C . PRO H 1 221 ? 13.940 80.816 140.606 1.00 25.77 ? ? ? ? ? ? 220 PRO H C 1 +ATOM 15631 O O . PRO H 1 221 ? 14.730 81.146 141.477 1.00 24.17 ? ? ? ? ? ? 220 PRO H O 1 +ATOM 15632 C CB . PRO H 1 221 ? 14.315 82.615 138.895 1.00 23.63 ? ? ? ? ? ? 220 PRO H CB 1 +ATOM 15633 C CG . PRO H 1 221 ? 12.885 82.908 138.528 1.00 22.76 ? ? ? ? ? ? 220 PRO H CG 1 +ATOM 15634 C CD . PRO H 1 221 ? 12.407 81.709 137.754 1.00 21.53 ? ? ? ? ? ? 220 PRO H CD 1 +ATOM 15635 N N . LYS H 1 222 ? 12.785 80.179 140.866 1.00 27.14 ? ? ? ? ? ? 221 LYS H N 1 +ATOM 15636 C CA . LYS H 1 222 ? 12.158 80.135 142.222 1.00 27.93 ? ? ? ? ? ? 221 LYS H CA 1 +ATOM 15637 C C . LYS H 1 222 ? 12.997 79.579 143.382 1.00 26.80 ? ? ? ? ? ? 221 LYS H C 1 +ATOM 15638 O O . LYS H 1 222 ? 12.770 79.943 144.531 1.00 26.75 ? ? ? ? ? ? 221 LYS H O 1 +ATOM 15639 C CB . LYS H 1 222 ? 10.784 79.415 142.190 1.00 26.46 ? ? ? ? ? ? 221 LYS H CB 1 +ATOM 15640 C CG . LYS H 1 222 ? 10.874 77.865 142.093 1.00 33.92 ? ? ? ? ? ? 221 LYS H CG 1 +ATOM 15641 C CD . LYS H 1 222 ? 9.480 77.196 142.304 1.00 33.90 ? ? ? ? ? ? 221 LYS H CD 1 +ATOM 15642 C CE . LYS H 1 222 ? 9.494 75.708 142.014 1.00 35.70 ? ? ? ? ? ? 221 LYS H CE 1 +ATOM 15643 N NZ . LYS H 1 222 ? 8.100 75.195 142.086 1.00 43.53 ? ? ? ? ? ? 221 LYS H NZ 1 +ATOM 15644 N N . LYS H 1 223 ? 13.953 78.706 143.084 1.00 26.57 ? ? ? ? ? ? 222 LYS H N 1 +ATOM 15645 C CA . LYS H 1 223 ? 14.837 78.144 144.105 1.00 26.66 ? ? ? ? ? ? 222 LYS H CA 1 +ATOM 15646 C C . LYS H 1 223 ? 16.126 78.921 144.323 1.00 24.64 ? ? ? ? ? ? 222 LYS H C 1 +ATOM 15647 O O . LYS H 1 223 ? 16.972 78.502 145.091 1.00 24.12 ? ? ? ? ? ? 222 LYS H O 1 +ATOM 15648 C CB . LYS H 1 223 ? 15.141 76.655 143.802 1.00 27.24 ? ? ? ? ? ? 222 LYS H CB 1 +ATOM 15649 C CG . LYS H 1 223 ? 13.898 75.806 143.911 1.00 31.22 ? ? ? ? ? ? 222 LYS H CG 1 +ATOM 15650 C CD . LYS H 1 223 ? 14.148 74.350 143.667 1.00 39.55 ? ? ? ? ? ? 222 LYS H CD 1 +ATOM 15651 C CE . LYS H 1 223 ? 12.825 73.596 143.577 1.00 47.63 ? ? ? ? ? ? 222 LYS H CE 1 +ATOM 15652 N NZ . LYS H 1 223 ? 13.015 72.209 143.080 1.00 51.09 ? ? ? ? ? ? 222 LYS H NZ 1 +ATOM 15653 N N . ALA H 1 224 ? 16.254 80.061 143.659 1.00 24.13 ? ? ? ? ? ? 223 ALA H N 1 +ATOM 15654 C CA . ALA H 1 224 ? 17.371 80.982 143.840 1.00 22.67 ? ? ? ? ? ? 223 ALA H CA 1 +ATOM 15655 C C . ALA H 1 224 ? 17.531 81.440 145.304 1.00 22.91 ? ? ? ? ? ? 223 ALA H C 1 +ATOM 15656 O O . ALA H 1 224 ? 16.559 81.791 145.996 1.00 22.18 ? ? ? ? ? ? 223 ALA H O 1 +ATOM 15657 C CB . ALA H 1 224 ? 17.185 82.201 142.931 1.00 19.41 ? ? ? ? ? ? 223 ALA H CB 1 +ATOM 15658 N N . THR H 1 225 ? 18.775 81.428 145.766 1.00 22.38 ? ? ? ? ? ? 224 THR H N 1 +ATOM 15659 C CA . THR H 1 225 ? 19.149 82.015 147.042 1.00 22.08 ? ? ? ? ? ? 224 THR H CA 1 +ATOM 15660 C C . THR H 1 225 ? 20.510 82.743 146.938 1.00 22.20 ? ? ? ? ? ? 224 THR H C 1 +ATOM 15661 O O . THR H 1 225 ? 21.338 82.424 146.070 1.00 21.09 ? ? ? ? ? ? 224 THR H O 1 +ATOM 15662 C CB . THR H 1 225 ? 19.264 80.983 148.140 1.00 22.93 ? ? ? ? ? ? 224 THR H CB 1 +ATOM 15663 O OG1 . THR H 1 225 ? 20.451 80.216 147.946 1.00 20.22 ? ? ? ? ? ? 224 THR H OG1 1 +ATOM 15664 C CG2 . THR H 1 225 ? 17.982 80.059 148.226 1.00 19.56 ? ? ? ? ? ? 224 THR H CG2 1 +ATOM 15665 N N . ALA H 1 226 ? 20.696 83.740 147.822 1.00 21.77 ? ? ? ? ? ? 225 ALA H N 1 +ATOM 15666 C CA . ALA H 1 226 ? 21.967 84.469 147.968 1.00 21.20 ? ? ? ? ? ? 225 ALA H CA 1 +ATOM 15667 C C . ALA H 1 226 ? 23.112 83.537 148.245 1.00 23.81 ? ? ? ? ? ? 225 ALA H C 1 +ATOM 15668 O O . ALA H 1 226 ? 24.206 83.727 147.728 1.00 24.00 ? ? ? ? ? ? 225 ALA H O 1 +ATOM 15669 C CB . ALA H 1 226 ? 21.874 85.545 149.060 1.00 16.98 ? ? ? ? ? ? 225 ALA H CB 1 +ATOM 15670 N N . GLU H 1 227 ? 22.893 82.524 149.070 1.00 25.81 ? ? ? ? ? ? 226 GLU H N 1 +ATOM 15671 C CA . GLU H 1 227 ? 23.987 81.653 149.472 1.00 27.33 ? ? ? ? ? ? 226 GLU H CA 1 +ATOM 15672 C C . GLU H 1 227 ? 24.443 80.777 148.301 1.00 24.47 ? ? ? ? ? ? 226 GLU H C 1 +ATOM 15673 O O . GLU H 1 227 ? 25.636 80.539 148.133 1.00 23.12 ? ? ? ? ? ? 226 GLU H O 1 +ATOM 15674 C CB . GLU H 1 227 ? 23.570 80.764 150.663 1.00 29.93 ? ? ? ? ? ? 226 GLU H CB 1 +ATOM 15675 C CG . GLU H 1 227 ? 24.731 80.001 151.335 1.00 37.14 ? ? ? ? ? ? 226 GLU H CG 1 +ATOM 15676 C CD . GLU H 1 227 ? 24.263 78.793 152.166 1.00 39.90 ? ? ? ? ? ? 226 GLU H CD 1 +ATOM 15677 O OE1 . GLU H 1 227 ? 24.020 77.708 151.560 1.00 54.83 ? ? ? ? ? ? 226 GLU H OE1 1 +ATOM 15678 O OE2 . GLU H 1 227 ? 24.156 78.936 153.410 1.00 48.98 ? ? ? ? ? ? 226 GLU H OE2 1 +ATOM 15679 N N . LYS H 1 228 ? 23.490 80.261 147.523 1.00 23.14 ? ? ? ? ? ? 227 LYS H N 1 +ATOM 15680 C CA . LYS H 1 228 ? 23.830 79.511 146.331 1.00 23.64 ? ? ? ? ? ? 227 LYS H CA 1 +ATOM 15681 C C . LYS H 1 228 ? 24.671 80.357 145.368 1.00 23.50 ? ? ? ? ? ? 227 LYS H C 1 +ATOM 15682 O O . LYS H 1 228 ? 25.581 79.839 144.749 1.00 23.52 ? ? ? ? ? ? 227 LYS H O 1 +ATOM 15683 C CB . LYS H 1 228 ? 22.575 79.064 145.602 1.00 23.53 ? ? ? ? ? ? 227 LYS H CB 1 +ATOM 15684 C CG . LYS H 1 228 ? 21.827 77.902 146.202 1.00 24.75 ? ? ? ? ? ? 227 LYS H CG 1 +ATOM 15685 C CD . LYS H 1 228 ? 20.674 77.580 145.276 1.00 23.35 ? ? ? ? ? ? 227 LYS H CD 1 +ATOM 15686 C CE . LYS H 1 228 ? 19.960 76.346 145.679 1.00 26.02 ? ? ? ? ? ? 227 LYS H CE 1 +ATOM 15687 N NZ . LYS H 1 228 ? 18.728 76.187 144.873 1.00 27.65 ? ? ? ? ? ? 227 LYS H NZ 1 +ATOM 15688 N N . GLY H 1 229 ? 24.336 81.640 145.234 1.00 23.21 ? ? ? ? ? ? 228 GLY H N 1 +ATOM 15689 C CA . GLY H 1 229 ? 25.108 82.582 144.426 1.00 22.73 ? ? ? ? ? ? 228 GLY H CA 1 +ATOM 15690 C C . GLY H 1 229 ? 26.517 82.805 144.936 1.00 23.72 ? ? ? ? ? ? 228 GLY H C 1 +ATOM 15691 O O . GLY H 1 229 ? 27.486 82.799 144.179 1.00 23.21 ? ? ? ? ? ? 228 GLY H O 1 +ATOM 15692 N N . GLU H 1 230 ? 26.638 82.984 146.238 1.00 24.68 ? ? ? ? ? ? 229 GLU H N 1 +ATOM 15693 C CA . GLU H 1 230 ? 27.927 83.134 146.878 1.00 26.28 ? ? ? ? ? ? 229 GLU H CA 1 +ATOM 15694 C C . GLU H 1 230 ? 28.853 81.959 146.646 1.00 25.40 ? ? ? ? ? ? 229 GLU H C 1 +ATOM 15695 O O . GLU H 1 230 ? 30.048 82.156 146.378 1.00 24.76 ? ? ? ? ? ? 229 GLU H O 1 +ATOM 15696 C CB . GLU H 1 230 ? 27.742 83.328 148.365 1.00 24.67 ? ? ? ? ? ? 229 GLU H CB 1 +ATOM 15697 C CG . GLU H 1 230 ? 29.025 83.600 149.087 1.00 29.56 ? ? ? ? ? ? 229 GLU H CG 1 +ATOM 15698 C CD . GLU H 1 230 ? 28.788 83.865 150.554 1.00 37.38 ? ? ? ? ? ? 229 GLU H CD 1 +ATOM 15699 O OE1 . GLU H 1 230 ? 27.874 83.226 151.148 1.00 48.32 ? ? ? ? ? ? 229 GLU H OE1 1 +ATOM 15700 O OE2 . GLU H 1 230 ? 29.513 84.719 151.113 1.00 51.16 ? ? ? ? ? ? 229 GLU H OE2 1 +ATOM 15701 N N . ARG H 1 231 ? 28.301 80.751 146.779 1.00 25.05 ? ? ? ? ? ? 230 ARG H N 1 +ATOM 15702 C CA A ARG H 1 231 ? 29.012 79.478 146.559 0.50 26.73 ? ? ? ? ? ? 230 ARG H CA 1 +ATOM 15703 C CA B ARG H 1 231 ? 29.089 79.545 146.593 0.50 27.18 ? ? ? ? ? ? 230 ARG H CA 1 +ATOM 15704 C C . ARG H 1 231 ? 29.497 79.323 145.128 1.00 24.80 ? ? ? ? ? ? 230 ARG H C 1 +ATOM 15705 O O . ARG H 1 231 ? 30.566 78.805 144.872 1.00 24.92 ? ? ? ? ? ? 230 ARG H O 1 +ATOM 15706 C CB A ARG H 1 231 ? 28.089 78.276 146.854 0.50 26.80 ? ? ? ? ? ? 230 ARG H CB 1 +ATOM 15707 C CB B ARG H 1 231 ? 28.344 78.339 147.174 0.50 27.56 ? ? ? ? ? ? 230 ARG H CB 1 +ATOM 15708 C CG A ARG H 1 231 ? 28.006 77.846 148.313 0.50 31.58 ? ? ? ? ? ? 230 ARG H CG 1 +ATOM 15709 C CG B ARG H 1 231 ? 28.244 78.369 148.717 0.50 30.17 ? ? ? ? ? ? 230 ARG H CG 1 +ATOM 15710 C CD A ARG H 1 231 ? 27.653 76.331 148.465 0.50 31.18 ? ? ? ? ? ? 230 ARG H CD 1 +ATOM 15711 C CD B ARG H 1 231 ? 27.642 77.059 149.218 0.50 33.99 ? ? ? ? ? ? 230 ARG H CD 1 +ATOM 15712 N NE A ARG H 1 231 ? 26.210 76.062 148.447 0.50 36.68 ? ? ? ? ? ? 230 ARG H NE 1 +ATOM 15713 N NE B ARG H 1 231 ? 27.389 76.996 150.660 0.50 38.03 ? ? ? ? ? ? 230 ARG H NE 1 +ATOM 15714 C CZ A ARG H 1 231 ? 25.492 75.755 147.368 0.50 29.52 ? ? ? ? ? ? 230 ARG H CZ 1 +ATOM 15715 C CZ B ARG H 1 231 ? 26.619 76.073 151.239 0.50 39.15 ? ? ? ? ? ? 230 ARG H CZ 1 +ATOM 15716 N NH1 A ARG H 1 231 ? 26.053 75.671 146.180 0.50 32.19 ? ? ? ? ? ? 230 ARG H NH1 1 +ATOM 15717 N NH1 B ARG H 1 231 ? 26.013 75.142 150.508 0.50 36.35 ? ? ? ? ? ? 230 ARG H NH1 1 +ATOM 15718 N NH2 A ARG H 1 231 ? 24.192 75.542 147.476 0.50 31.02 ? ? ? ? ? ? 230 ARG H NH2 1 +ATOM 15719 N NH2 B ARG H 1 231 ? 26.444 76.081 152.554 0.50 42.35 ? ? ? ? ? ? 230 ARG H NH2 1 +ATOM 15720 N N . TYR H 1 232 ? 28.650 79.733 144.184 1.00 23.17 ? ? ? ? ? ? 231 TYR H N 1 +ATOM 15721 C CA . TYR H 1 232 ? 28.973 79.632 142.766 1.00 22.73 ? ? ? ? ? ? 231 TYR H CA 1 +ATOM 15722 C C . TYR H 1 232 ? 30.065 80.572 142.367 1.00 22.10 ? ? ? ? ? ? 231 TYR H C 1 +ATOM 15723 O O . TYR H 1 232 ? 30.950 80.171 141.621 1.00 24.62 ? ? ? ? ? ? 231 TYR H O 1 +ATOM 15724 C CB . TYR H 1 232 ? 27.742 79.908 141.920 1.00 23.46 ? ? ? ? ? ? 231 TYR H CB 1 +ATOM 15725 C CG . TYR H 1 232 ? 27.890 79.766 140.435 1.00 20.74 ? ? ? ? ? ? 231 TYR H CG 1 +ATOM 15726 C CD1 . TYR H 1 232 ? 28.541 78.685 139.875 1.00 19.22 ? ? ? ? ? ? 231 TYR H CD1 1 +ATOM 15727 C CD2 . TYR H 1 232 ? 27.306 80.689 139.580 1.00 21.57 ? ? ? ? ? ? 231 TYR H CD2 1 +ATOM 15728 C CE1 . TYR H 1 232 ? 28.643 78.553 138.502 1.00 18.85 ? ? ? ? ? ? 231 TYR H CE1 1 +ATOM 15729 C CE2 . TYR H 1 232 ? 27.371 80.549 138.214 1.00 21.19 ? ? ? ? ? ? 231 TYR H CE2 1 +ATOM 15730 C CZ . TYR H 1 232 ? 28.074 79.506 137.674 1.00 21.14 ? ? ? ? ? ? 231 TYR H CZ 1 +ATOM 15731 O OH . TYR H 1 232 ? 28.151 79.386 136.304 1.00 20.31 ? ? ? ? ? ? 231 TYR H OH 1 +ATOM 15732 N N . VAL H 1 233 ? 30.002 81.820 142.824 1.00 22.33 ? ? ? ? ? ? 232 VAL H N 1 +ATOM 15733 C CA . VAL H 1 233 ? 30.941 82.827 142.336 1.00 22.22 ? ? ? ? ? ? 232 VAL H CA 1 +ATOM 15734 C C . VAL H 1 233 ? 32.299 82.631 142.947 1.00 23.50 ? ? ? ? ? ? 232 VAL H C 1 +ATOM 15735 O O . VAL H 1 233 ? 33.288 83.073 142.354 1.00 23.59 ? ? ? ? ? ? 232 VAL H O 1 +ATOM 15736 C CB . VAL H 1 233 ? 30.472 84.303 142.491 1.00 23.88 ? ? ? ? ? ? 232 VAL H CB 1 +ATOM 15737 C CG1 . VAL H 1 233 ? 29.156 84.554 141.718 1.00 22.84 ? ? ? ? ? ? 232 VAL H CG1 1 +ATOM 15738 C CG2 . VAL H 1 233 ? 30.371 84.724 143.941 1.00 20.06 ? ? ? ? ? ? 232 VAL H CG2 1 +ATOM 15739 N N . LYS H 1 234 ? 32.387 81.933 144.085 1.00 23.09 ? ? ? ? ? ? 233 LYS H N 1 +ATOM 15740 C CA . LYS H 1 234 ? 33.676 81.753 144.727 1.00 23.65 ? ? ? ? ? ? 233 LYS H CA 1 +ATOM 15741 C C . LYS H 1 234 ? 34.772 81.119 143.853 1.00 22.34 ? ? ? ? ? ? 233 LYS H C 1 +ATOM 15742 O O . LYS H 1 234 ? 35.860 81.653 143.766 1.00 23.70 ? ? ? ? ? ? 233 LYS H O 1 +ATOM 15743 C CB . LYS H 1 234 ? 33.523 80.965 146.029 1.00 25.63 ? ? ? ? ? ? 233 LYS H CB 1 +ATOM 15744 C CG . LYS H 1 234 ? 34.789 80.947 146.820 1.00 23.38 ? ? ? ? ? ? 233 LYS H CG 1 +ATOM 15745 C CD . LYS H 1 234 ? 34.679 79.986 148.019 1.00 40.94 ? ? ? ? ? ? 233 LYS H CD 1 +ATOM 15746 C CE . LYS H 1 234 ? 36.048 79.699 148.653 1.00 45.57 ? ? ? ? ? ? 233 LYS H CE 1 +ATOM 15747 N NZ . LYS H 1 234 ? 36.393 80.678 149.713 1.00 50.55 ? ? ? ? ? ? 233 LYS H NZ 1 +ATOM 15748 N N . PRO H 1 235 ? 34.513 79.949 143.269 1.00 21.74 ? ? ? ? ? ? 234 PRO H N 1 +ATOM 15749 C CA . PRO H 1 235 ? 35.472 79.348 142.323 1.00 21.87 ? ? ? ? ? ? 234 PRO H CA 1 +ATOM 15750 C C . PRO H 1 235 ? 35.654 80.111 141.005 1.00 20.90 ? ? ? ? ? ? 234 PRO H C 1 +ATOM 15751 O O . PRO H 1 235 ? 36.721 80.022 140.390 1.00 20.63 ? ? ? ? ? ? 234 PRO H O 1 +ATOM 15752 C CB . PRO H 1 235 ? 34.871 77.979 142.051 1.00 20.18 ? ? ? ? ? ? 234 PRO H CB 1 +ATOM 15753 C CG . PRO H 1 235 ? 33.405 78.155 142.291 1.00 23.04 ? ? ? ? ? ? 234 PRO H CG 1 +ATOM 15754 C CD . PRO H 1 235 ? 33.346 79.073 143.465 1.00 20.75 ? ? ? ? ? ? 234 PRO H CD 1 +ATOM 15755 N N . ILE H 1 236 ? 34.633 80.865 140.589 1.00 21.45 ? ? ? ? ? ? 235 ILE H N 1 +ATOM 15756 C CA . ILE H 1 236 ? 34.728 81.719 139.384 1.00 20.66 ? ? ? ? ? ? 235 ILE H CA 1 +ATOM 15757 C C . ILE H 1 236 ? 35.734 82.842 139.641 1.00 20.73 ? ? ? ? ? ? 235 ILE H C 1 +ATOM 15758 O O . ILE H 1 236 ? 36.634 83.060 138.830 1.00 22.21 ? ? ? ? ? ? 235 ILE H O 1 +ATOM 15759 C CB . ILE H 1 236 ? 33.329 82.276 138.957 1.00 22.10 ? ? ? ? ? ? 235 ILE H CB 1 +ATOM 15760 C CG1 . ILE H 1 236 ? 32.422 81.127 138.495 1.00 17.45 ? ? ? ? ? ? 235 ILE H CG1 1 +ATOM 15761 C CG2 . ILE H 1 236 ? 33.429 83.335 137.828 1.00 17.99 ? ? ? ? ? ? 235 ILE H CG2 1 +ATOM 15762 C CD1 . ILE H 1 236 ? 31.040 81.550 138.325 1.00 18.50 ? ? ? ? ? ? 235 ILE H CD1 1 +ATOM 15763 N N . VAL H 1 237 ? 35.603 83.521 140.778 1.00 20.20 ? ? ? ? ? ? 236 VAL H N 1 +ATOM 15764 C CA . VAL H 1 237 ? 36.504 84.612 141.179 1.00 19.98 ? ? ? ? ? ? 236 VAL H CA 1 +ATOM 15765 C C . VAL H 1 237 ? 37.928 84.091 141.314 1.00 21.56 ? ? ? ? ? ? 236 VAL H C 1 +ATOM 15766 O O . VAL H 1 237 ? 38.886 84.726 140.892 1.00 21.18 ? ? ? ? ? ? 236 VAL H O 1 +ATOM 15767 C CB . VAL H 1 237 ? 36.050 85.281 142.505 1.00 20.69 ? ? ? ? ? ? 236 VAL H CB 1 +ATOM 15768 C CG1 . VAL H 1 237 ? 37.169 86.139 143.113 1.00 16.74 ? ? ? ? ? ? 236 VAL H CG1 1 +ATOM 15769 C CG2 . VAL H 1 237 ? 34.732 86.091 142.318 1.00 14.34 ? ? ? ? ? ? 236 VAL H CG2 1 +ATOM 15770 N N . GLU H 1 238 ? 38.048 82.906 141.896 1.00 22.99 ? ? ? ? ? ? 237 GLU H N 1 +ATOM 15771 C CA . GLU H 1 238 ? 39.350 82.241 142.079 1.00 23.13 ? ? ? ? ? ? 237 GLU H CA 1 +ATOM 15772 C C . GLU H 1 238 ? 40.029 81.889 140.735 1.00 21.97 ? ? ? ? ? ? 237 GLU H C 1 +ATOM 15773 O O . GLU H 1 238 ? 41.240 82.097 140.582 1.00 21.57 ? ? ? ? ? ? 237 GLU H O 1 +ATOM 15774 C CB . GLU H 1 238 ? 39.169 80.964 142.937 1.00 23.92 ? ? ? ? ? ? 237 GLU H CB 1 +ATOM 15775 C CG . GLU H 1 238 ? 40.431 80.435 143.569 1.00 32.72 ? ? ? ? ? ? 237 GLU H CG 1 +ATOM 15776 C CD . GLU H 1 238 ? 41.360 79.730 142.564 1.00 40.27 ? ? ? ? ? ? 237 GLU H CD 1 +ATOM 15777 O OE1 . GLU H 1 238 ? 40.828 79.068 141.619 1.00 43.52 ? ? ? ? ? ? 237 GLU H OE1 1 +ATOM 15778 O OE2 . GLU H 1 238 ? 42.614 79.844 142.730 1.00 39.84 ? ? ? ? ? ? 237 GLU H OE2 1 +ATOM 15779 N N . LYS H 1 239 ? 39.276 81.302 139.802 1.00 21.74 ? ? ? ? ? ? 238 LYS H N 1 +ATOM 15780 C CA . LYS H 1 239 ? 39.837 80.963 138.501 1.00 23.28 ? ? ? ? ? ? 238 LYS H CA 1 +ATOM 15781 C C . LYS H 1 239 ? 40.195 82.210 137.680 1.00 22.12 ? ? ? ? ? ? 238 LYS H C 1 +ATOM 15782 O O . LYS H 1 239 ? 41.230 82.232 137.022 1.00 21.83 ? ? ? ? ? ? 238 LYS H O 1 +ATOM 15783 C CB . LYS H 1 239 ? 38.915 80.072 137.700 1.00 22.13 ? ? ? ? ? ? 238 LYS H CB 1 +ATOM 15784 C CG . LYS H 1 239 ? 38.929 78.618 138.070 1.00 28.34 ? ? ? ? ? ? 238 LYS H CG 1 +ATOM 15785 C CD . LYS H 1 239 ? 38.013 77.823 137.126 1.00 33.11 ? ? ? ? ? ? 238 LYS H CD 1 +ATOM 15786 C CE . LYS H 1 239 ? 37.776 76.402 137.625 1.00 44.69 ? ? ? ? ? ? 238 LYS H CE 1 +ATOM 15787 N NZ . LYS H 1 239 ? 39.055 75.648 137.807 1.00 45.67 ? ? ? ? ? ? 238 LYS H NZ 1 +ATOM 15788 N N . LEU H 1 240 ? 39.356 83.249 137.745 1.00 21.95 ? ? ? ? ? ? 239 LEU H N 1 +ATOM 15789 C CA . LEU H 1 240 ? 39.652 84.499 137.055 1.00 21.15 ? ? ? ? ? ? 239 LEU H CA 1 +ATOM 15790 C C . LEU H 1 240 ? 40.917 85.193 137.612 1.00 21.01 ? ? ? ? ? ? 239 LEU H C 1 +ATOM 15791 O O . LEU H 1 240 ? 41.723 85.673 136.805 1.00 19.91 ? ? ? ? ? ? 239 LEU H O 1 +ATOM 15792 C CB . LEU H 1 240 ? 38.455 85.454 137.009 1.00 20.68 ? ? ? ? ? ? 239 LEU H CB 1 +ATOM 15793 C CG . LEU H 1 240 ? 37.295 84.997 136.134 1.00 18.83 ? ? ? ? ? ? 239 LEU H CG 1 +ATOM 15794 C CD1 . LEU H 1 240 ? 36.028 85.822 136.436 1.00 19.03 ? ? ? ? ? ? 239 LEU H CD1 1 +ATOM 15795 C CD2 . LEU H 1 240 ? 37.714 85.056 134.640 1.00 21.22 ? ? ? ? ? ? 239 LEU H CD2 1 +ATOM 15796 N N . ALA H 1 241 ? 41.058 85.244 138.949 1.00 20.86 ? ? ? ? ? ? 240 ALA H N 1 +ATOM 15797 C CA . ALA H 1 241 ? 42.239 85.769 139.639 1.00 20.18 ? ? ? ? ? ? 240 ALA H CA 1 +ATOM 15798 C C . ALA H 1 241 ? 43.493 85.050 139.183 1.00 20.57 ? ? ? ? ? ? 240 ALA H C 1 +ATOM 15799 O O . ALA H 1 241 ? 44.507 85.673 138.920 1.00 22.12 ? ? ? ? ? ? 240 ALA H O 1 +ATOM 15800 C CB . ALA H 1 241 ? 42.097 85.591 141.170 1.00 18.62 ? ? ? ? ? ? 240 ALA H CB 1 +ATOM 15801 N N . GLY H 1 242 ? 43.405 83.723 139.107 1.00 20.71 ? ? ? ? ? ? 241 GLY H N 1 +ATOM 15802 C CA . GLY H 1 242 ? 44.461 82.903 138.513 1.00 21.45 ? ? ? ? ? ? 241 GLY H CA 1 +ATOM 15803 C C . GLY H 1 242 ? 44.812 83.269 137.066 1.00 21.62 ? ? ? ? ? ? 241 GLY H C 1 +ATOM 15804 O O . GLY H 1 242 ? 45.972 83.418 136.733 1.00 21.62 ? ? ? ? ? ? 241 GLY H O 1 +ATOM 15805 N N . LEU H 1 243 ? 43.803 83.426 136.212 1.00 21.26 ? ? ? ? ? ? 242 LEU H N 1 +ATOM 15806 C CA . LEU H 1 243 ? 44.013 83.958 134.851 1.00 21.22 ? ? ? ? ? ? 242 LEU H CA 1 +ATOM 15807 C C . LEU H 1 243 ? 44.695 85.338 134.843 1.00 21.74 ? ? ? ? ? ? 242 LEU H C 1 +ATOM 15808 O O . LEU H 1 243 ? 45.667 85.548 134.086 1.00 21.04 ? ? ? ? ? ? 242 LEU H O 1 +ATOM 15809 C CB . LEU H 1 243 ? 42.683 84.004 134.056 1.00 20.08 ? ? ? ? ? ? 242 LEU H CB 1 +ATOM 15810 C CG . LEU H 1 243 ? 42.657 84.609 132.641 1.00 22.55 ? ? ? ? ? ? 242 LEU H CG 1 +ATOM 15811 C CD1 . LEU H 1 243 ? 43.580 83.813 131.686 1.00 18.08 ? ? ? ? ? ? 242 LEU H CD1 1 +ATOM 15812 C CD2 . LEU H 1 243 ? 41.204 84.668 132.077 1.00 20.46 ? ? ? ? ? ? 242 LEU H CD2 1 +ATOM 15813 N N . PHE H 1 244 ? 44.194 86.276 135.666 1.00 22.07 ? ? ? ? ? ? 243 PHE H N 1 +ATOM 15814 C CA . PHE H 1 244 ? 44.773 87.634 135.672 1.00 23.19 ? ? ? ? ? ? 243 PHE H CA 1 +ATOM 15815 C C . PHE H 1 244 ? 46.270 87.553 136.031 1.00 24.01 ? ? ? ? ? ? 243 PHE H C 1 +ATOM 15816 O O . PHE H 1 244 ? 47.126 88.197 135.390 1.00 24.71 ? ? ? ? ? ? 243 PHE H O 1 +ATOM 15817 C CB . PHE H 1 244 ? 44.100 88.613 136.648 1.00 21.84 ? ? ? ? ? ? 243 PHE H CB 1 +ATOM 15818 C CG . PHE H 1 244 ? 42.622 88.822 136.457 1.00 22.01 ? ? ? ? ? ? 243 PHE H CG 1 +ATOM 15819 C CD1 . PHE H 1 244 ? 41.956 88.454 135.304 1.00 23.55 ? ? ? ? ? ? 243 PHE H CD1 1 +ATOM 15820 C CD2 . PHE H 1 244 ? 41.885 89.457 137.472 1.00 24.75 ? ? ? ? ? ? 243 PHE H CD2 1 +ATOM 15821 C CE1 . PHE H 1 244 ? 40.596 88.645 135.193 1.00 23.65 ? ? ? ? ? ? 243 PHE H CE1 1 +ATOM 15822 C CE2 . PHE H 1 244 ? 40.530 89.671 137.346 1.00 22.66 ? ? ? ? ? ? 243 PHE H CE2 1 +ATOM 15823 C CZ . PHE H 1 244 ? 39.876 89.241 136.201 1.00 22.44 ? ? ? ? ? ? 243 PHE H CZ 1 +ATOM 15824 N N . GLU H 1 245 ? 46.570 86.760 137.059 1.00 23.71 ? ? ? ? ? ? 244 GLU H N 1 +ATOM 15825 C CA . GLU H 1 245 ? 47.930 86.560 137.517 1.00 24.28 ? ? ? ? ? ? 244 GLU H CA 1 +ATOM 15826 C C . GLU H 1 245 ? 48.823 86.007 136.424 1.00 24.15 ? ? ? ? ? ? 244 GLU H C 1 +ATOM 15827 O O . GLU H 1 245 ? 49.957 86.465 136.264 1.00 25.41 ? ? ? ? ? ? 244 GLU H O 1 +ATOM 15828 C CB . GLU H 1 245 ? 47.968 85.613 138.719 1.00 23.50 ? ? ? ? ? ? 244 GLU H CB 1 +ATOM 15829 C CG . GLU H 1 245 ? 47.389 86.234 139.992 1.00 27.91 ? ? ? ? ? ? 244 GLU H CG 1 +ATOM 15830 C CD . GLU H 1 245 ? 46.974 85.235 141.081 1.00 27.66 ? ? ? ? ? ? 244 GLU H CD 1 +ATOM 15831 O OE1 . GLU H 1 245 ? 47.188 83.999 140.953 1.00 34.44 ? ? ? ? ? ? 244 GLU H OE1 1 +ATOM 15832 O OE2 . GLU H 1 245 ? 46.456 85.723 142.102 1.00 31.50 ? ? ? ? ? ? 244 GLU H OE2 1 +ATOM 15833 N N . GLU H 1 246 ? 48.337 84.995 135.710 1.00 24.55 ? ? ? ? ? ? 245 GLU H N 1 +ATOM 15834 C CA . GLU H 1 246 ? 49.138 84.346 134.665 1.00 25.42 ? ? ? ? ? ? 245 GLU H CA 1 +ATOM 15835 C C . GLU H 1 246 ? 49.331 85.269 133.446 1.00 25.95 ? ? ? ? ? ? 245 GLU H C 1 +ATOM 15836 O O . GLU H 1 246 ? 50.425 85.321 132.887 1.00 26.79 ? ? ? ? ? ? 245 GLU H O 1 +ATOM 15837 C CB . GLU H 1 246 ? 48.522 82.999 134.286 1.00 24.21 ? ? ? ? ? ? 245 GLU H CB 1 +ATOM 15838 C CG . GLU H 1 246 ? 48.679 81.958 135.359 1.00 24.07 ? ? ? ? ? ? 245 GLU H CG 1 +ATOM 15839 C CD . GLU H 1 246 ? 47.723 80.801 135.247 1.00 28.34 ? ? ? ? ? ? 245 GLU H CD 1 +ATOM 15840 O OE1 . GLU H 1 246 ? 46.900 80.791 134.330 1.00 28.64 ? ? ? ? ? ? 245 GLU H OE1 1 +ATOM 15841 O OE2 . GLU H 1 246 ? 47.791 79.878 136.094 1.00 37.23 ? ? ? ? ? ? 245 GLU H OE2 1 +ATOM 15842 N N . MSE H 1 247 ? 48.293 86.016 133.073 1.00 25.70 ? ? ? ? ? ? 246 MSE H N 1 +ATOM 15843 C CA . MSE H 1 247 ? 48.412 87.012 132.000 1.00 26.05 ? ? ? ? ? ? 246 MSE H CA 1 +ATOM 15844 C C . MSE H 1 247 ? 49.448 88.073 132.340 1.00 28.24 ? ? ? ? ? ? 246 MSE H C 1 +ATOM 15845 O O . MSE H 1 247 ? 50.206 88.461 131.479 1.00 28.70 ? ? ? ? ? ? 246 MSE H O 1 +ATOM 15846 C CB . MSE H 1 247 ? 47.084 87.703 131.688 1.00 26.07 ? ? ? ? ? ? 246 MSE H CB 1 +ATOM 15847 C CG . MSE H 1 247 ? 46.081 86.813 131.033 1.00 25.61 ? ? ? ? ? ? 246 MSE H CG 1 +ATOM 15848 SE SE . MSE H 1 247 ? 44.353 87.646 130.762 0.75 24.39 ? ? ? ? ? ? 246 MSE H SE 1 +ATOM 15849 C CE . MSE H 1 247 ? 44.554 88.752 129.191 1.00 23.68 ? ? ? ? ? ? 246 MSE H CE 1 +ATOM 15850 N N . ALA H 1 248 ? 49.484 88.516 133.596 1.00 29.53 ? ? ? ? ? ? 247 ALA H N 1 +ATOM 15851 C CA . ALA H 1 248 ? 50.464 89.479 134.062 1.00 30.33 ? ? ? ? ? ? 247 ALA H CA 1 +ATOM 15852 C C . ALA H 1 248 ? 51.890 88.917 134.087 1.00 30.69 ? ? ? ? ? ? 247 ALA H C 1 +ATOM 15853 O O . ALA H 1 248 ? 52.856 89.651 133.895 1.00 31.29 ? ? ? ? ? ? 247 ALA H O 1 +ATOM 15854 C CB . ALA H 1 248 ? 50.091 89.994 135.442 1.00 28.51 ? ? ? ? ? ? 247 ALA H CB 1 +ATOM 15855 N N . GLN H 1 249 ? 52.023 87.626 134.333 1.00 30.45 ? ? ? ? ? ? 248 GLN H N 1 +ATOM 15856 C CA . GLN H 1 249 ? 53.323 87.057 134.662 1.00 33.38 ? ? ? ? ? ? 248 GLN H CA 1 +ATOM 15857 C C . GLN H 1 249 ? 53.981 86.238 133.565 1.00 33.40 ? ? ? ? ? ? 248 GLN H C 1 +ATOM 15858 O O . GLN H 1 249 ? 55.139 85.908 133.686 1.00 34.15 ? ? ? ? ? ? 248 GLN H O 1 +ATOM 15859 C CB . GLN H 1 249 ? 53.173 86.237 135.934 1.00 34.31 ? ? ? ? ? ? 248 GLN H CB 1 +ATOM 15860 C CG . GLN H 1 249 ? 52.832 87.134 137.121 1.00 36.58 ? ? ? ? ? ? 248 GLN H CG 1 +ATOM 15861 C CD . GLN H 1 249 ? 52.682 86.397 138.417 1.00 37.30 ? ? ? ? ? ? 248 GLN H CD 1 +ATOM 15862 O OE1 . GLN H 1 249 ? 52.362 85.212 138.449 1.00 42.08 ? ? ? ? ? ? 248 GLN H OE1 1 +ATOM 15863 N NE2 . GLN H 1 249 ? 52.898 87.116 139.512 1.00 41.63 ? ? ? ? ? ? 248 GLN H NE2 1 +ATOM 15864 N N . HIS H 1 250 ? 53.244 85.933 132.505 1.00 32.75 ? ? ? ? ? ? 249 HIS H N 1 +ATOM 15865 C CA . HIS H 1 250 ? 53.765 85.128 131.392 1.00 32.89 ? ? ? ? ? ? 249 HIS H CA 1 +ATOM 15866 C C . HIS H 1 250 ? 53.448 85.789 130.056 1.00 32.25 ? ? ? ? ? ? 249 HIS H C 1 +ATOM 15867 O O . HIS H 1 250 ? 52.461 86.499 129.925 1.00 33.03 ? ? ? ? ? ? 249 HIS H O 1 +ATOM 15868 C CB . HIS H 1 250 ? 53.195 83.697 131.426 1.00 32.18 ? ? ? ? ? ? 249 HIS H CB 1 +ATOM 15869 C CG . HIS H 1 250 ? 53.674 82.889 132.587 1.00 32.34 ? ? ? ? ? ? 249 HIS H CG 1 +ATOM 15870 N ND1 . HIS H 1 250 ? 54.942 82.353 132.646 1.00 37.56 ? ? ? ? ? ? 249 HIS H ND1 1 +ATOM 15871 C CD2 . HIS H 1 250 ? 53.077 82.569 133.760 1.00 35.64 ? ? ? ? ? ? 249 HIS H CD2 1 +ATOM 15872 C CE1 . HIS H 1 250 ? 55.102 81.729 133.800 1.00 40.97 ? ? ? ? ? ? 249 HIS H CE1 1 +ATOM 15873 N NE2 . HIS H 1 250 ? 53.989 81.856 134.499 1.00 37.24 ? ? ? ? ? ? 249 HIS H NE2 1 +ATOM 15874 N N . ASP H 1 251 ? 54.299 85.564 129.061 1.00 32.12 ? ? ? ? ? ? 250 ASP H N 1 +ATOM 15875 C CA . ASP H 1 251 ? 53.927 85.872 127.679 1.00 31.54 ? ? ? ? ? ? 250 ASP H CA 1 +ATOM 15876 C C . ASP H 1 251 ? 52.978 84.785 127.248 1.00 28.11 ? ? ? ? ? ? 250 ASP H C 1 +ATOM 15877 O O . ASP H 1 251 ? 52.897 83.756 127.887 1.00 26.99 ? ? ? ? ? ? 250 ASP H O 1 +ATOM 15878 C CB . ASP H 1 251 ? 55.133 85.879 126.749 1.00 32.92 ? ? ? ? ? ? 250 ASP H CB 1 +ATOM 15879 C CG . ASP H 1 251 ? 56.139 86.951 127.089 1.00 39.68 ? ? ? ? ? ? 250 ASP H CG 1 +ATOM 15880 O OD1 . ASP H 1 251 ? 55.727 88.108 127.378 1.00 42.54 ? ? ? ? ? ? 250 ASP H OD1 1 +ATOM 15881 O OD2 . ASP H 1 251 ? 57.356 86.618 127.058 1.00 49.08 ? ? ? ? ? ? 250 ASP H OD2 1 +ATOM 15882 N N . LEU H 1 252 ? 52.263 85.024 126.156 1.00 26.69 ? ? ? ? ? ? 251 LEU H N 1 +ATOM 15883 C CA . LEU H 1 252 ? 51.332 84.052 125.618 1.00 25.82 ? ? ? ? ? ? 251 LEU H CA 1 +ATOM 15884 C C . LEU H 1 252 ? 52.072 82.753 125.315 1.00 25.73 ? ? ? ? ? ? 251 LEU H C 1 +ATOM 15885 O O . LEU H 1 252 ? 51.621 81.663 125.655 1.00 24.38 ? ? ? ? ? ? 251 LEU H O 1 +ATOM 15886 C CB . LEU H 1 252 ? 50.620 84.607 124.367 1.00 26.92 ? ? ? ? ? ? 251 LEU H CB 1 +ATOM 15887 C CG . LEU H 1 252 ? 49.433 83.774 123.858 1.00 20.29 ? ? ? ? ? ? 251 LEU H CG 1 +ATOM 15888 C CD1 . LEU H 1 252 ? 48.395 83.737 124.956 1.00 19.72 ? ? ? ? ? ? 251 LEU H CD1 1 +ATOM 15889 C CD2 . LEU H 1 252 ? 48.880 84.336 122.523 1.00 21.97 ? ? ? ? ? ? 251 LEU H CD2 1 +ATOM 15890 N N . TYR H 1 253 ? 53.239 82.869 124.718 1.00 26.72 ? ? ? ? ? ? 252 TYR H N 1 +ATOM 15891 C CA . TYR H 1 253 ? 54.056 81.689 124.454 1.00 28.37 ? ? ? ? ? ? 252 TYR H CA 1 +ATOM 15892 C C . TYR H 1 253 ? 55.444 81.925 125.026 1.00 31.70 ? ? ? ? ? ? 252 TYR H C 1 +ATOM 15893 O O . TYR H 1 253 ? 55.956 83.049 125.004 1.00 31.58 ? ? ? ? ? ? 252 TYR H O 1 +ATOM 15894 C CB . TYR H 1 253 ? 54.119 81.392 122.949 1.00 26.14 ? ? ? ? ? ? 252 TYR H CB 1 +ATOM 15895 C CG . TYR H 1 253 ? 52.805 80.903 122.338 1.00 22.72 ? ? ? ? ? ? 252 TYR H CG 1 +ATOM 15896 C CD1 . TYR H 1 253 ? 52.509 79.568 122.281 1.00 21.34 ? ? ? ? ? ? 252 TYR H CD1 1 +ATOM 15897 C CD2 . TYR H 1 253 ? 51.891 81.795 121.796 1.00 21.63 ? ? ? ? ? ? 252 TYR H CD2 1 +ATOM 15898 C CE1 . TYR H 1 253 ? 51.364 79.122 121.705 1.00 25.01 ? ? ? ? ? ? 252 TYR H CE1 1 +ATOM 15899 C CE2 . TYR H 1 253 ? 50.727 81.354 121.241 1.00 22.00 ? ? ? ? ? ? 252 TYR H CE2 1 +ATOM 15900 C CZ . TYR H 1 253 ? 50.472 80.024 121.182 1.00 19.22 ? ? ? ? ? ? 252 TYR H CZ 1 +ATOM 15901 O OH . TYR H 1 253 ? 49.318 79.558 120.612 1.00 21.89 ? ? ? ? ? ? 252 TYR H OH 1 +ATOM 15902 N N . GLU H 1 254 ? 56.038 80.872 125.579 1.00 36.42 ? ? ? ? ? ? 253 GLU H N 1 +ATOM 15903 C CA . GLU H 1 254 ? 57.305 81.011 126.279 1.00 38.55 ? ? ? ? ? ? 253 GLU H CA 1 +ATOM 15904 C C . GLU H 1 254 ? 58.184 79.794 126.029 1.00 44.08 ? ? ? ? ? ? 253 GLU H C 1 +ATOM 15905 O O . GLU H 1 254 ? 58.240 79.272 124.938 1.00 45.72 ? ? ? ? ? ? 253 GLU H O 1 +ATOM 15906 C CB . GLU H 1 254 ? 57.053 81.178 127.777 1.00 38.17 ? ? ? ? ? ? 253 GLU H CB 1 +ATOM 15907 C CG . GLU H 1 254 ? 56.511 82.539 128.151 1.00 37.33 ? ? ? ? ? ? 253 GLU H CG 1 +ATOM 15908 C CD . GLU H 1 254 ? 56.564 82.818 129.638 1.00 35.64 ? ? ? ? ? ? 253 GLU H CD 1 +ATOM 15909 O OE1 . GLU H 1 254 ? 56.521 81.848 130.444 1.00 32.69 ? ? ? ? ? ? 253 GLU H OE1 1 +ATOM 15910 O OE2 . GLU H 1 254 ? 56.645 84.023 129.985 1.00 35.40 ? ? ? ? ? ? 253 GLU H OE2 1 +ATOM 15911 O OXT . GLU H 1 254 ? 58.844 79.291 126.931 1.00 46.19 ? ? ? ? ? ? 253 GLU H OXT 1 +ATOM 15912 N N . MSE I 1 2 ? 28.346 63.930 89.335 1.00 39.28 ? ? ? ? ? ? 1 MSE I N 1 +ATOM 15913 C CA . MSE I 1 2 ? 27.944 65.297 88.877 1.00 40.09 ? ? ? ? ? ? 1 MSE I CA 1 +ATOM 15914 C C . MSE I 1 2 ? 26.420 65.418 88.924 1.00 37.52 ? ? ? ? ? ? 1 MSE I C 1 +ATOM 15915 O O . MSE I 1 2 ? 25.735 64.680 88.243 1.00 37.87 ? ? ? ? ? ? 1 MSE I O 1 +ATOM 15916 C CB . MSE I 1 2 ? 28.442 65.581 87.460 1.00 39.11 ? ? ? ? ? ? 1 MSE I CB 1 +ATOM 15917 C CG . MSE I 1 2 ? 27.698 66.714 86.711 1.00 41.70 ? ? ? ? ? ? 1 MSE I CG 1 +ATOM 15918 SE SE . MSE I 1 2 ? 28.681 67.580 85.173 0.75 51.54 ? ? ? ? ? ? 1 MSE I SE 1 +ATOM 15919 C CE . MSE I 1 2 ? 30.453 67.462 86.025 1.00 41.07 ? ? ? ? ? ? 1 MSE I CE 1 +ATOM 15920 N N . ASN I 1 3 ? 25.908 66.357 89.721 1.00 33.64 ? ? ? ? ? ? 2 ASN I N 1 +ATOM 15921 C CA . ASN I 1 3 ? 24.467 66.532 89.908 1.00 31.02 ? ? ? ? ? ? 2 ASN I CA 1 +ATOM 15922 C C . ASN I 1 3 ? 24.034 67.971 89.721 1.00 29.79 ? ? ? ? ? ? 2 ASN I C 1 +ATOM 15923 O O . ASN I 1 3 ? 24.170 68.780 90.620 1.00 27.94 ? ? ? ? ? ? 2 ASN I O 1 +ATOM 15924 C CB . ASN I 1 3 ? 24.027 66.036 91.291 1.00 30.19 ? ? ? ? ? ? 2 ASN I CB 1 +ATOM 15925 C CG . ASN I 1 3 ? 22.530 65.841 91.372 1.00 29.70 ? ? ? ? ? ? 2 ASN I CG 1 +ATOM 15926 O OD1 . ASN I 1 3 ? 21.785 66.528 90.682 1.00 31.20 ? ? ? ? ? ? 2 ASN I OD1 1 +ATOM 15927 N ND2 . ASN I 1 3 ? 22.087 64.874 92.166 1.00 26.64 ? ? ? ? ? ? 2 ASN I ND2 1 +ATOM 15928 N N . LYS I 1 4 ? 23.502 68.283 88.548 1.00 28.70 ? ? ? ? ? ? 3 LYS I N 1 +ATOM 15929 C CA . LYS I 1 4 ? 23.138 69.639 88.200 1.00 29.92 ? ? ? ? ? ? 3 LYS I CA 1 +ATOM 15930 C C . LYS I 1 4 ? 21.873 70.090 88.931 1.00 28.62 ? ? ? ? ? ? 3 LYS I C 1 +ATOM 15931 O O . LYS I 1 4 ? 21.603 71.289 89.024 1.00 27.59 ? ? ? ? ? ? 3 LYS I O 1 +ATOM 15932 C CB . LYS I 1 4 ? 22.961 69.785 86.674 1.00 30.14 ? ? ? ? ? ? 3 LYS I CB 1 +ATOM 15933 C CG . LYS I 1 4 ? 24.277 69.748 85.862 1.00 31.56 ? ? ? ? ? ? 3 LYS I CG 1 +ATOM 15934 C CD . LYS I 1 4 ? 24.029 70.157 84.355 1.00 34.86 ? ? ? ? ? ? 3 LYS I CD 1 +ATOM 15935 C CE . LYS I 1 4 ? 25.317 70.153 83.453 1.00 37.11 ? ? ? ? ? ? 3 LYS I CE 1 +ATOM 15936 N NZ . LYS I 1 4 ? 25.109 70.817 82.088 1.00 32.75 ? ? ? ? ? ? 3 LYS I NZ 1 +ATOM 15937 N N . GLU I 1 5 ? 21.113 69.128 89.459 1.00 27.82 ? ? ? ? ? ? 4 GLU I N 1 +ATOM 15938 C CA . GLU I 1 5 ? 19.879 69.443 90.168 1.00 27.69 ? ? ? ? ? ? 4 GLU I CA 1 +ATOM 15939 C C . GLU I 1 5 ? 20.150 70.158 91.505 1.00 23.79 ? ? ? ? ? ? 4 GLU I C 1 +ATOM 15940 O O . GLU I 1 5 ? 19.416 71.078 91.868 1.00 24.78 ? ? ? ? ? ? 4 GLU I O 1 +ATOM 15941 C CB . GLU I 1 5 ? 19.054 68.171 90.377 1.00 27.94 ? ? ? ? ? ? 4 GLU I CB 1 +ATOM 15942 C CG . GLU I 1 5 ? 17.646 68.446 90.827 1.00 31.75 ? ? ? ? ? ? 4 GLU I CG 1 +ATOM 15943 C CD . GLU I 1 5 ? 16.696 67.253 90.701 1.00 33.01 ? ? ? ? ? ? 4 GLU I CD 1 +ATOM 15944 O OE1 . GLU I 1 5 ? 17.096 66.151 90.257 1.00 41.59 ? ? ? ? ? ? 4 GLU I OE1 1 +ATOM 15945 O OE2 . GLU I 1 5 ? 15.522 67.441 91.056 1.00 34.79 ? ? ? ? ? ? 4 GLU I OE2 1 +ATOM 15946 N N . VAL I 1 6 ? 21.214 69.762 92.203 1.00 21.56 ? ? ? ? ? ? 5 VAL I N 1 +ATOM 15947 C CA . VAL I 1 6 ? 21.494 70.231 93.564 1.00 20.71 ? ? ? ? ? ? 5 VAL I CA 1 +ATOM 15948 C C . VAL I 1 6 ? 22.872 70.829 93.776 1.00 20.52 ? ? ? ? ? ? 5 VAL I C 1 +ATOM 15949 O O . VAL I 1 6 ? 23.160 71.292 94.863 1.00 20.19 ? ? ? ? ? ? 5 VAL I O 1 +ATOM 15950 C CB . VAL I 1 6 ? 21.262 69.107 94.613 1.00 21.11 ? ? ? ? ? ? 5 VAL I CB 1 +ATOM 15951 C CG1 . VAL I 1 6 ? 19.836 68.510 94.454 1.00 19.65 ? ? ? ? ? ? 5 VAL I CG1 1 +ATOM 15952 C CG2 . VAL I 1 6 ? 22.344 68.038 94.540 1.00 16.27 ? ? ? ? ? ? 5 VAL I CG2 1 +ATOM 15953 N N . ASP I 1 7 ? 23.703 70.854 92.736 1.00 19.47 ? ? ? ? ? ? 6 ASP I N 1 +ATOM 15954 C CA . ASP I 1 7 ? 25.051 71.341 92.852 1.00 19.68 ? ? ? ? ? ? 6 ASP I CA 1 +ATOM 15955 C C . ASP I 1 7 ? 25.310 72.520 91.880 1.00 20.02 ? ? ? ? ? ? 6 ASP I C 1 +ATOM 15956 O O . ASP I 1 7 ? 25.693 72.310 90.721 1.00 20.31 ? ? ? ? ? ? 6 ASP I O 1 +ATOM 15957 C CB . ASP I 1 7 ? 26.082 70.191 92.661 1.00 17.32 ? ? ? ? ? ? 6 ASP I CB 1 +ATOM 15958 C CG . ASP I 1 7 ? 27.506 70.638 92.926 1.00 20.36 ? ? ? ? ? ? 6 ASP I CG 1 +ATOM 15959 O OD1 . ASP I 1 7 ? 27.684 71.764 93.383 1.00 22.76 ? ? ? ? ? ? 6 ASP I OD1 1 +ATOM 15960 O OD2 . ASP I 1 7 ? 28.466 69.894 92.669 1.00 24.65 ? ? ? ? ? ? 6 ASP I OD2 1 +ATOM 15961 N N . LEU I 1 8 ? 25.179 73.749 92.391 1.00 18.83 ? ? ? ? ? ? 7 LEU I N 1 +ATOM 15962 C CA . LEU I 1 8 ? 25.324 74.949 91.546 1.00 19.89 ? ? ? ? ? ? 7 LEU I CA 1 +ATOM 15963 C C . LEU I 1 8 ? 26.662 75.038 90.830 1.00 20.61 ? ? ? ? ? ? 7 LEU I C 1 +ATOM 15964 O O . LEU I 1 8 ? 26.746 75.635 89.756 1.00 22.13 ? ? ? ? ? ? 7 LEU I O 1 +ATOM 15965 C CB . LEU I 1 8 ? 25.100 76.273 92.319 1.00 20.09 ? ? ? ? ? ? 7 LEU I CB 1 +ATOM 15966 C CG . LEU I 1 8 ? 24.761 77.447 91.386 1.00 17.50 ? ? ? ? ? ? 7 LEU I CG 1 +ATOM 15967 C CD1 . LEU I 1 8 ? 23.330 77.340 90.973 1.00 10.16 ? ? ? ? ? ? 7 LEU I CD1 1 +ATOM 15968 C CD2 . LEU I 1 8 ? 25.098 78.807 91.993 1.00 17.97 ? ? ? ? ? ? 7 LEU I CD2 1 +ATOM 15969 N N . SER I 1 9 ? 27.697 74.470 91.429 1.00 20.83 ? ? ? ? ? ? 8 SER I N 1 +ATOM 15970 C CA . SER I 1 9 ? 29.038 74.495 90.869 1.00 21.76 ? ? ? ? ? ? 8 SER I CA 1 +ATOM 15971 C C . SER I 1 9 ? 29.122 73.853 89.466 1.00 22.74 ? ? ? ? ? ? 8 SER I C 1 +ATOM 15972 O O . SER I 1 9 ? 30.042 74.157 88.702 1.00 23.57 ? ? ? ? ? ? 8 SER I O 1 +ATOM 15973 C CB . SER I 1 9 ? 30.018 73.797 91.834 1.00 21.80 ? ? ? ? ? ? 8 SER I CB 1 +ATOM 15974 O OG . SER I 1 9 ? 30.172 74.530 93.049 1.00 22.66 ? ? ? ? ? ? 8 SER I OG 1 +ATOM 15975 N N . VAL I 1 10 ? 28.202 72.958 89.140 1.00 22.19 ? ? ? ? ? ? 9 VAL I N 1 +ATOM 15976 C CA . VAL I 1 10 ? 28.163 72.353 87.796 1.00 22.98 ? ? ? ? ? ? 9 VAL I CA 1 +ATOM 15977 C C . VAL I 1 10 ? 26.852 72.616 87.017 1.00 24.10 ? ? ? ? ? ? 9 VAL I C 1 +ATOM 15978 O O . VAL I 1 10 ? 26.736 72.218 85.858 1.00 27.37 ? ? ? ? ? ? 9 VAL I O 1 +ATOM 15979 C CB . VAL I 1 10 ? 28.421 70.826 87.847 1.00 23.26 ? ? ? ? ? ? 9 VAL I CB 1 +ATOM 15980 C CG1 . VAL I 1 10 ? 29.843 70.528 88.361 1.00 21.17 ? ? ? ? ? ? 9 VAL I CG1 1 +ATOM 15981 C CG2 . VAL I 1 10 ? 27.396 70.144 88.678 1.00 21.42 ? ? ? ? ? ? 9 VAL I CG2 1 +ATOM 15982 N N . SER I 1 11 ? 25.899 73.320 87.629 1.00 22.57 ? ? ? ? ? ? 10 SER I N 1 +ATOM 15983 C CA . SER I 1 11 ? 24.580 73.468 87.095 1.00 21.63 ? ? ? ? ? ? 10 SER I CA 1 +ATOM 15984 C C . SER I 1 11 ? 24.482 74.638 86.101 1.00 22.73 ? ? ? ? ? ? 10 SER I C 1 +ATOM 15985 O O . SER I 1 11 ? 25.375 75.467 85.997 1.00 22.44 ? ? ? ? ? ? 10 SER I O 1 +ATOM 15986 C CB . SER I 1 11 ? 23.595 73.698 88.232 1.00 21.53 ? ? ? ? ? ? 10 SER I CB 1 +ATOM 15987 O OG . SER I 1 11 ? 22.283 73.486 87.755 1.00 29.24 ? ? ? ? ? ? 10 SER I OG 1 +ATOM 15988 N N . CYS I 1 12 ? 23.361 74.680 85.387 1.00 22.79 ? ? ? ? ? ? 11 CYS I N 1 +ATOM 15989 C CA . CYS I 1 12 ? 23.024 75.743 84.454 1.00 23.32 ? ? ? ? ? ? 11 CYS I CA 1 +ATOM 15990 C C . CYS I 1 12 ? 21.551 76.087 84.591 1.00 22.97 ? ? ? ? ? ? 11 CYS I C 1 +ATOM 15991 O O . CYS I 1 12 ? 20.802 75.303 85.131 1.00 23.52 ? ? ? ? ? ? 11 CYS I O 1 +ATOM 15992 C CB . CYS I 1 12 ? 23.309 75.303 83.028 1.00 22.49 ? ? ? ? ? ? 11 CYS I CB 1 +ATOM 15993 S SG . CYS I 1 12 ? 22.497 73.783 82.636 1.00 27.05 ? ? ? ? ? ? 11 CYS I SG 1 +ATOM 15994 N N . LEU I 1 13 ? 21.154 77.256 84.088 1.00 23.09 ? ? ? ? ? ? 12 LEU I N 1 +ATOM 15995 C CA . LEU I 1 13 ? 19.786 77.766 84.286 1.00 24.05 ? ? ? ? ? ? 12 LEU I CA 1 +ATOM 15996 C C . LEU I 1 13 ? 18.709 76.838 83.745 1.00 25.41 ? ? ? ? ? ? 12 LEU I C 1 +ATOM 15997 O O . LEU I 1 13 ? 17.626 76.745 84.333 1.00 26.23 ? ? ? ? ? ? 12 LEU I O 1 +ATOM 15998 C CB . LEU I 1 13 ? 19.620 79.166 83.674 1.00 23.28 ? ? ? ? ? ? 12 LEU I CB 1 +ATOM 15999 C CG . LEU I 1 13 ? 18.236 79.797 83.822 1.00 25.09 ? ? ? ? ? ? 12 LEU I CG 1 +ATOM 16000 C CD1 . LEU I 1 13 ? 17.897 80.016 85.309 1.00 22.92 ? ? ? ? ? ? 12 LEU I CD1 1 +ATOM 16001 C CD2 . LEU I 1 13 ? 18.126 81.086 83.056 1.00 24.59 ? ? ? ? ? ? 12 LEU I CD2 1 +ATOM 16002 N N . GLY I 1 14 ? 19.008 76.160 82.644 1.00 26.07 ? ? ? ? ? ? 13 GLY I N 1 +ATOM 16003 C CA . GLY I 1 14 ? 18.072 75.244 81.995 1.00 26.67 ? ? ? ? ? ? 13 GLY I CA 1 +ATOM 16004 C C . GLY I 1 14 ? 17.658 74.084 82.866 1.00 28.27 ? ? ? ? ? ? 13 GLY I C 1 +ATOM 16005 O O . GLY I 1 14 ? 16.504 73.635 82.808 1.00 28.63 ? ? ? ? ? ? 13 GLY I O 1 +ATOM 16006 N N . LYS I 1 15 ? 18.599 73.578 83.662 1.00 28.88 ? ? ? ? ? ? 14 LYS I N 1 +ATOM 16007 C CA . LYS I 1 15 ? 18.371 72.439 84.548 1.00 30.04 ? ? ? ? ? ? 14 LYS I CA 1 +ATOM 16008 C C . LYS I 1 15 ? 17.611 72.885 85.798 1.00 30.98 ? ? ? ? ? ? 14 LYS I C 1 +ATOM 16009 O O . LYS I 1 15 ? 16.956 72.070 86.423 1.00 35.39 ? ? ? ? ? ? 14 LYS I O 1 +ATOM 16010 C CB . LYS I 1 15 ? 19.709 71.777 84.947 1.00 28.96 ? ? ? ? ? ? 14 LYS I CB 1 +ATOM 16011 N N . VAL I 1 16 ? 17.695 74.162 86.169 1.00 29.39 ? ? ? ? ? ? 15 VAL I N 1 +ATOM 16012 C CA . VAL I 1 16 ? 17.106 74.619 87.438 1.00 28.54 ? ? ? ? ? ? 15 VAL I CA 1 +ATOM 16013 C C . VAL I 1 16 ? 15.796 75.382 87.307 1.00 29.16 ? ? ? ? ? ? 15 VAL I C 1 +ATOM 16014 O O . VAL I 1 16 ? 14.979 75.345 88.207 1.00 27.36 ? ? ? ? ? ? 15 VAL I O 1 +ATOM 16015 C CB . VAL I 1 16 ? 18.099 75.484 88.293 1.00 29.30 ? ? ? ? ? ? 15 VAL I CB 1 +ATOM 16016 C CG1 . VAL I 1 16 ? 19.463 74.782 88.442 1.00 26.00 ? ? ? ? ? ? 15 VAL I CG1 1 +ATOM 16017 C CG2 . VAL I 1 16 ? 18.233 76.895 87.746 1.00 23.49 ? ? ? ? ? ? 15 VAL I CG2 1 +ATOM 16018 N N . LYS I 1 17 ? 15.587 76.068 86.196 1.00 31.06 ? ? ? ? ? ? 16 LYS I N 1 +ATOM 16019 C CA . LYS I 1 17 ? 14.575 77.142 86.170 1.00 34.85 ? ? ? ? ? ? 16 LYS I CA 1 +ATOM 16020 C C . LYS I 1 17 ? 13.133 76.691 86.396 1.00 34.97 ? ? ? ? ? ? 16 LYS I C 1 +ATOM 16021 O O . LYS I 1 17 ? 12.337 77.484 86.877 1.00 35.23 ? ? ? ? ? ? 16 LYS I O 1 +ATOM 16022 C CB . LYS I 1 17 ? 14.675 78.000 84.893 1.00 34.59 ? ? ? ? ? ? 16 LYS I CB 1 +ATOM 16023 C CG . LYS I 1 17 ? 14.380 77.266 83.596 1.00 35.91 ? ? ? ? ? ? 16 LYS I CG 1 +ATOM 16024 C CD . LYS I 1 17 ? 14.020 78.254 82.465 1.00 40.53 ? ? ? ? ? ? 16 LYS I CD 1 +ATOM 16025 C CE . LYS I 1 17 ? 13.360 77.502 81.295 1.00 51.54 ? ? ? ? ? ? 16 LYS I CE 1 +ATOM 16026 N NZ . LYS I 1 17 ? 12.522 78.380 80.435 1.00 56.49 ? ? ? ? ? ? 16 LYS I NZ 1 +ATOM 16027 N N . GLU I 1 18 ? 12.811 75.440 86.085 1.00 35.91 ? ? ? ? ? ? 17 GLU I N 1 +ATOM 16028 C CA . GLU I 1 18 ? 11.449 74.937 86.273 1.00 39.88 ? ? ? ? ? ? 17 GLU I CA 1 +ATOM 16029 C C . GLU I 1 18 ? 11.251 74.134 87.587 1.00 38.69 ? ? ? ? ? ? 17 GLU I C 1 +ATOM 16030 O O . GLU I 1 18 ? 10.146 73.639 87.846 1.00 39.48 ? ? ? ? ? ? 17 GLU I O 1 +ATOM 16031 C CB . GLU I 1 18 ? 11.014 74.094 85.045 1.00 43.08 ? ? ? ? ? ? 17 GLU I CB 1 +ATOM 16032 C CG . GLU I 1 18 ? 10.862 74.902 83.680 1.00 48.83 ? ? ? ? ? ? 17 GLU I CG 1 +ATOM 16033 C CD . GLU I 1 18 ? 9.811 76.033 83.742 1.00 57.19 ? ? ? ? ? ? 17 GLU I CD 1 +ATOM 16034 O OE1 . GLU I 1 18 ? 8.595 75.728 83.880 1.00 62.02 ? ? ? ? ? ? 17 GLU I OE1 1 +ATOM 16035 O OE2 . GLU I 1 18 ? 10.200 77.229 83.644 1.00 61.14 ? ? ? ? ? ? 17 GLU I OE2 1 +ATOM 16036 N N . LEU I 1 19 ? 12.299 74.018 88.405 1.00 35.50 ? ? ? ? ? ? 18 LEU I N 1 +ATOM 16037 C CA . LEU I 1 19 ? 12.249 73.205 89.629 1.00 33.02 ? ? ? ? ? ? 18 LEU I CA 1 +ATOM 16038 C C . LEU I 1 19 ? 12.006 74.075 90.860 1.00 31.78 ? ? ? ? ? ? 18 LEU I C 1 +ATOM 16039 O O . LEU I 1 19 ? 12.458 75.211 90.920 1.00 32.35 ? ? ? ? ? ? 18 LEU I O 1 +ATOM 16040 C CB . LEU I 1 19 ? 13.534 72.392 89.799 1.00 31.26 ? ? ? ? ? ? 18 LEU I CB 1 +ATOM 16041 C CG . LEU I 1 19 ? 13.912 71.492 88.629 1.00 30.26 ? ? ? ? ? ? 18 LEU I CG 1 +ATOM 16042 C CD1 . LEU I 1 19 ? 15.131 70.678 88.933 1.00 21.87 ? ? ? ? ? ? 18 LEU I CD1 1 +ATOM 16043 C CD2 . LEU I 1 19 ? 12.753 70.572 88.287 1.00 29.79 ? ? ? ? ? ? 18 LEU I CD2 1 +ATOM 16044 N N . LYS I 1 20 ? 11.248 73.543 91.822 1.00 30.67 ? ? ? ? ? ? 19 LYS I N 1 +ATOM 16045 C CA . LYS I 1 20 ? 11.066 74.198 93.108 1.00 29.81 ? ? ? ? ? ? 19 LYS I CA 1 +ATOM 16046 C C . LYS I 1 20 ? 12.226 73.835 94.018 1.00 26.91 ? ? ? ? ? ? 19 LYS I C 1 +ATOM 16047 O O . LYS I 1 20 ? 12.560 72.656 94.176 1.00 24.09 ? ? ? ? ? ? 19 LYS I O 1 +ATOM 16048 C CB . LYS I 1 20 ? 9.773 73.727 93.775 1.00 33.71 ? ? ? ? ? ? 19 LYS I CB 1 +ATOM 16049 C CG . LYS I 1 20 ? 9.472 74.382 95.154 1.00 39.29 ? ? ? ? ? ? 19 LYS I CG 1 +ATOM 16050 C CD . LYS I 1 20 ? 8.798 75.731 95.011 1.00 47.32 ? ? ? ? ? ? 19 LYS I CD 1 +ATOM 16051 C CE . LYS I 1 20 ? 8.469 76.363 96.363 1.00 52.81 ? ? ? ? ? ? 19 LYS I CE 1 +ATOM 16052 N NZ . LYS I 1 20 ? 7.564 77.576 96.200 1.00 53.74 ? ? ? ? ? ? 19 LYS I NZ 1 +ATOM 16053 N N . TYR I 1 21 ? 12.813 74.851 94.630 1.00 25.37 ? ? ? ? ? ? 20 TYR I N 1 +ATOM 16054 C CA . TYR I 1 21 ? 13.848 74.651 95.641 1.00 24.60 ? ? ? ? ? ? 20 TYR I CA 1 +ATOM 16055 C C . TYR I 1 21 ? 13.297 75.064 96.990 1.00 23.95 ? ? ? ? ? ? 20 TYR I C 1 +ATOM 16056 O O . TYR I 1 21 ? 12.636 76.093 97.095 1.00 25.66 ? ? ? ? ? ? 20 TYR I O 1 +ATOM 16057 C CB . TYR I 1 21 ? 15.137 75.398 95.264 1.00 24.49 ? ? ? ? ? ? 20 TYR I CB 1 +ATOM 16058 C CG . TYR I 1 21 ? 15.846 74.711 94.122 1.00 21.24 ? ? ? ? ? ? 20 TYR I CG 1 +ATOM 16059 C CD1 . TYR I 1 21 ? 15.543 75.024 92.812 1.00 20.62 ? ? ? ? ? ? 20 TYR I CD1 1 +ATOM 16060 C CD2 . TYR I 1 21 ? 16.784 73.722 94.360 1.00 20.13 ? ? ? ? ? ? 20 TYR I CD2 1 +ATOM 16061 C CE1 . TYR I 1 21 ? 16.156 74.381 91.770 1.00 22.88 ? ? ? ? ? ? 20 TYR I CE1 1 +ATOM 16062 C CE2 . TYR I 1 21 ? 17.399 73.060 93.321 1.00 16.47 ? ? ? ? ? ? 20 TYR I CE2 1 +ATOM 16063 C CZ . TYR I 1 21 ? 17.072 73.385 92.030 1.00 17.29 ? ? ? ? ? ? 20 TYR I CZ 1 +ATOM 16064 O OH . TYR I 1 21 ? 17.674 72.749 91.001 1.00 19.54 ? ? ? ? ? ? 20 TYR I OH 1 +ATOM 16065 N N . ASP I 1 22 ? 13.543 74.221 97.996 1.00 24.82 ? ? ? ? ? ? 21 ASP I N 1 +ATOM 16066 C CA . ASP I 1 22 ? 12.996 74.387 99.353 1.00 26.08 ? ? ? ? ? ? 21 ASP I CA 1 +ATOM 16067 C C . ASP I 1 22 ? 13.993 75.046 100.306 1.00 25.85 ? ? ? ? ? ? 21 ASP I C 1 +ATOM 16068 O O . ASP I 1 22 ? 13.622 75.921 101.069 1.00 27.62 ? ? ? ? ? ? 21 ASP I O 1 +ATOM 16069 C CB . ASP I 1 22 ? 12.564 73.018 99.921 1.00 27.20 ? ? ? ? ? ? 21 ASP I CB 1 +ATOM 16070 C CG . ASP I 1 22 ? 11.450 72.339 99.094 1.00 30.07 ? ? ? ? ? ? 21 ASP I CG 1 +ATOM 16071 O OD1 . ASP I 1 22 ? 10.321 72.870 99.076 1.00 35.88 ? ? ? ? ? ? 21 ASP I OD1 1 +ATOM 16072 O OD2 . ASP I 1 22 ? 11.702 71.262 98.484 1.00 33.88 ? ? ? ? ? ? 21 ASP I OD2 1 +ATOM 16073 N N . VAL I 1 23 ? 15.254 74.619 100.264 1.00 24.23 ? ? ? ? ? ? 22 VAL I N 1 +ATOM 16074 C CA . VAL I 1 23 ? 16.295 75.134 101.141 1.00 22.83 ? ? ? ? ? ? 22 VAL I CA 1 +ATOM 16075 C C . VAL I 1 23 ? 17.577 75.399 100.345 1.00 21.89 ? ? ? ? ? ? 22 VAL I C 1 +ATOM 16076 O O . VAL I 1 23 ? 17.912 74.641 99.426 1.00 20.69 ? ? ? ? ? ? 22 VAL I O 1 +ATOM 16077 C CB . VAL I 1 23 ? 16.588 74.160 102.335 1.00 22.43 ? ? ? ? ? ? 22 VAL I CB 1 +ATOM 16078 C CG1 . VAL I 1 23 ? 17.646 74.751 103.286 1.00 21.28 ? ? ? ? ? ? 22 VAL I CG1 1 +ATOM 16079 C CG2 . VAL I 1 23 ? 15.309 73.886 103.127 1.00 23.02 ? ? ? ? ? ? 22 VAL I CG2 1 +ATOM 16080 N N . ILE I 1 24 ? 18.282 76.482 100.677 1.00 19.85 ? ? ? ? ? ? 23 ILE I N 1 +ATOM 16081 C CA . ILE I 1 24 ? 19.588 76.784 100.068 1.00 18.33 ? ? ? ? ? ? 23 ILE I CA 1 +ATOM 16082 C C . ILE I 1 24 ? 20.682 76.429 101.055 1.00 18.16 ? ? ? ? ? ? 23 ILE I C 1 +ATOM 16083 O O . ILE I 1 24 ? 20.572 76.741 102.255 1.00 18.35 ? ? ? ? ? ? 23 ILE I O 1 +ATOM 16084 C CB . ILE I 1 24 ? 19.732 78.268 99.701 1.00 18.40 ? ? ? ? ? ? 23 ILE I CB 1 +ATOM 16085 C CG1 . ILE I 1 24 ? 18.490 78.766 98.959 1.00 17.87 ? ? ? ? ? ? 23 ILE I CG1 1 +ATOM 16086 C CG2 . ILE I 1 24 ? 20.977 78.507 98.827 1.00 12.72 ? ? ? ? ? ? 23 ILE I CG2 1 +ATOM 16087 C CD1 . ILE I 1 24 ? 18.225 78.022 97.668 1.00 21.59 ? ? ? ? ? ? 23 ILE I CD1 1 +ATOM 16088 N N . ILE I 1 25 ? 21.737 75.783 100.564 1.00 17.50 ? ? ? ? ? ? 24 ILE I N 1 +ATOM 16089 C CA . ILE I 1 25 ? 22.859 75.393 101.414 1.00 17.53 ? ? ? ? ? ? 24 ILE I CA 1 +ATOM 16090 C C . ILE I 1 25 ? 24.075 76.155 100.915 1.00 16.86 ? ? ? ? ? ? 24 ILE I C 1 +ATOM 16091 O O . ILE I 1 25 ? 24.456 76.039 99.751 1.00 17.06 ? ? ? ? ? ? 24 ILE I O 1 +ATOM 16092 C CB . ILE I 1 25 ? 23.153 73.859 101.424 1.00 17.30 ? ? ? ? ? ? 24 ILE I CB 1 +ATOM 16093 C CG1 . ILE I 1 25 ? 21.880 73.005 101.595 1.00 23.28 ? ? ? ? ? ? 24 ILE I CG1 1 +ATOM 16094 C CG2 . ILE I 1 25 ? 24.238 73.498 102.508 1.00 11.08 ? ? ? ? ? ? 24 ILE I CG2 1 +ATOM 16095 C CD1 . ILE I 1 25 ? 21.125 73.280 102.831 1.00 26.69 ? ? ? ? ? ? 24 ILE I CD1 1 +ATOM 16096 N N . LEU I 1 26 ? 24.666 76.954 101.790 1.00 17.07 ? ? ? ? ? ? 25 LEU I N 1 +ATOM 16097 C CA . LEU I 1 26 ? 25.854 77.743 101.465 1.00 17.24 ? ? ? ? ? ? 25 LEU I CA 1 +ATOM 16098 C C . LEU I 1 26 ? 27.087 77.098 102.148 1.00 17.72 ? ? ? ? ? ? 25 LEU I C 1 +ATOM 16099 O O . LEU I 1 26 ? 27.327 77.265 103.332 1.00 18.57 ? ? ? ? ? ? 25 LEU I O 1 +ATOM 16100 C CB . LEU I 1 26 ? 25.650 79.234 101.844 1.00 13.70 ? ? ? ? ? ? 25 LEU I CB 1 +ATOM 16101 C CG . LEU I 1 26 ? 26.872 80.173 101.616 1.00 17.64 ? ? ? ? ? ? 25 LEU I CG 1 +ATOM 16102 C CD1 . LEU I 1 26 ? 27.203 80.358 100.181 1.00 12.65 ? ? ? ? ? ? 25 LEU I CD1 1 +ATOM 16103 C CD2 . LEU I 1 26 ? 26.672 81.515 102.300 1.00 14.53 ? ? ? ? ? ? 25 LEU I CD2 1 +ATOM 16104 N N . PRO I 1 27 ? 27.873 76.335 101.394 1.00 18.70 ? ? ? ? ? ? 26 PRO I N 1 +ATOM 16105 C CA . PRO I 1 27 ? 29.101 75.889 102.028 1.00 18.21 ? ? ? ? ? ? 26 PRO I CA 1 +ATOM 16106 C C . PRO I 1 27 ? 30.065 77.080 102.232 1.00 18.44 ? ? ? ? ? ? 26 PRO I C 1 +ATOM 16107 O O . PRO I 1 27 ? 30.172 77.947 101.370 1.00 18.73 ? ? ? ? ? ? 26 PRO I O 1 +ATOM 16108 C CB . PRO I 1 27 ? 29.670 74.850 101.033 1.00 19.15 ? ? ? ? ? ? 26 PRO I CB 1 +ATOM 16109 C CG . PRO I 1 27 ? 28.663 74.625 100.017 1.00 19.22 ? ? ? ? ? ? 26 PRO I CG 1 +ATOM 16110 C CD . PRO I 1 27 ? 27.775 75.866 99.997 1.00 19.18 ? ? ? ? ? ? 26 PRO I CD 1 +ATOM 16111 N N . TRP I 1 28 ? 30.750 77.140 103.364 1.00 18.74 ? ? ? ? ? ? 27 TRP I N 1 +ATOM 16112 C CA . TRP I 1 28 ? 31.622 78.271 103.653 1.00 17.41 ? ? ? ? ? ? 27 TRP I CA 1 +ATOM 16113 C C . TRP I 1 28 ? 32.891 77.729 104.239 1.00 16.39 ? ? ? ? ? ? 27 TRP I C 1 +ATOM 16114 O O . TRP I 1 28 ? 32.884 77.124 105.305 1.00 17.18 ? ? ? ? ? ? 27 TRP I O 1 +ATOM 16115 C CB . TRP I 1 28 ? 30.962 79.259 104.631 1.00 16.79 ? ? ? ? ? ? 27 TRP I CB 1 +ATOM 16116 C CG . TRP I 1 28 ? 31.598 80.648 104.594 1.00 13.91 ? ? ? ? ? ? 27 TRP I CG 1 +ATOM 16117 C CD1 . TRP I 1 28 ? 32.933 80.938 104.644 1.00 16.62 ? ? ? ? ? ? 27 TRP I CD1 1 +ATOM 16118 C CD2 . TRP I 1 28 ? 30.923 81.909 104.445 1.00 12.46 ? ? ? ? ? ? 27 TRP I CD2 1 +ATOM 16119 N NE1 . TRP I 1 28 ? 33.128 82.288 104.567 1.00 16.16 ? ? ? ? ? ? 27 TRP I NE1 1 +ATOM 16120 C CE2 . TRP I 1 28 ? 31.910 82.910 104.447 1.00 17.53 ? ? ? ? ? ? 27 TRP I CE2 1 +ATOM 16121 C CE3 . TRP I 1 28 ? 29.569 82.292 104.348 1.00 18.42 ? ? ? ? ? ? 27 TRP I CE3 1 +ATOM 16122 C CZ2 . TRP I 1 28 ? 31.593 84.276 104.328 1.00 17.57 ? ? ? ? ? ? 27 TRP I CZ2 1 +ATOM 16123 C CZ3 . TRP I 1 28 ? 29.258 83.633 104.224 1.00 15.42 ? ? ? ? ? ? 27 TRP I CZ3 1 +ATOM 16124 C CH2 . TRP I 1 28 ? 30.268 84.608 104.222 1.00 15.66 ? ? ? ? ? ? 27 TRP I CH2 1 +ATOM 16125 N N . GLY I 1 29 ? 33.994 78.031 103.582 1.00 16.51 ? ? ? ? ? ? 28 GLY I N 1 +ATOM 16126 C CA . GLY I 1 29 ? 35.287 77.437 103.907 1.00 16.69 ? ? ? ? ? ? 28 GLY I CA 1 +ATOM 16127 C C . GLY I 1 29 ? 36.367 78.435 104.208 1.00 17.07 ? ? ? ? ? ? 28 GLY I C 1 +ATOM 16128 O O . GLY I 1 29 ? 36.180 79.373 105.010 1.00 16.92 ? ? ? ? ? ? 28 GLY I O 1 +ATOM 16129 N N . ALA I 1 30 ? 37.538 78.188 103.640 1.00 17.60 ? ? ? ? ? ? 29 ALA I N 1 +ATOM 16130 C CA . ALA I 1 30 ? 38.707 79.015 103.890 1.00 17.02 ? ? ? ? ? ? 29 ALA I CA 1 +ATOM 16131 C C . ALA I 1 30 ? 39.767 78.645 102.850 1.00 17.55 ? ? ? ? ? ? 29 ALA I C 1 +ATOM 16132 O O . ALA I 1 30 ? 39.685 77.578 102.254 1.00 17.74 ? ? ? ? ? ? 29 ALA I O 1 +ATOM 16133 C CB . ALA I 1 30 ? 39.211 78.784 105.298 1.00 15.77 ? ? ? ? ? ? 29 ALA I CB 1 +ATOM 16134 N N . THR I 1 31 ? 40.738 79.539 102.642 1.00 18.50 ? ? ? ? ? ? 30 THR I N 1 +ATOM 16135 C CA . THR I 1 31 ? 41.951 79.272 101.841 1.00 18.64 ? ? ? ? ? ? 30 THR I CA 1 +ATOM 16136 C C . THR I 1 31 ? 43.112 79.224 102.823 1.00 19.87 ? ? ? ? ? ? 30 THR I C 1 +ATOM 16137 O O . THR I 1 31 ? 43.564 80.249 103.308 1.00 19.08 ? ? ? ? ? ? 30 THR I O 1 +ATOM 16138 C CB . THR I 1 31 ? 42.182 80.378 100.797 1.00 19.84 ? ? ? ? ? ? 30 THR I CB 1 +ATOM 16139 O OG1 . THR I 1 31 ? 41.037 80.449 99.977 1.00 18.34 ? ? ? ? ? ? 30 THR I OG1 1 +ATOM 16140 C CG2 . THR I 1 31 ? 43.428 80.124 99.915 1.00 14.25 ? ? ? ? ? ? 30 THR I CG2 1 +ATOM 16141 N N . GLU I 1 32 ? 43.519 78.012 103.181 1.00 20.57 ? ? ? ? ? ? 31 GLU I N 1 +ATOM 16142 C CA . GLU I 1 32 ? 44.258 77.784 104.414 1.00 20.76 ? ? ? ? ? ? 31 GLU I CA 1 +ATOM 16143 C C . GLU I 1 32 ? 45.127 76.544 104.261 1.00 21.09 ? ? ? ? ? ? 31 GLU I C 1 +ATOM 16144 O O . GLU I 1 32 ? 44.625 75.489 103.917 1.00 20.85 ? ? ? ? ? ? 31 GLU I O 1 +ATOM 16145 C CB . GLU I 1 32 ? 43.279 77.571 105.585 1.00 21.49 ? ? ? ? ? ? 31 GLU I CB 1 +ATOM 16146 C CG . GLU I 1 32 ? 43.923 77.369 106.966 1.00 20.93 ? ? ? ? ? ? 31 GLU I CG 1 +ATOM 16147 C CD . GLU I 1 32 ? 42.935 77.048 108.064 1.00 24.59 ? ? ? ? ? ? 31 GLU I CD 1 +ATOM 16148 O OE1 . GLU I 1 32 ? 41.927 76.328 107.808 1.00 22.92 ? ? ? ? ? ? 31 GLU I OE1 1 +ATOM 16149 O OE2 . GLU I 1 32 ? 43.193 77.495 109.201 1.00 24.51 ? ? ? ? ? ? 31 GLU I OE2 1 +ATOM 16150 N N . PRO I 1 33 ? 46.438 76.675 104.531 1.00 22.45 ? ? ? ? ? ? 32 PRO I N 1 +ATOM 16151 C CA . PRO I 1 33 ? 47.306 75.506 104.598 1.00 22.14 ? ? ? ? ? ? 32 PRO I CA 1 +ATOM 16152 C C . PRO I 1 33 ? 46.802 74.446 105.586 1.00 21.40 ? ? ? ? ? ? 32 PRO I C 1 +ATOM 16153 O O . PRO I 1 33 ? 46.431 74.786 106.705 1.00 20.28 ? ? ? ? ? ? 32 PRO I O 1 +ATOM 16154 C CB . PRO I 1 33 ? 48.634 76.087 105.075 1.00 20.86 ? ? ? ? ? ? 32 PRO I CB 1 +ATOM 16155 C CG . PRO I 1 33 ? 48.602 77.505 104.725 1.00 23.62 ? ? ? ? ? ? 32 PRO I CG 1 +ATOM 16156 C CD . PRO I 1 33 ? 47.180 77.938 104.697 1.00 22.19 ? ? ? ? ? ? 32 PRO I CD 1 +ATOM 16157 N N . HIS I 1 34 ? 46.775 73.181 105.158 1.00 20.33 ? ? ? ? ? ? 33 HIS I N 1 +ATOM 16158 C CA . HIS I 1 34 ? 46.328 72.065 106.014 1.00 19.66 ? ? ? ? ? ? 33 HIS I CA 1 +ATOM 16159 C C . HIS I 1 34 ? 47.416 71.001 106.199 1.00 20.44 ? ? ? ? ? ? 33 HIS I C 1 +ATOM 16160 O O . HIS I 1 34 ? 47.403 69.986 105.503 1.00 17.98 ? ? ? ? ? ? 33 HIS I O 1 +ATOM 16161 C CB . HIS I 1 34 ? 45.104 71.406 105.409 1.00 17.77 ? ? ? ? ? ? 33 HIS I CB 1 +ATOM 16162 C CG . HIS I 1 34 ? 43.817 72.074 105.755 1.00 17.46 ? ? ? ? ? ? 33 HIS I CG 1 +ATOM 16163 N ND1 . HIS I 1 34 ? 43.466 73.318 105.279 1.00 16.40 ? ? ? ? ? ? 33 HIS I ND1 1 +ATOM 16164 C CD2 . HIS I 1 34 ? 42.780 71.646 106.509 1.00 18.91 ? ? ? ? ? ? 33 HIS I CD2 1 +ATOM 16165 C CE1 . HIS I 1 34 ? 42.271 73.629 105.738 1.00 23.50 ? ? ? ? ? ? 33 HIS I CE1 1 +ATOM 16166 N NE2 . HIS I 1 34 ? 41.838 72.636 106.498 1.00 15.73 ? ? ? ? ? ? 33 HIS I NE2 1 +ATOM 16167 N N . ASN I 1 35 ? 48.351 71.233 107.133 1.00 20.93 ? ? ? ? ? ? 34 ASN I N 1 +ATOM 16168 C CA . ASN I 1 35 ? 49.555 70.393 107.252 1.00 22.21 ? ? ? ? ? ? 34 ASN I CA 1 +ATOM 16169 C C . ASN I 1 35 ? 50.242 70.478 105.883 1.00 23.69 ? ? ? ? ? ? 34 ASN I C 1 +ATOM 16170 O O . ASN I 1 35 ? 49.982 71.428 105.130 1.00 24.40 ? ? ? ? ? ? 34 ASN I O 1 +ATOM 16171 C CB . ASN I 1 35 ? 49.182 68.954 107.691 1.00 20.63 ? ? ? ? ? ? 34 ASN I CB 1 +ATOM 16172 C CG . ASN I 1 35 ? 50.369 68.135 108.281 1.00 21.84 ? ? ? ? ? ? 34 ASN I CG 1 +ATOM 16173 O OD1 . ASN I 1 35 ? 51.435 68.001 107.674 1.00 17.38 ? ? ? ? ? ? 34 ASN I OD1 1 +ATOM 16174 N ND2 . ASN I 1 35 ? 50.127 67.514 109.425 1.00 19.11 ? ? ? ? ? ? 34 ASN I ND2 1 +ATOM 16175 N N . LEU I 1 36 ? 51.121 69.531 105.554 1.00 23.99 ? ? ? ? ? ? 35 LEU I N 1 +ATOM 16176 C CA . LEU I 1 36 ? 51.848 69.552 104.285 1.00 23.08 ? ? ? ? ? ? 35 LEU I CA 1 +ATOM 16177 C C . LEU I 1 36 ? 51.061 68.869 103.187 1.00 22.04 ? ? ? ? ? ? 35 LEU I C 1 +ATOM 16178 O O . LEU I 1 36 ? 51.349 69.081 102.031 1.00 24.17 ? ? ? ? ? ? 35 LEU I O 1 +ATOM 16179 C CB . LEU I 1 36 ? 53.232 68.866 104.418 1.00 21.99 ? ? ? ? ? ? 35 LEU I CB 1 +ATOM 16180 C CG . LEU I 1 36 ? 54.254 69.533 105.349 1.00 25.41 ? ? ? ? ? ? 35 LEU I CG 1 +ATOM 16181 C CD1 . LEU I 1 36 ? 55.608 68.747 105.555 1.00 22.12 ? ? ? ? ? ? 35 LEU I CD1 1 +ATOM 16182 C CD2 . LEU I 1 36 ? 54.511 70.950 104.827 1.00 22.25 ? ? ? ? ? ? 35 LEU I CD2 1 +ATOM 16183 N N . HIS I 1 37 ? 50.038 68.097 103.550 1.00 22.28 ? ? ? ? ? ? 36 HIS I N 1 +ATOM 16184 C CA . HIS I 1 37 ? 49.468 67.091 102.666 1.00 22.12 ? ? ? ? ? ? 36 HIS I CA 1 +ATOM 16185 C C . HIS I 1 37 ? 48.037 67.378 102.143 1.00 22.35 ? ? ? ? ? ? 36 HIS I C 1 +ATOM 16186 O O . HIS I 1 37 ? 47.606 66.816 101.147 1.00 22.77 ? ? ? ? ? ? 36 HIS I O 1 +ATOM 16187 C CB . HIS I 1 37 ? 49.513 65.732 103.373 1.00 20.39 ? ? ? ? ? ? 36 HIS I CB 1 +ATOM 16188 C CG . HIS I 1 37 ? 48.532 65.587 104.493 1.00 19.60 ? ? ? ? ? ? 36 HIS I CG 1 +ATOM 16189 N ND1 . HIS I 1 37 ? 48.480 66.465 105.556 1.00 21.79 ? ? ? ? ? ? 36 HIS I ND1 1 +ATOM 16190 C CD2 . HIS I 1 37 ? 47.593 64.640 104.737 1.00 16.42 ? ? ? ? ? ? 36 HIS I CD2 1 +ATOM 16191 C CE1 . HIS I 1 37 ? 47.509 66.098 106.375 1.00 22.95 ? ? ? ? ? ? 36 HIS I CE1 1 +ATOM 16192 N NE2 . HIS I 1 37 ? 46.977 64.975 105.915 1.00 20.90 ? ? ? ? ? ? 36 HIS I NE2 1 +ATOM 16193 N N . LEU I 1 38 ? 47.282 68.214 102.829 1.00 21.33 ? ? ? ? ? ? 37 LEU I N 1 +ATOM 16194 C CA . LEU I 1 38 ? 45.891 68.388 102.466 1.00 20.28 ? ? ? ? ? ? 37 LEU I CA 1 +ATOM 16195 C C . LEU I 1 38 ? 45.755 69.685 101.664 1.00 19.94 ? ? ? ? ? ? 37 LEU I C 1 +ATOM 16196 O O . LEU I 1 38 ? 46.566 70.599 101.827 1.00 20.03 ? ? ? ? ? ? 37 LEU I O 1 +ATOM 16197 C CB . LEU I 1 38 ? 45.012 68.385 103.699 1.00 19.29 ? ? ? ? ? ? 37 LEU I CB 1 +ATOM 16198 C CG . LEU I 1 38 ? 44.546 67.043 104.270 1.00 20.68 ? ? ? ? ? ? 37 LEU I CG 1 +ATOM 16199 C CD1 . LEU I 1 38 ? 43.925 67.328 105.614 1.00 18.01 ? ? ? ? ? ? 37 LEU I CD1 1 +ATOM 16200 C CD2 . LEU I 1 38 ? 43.555 66.247 103.375 1.00 21.53 ? ? ? ? ? ? 37 LEU I CD2 1 +ATOM 16201 N N . PRO I 1 39 ? 44.753 69.755 100.771 1.00 20.86 ? ? ? ? ? ? 38 PRO I N 1 +ATOM 16202 C CA . PRO I 1 39 ? 44.550 70.915 99.901 1.00 20.68 ? ? ? ? ? ? 38 PRO I CA 1 +ATOM 16203 C C . PRO I 1 39 ? 44.248 72.220 100.652 1.00 19.77 ? ? ? ? ? ? 38 PRO I C 1 +ATOM 16204 O O . PRO I 1 39 ? 43.618 72.200 101.710 1.00 18.67 ? ? ? ? ? ? 38 PRO I O 1 +ATOM 16205 C CB . PRO I 1 39 ? 43.344 70.518 99.069 1.00 20.99 ? ? ? ? ? ? 38 PRO I CB 1 +ATOM 16206 C CG . PRO I 1 39 ? 43.234 69.074 99.202 1.00 23.65 ? ? ? ? ? ? 38 PRO I CG 1 +ATOM 16207 C CD . PRO I 1 39 ? 43.782 68.695 100.497 1.00 17.47 ? ? ? ? ? ? 38 PRO I CD 1 +ATOM 16208 N N . TYR I 1 40 ? 44.721 73.331 100.096 1.00 19.26 ? ? ? ? ? ? 39 TYR I N 1 +ATOM 16209 C CA . TYR I 1 40 ? 44.404 74.659 100.577 1.00 18.66 ? ? ? ? ? ? 39 TYR I CA 1 +ATOM 16210 C C . TYR I 1 40 ? 42.904 74.896 100.705 1.00 18.40 ? ? ? ? ? ? 39 TYR I C 1 +ATOM 16211 O O . TYR I 1 40 ? 42.488 75.624 101.612 1.00 18.44 ? ? ? ? ? ? 39 TYR I O 1 +ATOM 16212 C CB . TYR I 1 40 ? 44.981 75.697 99.642 1.00 17.89 ? ? ? ? ? ? 39 TYR I CB 1 +ATOM 16213 C CG . TYR I 1 40 ? 46.401 76.095 99.967 1.00 19.47 ? ? ? ? ? ? 39 TYR I CG 1 +ATOM 16214 C CD1 . TYR I 1 40 ? 47.478 75.331 99.527 1.00 19.62 ? ? ? ? ? ? 39 TYR I CD1 1 +ATOM 16215 C CD2 . TYR I 1 40 ? 46.668 77.238 100.708 1.00 16.74 ? ? ? ? ? ? 39 TYR I CD2 1 +ATOM 16216 C CE1 . TYR I 1 40 ? 48.817 75.725 99.797 1.00 21.89 ? ? ? ? ? ? 39 TYR I CE1 1 +ATOM 16217 C CE2 . TYR I 1 40 ? 47.977 77.627 100.994 1.00 22.51 ? ? ? ? ? ? 39 TYR I CE2 1 +ATOM 16218 C CZ . TYR I 1 40 ? 49.055 76.876 100.525 1.00 20.88 ? ? ? ? ? ? 39 TYR I CZ 1 +ATOM 16219 O OH . TYR I 1 40 ? 50.356 77.278 100.827 1.00 21.93 ? ? ? ? ? ? 39 TYR I OH 1 +ATOM 16220 N N . LEU I 1 41 ? 42.114 74.263 99.825 1.00 18.09 ? ? ? ? ? ? 40 LEU I N 1 +ATOM 16221 C CA . LEU I 1 41 ? 40.651 74.402 99.835 1.00 17.40 ? ? ? ? ? ? 40 LEU I CA 1 +ATOM 16222 C C . LEU I 1 41 ? 39.881 73.291 100.576 1.00 17.93 ? ? ? ? ? ? 40 LEU I C 1 +ATOM 16223 O O . LEU I 1 41 ? 38.670 73.154 100.407 1.00 17.91 ? ? ? ? ? ? 40 LEU I O 1 +ATOM 16224 C CB . LEU I 1 41 ? 40.135 74.580 98.405 1.00 15.37 ? ? ? ? ? ? 40 LEU I CB 1 +ATOM 16225 C CG . LEU I 1 41 ? 40.422 75.898 97.659 1.00 18.76 ? ? ? ? ? ? 40 LEU I CG 1 +ATOM 16226 C CD1 . LEU I 1 41 ? 39.874 75.833 96.208 1.00 19.03 ? ? ? ? ? ? 40 LEU I CD1 1 +ATOM 16227 C CD2 . LEU I 1 41 ? 39.828 77.129 98.390 1.00 15.90 ? ? ? ? ? ? 40 LEU I CD2 1 +ATOM 16228 N N . THR I 1 42 ? 40.551 72.560 101.462 1.00 18.49 ? ? ? ? ? ? 41 THR I N 1 +ATOM 16229 C CA . THR I 1 42 ? 39.875 71.499 102.264 1.00 18.45 ? ? ? ? ? ? 41 THR I CA 1 +ATOM 16230 C C . THR I 1 42 ? 38.537 71.967 102.877 1.00 18.73 ? ? ? ? ? ? 41 THR I C 1 +ATOM 16231 O O . THR I 1 42 ? 37.546 71.252 102.803 1.00 18.16 ? ? ? ? ? ? 41 THR I O 1 +ATOM 16232 C CB . THR I 1 42 ? 40.814 70.890 103.360 1.00 18.46 ? ? ? ? ? ? 41 THR I CB 1 +ATOM 16233 O OG1 . THR I 1 42 ? 41.916 70.227 102.740 1.00 18.31 ? ? ? ? ? ? 41 THR I OG1 1 +ATOM 16234 C CG2 . THR I 1 42 ? 40.102 69.873 104.226 1.00 15.35 ? ? ? ? ? ? 41 THR I CG2 1 +ATOM 16235 N N . ASP I 1 43 ? 38.514 73.188 103.416 1.00 19.15 ? ? ? ? ? ? 42 ASP I N 1 +ATOM 16236 C CA . ASP I 1 43 ? 37.373 73.679 104.173 1.00 17.84 ? ? ? ? ? ? 42 ASP I CA 1 +ATOM 16237 C C . ASP I 1 43 ? 36.202 74.074 103.324 1.00 18.27 ? ? ? ? ? ? 42 ASP I C 1 +ATOM 16238 O O . ASP I 1 43 ? 35.097 74.203 103.840 1.00 18.41 ? ? ? ? ? ? 42 ASP I O 1 +ATOM 16239 C CB . ASP I 1 43 ? 37.788 74.842 105.040 1.00 19.65 ? ? ? ? ? ? 42 ASP I CB 1 +ATOM 16240 C CG . ASP I 1 43 ? 38.719 74.419 106.154 1.00 18.54 ? ? ? ? ? ? 42 ASP I CG 1 +ATOM 16241 O OD1 . ASP I 1 43 ? 38.964 73.181 106.300 1.00 20.46 ? ? ? ? ? ? 42 ASP I OD1 1 +ATOM 16242 O OD2 . ASP I 1 43 ? 39.179 75.309 106.892 1.00 19.70 ? ? ? ? ? ? 42 ASP I OD2 1 +ATOM 16243 N N . CYS I 1 44 ? 36.451 74.230 102.029 1.00 18.09 ? ? ? ? ? ? 43 CYS I N 1 +ATOM 16244 C CA . CYS I 1 44 ? 35.434 74.433 101.038 1.00 19.86 ? ? ? ? ? ? 43 CYS I CA 1 +ATOM 16245 C C . CYS I 1 44 ? 34.954 73.128 100.458 1.00 19.05 ? ? ? ? ? ? 43 CYS I C 1 +ATOM 16246 O O . CYS I 1 44 ? 33.786 72.981 100.246 1.00 19.14 ? ? ? ? ? ? 43 CYS I O 1 +ATOM 16247 C CB . CYS I 1 44 ? 35.965 75.289 99.871 1.00 21.42 ? ? ? ? ? ? 43 CYS I CB 1 +ATOM 16248 S SG . CYS I 1 44 ? 36.395 76.956 100.305 1.00 23.15 ? ? ? ? ? ? 43 CYS I SG 1 +ATOM 16249 N N . ILE I 1 45 ? 35.868 72.241 100.114 1.00 18.39 ? ? ? ? ? ? 44 ILE I N 1 +ATOM 16250 C CA . ILE I 1 45 ? 35.551 70.983 99.450 1.00 18.65 ? ? ? ? ? ? 44 ILE I CA 1 +ATOM 16251 C C . ILE I 1 45 ? 34.724 70.073 100.349 1.00 19.60 ? ? ? ? ? ? 44 ILE I C 1 +ATOM 16252 O O . ILE I 1 45 ? 33.714 69.540 99.924 1.00 20.33 ? ? ? ? ? ? 44 ILE I O 1 +ATOM 16253 C CB . ILE I 1 45 ? 36.847 70.236 98.997 1.00 19.48 ? ? ? ? ? ? 44 ILE I CB 1 +ATOM 16254 C CG1 . ILE I 1 45 ? 37.638 71.080 97.971 1.00 17.55 ? ? ? ? ? ? 44 ILE I CG1 1 +ATOM 16255 C CG2 . ILE I 1 45 ? 36.507 68.811 98.468 1.00 17.16 ? ? ? ? ? ? 44 ILE I CG2 1 +ATOM 16256 C CD1 . ILE I 1 45 ? 39.104 70.642 97.741 1.00 16.47 ? ? ? ? ? ? 44 ILE I CD1 1 +ATOM 16257 N N . LEU I 1 46 ? 35.116 69.900 101.610 1.00 19.07 ? ? ? ? ? ? 45 LEU I N 1 +ATOM 16258 C CA . LEU I 1 46 ? 34.408 68.912 102.422 1.00 19.05 ? ? ? ? ? ? 45 LEU I CA 1 +ATOM 16259 C C . LEU I 1 46 ? 32.963 69.292 102.692 1.00 18.17 ? ? ? ? ? ? 45 LEU I C 1 +ATOM 16260 O O . LEU I 1 46 ? 32.097 68.474 102.470 1.00 18.53 ? ? ? ? ? ? 45 LEU I O 1 +ATOM 16261 C CB . LEU I 1 46 ? 35.151 68.551 103.707 1.00 18.29 ? ? ? ? ? ? 45 LEU I CB 1 +ATOM 16262 C CG . LEU I 1 46 ? 36.538 67.935 103.477 1.00 20.86 ? ? ? ? ? ? 45 LEU I CG 1 +ATOM 16263 C CD1 . LEU I 1 46 ? 37.143 67.663 104.798 1.00 15.87 ? ? ? ? ? ? 45 LEU I CD1 1 +ATOM 16264 C CD2 . LEU I 1 46 ? 36.489 66.684 102.627 1.00 15.65 ? ? ? ? ? ? 45 LEU I CD2 1 +ATOM 16265 N N . PRO I 1 47 ? 32.688 70.515 103.170 1.00 18.37 ? ? ? ? ? ? 46 PRO I N 1 +ATOM 16266 C CA . PRO I 1 47 ? 31.277 70.799 103.366 1.00 18.55 ? ? ? ? ? ? 46 PRO I CA 1 +ATOM 16267 C C . PRO I 1 47 ? 30.485 70.829 102.056 1.00 18.26 ? ? ? ? ? ? 46 PRO I C 1 +ATOM 16268 O O . PRO I 1 47 ? 29.297 70.566 102.060 1.00 20.48 ? ? ? ? ? ? 46 PRO I O 1 +ATOM 16269 C CB . PRO I 1 47 ? 31.301 72.180 104.069 1.00 17.93 ? ? ? ? ? ? 46 PRO I CB 1 +ATOM 16270 C CG . PRO I 1 47 ? 32.535 72.804 103.593 1.00 17.39 ? ? ? ? ? ? 46 PRO I CG 1 +ATOM 16271 C CD . PRO I 1 47 ? 33.514 71.660 103.585 1.00 18.49 ? ? ? ? ? ? 46 PRO I CD 1 +ATOM 16272 N N . HIS I 1 48 ? 31.129 71.172 100.943 1.00 19.74 ? ? ? ? ? ? 47 HIS I N 1 +ATOM 16273 C CA . HIS I 1 48 ? 30.456 71.076 99.631 1.00 21.01 ? ? ? ? ? ? 47 HIS I CA 1 +ATOM 16274 C C . HIS I 1 48 ? 29.980 69.655 99.312 1.00 19.59 ? ? ? ? ? ? 47 HIS I C 1 +ATOM 16275 O O . HIS I 1 48 ? 28.807 69.420 98.966 1.00 19.16 ? ? ? ? ? ? 47 HIS I O 1 +ATOM 16276 C CB . HIS I 1 48 ? 31.375 71.533 98.507 1.00 20.10 ? ? ? ? ? ? 47 HIS I CB 1 +ATOM 16277 C CG . HIS I 1 48 ? 30.781 71.339 97.143 1.00 22.81 ? ? ? ? ? ? 47 HIS I CG 1 +ATOM 16278 N ND1 . HIS I 1 48 ? 30.935 70.173 96.422 1.00 23.40 ? ? ? ? ? ? 47 HIS I ND1 1 +ATOM 16279 C CD2 . HIS I 1 48 ? 30.009 72.152 96.383 1.00 23.17 ? ? ? ? ? ? 47 HIS I CD2 1 +ATOM 16280 C CE1 . HIS I 1 48 ? 30.302 70.287 95.267 1.00 23.69 ? ? ? ? ? ? 47 HIS I CE1 1 +ATOM 16281 N NE2 . HIS I 1 48 ? 29.739 71.479 95.217 1.00 24.86 ? ? ? ? ? ? 47 HIS I NE2 1 +ATOM 16282 N N . ASP I 1 49 ? 30.891 68.709 99.441 1.00 20.71 ? ? ? ? ? ? 48 ASP I N 1 +ATOM 16283 C CA . ASP I 1 49 ? 30.590 67.310 99.091 1.00 21.22 ? ? ? ? ? ? 48 ASP I CA 1 +ATOM 16284 C C . ASP I 1 49 ? 29.568 66.673 100.026 1.00 20.60 ? ? ? ? ? ? 48 ASP I C 1 +ATOM 16285 O O . ASP I 1 49 ? 28.649 65.970 99.590 1.00 21.53 ? ? ? ? ? ? 48 ASP I O 1 +ATOM 16286 C CB . ASP I 1 49 ? 31.873 66.512 99.074 1.00 23.49 ? ? ? ? ? ? 48 ASP I CB 1 +ATOM 16287 C CG . ASP I 1 49 ? 32.797 66.927 97.916 1.00 27.82 ? ? ? ? ? ? 48 ASP I CG 1 +ATOM 16288 O OD1 . ASP I 1 49 ? 32.409 67.767 97.046 1.00 30.96 ? ? ? ? ? ? 48 ASP I OD1 1 +ATOM 16289 O OD2 . ASP I 1 49 ? 33.914 66.415 97.904 1.00 28.01 ? ? ? ? ? ? 48 ASP I OD2 1 +ATOM 16290 N N . ILE I 1 50 ? 29.689 66.966 101.309 1.00 20.01 ? ? ? ? ? ? 49 ILE I N 1 +ATOM 16291 C CA . ILE I 1 50 ? 28.714 66.490 102.292 1.00 18.68 ? ? ? ? ? ? 49 ILE I CA 1 +ATOM 16292 C C . ILE I 1 50 ? 27.328 67.104 102.027 1.00 19.73 ? ? ? ? ? ? 49 ILE I C 1 +ATOM 16293 O O . ILE I 1 50 ? 26.312 66.431 102.166 1.00 19.79 ? ? ? ? ? ? 49 ILE I O 1 +ATOM 16294 C CB . ILE I 1 50 ? 29.197 66.820 103.734 1.00 19.06 ? ? ? ? ? ? 49 ILE I CB 1 +ATOM 16295 C CG1 . ILE I 1 50 ? 30.467 66.018 104.069 1.00 19.49 ? ? ? ? ? ? 49 ILE I CG1 1 +ATOM 16296 C CG2 . ILE I 1 50 ? 28.133 66.527 104.773 1.00 20.01 ? ? ? ? ? ? 49 ILE I CG2 1 +ATOM 16297 C CD1 . ILE I 1 50 ? 31.216 66.499 105.275 1.00 16.21 ? ? ? ? ? ? 49 ILE I CD1 1 +ATOM 16298 N N . ALA I 1 51 ? 27.289 68.400 101.705 1.00 19.66 ? ? ? ? ? ? 50 ALA I N 1 +ATOM 16299 C CA . ALA I 1 51 ? 26.020 69.074 101.469 1.00 19.17 ? ? ? ? ? ? 50 ALA I CA 1 +ATOM 16300 C C . ALA I 1 51 ? 25.313 68.455 100.264 1.00 19.31 ? ? ? ? ? ? 50 ALA I C 1 +ATOM 16301 O O . ALA I 1 51 ? 24.092 68.281 100.286 1.00 19.55 ? ? ? ? ? ? 50 ALA I O 1 +ATOM 16302 C CB . ALA I 1 51 ? 26.206 70.597 101.253 1.00 14.99 ? ? ? ? ? ? 50 ALA I CB 1 +ATOM 16303 N N . VAL I 1 52 ? 26.087 68.133 99.221 1.00 19.47 ? ? ? ? ? ? 51 VAL I N 1 +ATOM 16304 C CA . VAL I 1 52 ? 25.550 67.540 97.985 1.00 20.53 ? ? ? ? ? ? 51 VAL I CA 1 +ATOM 16305 C C . VAL I 1 52 ? 24.986 66.166 98.272 1.00 20.76 ? ? ? ? ? ? 51 VAL I C 1 +ATOM 16306 O O . VAL I 1 52 ? 23.863 65.876 97.861 1.00 20.78 ? ? ? ? ? ? 51 VAL I O 1 +ATOM 16307 C CB . VAL I 1 52 ? 26.625 67.521 96.837 1.00 19.13 ? ? ? ? ? ? 51 VAL I CB 1 +ATOM 16308 C CG1 . VAL I 1 52 ? 26.281 66.539 95.734 1.00 19.71 ? ? ? ? ? ? 51 VAL I CG1 1 +ATOM 16309 C CG2 . VAL I 1 52 ? 26.771 68.890 96.279 1.00 15.84 ? ? ? ? ? ? 51 VAL I CG2 1 +ATOM 16310 N N . GLU I 1 53 ? 25.725 65.340 99.021 1.00 21.32 ? ? ? ? ? ? 52 GLU I N 1 +ATOM 16311 C CA . GLU I 1 53 ? 25.208 64.016 99.417 1.00 22.05 ? ? ? ? ? ? 52 GLU I CA 1 +ATOM 16312 C C . GLU I 1 53 ? 23.917 64.158 100.215 1.00 21.50 ? ? ? ? ? ? 52 GLU I C 1 +ATOM 16313 O O . GLU I 1 53 ? 22.957 63.462 99.936 1.00 22.43 ? ? ? ? ? ? 52 GLU I O 1 +ATOM 16314 C CB . GLU I 1 53 ? 26.210 63.207 100.234 1.00 22.32 ? ? ? ? ? ? 52 GLU I CB 1 +ATOM 16315 C CG . GLU I 1 53 ? 27.353 62.616 99.470 1.00 26.83 ? ? ? ? ? ? 52 GLU I CG 1 +ATOM 16316 C CD . GLU I 1 53 ? 28.012 61.406 100.193 1.00 29.44 ? ? ? ? ? ? 52 GLU I CD 1 +ATOM 16317 O OE1 . GLU I 1 53 ? 28.482 61.536 101.341 1.00 35.40 ? ? ? ? ? ? 52 GLU I OE1 1 +ATOM 16318 O OE2 . GLU I 1 53 ? 28.091 60.317 99.582 1.00 52.68 ? ? ? ? ? ? 52 GLU I OE2 1 +ATOM 16319 N N . ALA I 1 54 ? 23.896 65.091 101.169 1.00 20.49 ? ? ? ? ? ? 53 ALA I N 1 +ATOM 16320 C CA . ALA I 1 54 ? 22.746 65.291 102.050 1.00 19.11 ? ? ? ? ? ? 53 ALA I CA 1 +ATOM 16321 C C . ALA I 1 54 ? 21.549 65.753 101.245 1.00 20.02 ? ? ? ? ? ? 53 ALA I C 1 +ATOM 16322 O O . ALA I 1 54 ? 20.447 65.279 101.447 1.00 20.06 ? ? ? ? ? ? 53 ALA I O 1 +ATOM 16323 C CB . ALA I 1 54 ? 23.077 66.305 103.150 1.00 17.08 ? ? ? ? ? ? 53 ALA I CB 1 +ATOM 16324 N N . ALA I 1 55 ? 21.789 66.681 100.324 1.00 20.22 ? ? ? ? ? ? 54 ALA I N 1 +ATOM 16325 C CA . ALA I 1 55 ? 20.760 67.181 99.417 1.00 21.11 ? ? ? ? ? ? 54 ALA I CA 1 +ATOM 16326 C C . ALA I 1 55 ? 20.215 66.035 98.538 1.00 20.82 ? ? ? ? ? ? 54 ALA I C 1 +ATOM 16327 O O . ALA I 1 55 ? 19.000 65.941 98.317 1.00 21.30 ? ? ? ? ? ? 54 ALA I O 1 +ATOM 16328 C CB . ALA I 1 55 ? 21.328 68.312 98.567 1.00 17.15 ? ? ? ? ? ? 54 ALA I CB 1 +ATOM 16329 N N . GLU I 1 56 ? 21.114 65.169 98.061 1.00 22.25 ? ? ? ? ? ? 55 GLU I N 1 +ATOM 16330 C CA . GLU I 1 56 ? 20.716 63.996 97.251 1.00 24.44 ? ? ? ? ? ? 55 GLU I CA 1 +ATOM 16331 C C . GLU I 1 56 ? 19.825 63.026 98.031 1.00 23.63 ? ? ? ? ? ? 55 GLU I C 1 +ATOM 16332 O O . GLU I 1 56 ? 18.818 62.575 97.517 1.00 23.51 ? ? ? ? ? ? 55 GLU I O 1 +ATOM 16333 C CB . GLU I 1 56 ? 21.953 63.260 96.669 1.00 24.17 ? ? ? ? ? ? 55 GLU I CB 1 +ATOM 16334 C CG . GLU I 1 56 ? 22.547 63.974 95.459 1.00 27.84 ? ? ? ? ? ? 55 GLU I CG 1 +ATOM 16335 C CD . GLU I 1 56 ? 23.929 63.450 94.989 1.00 28.98 ? ? ? ? ? ? 55 GLU I CD 1 +ATOM 16336 O OE1 . GLU I 1 56 ? 24.663 62.803 95.774 1.00 34.24 ? ? ? ? ? ? 55 GLU I OE1 1 +ATOM 16337 O OE2 . GLU I 1 56 ? 24.273 63.728 93.809 1.00 33.25 ? ? ? ? ? ? 55 GLU I OE2 1 +ATOM 16338 N N . LEU I 1 57 ? 20.191 62.765 99.281 1.00 23.60 ? ? ? ? ? ? 56 LEU I N 1 +ATOM 16339 C CA . LEU I 1 57 ? 19.419 61.911 100.179 1.00 22.98 ? ? ? ? ? ? 56 LEU I CA 1 +ATOM 16340 C C . LEU I 1 57 ? 18.072 62.567 100.544 1.00 24.70 ? ? ? ? ? ? 56 LEU I C 1 +ATOM 16341 O O . LEU I 1 57 ? 17.034 61.892 100.482 1.00 25.22 ? ? ? ? ? ? 56 LEU I O 1 +ATOM 16342 C CB . LEU I 1 57 ? 20.254 61.556 101.423 1.00 24.28 ? ? ? ? ? ? 56 LEU I CB 1 +ATOM 16343 C CG . LEU I 1 57 ? 19.573 60.719 102.517 1.00 26.08 ? ? ? ? ? ? 56 LEU I CG 1 +ATOM 16344 C CD1 . LEU I 1 57 ? 19.279 59.308 101.971 1.00 25.36 ? ? ? ? ? ? 56 LEU I CD1 1 +ATOM 16345 C CD2 . LEU I 1 57 ? 20.402 60.682 103.812 1.00 20.41 ? ? ? ? ? ? 56 LEU I CD2 1 +ATOM 16346 N N . ALA I 1 58 ? 18.039 63.871 100.861 1.00 24.10 ? ? ? ? ? ? 57 ALA I N 1 +ATOM 16347 C CA . ALA I 1 58 ? 16.729 64.477 101.181 1.00 24.23 ? ? ? ? ? ? 57 ALA I CA 1 +ATOM 16348 C C . ALA I 1 58 ? 15.750 64.423 99.986 1.00 24.92 ? ? ? ? ? ? 57 ALA I C 1 +ATOM 16349 O O . ALA I 1 58 ? 14.529 64.231 100.149 1.00 25.98 ? ? ? ? ? ? 57 ALA I O 1 +ATOM 16350 C CB . ALA I 1 58 ? 16.857 65.933 101.746 1.00 23.29 ? ? ? ? ? ? 57 ALA I CB 1 +ATOM 16351 N N . LEU I 1 59 ? 16.295 64.595 98.790 1.00 24.86 ? ? ? ? ? ? 58 LEU I N 1 +ATOM 16352 C CA . LEU I 1 59 ? 15.502 64.598 97.575 1.00 25.93 ? ? ? ? ? ? 58 LEU I CA 1 +ATOM 16353 C C . LEU I 1 59 ? 14.944 63.207 97.259 1.00 26.67 ? ? ? ? ? ? 58 LEU I C 1 +ATOM 16354 O O . LEU I 1 59 ? 13.758 63.069 96.972 1.00 26.99 ? ? ? ? ? ? 58 LEU I O 1 +ATOM 16355 C CB . LEU I 1 59 ? 16.340 65.144 96.412 1.00 25.31 ? ? ? ? ? ? 58 LEU I CB 1 +ATOM 16356 C CG . LEU I 1 59 ? 15.678 65.214 95.056 1.00 24.93 ? ? ? ? ? ? 58 LEU I CG 1 +ATOM 16357 C CD1 . LEU I 1 59 ? 14.404 65.981 95.114 1.00 23.13 ? ? ? ? ? ? 58 LEU I CD1 1 +ATOM 16358 C CD2 . LEU I 1 59 ? 16.677 65.888 94.111 1.00 26.91 ? ? ? ? ? ? 58 LEU I CD2 1 +ATOM 16359 N N . SER I 1 60 ? 15.785 62.181 97.343 1.00 27.91 ? ? ? ? ? ? 59 SER I N 1 +ATOM 16360 C CA . SER I 1 60 ? 15.336 60.793 97.083 1.00 31.25 ? ? ? ? ? ? 59 SER I CA 1 +ATOM 16361 C C . SER I 1 60 ? 14.378 60.274 98.129 1.00 31.88 ? ? ? ? ? ? 59 SER I C 1 +ATOM 16362 O O . SER I 1 60 ? 13.413 59.598 97.818 1.00 34.17 ? ? ? ? ? ? 59 SER I O 1 +ATOM 16363 C CB . SER I 1 60 ? 16.513 59.816 96.965 1.00 31.66 ? ? ? ? ? ? 59 SER I CB 1 +ATOM 16364 O OG . SER I 1 60 ? 17.132 59.599 98.208 1.00 37.19 ? ? ? ? ? ? 59 SER I OG 1 +ATOM 16365 N N . ARG I 1 61 ? 14.649 60.617 99.366 1.00 31.84 ? ? ? ? ? ? 60 ARG I N 1 +ATOM 16366 C CA . ARG I 1 61 ? 13.923 60.113 100.522 1.00 32.26 ? ? ? ? ? ? 60 ARG I CA 1 +ATOM 16367 C C . ARG I 1 61 ? 12.599 60.859 100.743 1.00 31.79 ? ? ? ? ? ? 60 ARG I C 1 +ATOM 16368 O O . ARG I 1 61 ? 11.593 60.259 101.080 1.00 33.13 ? ? ? ? ? ? 60 ARG I O 1 +ATOM 16369 C CB . ARG I 1 61 ? 14.862 60.253 101.741 1.00 32.33 ? ? ? ? ? ? 60 ARG I CB 1 +ATOM 16370 C CG . ARG I 1 61 ? 14.264 59.955 103.069 1.00 35.77 ? ? ? ? ? ? 60 ARG I CG 1 +ATOM 16371 C CD . ARG I 1 61 ? 15.351 59.719 104.088 1.00 37.36 ? ? ? ? ? ? 60 ARG I CD 1 +ATOM 16372 N NE . ARG I 1 61 ? 15.876 60.925 104.737 1.00 37.01 ? ? ? ? ? ? 60 ARG I NE 1 +ATOM 16373 C CZ . ARG I 1 61 ? 16.755 60.875 105.734 1.00 33.37 ? ? ? ? ? ? 60 ARG I CZ 1 +ATOM 16374 N NH1 . ARG I 1 61 ? 17.211 59.705 106.161 1.00 36.87 ? ? ? ? ? ? 60 ARG I NH1 1 +ATOM 16375 N NH2 . ARG I 1 61 ? 17.190 61.979 106.303 1.00 39.61 ? ? ? ? ? ? 60 ARG I NH2 1 +ATOM 16376 N N . SER I 1 62 ? 12.584 62.170 100.556 1.00 30.95 ? ? ? ? ? ? 61 SER I N 1 +ATOM 16377 C CA . SER I 1 62 ? 11.401 62.956 100.894 1.00 31.86 ? ? ? ? ? ? 61 SER I CA 1 +ATOM 16378 C C . SER I 1 62 ? 10.876 63.884 99.802 1.00 29.54 ? ? ? ? ? ? 61 SER I C 1 +ATOM 16379 O O . SER I 1 62 ? 9.843 64.556 99.994 1.00 29.24 ? ? ? ? ? ? 61 SER I O 1 +ATOM 16380 C CB . SER I 1 62 ? 11.724 63.780 102.125 1.00 33.47 ? ? ? ? ? ? 61 SER I CB 1 +ATOM 16381 O OG . SER I 1 62 ? 11.969 62.900 103.200 1.00 41.78 ? ? ? ? ? ? 61 SER I OG 1 +ATOM 16382 N N . GLY I 1 63 ? 11.578 63.942 98.676 1.00 28.27 ? ? ? ? ? ? 62 GLY I N 1 +ATOM 16383 C CA . GLY I 1 63 ? 11.257 64.867 97.631 1.00 27.97 ? ? ? ? ? ? 62 GLY I CA 1 +ATOM 16384 C C . GLY I 1 63 ? 11.518 66.310 98.014 1.00 28.28 ? ? ? ? ? ? 62 GLY I C 1 +ATOM 16385 O O . GLY I 1 63 ? 10.967 67.212 97.393 1.00 29.58 ? ? ? ? ? ? 62 GLY I O 1 +ATOM 16386 N N . VAL I 1 64 ? 12.347 66.539 99.036 1.00 27.68 ? ? ? ? ? ? 63 VAL I N 1 +ATOM 16387 C CA . VAL I 1 64 ? 12.750 67.882 99.408 1.00 25.73 ? ? ? ? ? ? 63 VAL I CA 1 +ATOM 16388 C C . VAL I 1 64 ? 13.992 68.266 98.579 1.00 25.22 ? ? ? ? ? ? 63 VAL I C 1 +ATOM 16389 O O . VAL I 1 64 ? 15.038 67.583 98.646 1.00 24.10 ? ? ? ? ? ? 63 VAL I O 1 +ATOM 16390 C CB . VAL I 1 64 ? 13.039 67.985 100.942 1.00 24.98 ? ? ? ? ? ? 63 VAL I CB 1 +ATOM 16391 C CG1 . VAL I 1 64 ? 13.501 69.388 101.317 1.00 23.26 ? ? ? ? ? ? 63 VAL I CG1 1 +ATOM 16392 C CG2 . VAL I 1 64 ? 11.814 67.639 101.714 1.00 24.93 ? ? ? ? ? ? 63 VAL I CG2 1 +ATOM 16393 N N . ARG I 1 65 ? 13.885 69.353 97.805 1.00 24.23 ? ? ? ? ? ? 64 ARG I N 1 +ATOM 16394 C CA . ARG I 1 65 ? 14.965 69.756 96.908 1.00 23.62 ? ? ? ? ? ? 64 ARG I CA 1 +ATOM 16395 C C . ARG I 1 65 ? 15.731 70.990 97.406 1.00 22.81 ? ? ? ? ? ? 64 ARG I C 1 +ATOM 16396 O O . ARG I 1 65 ? 15.142 72.042 97.645 1.00 22.68 ? ? ? ? ? ? 64 ARG I O 1 +ATOM 16397 C CB . ARG I 1 65 ? 14.418 70.023 95.499 1.00 25.32 ? ? ? ? ? ? 64 ARG I CB 1 +ATOM 16398 C CG . ARG I 1 65 ? 15.538 70.197 94.438 1.00 24.84 ? ? ? ? ? ? 64 ARG I CG 1 +ATOM 16399 C CD . ARG I 1 65 ? 14.984 70.493 93.043 1.00 26.22 ? ? ? ? ? ? 64 ARG I CD 1 +ATOM 16400 N NE . ARG I 1 65 ? 14.318 69.312 92.485 1.00 26.38 ? ? ? ? ? ? 64 ARG I NE 1 +ATOM 16401 C CZ . ARG I 1 65 ? 12.995 69.115 92.452 1.00 29.66 ? ? ? ? ? ? 64 ARG I CZ 1 +ATOM 16402 N NH1 . ARG I 1 65 ? 12.135 69.991 92.954 1.00 29.58 ? ? ? ? ? ? 64 ARG I NH1 1 +ATOM 16403 N NH2 . ARG I 1 65 ? 12.517 67.998 91.924 1.00 30.40 ? ? ? ? ? ? 64 ARG I NH2 1 +ATOM 16404 N N . CYS I 1 66 ? 17.043 70.833 97.568 1.00 22.80 ? ? ? ? ? ? 65 CYS I N 1 +ATOM 16405 C CA . CYS I 1 66 ? 17.934 71.861 98.118 1.00 23.20 ? ? ? ? ? ? 65 CYS I CA 1 +ATOM 16406 C C . CYS I 1 66 ? 19.003 72.213 97.091 1.00 22.65 ? ? ? ? ? ? 65 CYS I C 1 +ATOM 16407 O O . CYS I 1 66 ? 19.412 71.369 96.314 1.00 24.03 ? ? ? ? ? ? 65 CYS I O 1 +ATOM 16408 C CB . CYS I 1 66 ? 18.597 71.350 99.408 1.00 21.32 ? ? ? ? ? ? 65 CYS I CB 1 +ATOM 16409 S SG . CYS I 1 66 ? 17.392 70.871 100.698 1.00 27.51 ? ? ? ? ? ? 65 CYS I SG 1 +ATOM 16410 N N . MSE I 1 67 ? 19.443 73.460 97.072 1.00 20.79 ? ? ? ? ? ? 66 MSE I N 1 +ATOM 16411 C CA . MSE I 1 67 ? 20.535 73.842 96.194 1.00 19.18 ? ? ? ? ? ? 66 MSE I CA 1 +ATOM 16412 C C . MSE I 1 67 ? 21.782 74.151 97.000 1.00 18.81 ? ? ? ? ? ? 66 MSE I C 1 +ATOM 16413 O O . MSE I 1 67 ? 21.736 74.955 97.910 1.00 18.43 ? ? ? ? ? ? 66 MSE I O 1 +ATOM 16414 C CB . MSE I 1 67 ? 20.169 75.057 95.397 1.00 18.01 ? ? ? ? ? ? 66 MSE I CB 1 +ATOM 16415 C CG . MSE I 1 67 ? 21.268 75.551 94.510 1.00 19.08 ? ? ? ? ? ? 66 MSE I CG 1 +ATOM 16416 SE SE . MSE I 1 67 ? 21.959 74.232 93.252 0.75 21.17 ? ? ? ? ? ? 66 MSE I SE 1 +ATOM 16417 C CE . MSE I 1 67 ? 20.525 74.291 91.930 1.00 14.37 ? ? ? ? ? ? 66 MSE I CE 1 +ATOM 16418 N N . VAL I 1 68 ? 22.875 73.489 96.669 1.00 18.64 ? ? ? ? ? ? 67 VAL I N 1 +ATOM 16419 C CA . VAL I 1 68 ? 24.136 73.742 97.298 1.00 17.80 ? ? ? ? ? ? 67 VAL I CA 1 +ATOM 16420 C C . VAL I 1 68 ? 24.826 74.783 96.431 1.00 18.90 ? ? ? ? ? ? 67 VAL I C 1 +ATOM 16421 O O . VAL I 1 68 ? 25.156 74.526 95.265 1.00 18.88 ? ? ? ? ? ? 67 VAL I O 1 +ATOM 16422 C CB . VAL I 1 68 ? 24.954 72.462 97.418 1.00 18.50 ? ? ? ? ? ? 67 VAL I CB 1 +ATOM 16423 C CG1 . VAL I 1 68 ? 26.321 72.714 98.155 1.00 16.05 ? ? ? ? ? ? 67 VAL I CG1 1 +ATOM 16424 C CG2 . VAL I 1 68 ? 24.107 71.411 98.091 1.00 15.47 ? ? ? ? ? ? 67 VAL I CG2 1 +ATOM 16425 N N . MSE I 1 69 ? 25.022 75.959 97.005 1.00 17.48 ? ? ? ? ? ? 68 MSE I N 1 +ATOM 16426 C CA . MSE I 1 69 ? 25.704 77.049 96.330 1.00 18.32 ? ? ? ? ? ? 68 MSE I CA 1 +ATOM 16427 C C . MSE I 1 69 ? 27.214 76.789 96.244 1.00 18.89 ? ? ? ? ? ? 68 MSE I C 1 +ATOM 16428 O O . MSE I 1 69 ? 27.720 75.892 96.886 1.00 19.38 ? ? ? ? ? ? 68 MSE I O 1 +ATOM 16429 C CB . MSE I 1 69 ? 25.477 78.372 97.075 1.00 15.47 ? ? ? ? ? ? 68 MSE I CB 1 +ATOM 16430 C CG . MSE I 1 69 ? 24.011 78.755 97.221 1.00 21.67 ? ? ? ? ? ? 68 MSE I CG 1 +ATOM 16431 SE SE . MSE I 1 69 ? 23.154 79.221 95.552 0.75 18.92 ? ? ? ? ? ? 68 MSE I SE 1 +ATOM 16432 C CE . MSE I 1 69 ? 24.103 81.051 95.270 1.00 17.57 ? ? ? ? ? ? 68 MSE I CE 1 +ATOM 16433 N N . PRO I 1 70 ? 27.928 77.578 95.430 1.00 19.60 ? ? ? ? ? ? 69 PRO I N 1 +ATOM 16434 C CA . PRO I 1 70 ? 29.367 77.456 95.425 1.00 21.50 ? ? ? ? ? ? 69 PRO I CA 1 +ATOM 16435 C C . PRO I 1 70 ? 29.961 77.867 96.784 1.00 21.88 ? ? ? ? ? ? 69 PRO I C 1 +ATOM 16436 O O . PRO I 1 70 ? 29.476 78.834 97.420 1.00 20.94 ? ? ? ? ? ? 69 PRO I O 1 +ATOM 16437 C CB . PRO I 1 70 ? 29.798 78.433 94.314 1.00 21.70 ? ? ? ? ? ? 69 PRO I CB 1 +ATOM 16438 C CG . PRO I 1 70 ? 28.565 78.613 93.455 1.00 19.09 ? ? ? ? ? ? 69 PRO I CG 1 +ATOM 16439 C CD . PRO I 1 70 ? 27.471 78.593 94.461 1.00 19.56 ? ? ? ? ? ? 69 PRO I CD 1 +ATOM 16440 N N . PRO I 1 71 ? 30.984 77.137 97.230 1.00 22.40 ? ? ? ? ? ? 70 PRO I N 1 +ATOM 16441 C CA . PRO I 1 71 ? 31.596 77.411 98.531 1.00 22.22 ? ? ? ? ? ? 70 PRO I CA 1 +ATOM 16442 C C . PRO I 1 71 ? 32.263 78.760 98.576 1.00 21.89 ? ? ? ? ? ? 70 PRO I C 1 +ATOM 16443 O O . PRO I 1 71 ? 32.789 79.227 97.555 1.00 23.23 ? ? ? ? ? ? 70 PRO I O 1 +ATOM 16444 C CB . PRO I 1 71 ? 32.617 76.283 98.680 1.00 23.29 ? ? ? ? ? ? 70 PRO I CB 1 +ATOM 16445 C CG . PRO I 1 71 ? 32.189 75.264 97.731 1.00 21.84 ? ? ? ? ? ? 70 PRO I CG 1 +ATOM 16446 C CD . PRO I 1 71 ? 31.614 75.968 96.588 1.00 22.94 ? ? ? ? ? ? 70 PRO I CD 1 +ATOM 16447 N N . VAL I 1 72 ? 32.199 79.409 99.740 1.00 21.23 ? ? ? ? ? ? 71 VAL I N 1 +ATOM 16448 C CA . VAL I 1 72 ? 32.863 80.690 99.936 1.00 18.13 ? ? ? ? ? ? 71 VAL I CA 1 +ATOM 16449 C C . VAL I 1 72 ? 34.277 80.366 100.449 1.00 17.24 ? ? ? ? ? ? 71 VAL I C 1 +ATOM 16450 O O . VAL I 1 72 ? 34.431 79.714 101.454 1.00 17.28 ? ? ? ? ? ? 71 VAL I O 1 +ATOM 16451 C CB . VAL I 1 72 ? 32.044 81.597 100.872 1.00 19.42 ? ? ? ? ? ? 71 VAL I CB 1 +ATOM 16452 C CG1 . VAL I 1 72 ? 32.652 83.015 100.978 1.00 12.32 ? ? ? ? ? ? 71 VAL I CG1 1 +ATOM 16453 C CG2 . VAL I 1 72 ? 30.575 81.665 100.383 1.00 14.60 ? ? ? ? ? ? 71 VAL I CG2 1 +ATOM 16454 N N . PRO I 1 73 ? 35.325 80.762 99.713 1.00 17.17 ? ? ? ? ? ? 72 PRO I N 1 +ATOM 16455 C CA . PRO I 1 73 ? 36.677 80.413 100.167 1.00 17.71 ? ? ? ? ? ? 72 PRO I CA 1 +ATOM 16456 C C . PRO I 1 73 ? 37.327 81.400 101.131 1.00 18.03 ? ? ? ? ? ? 72 PRO I C 1 +ATOM 16457 O O . PRO I 1 73 ? 38.567 81.411 101.259 1.00 21.76 ? ? ? ? ? ? 72 PRO I O 1 +ATOM 16458 C CB . PRO I 1 73 ? 37.461 80.363 98.845 1.00 17.77 ? ? ? ? ? ? 72 PRO I CB 1 +ATOM 16459 C CG . PRO I 1 73 ? 36.873 81.400 98.031 1.00 22.63 ? ? ? ? ? ? 72 PRO I CG 1 +ATOM 16460 C CD . PRO I 1 73 ? 35.371 81.518 98.451 1.00 17.21 ? ? ? ? ? ? 72 PRO I CD 1 +ATOM 16461 N N . PHE I 1 74 ? 36.526 82.225 101.808 1.00 17.60 ? ? ? ? ? ? 73 PHE I N 1 +ATOM 16462 C CA . PHE I 1 74 ? 37.045 83.319 102.605 1.00 16.92 ? ? ? ? ? ? 73 PHE I CA 1 +ATOM 16463 C C . PHE I 1 74 ? 36.780 83.091 104.091 1.00 17.71 ? ? ? ? ? ? 73 PHE I C 1 +ATOM 16464 O O . PHE I 1 74 ? 35.675 83.372 104.596 1.00 18.07 ? ? ? ? ? ? 73 PHE I O 1 +ATOM 16465 C CB . PHE I 1 74 ? 36.446 84.645 102.138 1.00 18.17 ? ? ? ? ? ? 73 PHE I CB 1 +ATOM 16466 C CG . PHE I 1 74 ? 36.776 84.988 100.730 1.00 17.84 ? ? ? ? ? ? 73 PHE I CG 1 +ATOM 16467 C CD1 . PHE I 1 74 ? 38.079 85.367 100.381 1.00 22.77 ? ? ? ? ? ? 73 PHE I CD1 1 +ATOM 16468 C CD2 . PHE I 1 74 ? 35.809 84.909 99.746 1.00 16.89 ? ? ? ? ? ? 73 PHE I CD2 1 +ATOM 16469 C CE1 . PHE I 1 74 ? 38.395 85.663 99.063 1.00 23.40 ? ? ? ? ? ? 73 PHE I CE1 1 +ATOM 16470 C CE2 . PHE I 1 74 ? 36.109 85.182 98.444 1.00 20.14 ? ? ? ? ? ? 73 PHE I CE2 1 +ATOM 16471 C CZ . PHE I 1 74 ? 37.410 85.576 98.087 1.00 20.16 ? ? ? ? ? ? 73 PHE I CZ 1 +ATOM 16472 N N . GLY I 1 75 ? 37.807 82.583 104.774 1.00 17.89 ? ? ? ? ? ? 74 GLY I N 1 +ATOM 16473 C CA . GLY I 1 75 ? 37.784 82.290 106.191 1.00 17.38 ? ? ? ? ? ? 74 GLY I CA 1 +ATOM 16474 C C . GLY I 1 75 ? 38.485 83.316 107.057 1.00 17.03 ? ? ? ? ? ? 74 GLY I C 1 +ATOM 16475 O O . GLY I 1 75 ? 39.303 84.093 106.563 1.00 16.53 ? ? ? ? ? ? 74 GLY I O 1 +ATOM 16476 N N . ALA I 1 76 ? 38.173 83.274 108.355 1.00 16.59 ? ? ? ? ? ? 75 ALA I N 1 +ATOM 16477 C CA . ALA I 1 76 ? 38.800 84.077 109.369 1.00 16.83 ? ? ? ? ? ? 75 ALA I CA 1 +ATOM 16478 C C . ALA I 1 76 ? 39.938 83.279 110.017 1.00 18.03 ? ? ? ? ? ? 75 ALA I C 1 +ATOM 16479 O O . ALA I 1 76 ? 39.722 82.179 110.509 1.00 19.79 ? ? ? ? ? ? 75 ALA I O 1 +ATOM 16480 C CB . ALA I 1 76 ? 37.731 84.495 110.436 1.00 15.67 ? ? ? ? ? ? 75 ALA I CB 1 +ATOM 16481 N N . HIS I 1 77 ? 41.137 83.846 110.060 1.00 19.20 ? ? ? ? ? ? 76 HIS I N 1 +ATOM 16482 C CA . HIS I 1 77 ? 42.328 83.095 110.458 1.00 19.26 ? ? ? ? ? ? 76 HIS I CA 1 +ATOM 16483 C C . HIS I 1 77 ? 43.015 83.721 111.670 1.00 20.69 ? ? ? ? ? ? 76 HIS I C 1 +ATOM 16484 O O . HIS I 1 77 ? 42.539 84.736 112.188 1.00 19.81 ? ? ? ? ? ? 76 HIS I O 1 +ATOM 16485 C CB . HIS I 1 77 ? 43.243 82.888 109.221 1.00 17.97 ? ? ? ? ? ? 76 HIS I CB 1 +ATOM 16486 C CG . HIS I 1 77 ? 42.599 82.014 108.183 1.00 20.51 ? ? ? ? ? ? 76 HIS I CG 1 +ATOM 16487 N ND1 . HIS I 1 77 ? 42.378 80.670 108.382 1.00 17.59 ? ? ? ? ? ? 76 HIS I ND1 1 +ATOM 16488 C CD2 . HIS I 1 77 ? 42.033 82.313 106.995 1.00 21.32 ? ? ? ? ? ? 76 HIS I CD2 1 +ATOM 16489 C CE1 . HIS I 1 77 ? 41.749 80.175 107.336 1.00 26.31 ? ? ? ? ? ? 76 HIS I CE1 1 +ATOM 16490 N NE2 . HIS I 1 77 ? 41.513 81.155 106.486 1.00 23.84 ? ? ? ? ? ? 76 HIS I NE2 1 +ATOM 16491 N N . ASN I 1 78 ? 44.090 83.068 112.131 1.00 20.51 ? ? ? ? ? ? 77 ASN I N 1 +ATOM 16492 C CA . ASN I 1 78 ? 44.711 83.298 113.445 1.00 20.97 ? ? ? ? ? ? 77 ASN I CA 1 +ATOM 16493 C C . ASN I 1 78 ? 46.040 83.958 113.220 1.00 21.92 ? ? ? ? ? ? 77 ASN I C 1 +ATOM 16494 O O . ASN I 1 78 ? 46.606 83.858 112.127 1.00 22.03 ? ? ? ? ? ? 77 ASN I O 1 +ATOM 16495 C CB . ASN I 1 78 ? 44.959 81.960 114.223 1.00 18.45 ? ? ? ? ? ? 77 ASN I CB 1 +ATOM 16496 C CG . ASN I 1 78 ? 43.702 81.448 114.961 1.00 22.09 ? ? ? ? ? ? 77 ASN I CG 1 +ATOM 16497 O OD1 . ASN I 1 78 ? 42.583 81.681 114.531 1.00 22.59 ? ? ? ? ? ? 77 ASN I OD1 1 +ATOM 16498 N ND2 . ASN I 1 78 ? 43.900 80.720 116.057 1.00 19.39 ? ? ? ? ? ? 77 ASN I ND2 1 +ATOM 16499 N N . PRO I 1 79 ? 46.571 84.607 114.274 1.00 23.31 ? ? ? ? ? ? 78 PRO I N 1 +ATOM 16500 C CA . PRO I 1 79 ? 47.948 85.104 114.180 1.00 23.27 ? ? ? ? ? ? 78 PRO I CA 1 +ATOM 16501 C C . PRO I 1 79 ? 48.887 84.015 113.718 1.00 22.57 ? ? ? ? ? ? 78 PRO I C 1 +ATOM 16502 O O . PRO I 1 79 ? 48.769 82.893 114.149 1.00 22.78 ? ? ? ? ? ? 78 PRO I O 1 +ATOM 16503 C CB . PRO I 1 79 ? 48.249 85.502 115.626 1.00 23.81 ? ? ? ? ? ? 78 PRO I CB 1 +ATOM 16504 C CG . PRO I 1 79 ? 46.875 85.916 116.167 1.00 23.45 ? ? ? ? ? ? 78 PRO I CG 1 +ATOM 16505 C CD . PRO I 1 79 ? 45.979 84.881 115.608 1.00 22.08 ? ? ? ? ? ? 78 PRO I CD 1 +ATOM 16506 N N . GLY I 1 80 ? 49.810 84.330 112.831 1.00 22.18 ? ? ? ? ? ? 79 GLY I N 1 +ATOM 16507 C CA . GLY I 1 80 ? 50.762 83.326 112.352 1.00 23.44 ? ? ? ? ? ? 79 GLY I CA 1 +ATOM 16508 C C . GLY I 1 80 ? 50.375 82.623 111.062 1.00 23.64 ? ? ? ? ? ? 79 GLY I C 1 +ATOM 16509 O O . GLY I 1 80 ? 51.245 82.142 110.352 1.00 25.73 ? ? ? ? ? ? 79 GLY I O 1 +ATOM 16510 N N . GLN I 1 81 ? 49.076 82.587 110.753 1.00 23.01 ? ? ? ? ? ? 80 GLN I N 1 +ATOM 16511 C CA . GLN I 1 81 ? 48.568 81.913 109.590 1.00 23.39 ? ? ? ? ? ? 80 GLN I CA 1 +ATOM 16512 C C . GLN I 1 81 ? 48.628 82.803 108.346 1.00 24.64 ? ? ? ? ? ? 80 GLN I C 1 +ATOM 16513 O O . GLN I 1 81 ? 48.807 82.320 107.227 1.00 24.74 ? ? ? ? ? ? 80 GLN I O 1 +ATOM 16514 C CB . GLN I 1 81 ? 47.119 81.510 109.792 1.00 22.28 ? ? ? ? ? ? 80 GLN I CB 1 +ATOM 16515 C CG . GLN I 1 81 ? 46.874 80.421 110.759 1.00 20.60 ? ? ? ? ? ? 80 GLN I CG 1 +ATOM 16516 C CD . GLN I 1 81 ? 45.487 79.828 110.619 1.00 23.17 ? ? ? ? ? ? 80 GLN I CD 1 +ATOM 16517 O OE1 . GLN I 1 81 ? 44.495 80.372 111.112 1.00 24.75 ? ? ? ? ? ? 80 GLN I OE1 1 +ATOM 16518 N NE2 . GLN I 1 81 ? 45.414 78.689 109.969 1.00 20.24 ? ? ? ? ? ? 80 GLN I NE2 1 +ATOM 16519 N N . ARG I 1 82 ? 48.417 84.103 108.542 1.00 24.47 ? ? ? ? ? ? 81 ARG I N 1 +ATOM 16520 C CA . ARG I 1 82 ? 48.386 85.040 107.441 1.00 26.60 ? ? ? ? ? ? 81 ARG I CA 1 +ATOM 16521 C C . ARG I 1 82 ? 49.752 85.098 106.714 1.00 26.15 ? ? ? ? ? ? 81 ARG I C 1 +ATOM 16522 O O . ARG I 1 82 ? 49.809 85.356 105.532 1.00 27.32 ? ? ? ? ? ? 81 ARG I O 1 +ATOM 16523 C CB . ARG I 1 82 ? 47.933 86.405 107.990 1.00 27.35 ? ? ? ? ? ? 81 ARG I CB 1 +ATOM 16524 C CG . ARG I 1 82 ? 47.663 87.451 106.959 1.00 28.17 ? ? ? ? ? ? 81 ARG I CG 1 +ATOM 16525 C CD . ARG I 1 82 ? 47.205 88.743 107.601 1.00 27.71 ? ? ? ? ? ? 81 ARG I CD 1 +ATOM 16526 N NE . ARG I 1 82 ? 48.236 89.396 108.419 1.00 35.14 ? ? ? ? ? ? 81 ARG I NE 1 +ATOM 16527 C CZ . ARG I 1 82 ? 48.265 90.705 108.719 1.00 35.08 ? ? ? ? ? ? 81 ARG I CZ 1 +ATOM 16528 N NH1 . ARG I 1 82 ? 47.360 91.553 108.268 1.00 31.67 ? ? ? ? ? ? 81 ARG I NH1 1 +ATOM 16529 N NH2 . ARG I 1 82 ? 49.221 91.177 109.489 1.00 38.68 ? ? ? ? ? ? 81 ARG I NH2 1 +ATOM 16530 N N . GLU I 1 83 ? 50.841 84.822 107.423 1.00 26.87 ? ? ? ? ? ? 82 GLU I N 1 +ATOM 16531 C CA . GLU I 1 83 ? 52.169 84.901 106.839 1.00 29.75 ? ? ? ? ? ? 82 GLU I CA 1 +ATOM 16532 C C . GLU I 1 83 ? 52.537 83.653 106.038 1.00 26.82 ? ? ? ? ? ? 82 GLU I C 1 +ATOM 16533 O O . GLU I 1 83 ? 53.528 83.661 105.344 1.00 25.87 ? ? ? ? ? ? 82 GLU I O 1 +ATOM 16534 C CB . GLU I 1 83 ? 53.227 85.187 107.923 1.00 31.69 ? ? ? ? ? ? 82 GLU I CB 1 +ATOM 16535 C CG . GLU I 1 83 ? 53.686 83.958 108.734 1.00 38.01 ? ? ? ? ? ? 82 GLU I CG 1 +ATOM 16536 C CD . GLU I 1 83 ? 54.267 84.299 110.139 1.00 39.98 ? ? ? ? ? ? 82 GLU I CD 1 +ATOM 16537 O OE1 . GLU I 1 83 ? 53.807 85.275 110.792 1.00 51.58 ? ? ? ? ? ? 82 GLU I OE1 1 +ATOM 16538 O OE2 . GLU I 1 83 ? 55.150 83.537 110.604 1.00 49.61 ? ? ? ? ? ? 82 GLU I OE2 1 +ATOM 16539 N N . LEU I 1 84 ? 51.741 82.590 106.134 1.00 25.05 ? ? ? ? ? ? 83 LEU I N 1 +ATOM 16540 C CA . LEU I 1 84 ? 51.983 81.364 105.362 1.00 24.23 ? ? ? ? ? ? 83 LEU I CA 1 +ATOM 16541 C C . LEU I 1 84 ? 51.550 81.586 103.930 1.00 23.35 ? ? ? ? ? ? 83 LEU I C 1 +ATOM 16542 O O . LEU I 1 84 ? 50.471 82.142 103.704 1.00 21.66 ? ? ? ? ? ? 83 LEU I O 1 +ATOM 16543 C CB . LEU I 1 84 ? 51.183 80.188 105.962 1.00 25.32 ? ? ? ? ? ? 83 LEU I CB 1 +ATOM 16544 C CG . LEU I 1 84 ? 51.457 79.697 107.386 1.00 25.69 ? ? ? ? ? ? 83 LEU I CG 1 +ATOM 16545 C CD1 . LEU I 1 84 ? 50.343 78.701 107.847 1.00 21.31 ? ? ? ? ? ? 83 LEU I CD1 1 +ATOM 16546 C CD2 . LEU I 1 84 ? 52.839 79.095 107.464 1.00 27.73 ? ? ? ? ? ? 83 LEU I CD2 1 +ATOM 16547 N N . PRO I 1 85 ? 52.344 81.119 102.936 1.00 23.35 ? ? ? ? ? ? 84 PRO I N 1 +ATOM 16548 C CA . PRO I 1 85 ? 51.938 81.468 101.552 1.00 22.71 ? ? ? ? ? ? 84 PRO I CA 1 +ATOM 16549 C C . PRO I 1 85 ? 50.524 81.030 101.175 1.00 21.45 ? ? ? ? ? ? 84 PRO I C 1 +ATOM 16550 O O . PRO I 1 85 ? 50.103 79.887 101.458 1.00 21.46 ? ? ? ? ? ? 84 PRO I O 1 +ATOM 16551 C CB . PRO I 1 85 ? 52.979 80.763 100.686 1.00 23.99 ? ? ? ? ? ? 84 PRO I CB 1 +ATOM 16552 C CG . PRO I 1 85 ? 53.508 79.678 101.556 1.00 27.48 ? ? ? ? ? ? 84 PRO I CG 1 +ATOM 16553 C CD . PRO I 1 85 ? 53.560 80.297 102.927 1.00 23.97 ? ? ? ? ? ? 84 PRO I CD 1 +ATOM 16554 N N . PHE I 1 86 ? 49.814 81.973 100.556 1.00 21.62 ? ? ? ? ? ? 85 PHE I N 1 +ATOM 16555 C CA . PHE I 1 86 ? 48.455 81.827 99.993 1.00 20.62 ? ? ? ? ? ? 85 PHE I CA 1 +ATOM 16556 C C . PHE I 1 86 ? 47.337 81.618 101.006 1.00 20.76 ? ? ? ? ? ? 85 PHE I C 1 +ATOM 16557 O O . PHE I 1 86 ? 46.192 81.309 100.635 1.00 21.80 ? ? ? ? ? ? 85 PHE I O 1 +ATOM 16558 C CB . PHE I 1 86 ? 48.424 80.768 98.908 1.00 21.31 ? ? ? ? ? ? 85 PHE I CB 1 +ATOM 16559 C CG . PHE I 1 86 ? 49.635 80.791 98.038 1.00 22.61 ? ? ? ? ? ? 85 PHE I CG 1 +ATOM 16560 C CD1 . PHE I 1 86 ? 49.944 81.931 97.309 1.00 24.63 ? ? ? ? ? ? 85 PHE I CD1 1 +ATOM 16561 C CD2 . PHE I 1 86 ? 50.493 79.703 97.985 1.00 20.02 ? ? ? ? ? ? 85 PHE I CD2 1 +ATOM 16562 C CE1 . PHE I 1 86 ? 51.078 81.983 96.529 1.00 22.88 ? ? ? ? ? ? 85 PHE I CE1 1 +ATOM 16563 C CE2 . PHE I 1 86 ? 51.651 79.751 97.199 1.00 25.90 ? ? ? ? ? ? 85 PHE I CE2 1 +ATOM 16564 C CZ . PHE I 1 86 ? 51.939 80.880 96.477 1.00 20.51 ? ? ? ? ? ? 85 PHE I CZ 1 +ATOM 16565 N N . CYS I 1 87 ? 47.649 81.798 102.285 1.00 20.93 ? ? ? ? ? ? 86 CYS I N 1 +ATOM 16566 C CA . CYS I 1 87 ? 46.607 81.883 103.288 1.00 21.15 ? ? ? ? ? ? 86 CYS I CA 1 +ATOM 16567 C C . CYS I 1 87 ? 45.901 83.249 103.242 1.00 21.27 ? ? ? ? ? ? 86 CYS I C 1 +ATOM 16568 O O . CYS I 1 87 ? 46.553 84.293 103.313 1.00 22.96 ? ? ? ? ? ? 86 CYS I O 1 +ATOM 16569 C CB . CYS I 1 87 ? 47.218 81.682 104.656 1.00 21.95 ? ? ? ? ? ? 86 CYS I CB 1 +ATOM 16570 S SG . CYS I 1 87 ? 45.965 81.551 105.925 1.00 21.39 ? ? ? ? ? ? 86 CYS I SG 1 +ATOM 16571 N N . ILE I 1 88 ? 44.577 83.255 103.111 1.00 19.49 ? ? ? ? ? ? 87 ILE I N 1 +ATOM 16572 C CA . ILE I 1 88 ? 43.848 84.516 102.988 1.00 19.75 ? ? ? ? ? ? 87 ILE I CA 1 +ATOM 16573 C C . ILE I 1 88 ? 42.983 84.766 104.211 1.00 18.79 ? ? ? ? ? ? 87 ILE I C 1 +ATOM 16574 O O . ILE I 1 88 ? 41.984 84.083 104.409 1.00 18.67 ? ? ? ? ? ? 87 ILE I O 1 +ATOM 16575 C CB . ILE I 1 88 ? 43.002 84.618 101.664 1.00 19.59 ? ? ? ? ? ? 87 ILE I CB 1 +ATOM 16576 C CG1 . ILE I 1 88 ? 43.878 84.347 100.410 1.00 21.34 ? ? ? ? ? ? 87 ILE I CG1 1 +ATOM 16577 C CG2 . ILE I 1 88 ? 42.266 85.983 101.562 1.00 16.82 ? ? ? ? ? ? 87 ILE I CG2 1 +ATOM 16578 C CD1 . ILE I 1 88 ? 45.186 85.193 100.288 1.00 18.66 ? ? ? ? ? ? 87 ILE I CD1 1 +ATOM 16579 N N . HIS I 1 89 ? 43.375 85.749 105.027 1.00 18.58 ? ? ? ? ? ? 88 HIS I N 1 +ATOM 16580 C CA . HIS I 1 89 ? 42.572 86.126 106.196 1.00 18.08 ? ? ? ? ? ? 88 HIS I CA 1 +ATOM 16581 C C . HIS I 1 89 ? 41.501 87.090 105.744 1.00 17.49 ? ? ? ? ? ? 88 HIS I C 1 +ATOM 16582 O O . HIS I 1 89 ? 41.810 88.072 105.056 1.00 17.93 ? ? ? ? ? ? 88 HIS I O 1 +ATOM 16583 C CB . HIS I 1 89 ? 43.388 86.731 107.347 1.00 16.01 ? ? ? ? ? ? 88 HIS I CB 1 +ATOM 16584 C CG . HIS I 1 89 ? 42.532 87.379 108.389 1.00 20.28 ? ? ? ? ? ? 88 HIS I CG 1 +ATOM 16585 N ND1 . HIS I 1 89 ? 41.664 86.659 109.193 1.00 20.63 ? ? ? ? ? ? 88 HIS I ND1 1 +ATOM 16586 C CD2 . HIS I 1 89 ? 42.344 88.689 108.704 1.00 17.69 ? ? ? ? ? ? 88 HIS I CD2 1 +ATOM 16587 C CE1 . HIS I 1 89 ? 41.005 87.497 109.976 1.00 21.37 ? ? ? ? ? ? 88 HIS I CE1 1 +ATOM 16588 N NE2 . HIS I 1 89 ? 41.402 88.732 109.700 1.00 19.97 ? ? ? ? ? ? 88 HIS I NE2 1 +ATOM 16589 N N . THR I 1 90 ? 40.259 86.790 106.122 1.00 17.12 ? ? ? ? ? ? 89 THR I N 1 +ATOM 16590 C CA . THR I 1 90 ? 39.087 87.616 105.790 1.00 17.58 ? ? ? ? ? ? 89 THR I CA 1 +ATOM 16591 C C . THR I 1 90 ? 38.546 88.257 107.062 1.00 16.61 ? ? ? ? ? ? 89 THR I C 1 +ATOM 16592 O O . THR I 1 90 ? 38.202 87.554 108.031 1.00 17.06 ? ? ? ? ? ? 89 THR I O 1 +ATOM 16593 C CB . THR I 1 90 ? 37.971 86.762 105.119 1.00 16.18 ? ? ? ? ? ? 89 THR I CB 1 +ATOM 16594 O OG1 . THR I 1 90 ? 38.542 85.893 104.135 1.00 16.88 ? ? ? ? ? ? 89 THR I OG1 1 +ATOM 16595 C CG2 . THR I 1 90 ? 36.945 87.618 104.459 1.00 14.55 ? ? ? ? ? ? 89 THR I CG2 1 +ATOM 16596 N N . ARG I 1 91 ? 38.493 89.583 107.076 1.00 14.94 ? ? ? ? ? ? 90 ARG I N 1 +ATOM 16597 C CA . ARG I 1 91 ? 37.884 90.319 108.188 1.00 15.52 ? ? ? ? ? ? 90 ARG I CA 1 +ATOM 16598 C C . ARG I 1 91 ? 36.384 89.933 108.368 1.00 16.83 ? ? ? ? ? ? 90 ARG I C 1 +ATOM 16599 O O . ARG I 1 91 ? 35.705 89.589 107.405 1.00 16.08 ? ? ? ? ? ? 90 ARG I O 1 +ATOM 16600 C CB . ARG I 1 91 ? 37.972 91.815 107.936 1.00 15.34 ? ? ? ? ? ? 90 ARG I CB 1 +ATOM 16601 C CG . ARG I 1 91 ? 39.320 92.434 108.146 1.00 18.31 ? ? ? ? ? ? 90 ARG I CG 1 +ATOM 16602 C CD . ARG I 1 91 ? 39.346 93.878 107.726 1.00 19.83 ? ? ? ? ? ? 90 ARG I CD 1 +ATOM 16603 N NE . ARG I 1 91 ? 39.228 94.021 106.266 1.00 23.95 ? ? ? ? ? ? 90 ARG I NE 1 +ATOM 16604 C CZ . ARG I 1 91 ? 39.176 95.182 105.626 1.00 22.11 ? ? ? ? ? ? 90 ARG I CZ 1 +ATOM 16605 N NH1 . ARG I 1 91 ? 39.213 96.305 106.319 1.00 24.02 ? ? ? ? ? ? 90 ARG I NH1 1 +ATOM 16606 N NH2 . ARG I 1 91 ? 39.052 95.214 104.294 1.00 19.77 ? ? ? ? ? ? 90 ARG I NH2 1 +ATOM 16607 N N . TYR I 1 92 ? 35.888 90.000 109.598 1.00 17.60 ? ? ? ? ? ? 91 TYR I N 1 +ATOM 16608 C CA . TYR I 1 92 ? 34.492 89.702 109.891 1.00 17.50 ? ? ? ? ? ? 91 TYR I CA 1 +ATOM 16609 C C . TYR I 1 92 ? 33.574 90.545 109.015 1.00 15.53 ? ? ? ? ? ? 91 TYR I C 1 +ATOM 16610 O O . TYR I 1 92 ? 32.577 90.060 108.480 1.00 17.11 ? ? ? ? ? ? 91 TYR I O 1 +ATOM 16611 C CB . TYR I 1 92 ? 34.154 89.964 111.370 1.00 18.38 ? ? ? ? ? ? 91 TYR I CB 1 +ATOM 16612 C CG . TYR I 1 92 ? 32.813 89.401 111.821 1.00 18.48 ? ? ? ? ? ? 91 TYR I CG 1 +ATOM 16613 C CD1 . TYR I 1 92 ? 31.602 90.133 111.739 1.00 19.61 ? ? ? ? ? ? 91 TYR I CD1 1 +ATOM 16614 C CD2 . TYR I 1 92 ? 32.758 88.137 112.374 1.00 23.95 ? ? ? ? ? ? 91 TYR I CD2 1 +ATOM 16615 C CE1 . TYR I 1 92 ? 30.363 89.550 112.196 1.00 17.55 ? ? ? ? ? ? 91 TYR I CE1 1 +ATOM 16616 C CE2 . TYR I 1 92 ? 31.550 87.562 112.800 1.00 24.44 ? ? ? ? ? ? 91 TYR I CE2 1 +ATOM 16617 C CZ . TYR I 1 92 ? 30.359 88.264 112.726 1.00 21.02 ? ? ? ? ? ? 91 TYR I CZ 1 +ATOM 16618 O OH . TYR I 1 92 ? 29.222 87.558 113.191 1.00 25.36 ? ? ? ? ? ? 91 TYR I OH 1 +ATOM 16619 N N . ALA I 1 93 ? 33.902 91.818 108.912 1.00 16.45 ? ? ? ? ? ? 92 ALA I N 1 +ATOM 16620 C CA . ALA I 1 93 ? 33.100 92.792 108.144 1.00 16.28 ? ? ? ? ? ? 92 ALA I CA 1 +ATOM 16621 C C . ALA I 1 93 ? 33.016 92.462 106.661 1.00 15.44 ? ? ? ? ? ? 92 ALA I C 1 +ATOM 16622 O O . ALA I 1 93 ? 32.028 92.789 105.983 1.00 15.70 ? ? ? ? ? ? 92 ALA I O 1 +ATOM 16623 C CB . ALA I 1 93 ? 33.682 94.252 108.360 1.00 18.08 ? ? ? ? ? ? 92 ALA I CB 1 +ATOM 16624 N N . THR I 1 94 ? 34.060 91.840 106.139 1.00 15.94 ? ? ? ? ? ? 93 THR I N 1 +ATOM 16625 C CA . THR I 1 94 ? 34.092 91.415 104.745 1.00 14.57 ? ? ? ? ? ? 93 THR I CA 1 +ATOM 16626 C C . THR I 1 94 ? 33.198 90.210 104.590 1.00 15.94 ? ? ? ? ? ? 93 THR I C 1 +ATOM 16627 O O . THR I 1 94 ? 32.357 90.156 103.680 1.00 15.90 ? ? ? ? ? ? 93 THR I O 1 +ATOM 16628 C CB . THR I 1 94 ? 35.537 91.054 104.297 1.00 13.75 ? ? ? ? ? ? 93 THR I CB 1 +ATOM 16629 O OG1 . THR I 1 94 ? 36.384 92.182 104.520 1.00 11.67 ? ? ? ? ? ? 93 THR I OG1 1 +ATOM 16630 C CG2 . THR I 1 94 ? 35.552 90.603 102.814 1.00 11.28 ? ? ? ? ? ? 93 THR I CG2 1 +ATOM 16631 N N . GLN I 1 95 ? 33.339 89.255 105.499 1.00 16.13 ? ? ? ? ? ? 94 GLN I N 1 +ATOM 16632 C CA . GLN I 1 95 ? 32.447 88.103 105.504 1.00 15.73 ? ? ? ? ? ? 94 GLN I CA 1 +ATOM 16633 C C . GLN I 1 95 ? 30.998 88.511 105.632 1.00 15.76 ? ? ? ? ? ? 94 GLN I C 1 +ATOM 16634 O O . GLN I 1 95 ? 30.158 87.940 104.971 1.00 15.50 ? ? ? ? ? ? 94 GLN I O 1 +ATOM 16635 C CB . GLN I 1 95 ? 32.776 87.148 106.645 1.00 15.72 ? ? ? ? ? ? 94 GLN I CB 1 +ATOM 16636 C CG . GLN I 1 95 ? 34.126 86.474 106.498 1.00 17.29 ? ? ? ? ? ? 94 GLN I CG 1 +ATOM 16637 C CD . GLN I 1 95 ? 34.428 85.576 107.659 1.00 15.76 ? ? ? ? ? ? 94 GLN I CD 1 +ATOM 16638 O OE1 . GLN I 1 95 ? 34.132 85.909 108.815 1.00 20.03 ? ? ? ? ? ? 94 GLN I OE1 1 +ATOM 16639 N NE2 . GLN I 1 95 ? 34.984 84.413 107.371 1.00 15.11 ? ? ? ? ? ? 94 GLN I NE2 1 +ATOM 16640 N N . GLN I 1 96 ? 30.709 89.493 106.489 1.00 16.64 ? ? ? ? ? ? 95 GLN I N 1 +ATOM 16641 C CA . GLN I 1 96 ? 29.331 89.965 106.688 1.00 16.55 ? ? ? ? ? ? 95 GLN I CA 1 +ATOM 16642 C C . GLN I 1 96 ? 28.785 90.628 105.425 1.00 15.46 ? ? ? ? ? ? 95 GLN I C 1 +ATOM 16643 O O . GLN I 1 96 ? 27.620 90.453 105.106 1.00 16.75 ? ? ? ? ? ? 95 GLN I O 1 +ATOM 16644 C CB . GLN I 1 96 ? 29.246 90.928 107.885 1.00 16.88 ? ? ? ? ? ? 95 GLN I CB 1 +ATOM 16645 C CG . GLN I 1 96 ? 27.833 91.529 108.109 1.00 21.50 ? ? ? ? ? ? 95 GLN I CG 1 +ATOM 16646 C CD . GLN I 1 96 ? 27.702 92.372 109.380 1.00 25.66 ? ? ? ? ? ? 95 GLN I CD 1 +ATOM 16647 O OE1 . GLN I 1 96 ? 28.259 92.069 110.429 1.00 32.08 ? ? ? ? ? ? 95 GLN I OE1 1 +ATOM 16648 N NE2 . GLN I 1 96 ? 26.923 93.433 109.272 1.00 39.79 ? ? ? ? ? ? 95 GLN I NE2 1 +ATOM 16649 N N . ALA I 1 97 ? 29.627 91.406 104.735 1.00 15.85 ? ? ? ? ? ? 96 ALA I N 1 +ATOM 16650 C CA . ALA I 1 97 ? 29.292 91.999 103.447 1.00 14.98 ? ? ? ? ? ? 96 ALA I CA 1 +ATOM 16651 C C . ALA I 1 97 ? 28.946 90.912 102.422 1.00 16.17 ? ? ? ? ? ? 96 ALA I C 1 +ATOM 16652 O O . ALA I 1 97 ? 27.924 91.010 101.750 1.00 14.39 ? ? ? ? ? ? 96 ALA I O 1 +ATOM 16653 C CB . ALA I 1 97 ? 30.464 92.882 102.941 1.00 14.62 ? ? ? ? ? ? 96 ALA I CB 1 +ATOM 16654 N N . ILE I 1 98 ? 29.765 89.856 102.336 1.00 15.49 ? ? ? ? ? ? 97 ILE I N 1 +ATOM 16655 C CA . ILE I 1 98 ? 29.439 88.707 101.474 1.00 14.60 ? ? ? ? ? ? 97 ILE I CA 1 +ATOM 16656 C C . ILE I 1 98 ? 28.074 88.066 101.815 1.00 15.63 ? ? ? ? ? ? 97 ILE I C 1 +ATOM 16657 O O . ILE I 1 98 ? 27.221 87.875 100.944 1.00 15.69 ? ? ? ? ? ? 97 ILE I O 1 +ATOM 16658 C CB . ILE I 1 98 ? 30.567 87.615 101.494 1.00 14.51 ? ? ? ? ? ? 97 ILE I CB 1 +ATOM 16659 C CG1 . ILE I 1 98 ? 31.865 88.126 100.849 1.00 14.49 ? ? ? ? ? ? 97 ILE I CG1 1 +ATOM 16660 C CG2 . ILE I 1 98 ? 30.073 86.364 100.789 1.00 17.31 ? ? ? ? ? ? 97 ILE I CG2 1 +ATOM 16661 C CD1 . ILE I 1 98 ? 33.140 87.349 101.222 1.00 12.14 ? ? ? ? ? ? 97 ILE I CD1 1 +ATOM 16662 N N . LEU I 1 99 ? 27.848 87.738 103.074 1.00 15.88 ? ? ? ? ? ? 98 LEU I N 1 +ATOM 16663 C CA . LEU I 1 99 ? 26.570 87.110 103.460 1.00 16.73 ? ? ? ? ? ? 98 LEU I CA 1 +ATOM 16664 C C . LEU I 1 99 ? 25.375 88.042 103.197 1.00 17.28 ? ? ? ? ? ? 98 LEU I C 1 +ATOM 16665 O O . LEU I 1 99 ? 24.326 87.585 102.727 1.00 17.85 ? ? ? ? ? ? 98 LEU I O 1 +ATOM 16666 C CB . LEU I 1 99 ? 26.587 86.634 104.924 1.00 16.83 ? ? ? ? ? ? 98 LEU I CB 1 +ATOM 16667 C CG . LEU I 1 99 ? 25.363 85.820 105.365 1.00 18.03 ? ? ? ? ? ? 98 LEU I CG 1 +ATOM 16668 C CD1 . LEU I 1 99 ? 25.271 84.481 104.551 1.00 13.92 ? ? ? ? ? ? 98 LEU I CD1 1 +ATOM 16669 C CD2 . LEU I 1 99 ? 25.462 85.567 106.857 1.00 14.20 ? ? ? ? ? ? 98 LEU I CD2 1 +ATOM 16670 N N . GLU I 1 100 ? 25.558 89.344 103.433 1.00 18.11 ? ? ? ? ? ? 99 GLU I N 1 +ATOM 16671 C CA . GLU I 1 100 ? 24.523 90.348 103.127 1.00 18.24 ? ? ? ? ? ? 99 GLU I CA 1 +ATOM 16672 C C . GLU I 1 100 ? 24.124 90.332 101.663 1.00 17.81 ? ? ? ? ? ? 99 GLU I C 1 +ATOM 16673 O O . GLU I 1 100 ? 22.923 90.366 101.340 1.00 17.58 ? ? ? ? ? ? 99 GLU I O 1 +ATOM 16674 C CB . GLU I 1 100 ? 24.976 91.769 103.527 1.00 18.42 ? ? ? ? ? ? 99 GLU I CB 1 +ATOM 16675 C CG . GLU I 1 100 ? 24.894 92.035 105.017 1.00 20.90 ? ? ? ? ? ? 99 GLU I CG 1 +ATOM 16676 C CD . GLU I 1 100 ? 25.588 93.341 105.490 1.00 22.91 ? ? ? ? ? ? 99 GLU I CD 1 +ATOM 16677 O OE1 . GLU I 1 100 ? 26.323 94.002 104.699 1.00 25.73 ? ? ? ? ? ? 99 GLU I OE1 1 +ATOM 16678 O OE2 . GLU I 1 100 ? 25.419 93.668 106.700 1.00 24.94 ? ? ? ? ? ? 99 GLU I OE2 1 +ATOM 16679 N N . ASP I 1 101 ? 25.116 90.283 100.782 1.00 16.74 ? ? ? ? ? ? 100 ASP I N 1 +ATOM 16680 C CA . ASP I 1 101 ? 24.866 90.232 99.340 1.00 17.10 ? ? ? ? ? ? 100 ASP I CA 1 +ATOM 16681 C C . ASP I 1 101 ? 24.183 88.933 98.899 1.00 17.73 ? ? ? ? ? ? 100 ASP I C 1 +ATOM 16682 O O . ASP I 1 101 ? 23.246 88.951 98.057 1.00 18.68 ? ? ? ? ? ? 100 ASP I O 1 +ATOM 16683 C CB . ASP I 1 101 ? 26.176 90.487 98.553 1.00 15.59 ? ? ? ? ? ? 100 ASP I CB 1 +ATOM 16684 C CG . ASP I 1 101 ? 26.639 91.942 98.652 1.00 22.34 ? ? ? ? ? ? 100 ASP I CG 1 +ATOM 16685 O OD1 . ASP I 1 101 ? 25.868 92.778 99.166 1.00 21.98 ? ? ? ? ? ? 100 ASP I OD1 1 +ATOM 16686 O OD2 . ASP I 1 101 ? 27.787 92.263 98.266 1.00 22.46 ? ? ? ? ? ? 100 ASP I OD2 1 +ATOM 16687 N N . ILE I 1 102 ? 24.625 87.812 99.472 1.00 17.74 ? ? ? ? ? ? 101 ILE I N 1 +ATOM 16688 C CA . ILE I 1 102 ? 24.029 86.512 99.175 1.00 16.06 ? ? ? ? ? ? 101 ILE I CA 1 +ATOM 16689 C C . ILE I 1 102 ? 22.580 86.514 99.619 1.00 16.49 ? ? ? ? ? ? 101 ILE I C 1 +ATOM 16690 O O . ILE I 1 102 ? 21.725 86.153 98.872 1.00 17.49 ? ? ? ? ? ? 101 ILE I O 1 +ATOM 16691 C CB . ILE I 1 102 ? 24.826 85.318 99.789 1.00 13.66 ? ? ? ? ? ? 101 ILE I CB 1 +ATOM 16692 C CG1 . ILE I 1 102 ? 26.165 85.148 99.076 1.00 15.76 ? ? ? ? ? ? 101 ILE I CG1 1 +ATOM 16693 C CG2 . ILE I 1 102 ? 24.018 84.012 99.727 1.00 14.01 ? ? ? ? ? ? 101 ILE I CG2 1 +ATOM 16694 C CD1 . ILE I 1 102 ? 27.221 84.384 99.890 1.00 14.62 ? ? ? ? ? ? 101 ILE I CD1 1 +ATOM 16695 N N . VAL I 1 103 ? 22.312 86.985 100.822 1.00 17.21 ? ? ? ? ? ? 102 VAL I N 1 +ATOM 16696 C CA . VAL I 1 103 ? 20.977 87.011 101.356 1.00 17.58 ? ? ? ? ? ? 102 VAL I CA 1 +ATOM 16697 C C . VAL I 1 103 ? 20.040 87.999 100.602 1.00 17.90 ? ? ? ? ? ? 102 VAL I C 1 +ATOM 16698 O O . VAL I 1 103 ? 18.918 87.655 100.276 1.00 18.77 ? ? ? ? ? ? 102 VAL I O 1 +ATOM 16699 C CB . VAL I 1 103 ? 20.990 87.230 102.903 1.00 19.40 ? ? ? ? ? ? 102 VAL I CB 1 +ATOM 16700 C CG1 . VAL I 1 103 ? 19.588 87.485 103.439 1.00 14.47 ? ? ? ? ? ? 102 VAL I CG1 1 +ATOM 16701 C CG2 . VAL I 1 103 ? 21.629 86.001 103.584 1.00 16.49 ? ? ? ? ? ? 102 VAL I CG2 1 +ATOM 16702 N N . SER I 1 104 ? 20.511 89.182 100.266 1.00 17.39 ? ? ? ? ? ? 103 SER I N 1 +ATOM 16703 C CA A SER I 1 104 ? 19.709 90.158 99.508 0.50 17.42 ? ? ? ? ? ? 103 SER I CA 1 +ATOM 16704 C CA B SER I 1 104 ? 19.657 90.124 99.547 0.50 18.78 ? ? ? ? ? ? 103 SER I CA 1 +ATOM 16705 C C . SER I 1 104 ? 19.212 89.528 98.203 1.00 18.41 ? ? ? ? ? ? 103 SER I C 1 +ATOM 16706 O O . SER I 1 104 ? 18.045 89.623 97.848 1.00 19.83 ? ? ? ? ? ? 103 SER I O 1 +ATOM 16707 C CB A SER I 1 104 ? 20.526 91.437 99.237 0.50 16.28 ? ? ? ? ? ? 103 SER I CB 1 +ATOM 16708 C CB B SER I 1 104 ? 20.319 91.498 99.403 0.50 18.38 ? ? ? ? ? ? 103 SER I CB 1 +ATOM 16709 O OG A SER I 1 104 ? 19.791 92.404 98.481 0.50 14.12 ? ? ? ? ? ? 103 SER I OG 1 +ATOM 16710 O OG B SER I 1 104 ? 21.474 91.448 98.613 0.50 23.84 ? ? ? ? ? ? 103 SER I OG 1 +ATOM 16711 N N . SER I 1 105 ? 20.117 88.861 97.495 1.00 18.61 ? ? ? ? ? ? 104 SER I N 1 +ATOM 16712 C CA . SER I 1 105 ? 19.812 88.230 96.207 1.00 18.12 ? ? ? ? ? ? 104 SER I CA 1 +ATOM 16713 C C . SER I 1 105 ? 18.822 87.083 96.342 1.00 17.36 ? ? ? ? ? ? 104 SER I C 1 +ATOM 16714 O O . SER I 1 105 ? 17.806 87.058 95.643 1.00 17.84 ? ? ? ? ? ? 104 SER I O 1 +ATOM 16715 C CB . SER I 1 105 ? 21.096 87.728 95.518 1.00 18.45 ? ? ? ? ? ? 104 SER I CB 1 +ATOM 16716 O OG . SER I 1 105 ? 21.876 88.801 95.015 1.00 20.34 ? ? ? ? ? ? 104 SER I OG 1 +ATOM 16717 N N . LEU I 1 106 ? 19.128 86.140 97.221 1.00 17.34 ? ? ? ? ? ? 105 LEU I N 1 +ATOM 16718 C CA . LEU I 1 106 ? 18.282 84.987 97.463 1.00 17.58 ? ? ? ? ? ? 105 LEU I CA 1 +ATOM 16719 C C . LEU I 1 106 ? 16.889 85.418 97.912 1.00 18.78 ? ? ? ? ? ? 105 LEU I C 1 +ATOM 16720 O O . LEU I 1 106 ? 15.898 84.800 97.561 1.00 18.12 ? ? ? ? ? ? 105 LEU I O 1 +ATOM 16721 C CB . LEU I 1 106 ? 18.911 84.033 98.509 1.00 18.42 ? ? ? ? ? ? 105 LEU I CB 1 +ATOM 16722 C CG . LEU I 1 106 ? 20.204 83.273 98.147 1.00 16.91 ? ? ? ? ? ? 105 LEU I CG 1 +ATOM 16723 C CD1 . LEU I 1 106 ? 20.682 82.477 99.384 1.00 11.61 ? ? ? ? ? ? 105 LEU I CD1 1 +ATOM 16724 C CD2 . LEU I 1 106 ? 20.070 82.362 96.920 1.00 16.02 ? ? ? ? ? ? 105 LEU I CD2 1 +ATOM 16725 N N . HIS I 1 107 ? 16.819 86.496 98.680 1.00 19.41 ? ? ? ? ? ? 106 HIS I N 1 +ATOM 16726 C CA . HIS I 1 107 ? 15.527 86.996 99.126 1.00 21.41 ? ? ? ? ? ? 106 HIS I CA 1 +ATOM 16727 C C . HIS I 1 107 ? 14.683 87.536 97.953 1.00 21.04 ? ? ? ? ? ? 106 HIS I C 1 +ATOM 16728 O O . HIS I 1 107 ? 13.503 87.232 97.838 1.00 22.46 ? ? ? ? ? ? 106 HIS I O 1 +ATOM 16729 C CB . HIS I 1 107 ? 15.729 88.046 100.215 1.00 22.02 ? ? ? ? ? ? 106 HIS I CB 1 +ATOM 16730 C CG . HIS I 1 107 ? 14.479 88.405 100.940 1.00 25.19 ? ? ? ? ? ? 106 HIS I CG 1 +ATOM 16731 N ND1 . HIS I 1 107 ? 13.588 89.351 100.467 1.00 21.45 ? ? ? ? ? ? 106 HIS I ND1 1 +ATOM 16732 C CD2 . HIS I 1 107 ? 13.973 87.948 102.108 1.00 19.78 ? ? ? ? ? ? 106 HIS I CD2 1 +ATOM 16733 C CE1 . HIS I 1 107 ? 12.579 89.446 101.310 1.00 26.83 ? ? ? ? ? ? 106 HIS I CE1 1 +ATOM 16734 N NE2 . HIS I 1 107 ? 12.796 88.617 102.321 1.00 24.63 ? ? ? ? ? ? 106 HIS I NE2 1 +ATOM 16735 N N . VAL I 1 108 ? 15.305 88.326 97.082 1.00 21.68 ? ? ? ? ? ? 107 VAL I N 1 +ATOM 16736 C CA . VAL I 1 108 ? 14.637 88.866 95.898 1.00 19.90 ? ? ? ? ? ? 107 VAL I CA 1 +ATOM 16737 C C . VAL I 1 108 ? 14.152 87.760 94.964 1.00 22.10 ? ? ? ? ? ? 107 VAL I C 1 +ATOM 16738 O O . VAL I 1 108 ? 13.157 87.936 94.259 1.00 22.20 ? ? ? ? ? ? 107 VAL I O 1 +ATOM 16739 C CB . VAL I 1 108 ? 15.535 89.889 95.138 1.00 21.44 ? ? ? ? ? ? 107 VAL I CB 1 +ATOM 16740 C CG1 . VAL I 1 108 ? 15.250 89.880 93.640 1.00 19.51 ? ? ? ? ? ? 107 VAL I CG1 1 +ATOM 16741 C CG2 . VAL I 1 108 ? 15.285 91.287 95.691 1.00 19.99 ? ? ? ? ? ? 107 VAL I CG2 1 +ATOM 16742 N N . GLN I 1 109 ? 14.859 86.631 94.984 1.00 21.46 ? ? ? ? ? ? 108 GLN I N 1 +ATOM 16743 C CA . GLN I 1 109 ? 14.521 85.438 94.221 1.00 21.45 ? ? ? ? ? ? 108 GLN I CA 1 +ATOM 16744 C C . GLN I 1 109 ? 13.401 84.607 94.834 1.00 23.12 ? ? ? ? ? ? 108 GLN I C 1 +ATOM 16745 O O . GLN I 1 109 ? 12.950 83.653 94.217 1.00 23.16 ? ? ? ? ? ? 108 GLN I O 1 +ATOM 16746 C CB . GLN I 1 109 ? 15.775 84.576 94.060 1.00 20.68 ? ? ? ? ? ? 108 GLN I CB 1 +ATOM 16747 C CG . GLN I 1 109 ? 16.879 85.279 93.254 1.00 18.58 ? ? ? ? ? ? 108 GLN I CG 1 +ATOM 16748 C CD . GLN I 1 109 ? 18.252 84.692 93.505 1.00 16.90 ? ? ? ? ? ? 108 GLN I CD 1 +ATOM 16749 O OE1 . GLN I 1 109 ? 18.394 83.558 93.988 1.00 19.99 ? ? ? ? ? ? 108 GLN I OE1 1 +ATOM 16750 N NE2 . GLN I 1 109 ? 19.266 85.443 93.161 1.00 16.89 ? ? ? ? ? ? 108 GLN I NE2 1 +ATOM 16751 N N . GLY I 1 110 ? 12.973 84.958 96.053 1.00 22.85 ? ? ? ? ? ? 109 GLY I N 1 +ATOM 16752 C CA . GLY I 1 110 ? 11.843 84.304 96.709 1.00 21.93 ? ? ? ? ? ? 109 GLY I CA 1 +ATOM 16753 C C . GLY I 1 110 ? 12.241 83.225 97.713 1.00 22.35 ? ? ? ? ? ? 109 GLY I C 1 +ATOM 16754 O O . GLY I 1 110 ? 11.382 82.562 98.284 1.00 21.18 ? ? ? ? ? ? 109 GLY I O 1 +ATOM 16755 N N . PHE I 1 111 ? 13.545 83.036 97.937 1.00 21.32 ? ? ? ? ? ? 110 PHE I N 1 +ATOM 16756 C CA . PHE I 1 111 ? 13.988 82.011 98.897 1.00 19.84 ? ? ? ? ? ? 110 PHE I CA 1 +ATOM 16757 C C . PHE I 1 111 ? 13.903 82.559 100.318 1.00 20.26 ? ? ? ? ? ? 110 PHE I C 1 +ATOM 16758 O O . PHE I 1 111 ? 14.118 83.731 100.535 1.00 20.72 ? ? ? ? ? ? 110 PHE I O 1 +ATOM 16759 C CB . PHE I 1 111 ? 15.387 81.519 98.560 1.00 20.80 ? ? ? ? ? ? 110 PHE I CB 1 +ATOM 16760 C CG . PHE I 1 111 ? 15.489 80.920 97.191 1.00 17.78 ? ? ? ? ? ? 110 PHE I CG 1 +ATOM 16761 C CD1 . PHE I 1 111 ? 14.750 79.790 96.866 1.00 19.53 ? ? ? ? ? ? 110 PHE I CD1 1 +ATOM 16762 C CD2 . PHE I 1 111 ? 16.296 81.507 96.220 1.00 19.55 ? ? ? ? ? ? 110 PHE I CD2 1 +ATOM 16763 C CE1 . PHE I 1 111 ? 14.809 79.239 95.611 1.00 21.53 ? ? ? ? ? ? 110 PHE I CE1 1 +ATOM 16764 C CE2 . PHE I 1 111 ? 16.390 80.956 94.940 1.00 19.97 ? ? ? ? ? ? 110 PHE I CE2 1 +ATOM 16765 C CZ . PHE I 1 111 ? 15.638 79.823 94.628 1.00 22.89 ? ? ? ? ? ? 110 PHE I CZ 1 +ATOM 16766 N N . ARG I 1 112 ? 13.582 81.683 101.261 1.00 19.63 ? ? ? ? ? ? 111 ARG I N 1 +ATOM 16767 C CA . ARG I 1 112 ? 13.348 82.060 102.649 1.00 21.61 ? ? ? ? ? ? 111 ARG I CA 1 +ATOM 16768 C C . ARG I 1 112 ? 14.041 81.173 103.698 1.00 20.53 ? ? ? ? ? ? 111 ARG I C 1 +ATOM 16769 O O . ARG I 1 112 ? 13.798 81.317 104.884 1.00 20.62 ? ? ? ? ? ? 111 ARG I O 1 +ATOM 16770 C CB . ARG I 1 112 ? 11.842 82.063 102.920 1.00 20.28 ? ? ? ? ? ? 111 ARG I CB 1 +ATOM 16771 C CG . ARG I 1 112 ? 11.063 83.095 102.148 1.00 22.44 ? ? ? ? ? ? 111 ARG I CG 1 +ATOM 16772 C CD . ARG I 1 112 ? 11.541 84.498 102.459 1.00 22.07 ? ? ? ? ? ? 111 ARG I CD 1 +ATOM 16773 N NE . ARG I 1 112 ? 10.693 85.453 101.777 1.00 21.30 ? ? ? ? ? ? 111 ARG I NE 1 +ATOM 16774 C CZ . ARG I 1 112 ? 10.921 85.996 100.590 1.00 24.15 ? ? ? ? ? ? 111 ARG I CZ 1 +ATOM 16775 N NH1 . ARG I 1 112 ? 12.005 85.702 99.888 1.00 20.85 ? ? ? ? ? ? 111 ARG I NH1 1 +ATOM 16776 N NH2 . ARG I 1 112 ? 10.040 86.866 100.100 1.00 22.93 ? ? ? ? ? ? 111 ARG I NH2 1 +ATOM 16777 N N . LYS I 1 113 ? 14.901 80.259 103.273 1.00 19.99 ? ? ? ? ? ? 112 LYS I N 1 +ATOM 16778 C CA . LYS I 1 113 ? 15.576 79.349 104.202 1.00 20.19 ? ? ? ? ? ? 112 LYS I CA 1 +ATOM 16779 C C . LYS I 1 113 ? 16.986 79.006 103.727 1.00 19.52 ? ? ? ? ? ? 112 LYS I C 1 +ATOM 16780 O O . LYS I 1 113 ? 17.190 78.528 102.594 1.00 18.91 ? ? ? ? ? ? 112 LYS I O 1 +ATOM 16781 C CB . LYS I 1 113 ? 14.775 78.068 104.336 1.00 18.98 ? ? ? ? ? ? 112 LYS I CB 1 +ATOM 16782 C CG . LYS I 1 113 ? 13.313 78.290 104.646 1.00 26.82 ? ? ? ? ? ? 112 LYS I CG 1 +ATOM 16783 C CD . LYS I 1 113 ? 12.517 77.037 104.504 1.00 34.55 ? ? ? ? ? ? 112 LYS I CD 1 +ATOM 16784 C CE . LYS I 1 113 ? 11.070 77.281 104.903 1.00 41.05 ? ? ? ? ? ? 112 LYS I CE 1 +ATOM 16785 N NZ . LYS I 1 113 ? 10.224 76.095 104.591 1.00 43.08 ? ? ? ? ? ? 112 LYS I NZ 1 +ATOM 16786 N N . LEU I 1 114 ? 17.952 79.256 104.591 1.00 18.83 ? ? ? ? ? ? 113 LEU I N 1 +ATOM 16787 C CA . LEU I 1 114 ? 19.387 79.111 104.272 1.00 18.17 ? ? ? ? ? ? 113 LEU I CA 1 +ATOM 16788 C C . LEU I 1 114 ? 20.111 78.411 105.425 1.00 17.88 ? ? ? ? ? ? 113 LEU I C 1 +ATOM 16789 O O . LEU I 1 114 ? 19.895 78.753 106.576 1.00 18.69 ? ? ? ? ? ? 113 LEU I O 1 +ATOM 16790 C CB . LEU I 1 114 ? 20.000 80.490 104.020 1.00 15.77 ? ? ? ? ? ? 113 LEU I CB 1 +ATOM 16791 C CG . LEU I 1 114 ? 21.501 80.675 103.693 1.00 18.30 ? ? ? ? ? ? 113 LEU I CG 1 +ATOM 16792 C CD1 . LEU I 1 114 ? 21.973 79.902 102.411 1.00 15.82 ? ? ? ? ? ? 113 LEU I CD1 1 +ATOM 16793 C CD2 . LEU I 1 114 ? 21.825 82.135 103.511 1.00 17.66 ? ? ? ? ? ? 113 LEU I CD2 1 +ATOM 16794 N N . LEU I 1 115 ? 20.879 77.368 105.115 1.00 17.58 ? ? ? ? ? ? 114 LEU I N 1 +ATOM 16795 C CA . LEU I 1 115 ? 21.833 76.813 106.046 1.00 17.68 ? ? ? ? ? ? 114 LEU I CA 1 +ATOM 16796 C C . LEU I 1 115 ? 23.222 77.175 105.564 1.00 17.04 ? ? ? ? ? ? 114 LEU I C 1 +ATOM 16797 O O . LEU I 1 115 ? 23.556 76.887 104.437 1.00 18.73 ? ? ? ? ? ? 114 LEU I O 1 +ATOM 16798 C CB . LEU I 1 115 ? 21.716 75.270 106.179 1.00 17.26 ? ? ? ? ? ? 114 LEU I CB 1 +ATOM 16799 C CG . LEU I 1 115 ? 22.822 74.639 107.034 1.00 16.41 ? ? ? ? ? ? 114 LEU I CG 1 +ATOM 16800 C CD1 . LEU I 1 115 ? 22.624 74.821 108.597 1.00 9.99 ? ? ? ? ? ? 114 LEU I CD1 1 +ATOM 16801 C CD2 . LEU I 1 115 ? 22.942 73.171 106.692 1.00 16.48 ? ? ? ? ? ? 114 LEU I CD2 1 +ATOM 16802 N N . ILE I 1 116 ? 24.005 77.831 106.411 1.00 17.41 ? ? ? ? ? ? 115 ILE I N 1 +ATOM 16803 C CA . ILE I 1 116 ? 25.442 78.000 106.202 1.00 17.55 ? ? ? ? ? ? 115 ILE I CA 1 +ATOM 16804 C C . ILE I 1 116 ? 26.083 76.754 106.811 1.00 18.33 ? ? ? ? ? ? 115 ILE I C 1 +ATOM 16805 O O . ILE I 1 116 ? 25.916 76.496 108.019 1.00 18.22 ? ? ? ? ? ? 115 ILE I O 1 +ATOM 16806 C CB . ILE I 1 116 ? 26.014 79.268 106.862 1.00 17.55 ? ? ? ? ? ? 115 ILE I CB 1 +ATOM 16807 C CG1 . ILE I 1 116 ? 25.169 80.494 106.448 1.00 21.07 ? ? ? ? ? ? 115 ILE I CG1 1 +ATOM 16808 C CG2 . ILE I 1 116 ? 27.514 79.426 106.503 1.00 16.05 ? ? ? ? ? ? 115 ILE I CG2 1 +ATOM 16809 C CD1 . ILE I 1 116 ? 25.476 81.788 107.229 1.00 19.13 ? ? ? ? ? ? 115 ILE I CD1 1 +ATOM 16810 N N . LEU I 1 117 ? 26.755 75.967 105.958 1.00 17.79 ? ? ? ? ? ? 116 LEU I N 1 +ATOM 16811 C CA . LEU I 1 117 ? 27.535 74.802 106.368 1.00 17.00 ? ? ? ? ? ? 116 LEU I CA 1 +ATOM 16812 C C . LEU I 1 117 ? 29.018 75.106 106.254 1.00 17.90 ? ? ? ? ? ? 116 LEU I C 1 +ATOM 16813 O O . LEU I 1 117 ? 29.609 75.067 105.161 1.00 17.69 ? ? ? ? ? ? 116 LEU I O 1 +ATOM 16814 C CB . LEU I 1 117 ? 27.206 73.582 105.495 1.00 18.07 ? ? ? ? ? ? 116 LEU I CB 1 +ATOM 16815 C CG . LEU I 1 117 ? 27.761 72.258 105.995 1.00 17.38 ? ? ? ? ? ? 116 LEU I CG 1 +ATOM 16816 C CD1 . LEU I 1 117 ? 27.221 71.897 107.444 1.00 14.47 ? ? ? ? ? ? 116 LEU I CD1 1 +ATOM 16817 C CD2 . LEU I 1 117 ? 27.484 71.142 104.926 1.00 16.44 ? ? ? ? ? ? 116 LEU I CD2 1 +ATOM 16818 N N . SER I 1 118 ? 29.634 75.350 107.401 1.00 18.13 ? ? ? ? ? ? 117 SER I N 1 +ATOM 16819 C CA . SER I 1 118 ? 30.999 75.758 107.449 1.00 18.60 ? ? ? ? ? ? 117 SER I CA 1 +ATOM 16820 C C . SER I 1 118 ? 31.947 74.572 107.512 1.00 20.40 ? ? ? ? ? ? 117 SER I C 1 +ATOM 16821 O O . SER I 1 118 ? 31.665 73.574 108.157 1.00 20.25 ? ? ? ? ? ? 117 SER I O 1 +ATOM 16822 C CB . SER I 1 118 ? 31.224 76.668 108.665 1.00 16.51 ? ? ? ? ? ? 117 SER I CB 1 +ATOM 16823 O OG . SER I 1 118 ? 32.606 76.984 108.814 1.00 20.69 ? ? ? ? ? ? 117 SER I OG 1 +ATOM 16824 N N . GLY I 1 119 ? 33.096 74.743 106.862 1.00 20.59 ? ? ? ? ? ? 118 GLY I N 1 +ATOM 16825 C CA . GLY I 1 119 ? 34.202 73.826 106.965 1.00 20.69 ? ? ? ? ? ? 118 GLY I CA 1 +ATOM 16826 C C . GLY I 1 119 ? 35.381 74.344 107.780 1.00 20.35 ? ? ? ? ? ? 118 GLY I C 1 +ATOM 16827 O O . GLY I 1 119 ? 36.389 73.648 107.901 1.00 20.91 ? ? ? ? ? ? 118 GLY I O 1 +ATOM 16828 N N . HIS I 1 120 ? 35.222 75.528 108.394 1.00 20.00 ? ? ? ? ? ? 119 HIS I N 1 +ATOM 16829 C CA . HIS I 1 120 ? 36.313 76.207 109.069 1.00 21.06 ? ? ? ? ? ? 119 HIS I CA 1 +ATOM 16830 C C . HIS I 1 120 ? 35.853 76.742 110.403 1.00 22.49 ? ? ? ? ? ? 119 HIS I C 1 +ATOM 16831 O O . HIS I 1 120 ? 35.003 77.634 110.457 1.00 23.64 ? ? ? ? ? ? 119 HIS I O 1 +ATOM 16832 C CB . HIS I 1 120 ? 36.832 77.359 108.226 1.00 20.91 ? ? ? ? ? ? 119 HIS I CB 1 +ATOM 16833 C CG . HIS I 1 120 ? 37.914 78.179 108.885 1.00 19.03 ? ? ? ? ? ? 119 HIS I CG 1 +ATOM 16834 N ND1 . HIS I 1 120 ? 39.093 77.634 109.331 1.00 21.69 ? ? ? ? ? ? 119 HIS I ND1 1 +ATOM 16835 C CD2 . HIS I 1 120 ? 38.024 79.518 109.095 1.00 21.64 ? ? ? ? ? ? 119 HIS I CD2 1 +ATOM 16836 C CE1 . HIS I 1 120 ? 39.874 78.588 109.814 1.00 21.68 ? ? ? ? ? ? 119 HIS I CE1 1 +ATOM 16837 N NE2 . HIS I 1 120 ? 39.245 79.742 109.691 1.00 20.33 ? ? ? ? ? ? 119 HIS I NE2 1 +ATOM 16838 N N . GLY I 1 121 ? 36.472 76.212 111.464 1.00 22.96 ? ? ? ? ? ? 120 GLY I N 1 +ATOM 16839 C CA . GLY I 1 121 ? 36.140 76.520 112.844 1.00 23.16 ? ? ? ? ? ? 120 GLY I CA 1 +ATOM 16840 C C . GLY I 1 121 ? 36.382 77.961 113.208 1.00 23.41 ? ? ? ? ? ? 120 GLY I C 1 +ATOM 16841 O O . GLY I 1 121 ? 35.700 78.490 114.072 1.00 24.73 ? ? ? ? ? ? 120 GLY I O 1 +ATOM 16842 N N . GLY I 1 122 ? 37.309 78.605 112.516 1.00 23.28 ? ? ? ? ? ? 121 GLY I N 1 +ATOM 16843 C CA . GLY I 1 122 ? 37.515 80.047 112.647 1.00 22.82 ? ? ? ? ? ? 121 GLY I CA 1 +ATOM 16844 C C . GLY I 1 122 ? 36.358 80.914 112.236 1.00 22.51 ? ? ? ? ? ? 121 GLY I C 1 +ATOM 16845 O O . GLY I 1 122 ? 36.316 82.091 112.590 1.00 23.08 ? ? ? ? ? ? 121 GLY I O 1 +ATOM 16846 N N . ASN I 1 123 ? 35.428 80.364 111.453 1.00 22.75 ? ? ? ? ? ? 122 ASN I N 1 +ATOM 16847 C CA . ASN I 1 123 ? 34.270 81.134 110.965 1.00 21.58 ? ? ? ? ? ? 122 ASN I CA 1 +ATOM 16848 C C . ASN I 1 123 ? 33.191 81.130 112.052 1.00 22.45 ? ? ? ? ? ? 122 ASN I C 1 +ATOM 16849 O O . ASN I 1 123 ? 32.909 80.090 112.675 1.00 21.59 ? ? ? ? ? ? 122 ASN I O 1 +ATOM 16850 C CB . ASN I 1 123 ? 33.688 80.556 109.651 1.00 21.74 ? ? ? ? ? ? 122 ASN I CB 1 +ATOM 16851 C CG . ASN I 1 123 ? 34.658 80.613 108.451 1.00 19.52 ? ? ? ? ? ? 122 ASN I CG 1 +ATOM 16852 O OD1 . ASN I 1 123 ? 35.531 81.484 108.348 1.00 16.72 ? ? ? ? ? ? 122 ASN I OD1 1 +ATOM 16853 N ND2 . ASN I 1 123 ? 34.462 79.703 107.521 1.00 16.43 ? ? ? ? ? ? 122 ASN I ND2 1 +ATOM 16854 N N . ASN I 1 124 ? 32.607 82.297 112.289 1.00 21.22 ? ? ? ? ? ? 123 ASN I N 1 +ATOM 16855 C CA . ASN I 1 124 ? 31.570 82.460 113.305 1.00 22.58 ? ? ? ? ? ? 123 ASN I CA 1 +ATOM 16856 C C . ASN I 1 124 ? 30.489 83.289 112.673 1.00 20.71 ? ? ? ? ? ? 123 ASN I C 1 +ATOM 16857 O O . ASN I 1 124 ? 30.766 84.363 112.159 1.00 21.34 ? ? ? ? ? ? 123 ASN I O 1 +ATOM 16858 C CB . ASN I 1 124 ? 32.151 83.174 114.530 1.00 25.68 ? ? ? ? ? ? 123 ASN I CB 1 +ATOM 16859 C CG . ASN I 1 124 ? 32.989 82.250 115.396 1.00 30.73 ? ? ? ? ? ? 123 ASN I CG 1 +ATOM 16860 O OD1 . ASN I 1 124 ? 32.453 81.355 116.062 1.00 38.22 ? ? ? ? ? ? 123 ASN I OD1 1 +ATOM 16861 N ND2 . ASN I 1 124 ? 34.312 82.455 115.386 1.00 32.31 ? ? ? ? ? ? 123 ASN I ND2 1 +ATOM 16862 N N . PHE I 1 125 ? 29.258 82.788 112.676 1.00 20.10 ? ? ? ? ? ? 124 PHE I N 1 +ATOM 16863 C CA . PHE I 1 125 ? 28.177 83.440 111.942 1.00 18.81 ? ? ? ? ? ? 124 PHE I CA 1 +ATOM 16864 C C . PHE I 1 125 ? 27.039 83.954 112.818 1.00 18.88 ? ? ? ? ? ? 124 PHE I C 1 +ATOM 16865 O O . PHE I 1 125 ? 26.092 84.491 112.304 1.00 19.29 ? ? ? ? ? ? 124 PHE I O 1 +ATOM 16866 C CB . PHE I 1 125 ? 27.640 82.495 110.845 1.00 17.77 ? ? ? ? ? ? 124 PHE I CB 1 +ATOM 16867 C CG . PHE I 1 125 ? 28.706 82.096 109.820 1.00 19.53 ? ? ? ? ? ? 124 PHE I CG 1 +ATOM 16868 C CD1 . PHE I 1 125 ? 29.074 82.965 108.799 1.00 19.19 ? ? ? ? ? ? 124 PHE I CD1 1 +ATOM 16869 C CD2 . PHE I 1 125 ? 29.369 80.867 109.924 1.00 18.75 ? ? ? ? ? ? 124 PHE I CD2 1 +ATOM 16870 C CE1 . PHE I 1 125 ? 30.095 82.621 107.872 1.00 14.97 ? ? ? ? ? ? 124 PHE I CE1 1 +ATOM 16871 C CE2 . PHE I 1 125 ? 30.329 80.501 109.019 1.00 15.34 ? ? ? ? ? ? 124 PHE I CE2 1 +ATOM 16872 C CZ . PHE I 1 125 ? 30.723 81.397 107.993 1.00 17.02 ? ? ? ? ? ? 124 PHE I CZ 1 +ATOM 16873 N N . LYS I 1 126 ? 27.127 83.797 114.133 1.00 19.09 ? ? ? ? ? ? 125 LYS I N 1 +ATOM 16874 C CA . LYS I 1 126 ? 26.005 84.133 114.995 1.00 19.18 ? ? ? ? ? ? 125 LYS I CA 1 +ATOM 16875 C C . LYS I 1 126 ? 25.649 85.635 114.970 1.00 18.61 ? ? ? ? ? ? 125 LYS I C 1 +ATOM 16876 O O . LYS I 1 126 ? 24.485 85.999 114.901 1.00 20.26 ? ? ? ? ? ? 125 LYS I O 1 +ATOM 16877 C CB . LYS I 1 126 ? 26.260 83.640 116.414 1.00 20.03 ? ? ? ? ? ? 125 LYS I CB 1 +ATOM 16878 C CG . LYS I 1 126 ? 26.244 82.155 116.525 1.00 20.35 ? ? ? ? ? ? 125 LYS I CG 1 +ATOM 16879 C CD . LYS I 1 126 ? 26.412 81.658 117.945 1.00 22.42 ? ? ? ? ? ? 125 LYS I CD 1 +ATOM 16880 C CE . LYS I 1 126 ? 26.327 80.118 117.957 1.00 24.52 ? ? ? ? ? ? 125 LYS I CE 1 +ATOM 16881 N NZ . LYS I 1 126 ? 26.407 79.612 119.351 1.00 31.75 ? ? ? ? ? ? 125 LYS I NZ 1 +ATOM 16882 N N . GLY I 1 127 ? 26.653 86.487 115.053 1.00 17.87 ? ? ? ? ? ? 126 GLY I N 1 +ATOM 16883 C CA . GLY I 1 127 ? 26.477 87.954 114.952 1.00 18.23 ? ? ? ? ? ? 126 GLY I CA 1 +ATOM 16884 C C . GLY I 1 127 ? 25.768 88.394 113.682 1.00 19.37 ? ? ? ? ? ? 126 GLY I C 1 +ATOM 16885 O O . GLY I 1 127 ? 24.764 89.127 113.729 1.00 17.70 ? ? ? ? ? ? 126 GLY I O 1 +ATOM 16886 N N . MSE I 1 128 ? 26.238 87.851 112.562 1.00 19.67 ? ? ? ? ? ? 127 MSE I N 1 +ATOM 16887 C CA . MSE I 1 128 ? 25.693 88.134 111.245 1.00 19.70 ? ? ? ? ? ? 127 MSE I CA 1 +ATOM 16888 C C . MSE I 1 128 ? 24.269 87.668 111.155 1.00 18.33 ? ? ? ? ? ? 127 MSE I C 1 +ATOM 16889 O O . MSE I 1 128 ? 23.421 88.352 110.607 1.00 16.82 ? ? ? ? ? ? 127 MSE I O 1 +ATOM 16890 C CB . MSE I 1 128 ? 26.476 87.387 110.146 1.00 19.41 ? ? ? ? ? ? 127 MSE I CB 1 +ATOM 16891 C CG . MSE I 1 128 ? 27.957 87.726 110.067 1.00 22.30 ? ? ? ? ? ? 127 MSE I CG 1 +ATOM 16892 SE SE . MSE I 1 128 ? 28.901 86.771 108.635 0.75 19.56 ? ? ? ? ? ? 127 MSE I SE 1 +ATOM 16893 C CE . MSE I 1 128 ? 30.796 86.798 109.428 1.00 14.40 ? ? ? ? ? ? 127 MSE I CE 1 +ATOM 16894 N N . ILE I 1 129 ? 24.036 86.453 111.618 1.00 18.40 ? ? ? ? ? ? 128 ILE I N 1 +ATOM 16895 C CA . ILE I 1 129 ? 22.689 85.900 111.587 1.00 18.51 ? ? ? ? ? ? 128 ILE I CA 1 +ATOM 16896 C C . ILE I 1 129 ? 21.730 86.761 112.400 1.00 17.97 ? ? ? ? ? ? 128 ILE I C 1 +ATOM 16897 O O . ILE I 1 129 ? 20.640 87.048 111.938 1.00 18.51 ? ? ? ? ? ? 128 ILE I O 1 +ATOM 16898 C CB . ILE I 1 129 ? 22.654 84.457 112.042 1.00 18.11 ? ? ? ? ? ? 128 ILE I CB 1 +ATOM 16899 C CG1 . ILE I 1 129 ? 23.188 83.552 110.929 1.00 19.89 ? ? ? ? ? ? 128 ILE I CG1 1 +ATOM 16900 C CG2 . ILE I 1 129 ? 21.247 84.077 112.410 1.00 17.66 ? ? ? ? ? ? 128 ILE I CG2 1 +ATOM 16901 C CD1 . ILE I 1 129 ? 23.625 82.200 111.419 1.00 16.42 ? ? ? ? ? ? 128 ILE I CD1 1 +ATOM 16902 N N . ARG I 1 130 ? 22.147 87.201 113.586 1.00 18.25 ? ? ? ? ? ? 129 ARG I N 1 +ATOM 16903 C CA . ARG I 1 130 ? 21.305 88.090 114.409 1.00 18.58 ? ? ? ? ? ? 129 ARG I CA 1 +ATOM 16904 C C . ARG I 1 130 ? 20.974 89.399 113.740 1.00 18.64 ? ? ? ? ? ? 129 ARG I C 1 +ATOM 16905 O O . ARG I 1 130 ? 19.829 89.862 113.792 1.00 20.08 ? ? ? ? ? ? 129 ARG I O 1 +ATOM 16906 C CB . ARG I 1 130 ? 21.958 88.389 115.755 1.00 19.15 ? ? ? ? ? ? 129 ARG I CB 1 +ATOM 16907 C CG . ARG I 1 130 ? 21.901 87.232 116.734 1.00 19.14 ? ? ? ? ? ? 129 ARG I CG 1 +ATOM 16908 C CD . ARG I 1 130 ? 22.482 87.635 118.080 1.00 20.25 ? ? ? ? ? ? 129 ARG I CD 1 +ATOM 16909 N NE . ARG I 1 130 ? 22.122 86.673 119.113 1.00 20.47 ? ? ? ? ? ? 129 ARG I NE 1 +ATOM 16910 C CZ . ARG I 1 130 ? 22.854 85.631 119.495 1.00 21.96 ? ? ? ? ? ? 129 ARG I CZ 1 +ATOM 16911 N NH1 . ARG I 1 130 ? 24.056 85.395 118.975 1.00 27.42 ? ? ? ? ? ? 129 ARG I NH1 1 +ATOM 16912 N NH2 . ARG I 1 130 ? 22.380 84.813 120.431 1.00 25.67 ? ? ? ? ? ? 129 ARG I NH2 1 +ATOM 16913 N N . ASP I 1 131 ? 21.973 90.005 113.127 1.00 18.74 ? ? ? ? ? ? 130 ASP I N 1 +ATOM 16914 C CA . ASP I 1 131 ? 21.792 91.285 112.432 1.00 19.07 ? ? ? ? ? ? 130 ASP I CA 1 +ATOM 16915 C C . ASP I 1 131 ? 20.907 91.133 111.199 1.00 19.55 ? ? ? ? ? ? 130 ASP I C 1 +ATOM 16916 O O . ASP I 1 131 ? 20.042 91.983 110.953 1.00 20.59 ? ? ? ? ? ? 130 ASP I O 1 +ATOM 16917 C CB . ASP I 1 131 ? 23.148 91.917 112.088 1.00 21.63 ? ? ? ? ? ? 130 ASP I CB 1 +ATOM 16918 C CG . ASP I 1 131 ? 23.908 92.416 113.321 1.00 24.22 ? ? ? ? ? ? 130 ASP I CG 1 +ATOM 16919 O OD1 . ASP I 1 131 ? 23.300 92.531 114.425 1.00 25.96 ? ? ? ? ? ? 130 ASP I OD1 1 +ATOM 16920 O OD2 . ASP I 1 131 ? 25.130 92.703 113.177 1.00 26.02 ? ? ? ? ? ? 130 ASP I OD2 1 +ATOM 16921 N N . LEU I 1 132 ? 21.069 90.040 110.449 1.00 19.11 ? ? ? ? ? ? 131 LEU I N 1 +ATOM 16922 C CA . LEU I 1 132 ? 20.181 89.745 109.314 1.00 19.99 ? ? ? ? ? ? 131 LEU I CA 1 +ATOM 16923 C C . LEU I 1 132 ? 18.716 89.402 109.669 1.00 20.39 ? ? ? ? ? ? 131 LEU I C 1 +ATOM 16924 O O . LEU I 1 132 ? 17.817 89.612 108.875 1.00 20.97 ? ? ? ? ? ? 131 LEU I O 1 +ATOM 16925 C CB . LEU I 1 132 ? 20.802 88.651 108.422 1.00 20.05 ? ? ? ? ? ? 131 LEU I CB 1 +ATOM 16926 C CG . LEU I 1 132 ? 21.935 89.175 107.547 1.00 19.96 ? ? ? ? ? ? 131 LEU I CG 1 +ATOM 16927 C CD1 . LEU I 1 132 ? 22.680 88.045 106.940 1.00 24.14 ? ? ? ? ? ? 131 LEU I CD1 1 +ATOM 16928 C CD2 . LEU I 1 132 ? 21.394 90.155 106.475 1.00 17.05 ? ? ? ? ? ? 131 LEU I CD2 1 +ATOM 16929 N N . ALA I 1 133 ? 18.515 88.861 110.862 1.00 21.22 ? ? ? ? ? ? 132 ALA I N 1 +ATOM 16930 C CA . ALA I 1 133 ? 17.211 88.507 111.360 1.00 22.10 ? ? ? ? ? ? 132 ALA I CA 1 +ATOM 16931 C C . ALA I 1 133 ? 16.323 89.726 111.522 1.00 22.14 ? ? ? ? ? ? 132 ALA I C 1 +ATOM 16932 O O . ALA I 1 133 ? 15.130 89.637 111.285 1.00 24.12 ? ? ? ? ? ? 132 ALA I O 1 +ATOM 16933 C CB . ALA I 1 133 ? 17.321 87.692 112.679 1.00 19.62 ? ? ? ? ? ? 132 ALA I CB 1 +ATOM 16934 N N . PHE I 1 134 ? 16.900 90.869 111.846 1.00 24.13 ? ? ? ? ? ? 133 PHE I N 1 +ATOM 16935 C CA . PHE I 1 134 ? 16.152 92.130 111.885 1.00 25.30 ? ? ? ? ? ? 133 PHE I CA 1 +ATOM 16936 C C . PHE I 1 134 ? 15.975 92.800 110.512 1.00 26.39 ? ? ? ? ? ? 133 PHE I C 1 +ATOM 16937 O O . PHE I 1 134 ? 14.977 93.477 110.267 1.00 27.80 ? ? ? ? ? ? 133 PHE I O 1 +ATOM 16938 C CB . PHE I 1 134 ? 16.819 93.088 112.878 1.00 26.12 ? ? ? ? ? ? 133 PHE I CB 1 +ATOM 16939 C CG . PHE I 1 134 ? 16.816 92.569 114.297 1.00 27.28 ? ? ? ? ? ? 133 PHE I CG 1 +ATOM 16940 C CD1 . PHE I 1 134 ? 15.606 92.273 114.940 1.00 29.49 ? ? ? ? ? ? 133 PHE I CD1 1 +ATOM 16941 C CD2 . PHE I 1 134 ? 17.994 92.335 114.965 1.00 25.25 ? ? ? ? ? ? 133 PHE I CD2 1 +ATOM 16942 C CE1 . PHE I 1 134 ? 15.583 91.780 116.253 1.00 27.67 ? ? ? ? ? ? 133 PHE I CE1 1 +ATOM 16943 C CE2 . PHE I 1 134 ? 17.988 91.841 116.268 1.00 27.47 ? ? ? ? ? ? 133 PHE I CE2 1 +ATOM 16944 C CZ . PHE I 1 134 ? 16.772 91.574 116.924 1.00 25.69 ? ? ? ? ? ? 133 PHE I CZ 1 +ATOM 16945 N N . GLU I 1 135 ? 16.947 92.635 109.618 1.00 27.20 ? ? ? ? ? ? 134 GLU I N 1 +ATOM 16946 C CA . GLU I 1 135 ? 16.820 93.157 108.262 1.00 29.76 ? ? ? ? ? ? 134 GLU I CA 1 +ATOM 16947 C C . GLU I 1 135 ? 15.825 92.338 107.450 1.00 26.16 ? ? ? ? ? ? 134 GLU I C 1 +ATOM 16948 O O . GLU I 1 135 ? 15.091 92.896 106.644 1.00 25.06 ? ? ? ? ? ? 134 GLU I O 1 +ATOM 16949 C CB . GLU I 1 135 ? 18.154 93.095 107.522 1.00 28.92 ? ? ? ? ? ? 134 GLU I CB 1 +ATOM 16950 C CG . GLU I 1 135 ? 19.190 94.111 107.897 1.00 41.47 ? ? ? ? ? ? 134 GLU I CG 1 +ATOM 16951 C CD . GLU I 1 135 ? 20.318 94.152 106.852 1.00 42.50 ? ? ? ? ? ? 134 GLU I CD 1 +ATOM 16952 O OE1 . GLU I 1 135 ? 20.039 94.627 105.715 1.00 63.48 ? ? ? ? ? ? 134 GLU I OE1 1 +ATOM 16953 O OE2 . GLU I 1 135 ? 21.453 93.694 107.157 1.00 52.55 ? ? ? ? ? ? 134 GLU I OE2 1 +ATOM 16954 N N . TYR I 1 136 ? 15.857 91.009 107.630 1.00 23.60 ? ? ? ? ? ? 135 TYR I N 1 +ATOM 16955 C CA . TYR I 1 136 ? 15.037 90.072 106.839 1.00 22.26 ? ? ? ? ? ? 135 TYR I CA 1 +ATOM 16956 C C . TYR I 1 136 ? 14.297 89.119 107.764 1.00 22.97 ? ? ? ? ? ? 135 TYR I C 1 +ATOM 16957 O O . TYR I 1 136 ? 14.644 87.960 107.852 1.00 20.43 ? ? ? ? ? ? 135 TYR I O 1 +ATOM 16958 C CB . TYR I 1 136 ? 15.918 89.247 105.880 1.00 21.17 ? ? ? ? ? ? 135 TYR I CB 1 +ATOM 16959 C CG . TYR I 1 136 ? 16.671 90.055 104.877 1.00 20.89 ? ? ? ? ? ? 135 TYR I CG 1 +ATOM 16960 C CD1 . TYR I 1 136 ? 16.087 90.432 103.692 1.00 22.83 ? ? ? ? ? ? 135 TYR I CD1 1 +ATOM 16961 C CD2 . TYR I 1 136 ? 17.993 90.403 105.089 1.00 21.10 ? ? ? ? ? ? 135 TYR I CD2 1 +ATOM 16962 C CE1 . TYR I 1 136 ? 16.765 91.158 102.777 1.00 22.90 ? ? ? ? ? ? 135 TYR I CE1 1 +ATOM 16963 C CE2 . TYR I 1 136 ? 18.674 91.142 104.186 1.00 20.63 ? ? ? ? ? ? 135 TYR I CE2 1 +ATOM 16964 C CZ . TYR I 1 136 ? 18.051 91.522 103.017 1.00 20.32 ? ? ? ? ? ? 135 TYR I CZ 1 +ATOM 16965 O OH . TYR I 1 136 ? 18.737 92.270 102.082 1.00 22.14 ? ? ? ? ? ? 135 TYR I OH 1 +ATOM 16966 N N . PRO I 1 137 ? 13.253 89.609 108.448 1.00 24.54 ? ? ? ? ? ? 136 PRO I N 1 +ATOM 16967 C CA . PRO I 1 137 ? 12.590 88.804 109.483 1.00 25.78 ? ? ? ? ? ? 136 PRO I CA 1 +ATOM 16968 C C . PRO I 1 137 ? 11.898 87.559 108.995 1.00 25.67 ? ? ? ? ? ? 136 PRO I C 1 +ATOM 16969 O O . PRO I 1 137 ? 11.683 86.655 109.786 1.00 26.91 ? ? ? ? ? ? 136 PRO I O 1 +ATOM 16970 C CB . PRO I 1 137 ? 11.612 89.775 110.133 1.00 26.14 ? ? ? ? ? ? 136 PRO I CB 1 +ATOM 16971 C CG . PRO I 1 137 ? 11.459 90.867 109.151 1.00 29.11 ? ? ? ? ? ? 136 PRO I CG 1 +ATOM 16972 C CD . PRO I 1 137 ? 12.680 90.945 108.330 1.00 25.76 ? ? ? ? ? ? 136 PRO I CD 1 +ATOM 16973 N N . ASP I 1 138 ? 11.632 87.476 107.696 1.00 25.64 ? ? ? ? ? ? 137 ASP I N 1 +ATOM 16974 C CA . ASP I 1 138 ? 11.000 86.302 107.081 1.00 25.86 ? ? ? ? ? ? 137 ASP I CA 1 +ATOM 16975 C C . ASP I 1 138 ? 12.000 85.320 106.454 1.00 24.19 ? ? ? ? ? ? 137 ASP I C 1 +ATOM 16976 O O . ASP I 1 138 ? 11.608 84.390 105.780 1.00 23.96 ? ? ? ? ? ? 137 ASP I O 1 +ATOM 16977 C CB . ASP I 1 138 ? 9.988 86.754 106.007 1.00 27.34 ? ? ? ? ? ? 137 ASP I CB 1 +ATOM 16978 C CG . ASP I 1 138 ? 10.626 87.602 104.885 1.00 32.33 ? ? ? ? ? ? 137 ASP I CG 1 +ATOM 16979 O OD1 . ASP I 1 138 ? 11.764 88.142 105.035 1.00 31.60 ? ? ? ? ? ? 137 ASP I OD1 1 +ATOM 16980 O OD2 . ASP I 1 138 ? 9.949 87.751 103.849 1.00 43.21 ? ? ? ? ? ? 137 ASP I OD2 1 +ATOM 16981 N N . PHE I 1 139 ? 13.281 85.506 106.698 1.00 22.88 ? ? ? ? ? ? 138 PHE I N 1 +ATOM 16982 C CA . PHE I 1 139 ? 14.321 84.722 106.063 1.00 21.19 ? ? ? ? ? ? 138 PHE I CA 1 +ATOM 16983 C C . PHE I 1 139 ? 15.049 83.997 107.194 1.00 21.24 ? ? ? ? ? ? 138 PHE I C 1 +ATOM 16984 O O . PHE I 1 139 ? 15.659 84.636 108.098 1.00 21.69 ? ? ? ? ? ? 138 PHE I O 1 +ATOM 16985 C CB . PHE I 1 139 ? 15.250 85.649 105.262 1.00 23.19 ? ? ? ? ? ? 138 PHE I CB 1 +ATOM 16986 C CG . PHE I 1 139 ? 16.197 84.920 104.320 1.00 22.69 ? ? ? ? ? ? 138 PHE I CG 1 +ATOM 16987 C CD1 . PHE I 1 139 ? 17.311 84.259 104.805 1.00 30.43 ? ? ? ? ? ? 138 PHE I CD1 1 +ATOM 16988 C CD2 . PHE I 1 139 ? 15.975 84.898 102.958 1.00 22.29 ? ? ? ? ? ? 138 PHE I CD2 1 +ATOM 16989 C CE1 . PHE I 1 139 ? 18.163 83.584 103.950 1.00 29.44 ? ? ? ? ? ? 138 PHE I CE1 1 +ATOM 16990 C CE2 . PHE I 1 139 ? 16.838 84.221 102.101 1.00 22.68 ? ? ? ? ? ? 138 PHE I CE2 1 +ATOM 16991 C CZ . PHE I 1 139 ? 17.902 83.556 102.590 1.00 24.31 ? ? ? ? ? ? 138 PHE I CZ 1 +ATOM 16992 N N . LEU I 1 140 ? 14.931 82.671 107.191 1.00 21.19 ? ? ? ? ? ? 139 LEU I N 1 +ATOM 16993 C CA . LEU I 1 140 ? 15.570 81.811 108.197 1.00 21.52 ? ? ? ? ? ? 139 LEU I CA 1 +ATOM 16994 C C . LEU I 1 140 ? 17.005 81.463 107.810 1.00 21.13 ? ? ? ? ? ? 139 LEU I C 1 +ATOM 16995 O O . LEU I 1 140 ? 17.238 80.910 106.749 1.00 21.53 ? ? ? ? ? ? 139 LEU I O 1 +ATOM 16996 C CB . LEU I 1 140 ? 14.779 80.514 108.369 1.00 22.43 ? ? ? ? ? ? 139 LEU I CB 1 +ATOM 16997 C CG . LEU I 1 140 ? 15.312 79.462 109.343 1.00 22.30 ? ? ? ? ? ? 139 LEU I CG 1 +ATOM 16998 C CD1 . LEU I 1 140 ? 15.215 80.012 110.763 1.00 19.67 ? ? ? ? ? ? 139 LEU I CD1 1 +ATOM 16999 C CD2 . LEU I 1 140 ? 14.532 78.183 109.205 1.00 21.28 ? ? ? ? ? ? 139 LEU I CD2 1 +ATOM 17000 N N . ILE I 1 141 ? 17.957 81.761 108.702 1.00 19.94 ? ? ? ? ? ? 140 ILE I N 1 +ATOM 17001 C CA . ILE I 1 141 ? 19.336 81.350 108.522 1.00 19.03 ? ? ? ? ? ? 140 ILE I CA 1 +ATOM 17002 C C . ILE I 1 141 ? 19.798 80.481 109.674 1.00 18.97 ? ? ? ? ? ? 140 ILE I C 1 +ATOM 17003 O O . ILE I 1 141 ? 19.716 80.889 110.826 1.00 19.09 ? ? ? ? ? ? 140 ILE I O 1 +ATOM 17004 C CB . ILE I 1 141 ? 20.251 82.564 108.368 1.00 18.65 ? ? ? ? ? ? 140 ILE I CB 1 +ATOM 17005 C CG1 . ILE I 1 141 ? 19.681 83.513 107.319 1.00 20.86 ? ? ? ? ? ? 140 ILE I CG1 1 +ATOM 17006 C CG2 . ILE I 1 141 ? 21.638 82.131 107.929 1.00 15.79 ? ? ? ? ? ? 140 ILE I CG2 1 +ATOM 17007 C CD1 . ILE I 1 141 ? 20.603 84.748 107.046 1.00 18.01 ? ? ? ? ? ? 140 ILE I CD1 1 +ATOM 17008 N N . ALA I 1 142 ? 20.265 79.266 109.364 1.00 19.14 ? ? ? ? ? ? 141 ALA I N 1 +ATOM 17009 C CA . ALA I 1 142 ? 20.943 78.390 110.326 1.00 17.99 ? ? ? ? ? ? 141 ALA I CA 1 +ATOM 17010 C C . ALA I 1 142 ? 22.437 78.290 109.995 1.00 18.26 ? ? ? ? ? ? 141 ALA I C 1 +ATOM 17011 O O . ALA I 1 142 ? 22.845 78.492 108.848 1.00 18.63 ? ? ? ? ? ? 141 ALA I O 1 +ATOM 17012 C CB . ALA I 1 142 ? 20.296 77.000 110.337 1.00 15.34 ? ? ? ? ? ? 141 ALA I CB 1 +ATOM 17013 N N . ALA I 1 143 ? 23.252 78.000 111.006 1.00 17.26 ? ? ? ? ? ? 142 ALA I N 1 +ATOM 17014 C CA . ALA I 1 143 ? 24.672 77.739 110.815 1.00 18.13 ? ? ? ? ? ? 142 ALA I CA 1 +ATOM 17015 C C . ALA I 1 143 ? 25.061 76.472 111.552 1.00 19.07 ? ? ? ? ? ? 142 ALA I C 1 +ATOM 17016 O O . ALA I 1 143 ? 24.534 76.177 112.623 1.00 19.17 ? ? ? ? ? ? 142 ALA I O 1 +ATOM 17017 C CB . ALA I 1 143 ? 25.507 78.859 111.287 1.00 16.52 ? ? ? ? ? ? 142 ALA I CB 1 +ATOM 17018 N N . ALA I 1 144 ? 25.975 75.723 110.934 1.00 20.10 ? ? ? ? ? ? 143 ALA I N 1 +ATOM 17019 C CA . ALA I 1 144 ? 26.550 74.503 111.497 1.00 20.53 ? ? ? ? ? ? 143 ALA I CA 1 +ATOM 17020 C C . ALA I 1 144 ? 27.934 74.283 110.900 1.00 20.80 ? ? ? ? ? ? 143 ALA I C 1 +ATOM 17021 O O . ALA I 1 144 ? 28.139 74.596 109.723 1.00 19.80 ? ? ? ? ? ? 143 ALA I O 1 +ATOM 17022 C CB . ALA I 1 144 ? 25.663 73.332 111.192 1.00 20.03 ? ? ? ? ? ? 143 ALA I CB 1 +ATOM 17023 N N . ASN I 1 145 ? 28.882 73.805 111.720 1.00 20.66 ? ? ? ? ? ? 144 ASN I N 1 +ATOM 17024 C CA . ASN I 1 145 ? 30.139 73.207 111.226 1.00 21.38 ? ? ? ? ? ? 144 ASN I CA 1 +ATOM 17025 C C . ASN I 1 145 ? 29.881 71.751 110.922 1.00 21.28 ? ? ? ? ? ? 144 ASN I C 1 +ATOM 17026 O O . ASN I 1 145 ? 29.267 71.063 111.744 1.00 20.86 ? ? ? ? ? ? 144 ASN I O 1 +ATOM 17027 C CB . ASN I 1 145 ? 31.228 73.277 112.288 1.00 21.11 ? ? ? ? ? ? 144 ASN I CB 1 +ATOM 17028 C CG . ASN I 1 145 ? 31.754 74.678 112.491 1.00 26.01 ? ? ? ? ? ? 144 ASN I CG 1 +ATOM 17029 O OD1 . ASN I 1 145 ? 32.267 75.306 111.560 1.00 23.98 ? ? ? ? ? ? 144 ASN I OD1 1 +ATOM 17030 N ND2 . ASN I 1 145 ? 31.628 75.181 113.719 1.00 20.03 ? ? ? ? ? ? 144 ASN I ND2 1 +ATOM 17031 N N . TRP I 1 146 ? 30.312 71.271 109.752 1.00 19.93 ? ? ? ? ? ? 145 TRP I N 1 +ATOM 17032 C CA . TRP I 1 146 ? 29.976 69.877 109.351 1.00 20.38 ? ? ? ? ? ? 145 TRP I CA 1 +ATOM 17033 C C . TRP I 1 146 ? 30.570 68.879 110.340 1.00 20.44 ? ? ? ? ? ? 145 TRP I C 1 +ATOM 17034 O O . TRP I 1 146 ? 29.952 67.878 110.658 1.00 20.55 ? ? ? ? ? ? 145 TRP I O 1 +ATOM 17035 C CB . TRP I 1 146 ? 30.421 69.532 107.919 1.00 17.98 ? ? ? ? ? ? 145 TRP I CB 1 +ATOM 17036 C CG . TRP I 1 146 ? 31.905 69.438 107.721 1.00 17.88 ? ? ? ? ? ? 145 TRP I CG 1 +ATOM 17037 C CD1 . TRP I 1 146 ? 32.740 70.424 107.282 1.00 15.79 ? ? ? ? ? ? 145 TRP I CD1 1 +ATOM 17038 C CD2 . TRP I 1 146 ? 32.733 68.300 107.987 1.00 20.22 ? ? ? ? ? ? 145 TRP I CD2 1 +ATOM 17039 N NE1 . TRP I 1 146 ? 34.032 69.963 107.236 1.00 19.32 ? ? ? ? ? ? 145 TRP I NE1 1 +ATOM 17040 C CE2 . TRP I 1 146 ? 34.056 68.663 107.676 1.00 16.26 ? ? ? ? ? ? 145 TRP I CE2 1 +ATOM 17041 C CE3 . TRP I 1 146 ? 32.484 67.016 108.475 1.00 20.81 ? ? ? ? ? ? 145 TRP I CE3 1 +ATOM 17042 C CZ2 . TRP I 1 146 ? 35.130 67.779 107.828 1.00 19.66 ? ? ? ? ? ? 145 TRP I CZ2 1 +ATOM 17043 C CZ3 . TRP I 1 146 ? 33.567 66.127 108.607 1.00 20.87 ? ? ? ? ? ? 145 TRP I CZ3 1 +ATOM 17044 C CH2 . TRP I 1 146 ? 34.861 66.522 108.275 1.00 20.08 ? ? ? ? ? ? 145 TRP I CH2 1 +ATOM 17045 N N . PHE I 1 147 ? 31.756 69.200 110.841 1.00 21.37 ? ? ? ? ? ? 146 PHE I N 1 +ATOM 17046 C CA . PHE I 1 147 ? 32.474 68.338 111.770 1.00 21.32 ? ? ? ? ? ? 146 PHE I CA 1 +ATOM 17047 C C . PHE I 1 147 ? 31.958 68.384 113.197 1.00 21.41 ? ? ? ? ? ? 146 PHE I C 1 +ATOM 17048 O O . PHE I 1 147 ? 32.557 67.771 114.072 1.00 23.30 ? ? ? ? ? ? 146 PHE I O 1 +ATOM 17049 C CB . PHE I 1 147 ? 33.977 68.650 111.743 1.00 21.93 ? ? ? ? ? ? 146 PHE I CB 1 +ATOM 17050 C CG . PHE I 1 147 ? 34.283 70.091 111.923 1.00 24.15 ? ? ? ? ? ? 146 PHE I CG 1 +ATOM 17051 C CD1 . PHE I 1 147 ? 34.337 70.650 113.204 1.00 26.68 ? ? ? ? ? ? 146 PHE I CD1 1 +ATOM 17052 C CD2 . PHE I 1 147 ? 34.493 70.912 110.814 1.00 24.60 ? ? ? ? ? ? 146 PHE I CD2 1 +ATOM 17053 C CE1 . PHE I 1 147 ? 34.619 71.981 113.377 1.00 26.02 ? ? ? ? ? ? 146 PHE I CE1 1 +ATOM 17054 C CE2 . PHE I 1 147 ? 34.777 72.235 110.977 1.00 28.24 ? ? ? ? ? ? 146 PHE I CE2 1 +ATOM 17055 C CZ . PHE I 1 147 ? 34.834 72.783 112.258 1.00 28.63 ? ? ? ? ? ? 146 PHE I CZ 1 +ATOM 17056 N N . GLU I 1 148 ? 30.856 69.099 113.440 1.00 21.79 ? ? ? ? ? ? 147 GLU I N 1 +ATOM 17057 C CA . GLU I 1 148 ? 30.213 69.104 114.764 1.00 21.57 ? ? ? ? ? ? 147 GLU I CA 1 +ATOM 17058 C C . GLU I 1 148 ? 28.865 68.404 114.768 1.00 22.11 ? ? ? ? ? ? 147 GLU I C 1 +ATOM 17059 O O . GLU I 1 148 ? 28.284 68.208 115.813 1.00 23.41 ? ? ? ? ? ? 147 GLU I O 1 +ATOM 17060 C CB . GLU I 1 148 ? 30.085 70.549 115.289 1.00 18.95 ? ? ? ? ? ? 147 GLU I CB 1 +ATOM 17061 C CG . GLU I 1 148 ? 31.394 71.085 115.785 1.00 22.05 ? ? ? ? ? ? 147 GLU I CG 1 +ATOM 17062 C CD . GLU I 1 148 ? 31.334 72.548 116.208 1.00 23.87 ? ? ? ? ? ? 147 GLU I CD 1 +ATOM 17063 O OE1 . GLU I 1 148 ? 30.338 73.229 115.896 1.00 25.18 ? ? ? ? ? ? 147 GLU I OE1 1 +ATOM 17064 O OE2 . GLU I 1 148 ? 32.307 73.003 116.838 1.00 31.93 ? ? ? ? ? ? 147 GLU I OE2 1 +ATOM 17065 N N . VAL I 1 149 ? 28.404 68.010 113.588 1.00 23.16 ? ? ? ? ? ? 148 VAL I N 1 +ATOM 17066 C CA . VAL I 1 149 ? 27.117 67.349 113.411 1.00 22.61 ? ? ? ? ? ? 148 VAL I CA 1 +ATOM 17067 C C . VAL I 1 149 ? 27.145 65.999 114.155 1.00 23.88 ? ? ? ? ? ? 148 VAL I C 1 +ATOM 17068 O O . VAL I 1 149 ? 26.172 65.624 114.841 1.00 22.51 ? ? ? ? ? ? 148 VAL I O 1 +ATOM 17069 C CB . VAL I 1 149 ? 26.807 67.219 111.893 1.00 23.96 ? ? ? ? ? ? 148 VAL I CB 1 +ATOM 17070 C CG1 . VAL I 1 149 ? 25.654 66.278 111.606 1.00 16.71 ? ? ? ? ? ? 148 VAL I CG1 1 +ATOM 17071 C CG2 . VAL I 1 149 ? 26.594 68.637 111.300 1.00 16.81 ? ? ? ? ? ? 148 VAL I CG2 1 +ATOM 17072 N N . VAL I 1 150 ? 28.291 65.328 114.056 1.00 23.42 ? ? ? ? ? ? 149 VAL I N 1 +ATOM 17073 C CA . VAL I 1 150 ? 28.602 64.117 114.796 1.00 22.90 ? ? ? ? ? ? 149 VAL I CA 1 +ATOM 17074 C C . VAL I 1 150 ? 29.990 64.305 115.352 1.00 24.27 ? ? ? ? ? ? 149 VAL I C 1 +ATOM 17075 O O . VAL I 1 150 ? 30.904 64.677 114.615 1.00 24.14 ? ? ? ? ? ? 149 VAL I O 1 +ATOM 17076 C CB . VAL I 1 150 ? 28.653 62.893 113.873 1.00 24.63 ? ? ? ? ? ? 149 VAL I CB 1 +ATOM 17077 C CG1 . VAL I 1 150 ? 29.259 61.656 114.613 1.00 22.68 ? ? ? ? ? ? 149 VAL I CG1 1 +ATOM 17078 C CG2 . VAL I 1 150 ? 27.269 62.607 113.288 1.00 16.39 ? ? ? ? ? ? 149 VAL I CG2 1 +ATOM 17079 N N . SER I 1 151 ? 30.162 64.005 116.633 1.00 26.73 ? ? ? ? ? ? 150 SER I N 1 +ATOM 17080 C CA . SER I 1 151 ? 31.467 64.048 117.269 1.00 29.50 ? ? ? ? ? ? 150 SER I CA 1 +ATOM 17081 C C . SER I 1 151 ? 32.400 63.012 116.642 1.00 29.64 ? ? ? ? ? ? 150 SER I C 1 +ATOM 17082 O O . SER I 1 151 ? 32.004 61.871 116.413 1.00 29.80 ? ? ? ? ? ? 150 SER I O 1 +ATOM 17083 C CB . SER I 1 151 ? 31.331 63.768 118.772 1.00 31.41 ? ? ? ? ? ? 150 SER I CB 1 +ATOM 17084 O OG . SER I 1 151 ? 32.603 63.769 119.394 1.00 33.75 ? ? ? ? ? ? 150 SER I OG 1 +ATOM 17085 N N . PRO I 1 152 ? 33.630 63.412 116.347 1.00 31.46 ? ? ? ? ? ? 151 PRO I N 1 +ATOM 17086 C CA . PRO I 1 152 ? 34.595 62.453 115.830 1.00 32.87 ? ? ? ? ? ? 151 PRO I CA 1 +ATOM 17087 C C . PRO I 1 152 ? 35.124 61.501 116.887 1.00 34.65 ? ? ? ? ? ? 151 PRO I C 1 +ATOM 17088 O O . PRO I 1 152 ? 35.629 60.424 116.544 1.00 34.38 ? ? ? ? ? ? 151 PRO I O 1 +ATOM 17089 C CB . PRO I 1 152 ? 35.724 63.341 115.280 1.00 32.04 ? ? ? ? ? ? 151 PRO I CB 1 +ATOM 17090 C CG . PRO I 1 152 ? 35.598 64.621 116.021 1.00 34.76 ? ? ? ? ? ? 151 PRO I CG 1 +ATOM 17091 C CD . PRO I 1 152 ? 34.171 64.782 116.403 1.00 33.15 ? ? ? ? ? ? 151 PRO I CD 1 +ATOM 17092 N N . LYS I 1 153 ? 35.025 61.906 118.153 1.00 39.73 ? ? ? ? ? ? 152 LYS I N 1 +ATOM 17093 C CA . LYS I 1 153 ? 35.388 61.034 119.271 1.00 43.76 ? ? ? ? ? ? 152 LYS I CA 1 +ATOM 17094 C C . LYS I 1 153 ? 34.667 59.687 119.102 1.00 39.06 ? ? ? ? ? ? 152 LYS I C 1 +ATOM 17095 O O . LYS I 1 153 ? 33.440 59.622 119.104 1.00 39.85 ? ? ? ? ? ? 152 LYS I O 1 +ATOM 17096 C CB . LYS I 1 153 ? 35.053 61.710 120.618 1.00 44.42 ? ? ? ? ? ? 152 LYS I CB 1 +ATOM 17097 C CG . LYS I 1 153 ? 35.878 62.984 120.874 1.00 51.27 ? ? ? ? ? ? 152 LYS I CG 1 +ATOM 17098 C CD . LYS I 1 153 ? 35.586 63.609 122.249 1.00 52.72 ? ? ? ? ? ? 152 LYS I CD 1 +ATOM 17099 C CE . LYS I 1 153 ? 36.519 64.806 122.550 1.00 60.55 ? ? ? ? ? ? 152 LYS I CE 1 +ATOM 17100 N NZ . LYS I 1 153 ? 36.014 66.140 122.046 1.00 66.76 ? ? ? ? ? ? 152 LYS I NZ 1 +ATOM 17101 N N . GLY I 1 154 ? 35.440 58.628 118.915 1.00 36.12 ? ? ? ? ? ? 153 GLY I N 1 +ATOM 17102 C CA . GLY I 1 154 ? 34.883 57.328 118.578 1.00 34.38 ? ? ? ? ? ? 153 GLY I CA 1 +ATOM 17103 C C . GLY I 1 154 ? 35.242 56.902 117.173 1.00 33.07 ? ? ? ? ? ? 153 GLY I C 1 +ATOM 17104 O O . GLY I 1 154 ? 35.449 55.717 116.904 1.00 34.26 ? ? ? ? ? ? 153 GLY I O 1 +ATOM 17105 N N . TYR I 1 155 ? 35.333 57.865 116.266 1.00 28.99 ? ? ? ? ? ? 154 TYR I N 1 +ATOM 17106 C CA . TYR I 1 155 ? 35.514 57.576 114.846 1.00 26.50 ? ? ? ? ? ? 154 TYR I CA 1 +ATOM 17107 C C . TYR I 1 155 ? 36.976 57.562 114.445 1.00 25.37 ? ? ? ? ? ? 154 TYR I C 1 +ATOM 17108 O O . TYR I 1 155 ? 37.338 56.964 113.432 1.00 26.60 ? ? ? ? ? ? 154 TYR I O 1 +ATOM 17109 C CB . TYR I 1 155 ? 34.695 58.595 114.013 1.00 26.04 ? ? ? ? ? ? 154 TYR I CB 1 +ATOM 17110 C CG . TYR I 1 155 ? 33.199 58.322 114.055 1.00 21.80 ? ? ? ? ? ? 154 TYR I CG 1 +ATOM 17111 C CD1 . TYR I 1 155 ? 32.605 57.474 113.133 1.00 24.90 ? ? ? ? ? ? 154 TYR I CD1 1 +ATOM 17112 C CD2 . TYR I 1 155 ? 32.403 58.893 114.998 1.00 23.28 ? ? ? ? ? ? 154 TYR I CD2 1 +ATOM 17113 C CE1 . TYR I 1 155 ? 31.233 57.225 113.157 1.00 21.81 ? ? ? ? ? ? 154 TYR I CE1 1 +ATOM 17114 C CE2 . TYR I 1 155 ? 31.026 58.645 115.040 1.00 23.82 ? ? ? ? ? ? 154 TYR I CE2 1 +ATOM 17115 C CZ . TYR I 1 155 ? 30.453 57.815 114.103 1.00 24.67 ? ? ? ? ? ? 154 TYR I CZ 1 +ATOM 17116 O OH . TYR I 1 155 ? 29.080 57.558 114.142 1.00 28.46 ? ? ? ? ? ? 154 TYR I OH 1 +ATOM 17117 N N . PHE I 1 156 ? 37.815 58.195 115.254 1.00 25.33 ? ? ? ? ? ? 155 PHE I N 1 +ATOM 17118 C CA . PHE I 1 156 ? 39.223 58.339 114.939 1.00 26.84 ? ? ? ? ? ? 155 PHE I CA 1 +ATOM 17119 C C . PHE I 1 156 ? 40.044 58.064 116.173 1.00 29.35 ? ? ? ? ? ? 155 PHE I C 1 +ATOM 17120 O O . PHE I 1 156 ? 39.546 58.156 117.281 1.00 31.40 ? ? ? ? ? ? 155 PHE I O 1 +ATOM 17121 C CB . PHE I 1 156 ? 39.493 59.750 114.380 1.00 27.12 ? ? ? ? ? ? 155 PHE I CB 1 +ATOM 17122 C CG . PHE I 1 156 ? 38.643 60.077 113.180 1.00 25.40 ? ? ? ? ? ? 155 PHE I CG 1 +ATOM 17123 C CD1 . PHE I 1 156 ? 38.927 59.507 111.938 1.00 17.99 ? ? ? ? ? ? 155 PHE I CD1 1 +ATOM 17124 C CD2 . PHE I 1 156 ? 37.492 60.845 113.315 1.00 24.02 ? ? ? ? ? ? 155 PHE I CD2 1 +ATOM 17125 C CE1 . PHE I 1 156 ? 38.120 59.744 110.853 1.00 23.05 ? ? ? ? ? ? 155 PHE I CE1 1 +ATOM 17126 C CE2 . PHE I 1 156 ? 36.683 61.079 112.236 1.00 23.80 ? ? ? ? ? ? 155 PHE I CE2 1 +ATOM 17127 C CZ . PHE I 1 156 ? 37.004 60.538 110.990 1.00 21.41 ? ? ? ? ? ? 155 PHE I CZ 1 +ATOM 17128 N N . GLU I 1 157 ? 41.309 57.719 115.972 1.00 31.85 ? ? ? ? ? ? 156 GLU I N 1 +ATOM 17129 C CA . GLU I 1 157 ? 42.179 57.299 117.058 1.00 36.18 ? ? ? ? ? ? 156 GLU I CA 1 +ATOM 17130 C C . GLU I 1 157 ? 42.935 58.436 117.703 1.00 34.21 ? ? ? ? ? ? 156 GLU I C 1 +ATOM 17131 O O . GLU I 1 157 ? 43.061 58.450 118.914 1.00 35.00 ? ? ? ? ? ? 156 GLU I O 1 +ATOM 17132 C CB . GLU I 1 157 ? 43.202 56.283 116.555 1.00 37.17 ? ? ? ? ? ? 156 GLU I CB 1 +ATOM 17133 C CG . GLU I 1 157 ? 42.615 54.931 116.189 1.00 41.21 ? ? ? ? ? ? 156 GLU I CG 1 +ATOM 17134 C CD . GLU I 1 157 ? 43.707 53.976 115.689 1.00 44.73 ? ? ? ? ? ? 156 GLU I CD 1 +ATOM 17135 O OE1 . GLU I 1 157 ? 44.742 53.876 116.406 1.00 42.20 ? ? ? ? ? ? 156 GLU I OE1 1 +ATOM 17136 O OE2 . GLU I 1 157 ? 43.531 53.363 114.585 1.00 51.73 ? ? ? ? ? ? 156 GLU I OE2 1 +ATOM 17137 N N . ALA I 1 158 ? 43.469 59.361 116.896 1.00 35.02 ? ? ? ? ? ? 157 ALA I N 1 +ATOM 17138 C CA . ALA I 1 158 ? 44.225 60.503 117.417 1.00 34.74 ? ? ? ? ? ? 157 ALA I CA 1 +ATOM 17139 C C . ALA I 1 158 ? 43.398 61.276 118.439 1.00 35.94 ? ? ? ? ? ? 157 ALA I C 1 +ATOM 17140 O O . ALA I 1 158 ? 42.203 61.566 118.217 1.00 35.51 ? ? ? ? ? ? 157 ALA I O 1 +ATOM 17141 C CB . ALA I 1 158 ? 44.679 61.424 116.287 1.00 33.53 ? ? ? ? ? ? 157 ALA I CB 1 +ATOM 17142 N N . GLU I 1 159 ? 44.023 61.589 119.571 1.00 37.66 ? ? ? ? ? ? 158 GLU I N 1 +ATOM 17143 C CA . GLU I 1 159 ? 43.329 62.293 120.652 1.00 40.78 ? ? ? ? ? ? 158 GLU I CA 1 +ATOM 17144 C C . GLU I 1 159 ? 43.237 63.781 120.302 1.00 38.07 ? ? ? ? ? ? 158 GLU I C 1 +ATOM 17145 O O . GLU I 1 159 ? 42.146 64.370 120.367 1.00 38.24 ? ? ? ? ? ? 158 GLU I O 1 +ATOM 17146 C CB . GLU I 1 159 ? 44.029 62.081 122.005 1.00 42.69 ? ? ? ? ? ? 158 GLU I CB 1 +ATOM 17147 N N . ILE I 1 160 ? 44.365 64.362 119.881 1.00 35.51 ? ? ? ? ? ? 159 ILE I N 1 +ATOM 17148 C CA . ILE I 1 160 ? 44.370 65.720 119.312 1.00 34.09 ? ? ? ? ? ? 159 ILE I CA 1 +ATOM 17149 C C . ILE I 1 160 ? 44.072 65.664 117.800 1.00 32.70 ? ? ? ? ? ? 159 ILE I C 1 +ATOM 17150 O O . ILE I 1 160 ? 44.764 64.982 117.021 1.00 30.45 ? ? ? ? ? ? 159 ILE I O 1 +ATOM 17151 C CB . ILE I 1 160 ? 45.682 66.464 119.574 1.00 33.47 ? ? ? ? ? ? 159 ILE I CB 1 +ATOM 17152 C CG1 . ILE I 1 160 ? 45.937 66.584 121.083 1.00 32.38 ? ? ? ? ? ? 159 ILE I CG1 1 +ATOM 17153 C CG2 . ILE I 1 160 ? 45.653 67.864 118.905 1.00 29.62 ? ? ? ? ? ? 159 ILE I CG2 1 +ATOM 17154 C CD1 . ILE I 1 160 ? 47.277 67.285 121.408 1.00 35.02 ? ? ? ? ? ? 159 ILE I CD1 1 +ATOM 17155 N N . ASP I 1 161 ? 43.016 66.379 117.413 1.00 31.39 ? ? ? ? ? ? 160 ASP I N 1 +ATOM 17156 C CA . ASP I 1 161 ? 42.555 66.417 116.042 1.00 32.34 ? ? ? ? ? ? 160 ASP I CA 1 +ATOM 17157 C C . ASP I 1 161 ? 41.780 67.723 115.795 1.00 31.88 ? ? ? ? ? ? 160 ASP I C 1 +ATOM 17158 O O . ASP I 1 161 ? 40.555 67.747 115.697 1.00 32.59 ? ? ? ? ? ? 160 ASP I O 1 +ATOM 17159 C CB . ASP I 1 161 ? 41.700 65.176 115.782 1.00 33.46 ? ? ? ? ? ? 160 ASP I CB 1 +ATOM 17160 C CG . ASP I 1 161 ? 41.298 65.030 114.327 1.00 35.61 ? ? ? ? ? ? 160 ASP I CG 1 +ATOM 17161 O OD1 . ASP I 1 161 ? 41.618 65.934 113.512 1.00 38.95 ? ? ? ? ? ? 160 ASP I OD1 1 +ATOM 17162 O OD2 . ASP I 1 161 ? 40.642 64.018 114.006 1.00 39.77 ? ? ? ? ? ? 160 ASP I OD2 1 +ATOM 17163 N N . ASP I 1 162 ? 42.519 68.812 115.682 1.00 31.56 ? ? ? ? ? ? 161 ASP I N 1 +ATOM 17164 C CA . ASP I 1 162 ? 41.929 70.139 115.542 1.00 30.71 ? ? ? ? ? ? 161 ASP I CA 1 +ATOM 17165 C C . ASP I 1 162 ? 41.961 70.671 114.113 1.00 29.57 ? ? ? ? ? ? 161 ASP I C 1 +ATOM 17166 O O . ASP I 1 162 ? 41.054 71.403 113.723 1.00 30.50 ? ? ? ? ? ? 161 ASP I O 1 +ATOM 17167 C CB . ASP I 1 162 ? 42.657 71.141 116.450 1.00 31.17 ? ? ? ? ? ? 161 ASP I CB 1 +ATOM 17168 C CG . ASP I 1 162 ? 42.328 70.946 117.937 1.00 38.14 ? ? ? ? ? ? 161 ASP I CG 1 +ATOM 17169 O OD1 . ASP I 1 162 ? 41.285 70.340 118.278 1.00 43.24 ? ? ? ? ? ? 161 ASP I OD1 1 +ATOM 17170 O OD2 . ASP I 1 162 ? 43.130 71.413 118.774 1.00 49.06 ? ? ? ? ? ? 161 ASP I OD2 1 +ATOM 17171 N N . HIS I 1 163 ? 43.010 70.359 113.356 1.00 25.90 ? ? ? ? ? ? 162 HIS I N 1 +ATOM 17172 C CA . HIS I 1 163 ? 43.184 70.934 112.034 1.00 23.71 ? ? ? ? ? ? 162 HIS I CA 1 +ATOM 17173 C C . HIS I 1 163 ? 44.123 70.079 111.150 1.00 22.59 ? ? ? ? ? ? 162 HIS I C 1 +ATOM 17174 O O . HIS I 1 163 ? 45.284 69.849 111.503 1.00 20.63 ? ? ? ? ? ? 162 HIS I O 1 +ATOM 17175 C CB . HIS I 1 163 ? 43.712 72.365 112.195 1.00 23.71 ? ? ? ? ? ? 162 HIS I CB 1 +ATOM 17176 C CG . HIS I 1 163 ? 44.146 73.001 110.911 1.00 21.25 ? ? ? ? ? ? 162 HIS I CG 1 +ATOM 17177 N ND1 . HIS I 1 163 ? 43.257 73.457 109.969 1.00 20.73 ? ? ? ? ? ? 162 HIS I ND1 1 +ATOM 17178 C CD2 . HIS I 1 163 ? 45.380 73.245 110.418 1.00 21.07 ? ? ? ? ? ? 162 HIS I CD2 1 +ATOM 17179 C CE1 . HIS I 1 163 ? 43.925 73.948 108.944 1.00 27.02 ? ? ? ? ? ? 162 HIS I CE1 1 +ATOM 17180 N NE2 . HIS I 1 163 ? 45.215 73.836 109.193 1.00 18.54 ? ? ? ? ? ? 162 HIS I NE2 1 +ATOM 17181 N N . ALA I 1 164 ? 43.600 69.613 110.027 1.00 20.81 ? ? ? ? ? ? 163 ALA I N 1 +ATOM 17182 C CA . ALA I 1 164 ? 44.336 68.807 109.091 1.00 21.65 ? ? ? ? ? ? 163 ALA I CA 1 +ATOM 17183 C C . ALA I 1 164 ? 44.758 67.467 109.715 1.00 23.28 ? ? ? ? ? ? 163 ALA I C 1 +ATOM 17184 O O . ALA I 1 164 ? 45.773 66.906 109.358 1.00 23.06 ? ? ? ? ? ? 163 ALA I O 1 +ATOM 17185 C CB . ALA I 1 164 ? 45.557 69.563 108.565 1.00 18.99 ? ? ? ? ? ? 163 ALA I CB 1 +ATOM 17186 N N . GLY I 1 165 ? 43.974 66.987 110.669 1.00 23.31 ? ? ? ? ? ? 164 GLY I N 1 +ATOM 17187 C CA . GLY I 1 165 ? 44.347 65.812 111.418 1.00 23.86 ? ? ? ? ? ? 164 GLY I CA 1 +ATOM 17188 C C . GLY I 1 165 ? 43.644 64.591 110.883 1.00 23.49 ? ? ? ? ? ? 164 GLY I C 1 +ATOM 17189 O O . GLY I 1 165 ? 43.303 64.528 109.700 1.00 23.37 ? ? ? ? ? ? 164 GLY I O 1 +ATOM 17190 N N . GLU I 1 166 ? 43.407 63.628 111.767 1.00 22.91 ? ? ? ? ? ? 165 GLU I N 1 +ATOM 17191 C CA . GLU I 1 166 ? 42.944 62.323 111.330 1.00 22.87 ? ? ? ? ? ? 165 GLU I CA 1 +ATOM 17192 C C . GLU I 1 166 ? 41.554 62.409 110.691 1.00 22.23 ? ? ? ? ? ? 165 GLU I C 1 +ATOM 17193 O O . GLU I 1 166 ? 41.322 61.823 109.640 1.00 22.98 ? ? ? ? ? ? 165 GLU I O 1 +ATOM 17194 C CB . GLU I 1 166 ? 42.977 61.331 112.485 1.00 23.00 ? ? ? ? ? ? 165 GLU I CB 1 +ATOM 17195 C CG . GLU I 1 166 ? 42.753 59.874 112.034 1.00 25.67 ? ? ? ? ? ? 165 GLU I CG 1 +ATOM 17196 C CD . GLU I 1 166 ? 42.826 58.857 113.187 1.00 25.69 ? ? ? ? ? ? 165 GLU I CD 1 +ATOM 17197 O OE1 . GLU I 1 166 ? 43.719 59.001 114.065 1.00 23.34 ? ? ? ? ? ? 165 GLU I OE1 1 +ATOM 17198 O OE2 . GLU I 1 166 ? 41.985 57.920 113.194 1.00 26.69 ? ? ? ? ? ? 165 GLU I OE2 1 +ATOM 17199 N N . SER I 1 167 ? 40.640 63.178 111.291 1.00 22.72 ? ? ? ? ? ? 166 SER I N 1 +ATOM 17200 C CA . SER I 1 167 ? 39.278 63.273 110.745 1.00 22.92 ? ? ? ? ? ? 166 SER I CA 1 +ATOM 17201 C C . SER I 1 167 ? 39.248 63.932 109.364 1.00 22.87 ? ? ? ? ? ? 166 SER I C 1 +ATOM 17202 O O . SER I 1 167 ? 38.749 63.334 108.417 1.00 24.77 ? ? ? ? ? ? 166 SER I O 1 +ATOM 17203 C CB . SER I 1 167 ? 38.272 63.914 111.739 1.00 22.39 ? ? ? ? ? ? 166 SER I CB 1 +ATOM 17204 O OG . SER I 1 167 ? 38.661 65.166 112.192 1.00 27.11 ? ? ? ? ? ? 166 SER I OG 1 +ATOM 17205 N N . GLU I 1 168 ? 39.786 65.142 109.234 1.00 23.60 ? ? ? ? ? ? 167 GLU I N 1 +ATOM 17206 C CA . GLU I 1 168 ? 39.755 65.855 107.939 1.00 22.96 ? ? ? ? ? ? 167 GLU I CA 1 +ATOM 17207 C C . GLU I 1 168 ? 40.462 65.033 106.864 1.00 21.31 ? ? ? ? ? ? 167 GLU I C 1 +ATOM 17208 O O . GLU I 1 168 ? 39.951 64.923 105.725 1.00 20.58 ? ? ? ? ? ? 167 GLU I O 1 +ATOM 17209 C CB . GLU I 1 168 ? 40.383 67.249 108.003 1.00 22.70 ? ? ? ? ? ? 167 GLU I CB 1 +ATOM 17210 C CG . GLU I 1 168 ? 39.377 68.331 108.303 1.00 25.79 ? ? ? ? ? ? 167 GLU I CG 1 +ATOM 17211 C CD . GLU I 1 168 ? 39.965 69.711 108.220 1.00 26.28 ? ? ? ? ? ? 167 GLU I CD 1 +ATOM 17212 O OE1 . GLU I 1 168 ? 41.143 69.873 108.594 1.00 26.22 ? ? ? ? ? ? 167 GLU I OE1 1 +ATOM 17213 O OE2 . GLU I 1 168 ? 39.242 70.646 107.776 1.00 24.36 ? ? ? ? ? ? 167 GLU I OE2 1 +ATOM 17214 N N . THR I 1 169 ? 41.612 64.474 107.243 1.00 19.57 ? ? ? ? ? ? 168 THR I N 1 +ATOM 17215 C CA . THR I 1 169 ? 42.389 63.671 106.348 1.00 20.47 ? ? ? ? ? ? 168 THR I CA 1 +ATOM 17216 C C . THR I 1 169 ? 41.618 62.446 105.872 1.00 20.42 ? ? ? ? ? ? 168 THR I C 1 +ATOM 17217 O O . THR I 1 169 ? 41.666 62.136 104.695 1.00 22.07 ? ? ? ? ? ? 168 THR I O 1 +ATOM 17218 C CB . THR I 1 169 ? 43.733 63.237 106.938 1.00 17.39 ? ? ? ? ? ? 168 THR I CB 1 +ATOM 17219 O OG1 . THR I 1 169 ? 44.518 64.388 107.230 1.00 16.77 ? ? ? ? ? ? 168 THR I OG1 1 +ATOM 17220 C CG2 . THR I 1 169 ? 44.513 62.428 105.919 1.00 20.17 ? ? ? ? ? ? 168 THR I CG2 1 +ATOM 17221 N N . SER I 1 170 ? 40.896 61.774 106.761 1.00 20.60 ? ? ? ? ? ? 169 SER I N 1 +ATOM 17222 C CA . SER I 1 170 ? 40.148 60.573 106.377 1.00 20.50 ? ? ? ? ? ? 169 SER I CA 1 +ATOM 17223 C C . SER I 1 170 ? 38.981 60.920 105.465 1.00 21.30 ? ? ? ? ? ? 169 SER I C 1 +ATOM 17224 O O . SER I 1 170 ? 38.719 60.201 104.493 1.00 20.94 ? ? ? ? ? ? 169 SER I O 1 +ATOM 17225 C CB . SER I 1 170 ? 39.604 59.859 107.605 1.00 22.08 ? ? ? ? ? ? 169 SER I CB 1 +ATOM 17226 O OG . SER I 1 170 ? 40.632 59.355 108.422 1.00 19.67 ? ? ? ? ? ? 169 SER I OG 1 +ATOM 17227 N N . VAL I 1 171 ? 38.259 62.003 105.792 1.00 21.25 ? ? ? ? ? ? 170 VAL I N 1 +ATOM 17228 C CA . VAL I 1 171 ? 37.117 62.451 104.973 1.00 19.63 ? ? ? ? ? ? 170 VAL I CA 1 +ATOM 17229 C C . VAL I 1 171 ? 37.630 62.888 103.597 1.00 20.00 ? ? ? ? ? ? 170 VAL I C 1 +ATOM 17230 O O . VAL I 1 171 ? 37.073 62.494 102.608 1.00 22.48 ? ? ? ? ? ? 170 VAL I O 1 +ATOM 17231 C CB . VAL I 1 171 ? 36.241 63.499 105.712 1.00 19.28 ? ? ? ? ? ? 170 VAL I CB 1 +ATOM 17232 C CG1 . VAL I 1 171 ? 35.050 63.909 104.890 1.00 17.08 ? ? ? ? ? ? 170 VAL I CG1 1 +ATOM 17233 C CG2 . VAL I 1 171 ? 35.770 62.945 107.063 1.00 17.51 ? ? ? ? ? ? 170 VAL I CG2 1 +ATOM 17234 N N . MSE I 1 172 ? 38.751 63.595 103.505 1.00 19.98 ? ? ? ? ? ? 171 MSE I N 1 +ATOM 17235 C CA . MSE I 1 172 ? 39.310 63.959 102.190 1.00 20.39 ? ? ? ? ? ? 171 MSE I CA 1 +ATOM 17236 C C . MSE I 1 172 ? 39.737 62.734 101.366 1.00 21.19 ? ? ? ? ? ? 171 MSE I C 1 +ATOM 17237 O O . MSE I 1 172 ? 39.536 62.696 100.176 1.00 21.65 ? ? ? ? ? ? 171 MSE I O 1 +ATOM 17238 C CB . MSE I 1 172 ? 40.487 64.933 102.317 1.00 20.90 ? ? ? ? ? ? 171 MSE I CB 1 +ATOM 17239 C CG . MSE I 1 172 ? 41.002 65.489 100.949 1.00 20.89 ? ? ? ? ? ? 171 MSE I CG 1 +ATOM 17240 SE SE . MSE I 1 172 ? 39.703 66.512 99.896 0.75 18.48 ? ? ? ? ? ? 171 MSE I SE 1 +ATOM 17241 C CE . MSE I 1 172 ? 39.491 68.003 101.066 1.00 16.92 ? ? ? ? ? ? 171 MSE I CE 1 +ATOM 17242 N N . MSE I 1 173 ? 40.325 61.743 102.012 1.00 21.94 ? ? ? ? ? ? 172 MSE I N 1 +ATOM 17243 C CA . MSE I 1 173 ? 40.714 60.476 101.359 1.00 21.83 ? ? ? ? ? ? 172 MSE I CA 1 +ATOM 17244 C C . MSE I 1 173 ? 39.506 59.721 100.794 1.00 22.61 ? ? ? ? ? ? 172 MSE I C 1 +ATOM 17245 O O . MSE I 1 173 ? 39.585 59.105 99.716 1.00 23.37 ? ? ? ? ? ? 172 MSE I O 1 +ATOM 17246 C CB . MSE I 1 173 ? 41.448 59.585 102.371 1.00 21.21 ? ? ? ? ? ? 172 MSE I CB 1 +ATOM 17247 C CG . MSE I 1 173 ? 42.857 59.997 102.623 1.00 20.94 ? ? ? ? ? ? 172 MSE I CG 1 +ATOM 17248 SE SE . MSE I 1 173 ? 43.754 59.009 104.084 0.75 19.18 ? ? ? ? ? ? 172 MSE I SE 1 +ATOM 17249 C CE . MSE I 1 173 ? 44.508 57.510 102.994 1.00 23.56 ? ? ? ? ? ? 172 MSE I CE 1 +ATOM 17250 N N . HIS I 1 174 ? 38.384 59.785 101.522 1.00 22.27 ? ? ? ? ? ? 173 HIS I N 1 +ATOM 17251 C CA . HIS I 1 174 ? 37.122 59.233 101.052 1.00 21.43 ? ? ? ? ? ? 173 HIS I CA 1 +ATOM 17252 C C . HIS I 1 174 ? 36.597 59.926 99.815 1.00 23.12 ? ? ? ? ? ? 173 HIS I C 1 +ATOM 17253 O O . HIS I 1 174 ? 36.388 59.276 98.795 1.00 22.99 ? ? ? ? ? ? 173 HIS I O 1 +ATOM 17254 C CB . HIS I 1 174 ? 36.071 59.312 102.139 1.00 21.98 ? ? ? ? ? ? 173 HIS I CB 1 +ATOM 17255 C CG . HIS I 1 174 ? 34.696 58.948 101.674 1.00 21.85 ? ? ? ? ? ? 173 HIS I CG 1 +ATOM 17256 N ND1 . HIS I 1 174 ? 34.419 57.747 101.053 1.00 26.02 ? ? ? ? ? ? 173 HIS I ND1 1 +ATOM 17257 C CD2 . HIS I 1 174 ? 33.513 59.602 101.786 1.00 22.84 ? ? ? ? ? ? 173 HIS I CD2 1 +ATOM 17258 C CE1 . HIS I 1 174 ? 33.123 57.695 100.780 1.00 27.27 ? ? ? ? ? ? 173 HIS I CE1 1 +ATOM 17259 N NE2 . HIS I 1 174 ? 32.552 58.805 101.215 1.00 21.17 ? ? ? ? ? ? 173 HIS I NE2 1 +ATOM 17260 N N . TYR I 1 175 ? 36.372 61.247 99.903 1.00 22.60 ? ? ? ? ? ? 174 TYR I N 1 +ATOM 17261 C CA . TYR I 1 175 ? 35.795 61.999 98.786 1.00 21.47 ? ? ? ? ? ? 174 TYR I CA 1 +ATOM 17262 C C . TYR I 1 175 ? 36.757 62.290 97.667 1.00 20.55 ? ? ? ? ? ? 174 TYR I C 1 +ATOM 17263 O O . TYR I 1 175 ? 36.341 62.341 96.529 1.00 19.46 ? ? ? ? ? ? 174 TYR I O 1 +ATOM 17264 C CB . TYR I 1 175 ? 35.188 63.332 99.240 1.00 22.32 ? ? ? ? ? ? 174 TYR I CB 1 +ATOM 17265 C CG . TYR I 1 175 ? 33.896 63.215 100.003 1.00 20.32 ? ? ? ? ? ? 174 TYR I CG 1 +ATOM 17266 C CD1 . TYR I 1 175 ? 32.745 62.688 99.411 1.00 20.48 ? ? ? ? ? ? 174 TYR I CD1 1 +ATOM 17267 C CD2 . TYR I 1 175 ? 33.788 63.725 101.276 1.00 18.59 ? ? ? ? ? ? 174 TYR I CD2 1 +ATOM 17268 C CE1 . TYR I 1 175 ? 31.559 62.623 100.111 1.00 21.06 ? ? ? ? ? ? 174 TYR I CE1 1 +ATOM 17269 C CE2 . TYR I 1 175 ? 32.588 63.667 101.984 1.00 21.90 ? ? ? ? ? ? 174 TYR I CE2 1 +ATOM 17270 C CZ . TYR I 1 175 ? 31.491 63.122 101.408 1.00 22.93 ? ? ? ? ? ? 174 TYR I CZ 1 +ATOM 17271 O OH . TYR I 1 175 ? 30.311 63.103 102.125 1.00 20.57 ? ? ? ? ? ? 174 TYR I OH 1 +ATOM 17272 N N . HIS I 1 176 ? 38.023 62.523 97.965 1.00 21.63 ? ? ? ? ? ? 175 HIS I N 1 +ATOM 17273 C CA . HIS I 1 176 ? 38.969 62.867 96.934 1.00 22.17 ? ? ? ? ? ? 175 HIS I CA 1 +ATOM 17274 C C . HIS I 1 176 ? 40.371 62.323 97.210 1.00 23.29 ? ? ? ? ? ? 175 HIS I C 1 +ATOM 17275 O O . HIS I 1 176 ? 41.293 63.112 97.448 1.00 23.36 ? ? ? ? ? ? 175 HIS I O 1 +ATOM 17276 C CB . HIS I 1 176 ? 39.082 64.379 96.820 1.00 23.73 ? ? ? ? ? ? 175 HIS I CB 1 +ATOM 17277 C CG . HIS I 1 176 ? 37.845 65.061 96.342 1.00 22.14 ? ? ? ? ? ? 175 HIS I CG 1 +ATOM 17278 N ND1 . HIS I 1 176 ? 37.547 65.197 95.003 1.00 24.53 ? ? ? ? ? ? 175 HIS I ND1 1 +ATOM 17279 C CD2 . HIS I 1 176 ? 36.848 65.687 97.022 1.00 22.64 ? ? ? ? ? ? 175 HIS I CD2 1 +ATOM 17280 C CE1 . HIS I 1 176 ? 36.404 65.856 94.877 1.00 29.46 ? ? ? ? ? ? 175 HIS I CE1 1 +ATOM 17281 N NE2 . HIS I 1 176 ? 35.964 66.170 96.087 1.00 23.09 ? ? ? ? ? ? 175 HIS I NE2 1 +ATOM 17282 N N . PRO I 1 177 ? 40.552 60.992 97.086 1.00 25.18 ? ? ? ? ? ? 176 PRO I N 1 +ATOM 17283 C CA . PRO I 1 177 ? 41.844 60.371 97.315 1.00 26.15 ? ? ? ? ? ? 176 PRO I CA 1 +ATOM 17284 C C . PRO I 1 177 ? 42.934 60.921 96.425 1.00 25.82 ? ? ? ? ? ? 176 PRO I C 1 +ATOM 17285 O O . PRO I 1 177 ? 44.099 60.898 96.813 1.00 27.32 ? ? ? ? ? ? 176 PRO I O 1 +ATOM 17286 C CB . PRO I 1 177 ? 41.598 58.881 97.025 1.00 26.11 ? ? ? ? ? ? 176 PRO I CB 1 +ATOM 17287 C CG . PRO I 1 177 ? 40.317 58.806 96.328 1.00 25.60 ? ? ? ? ? ? 176 PRO I CG 1 +ATOM 17288 C CD . PRO I 1 177 ? 39.532 59.995 96.682 1.00 25.53 ? ? ? ? ? ? 176 PRO I CD 1 +ATOM 17289 N N . GLU I 1 178 ? 42.551 61.434 95.263 1.00 27.41 ? ? ? ? ? ? 177 GLU I N 1 +ATOM 17290 C CA . GLU I 1 178 ? 43.487 62.035 94.326 1.00 27.65 ? ? ? ? ? ? 177 GLU I CA 1 +ATOM 17291 C C . GLU I 1 178 ? 44.090 63.367 94.822 1.00 27.57 ? ? ? ? ? ? 177 GLU I C 1 +ATOM 17292 O O . GLU I 1 178 ? 45.158 63.787 94.339 1.00 26.96 ? ? ? ? ? ? 177 GLU I O 1 +ATOM 17293 C CB . GLU I 1 178 ? 42.809 62.179 92.945 1.00 28.58 ? ? ? ? ? ? 177 GLU I CB 1 +ATOM 17294 C CG . GLU I 1 178 ? 41.842 63.402 92.755 1.00 29.70 ? ? ? ? ? ? 177 GLU I CG 1 +ATOM 17295 C CD . GLU I 1 178 ? 40.412 63.231 93.334 1.00 33.89 ? ? ? ? ? ? 177 GLU I CD 1 +ATOM 17296 O OE1 . GLU I 1 178 ? 40.036 62.112 93.799 1.00 30.96 ? ? ? ? ? ? 177 GLU I OE1 1 +ATOM 17297 O OE2 . GLU I 1 178 ? 39.662 64.251 93.313 1.00 34.07 ? ? ? ? ? ? 177 GLU I OE2 1 +ATOM 17298 N N . LEU I 1 179 ? 43.439 64.033 95.794 1.00 26.53 ? ? ? ? ? ? 178 LEU I N 1 +ATOM 17299 C CA . LEU I 1 179 ? 43.930 65.355 96.266 1.00 25.62 ? ? ? ? ? ? 178 LEU I CA 1 +ATOM 17300 C C . LEU I 1 179 ? 44.830 65.280 97.498 1.00 26.61 ? ? ? ? ? ? 178 LEU I C 1 +ATOM 17301 O O . LEU I 1 179 ? 45.292 66.308 97.972 1.00 28.39 ? ? ? ? ? ? 178 LEU I O 1 +ATOM 17302 C CB . LEU I 1 179 ? 42.765 66.333 96.547 1.00 25.37 ? ? ? ? ? ? 178 LEU I CB 1 +ATOM 17303 C CG . LEU I 1 179 ? 41.924 66.788 95.354 1.00 24.90 ? ? ? ? ? ? 178 LEU I CG 1 +ATOM 17304 C CD1 . LEU I 1 179 ? 40.818 67.713 95.826 1.00 24.59 ? ? ? ? ? ? 178 LEU I CD1 1 +ATOM 17305 C CD2 . LEU I 1 179 ? 42.765 67.464 94.254 1.00 25.21 ? ? ? ? ? ? 178 LEU I CD2 1 +ATOM 17306 N N . VAL I 1 180 ? 45.035 64.079 98.034 1.00 26.90 ? ? ? ? ? ? 179 VAL I N 1 +ATOM 17307 C CA . VAL I 1 180 ? 45.810 63.888 99.256 1.00 27.19 ? ? ? ? ? ? 179 VAL I CA 1 +ATOM 17308 C C . VAL I 1 180 ? 46.723 62.684 99.191 1.00 28.11 ? ? ? ? ? ? 179 VAL I C 1 +ATOM 17309 O O . VAL I 1 180 ? 46.307 61.608 98.832 1.00 28.42 ? ? ? ? ? ? 179 VAL I O 1 +ATOM 17310 C CB . VAL I 1 180 ? 44.929 63.774 100.536 1.00 28.35 ? ? ? ? ? ? 179 VAL I CB 1 +ATOM 17311 C CG1 . VAL I 1 180 ? 43.774 62.809 100.362 1.00 26.53 ? ? ? ? ? ? 179 VAL I CG1 1 +ATOM 17312 C CG2 . VAL I 1 180 ? 45.805 63.414 101.725 1.00 28.49 ? ? ? ? ? ? 179 VAL I CG2 1 +ATOM 17313 N N . ASN I 1 181 ? 47.992 62.913 99.492 1.00 29.28 ? ? ? ? ? ? 180 ASN I N 1 +ATOM 17314 C CA . ASN I 1 181 ? 48.954 61.843 99.652 1.00 30.70 ? ? ? ? ? ? 180 ASN I CA 1 +ATOM 17315 C C . ASN I 1 181 ? 49.373 61.796 101.112 1.00 27.63 ? ? ? ? ? ? 180 ASN I C 1 +ATOM 17316 O O . ASN I 1 181 ? 50.169 62.618 101.555 1.00 26.92 ? ? ? ? ? ? 180 ASN I O 1 +ATOM 17317 C CB . ASN I 1 181 ? 50.164 62.071 98.746 1.00 31.08 ? ? ? ? ? ? 180 ASN I CB 1 +ATOM 17318 C CG . ASN I 1 181 ? 49.834 61.869 97.278 1.00 40.48 ? ? ? ? ? ? 180 ASN I CG 1 +ATOM 17319 O OD1 . ASN I 1 181 ? 49.030 60.993 96.925 1.00 41.78 ? ? ? ? ? ? 180 ASN I OD1 1 +ATOM 17320 N ND2 . ASN I 1 181 ? 50.454 62.682 96.405 1.00 41.14 ? ? ? ? ? ? 180 ASN I ND2 1 +ATOM 17321 N N . LEU I 1 182 ? 48.824 60.835 101.850 1.00 26.98 ? ? ? ? ? ? 181 LEU I N 1 +ATOM 17322 C CA . LEU I 1 182 ? 49.070 60.719 103.284 1.00 27.15 ? ? ? ? ? ? 181 LEU I CA 1 +ATOM 17323 C C . LEU I 1 182 ? 50.556 60.644 103.648 1.00 27.08 ? ? ? ? ? ? 181 LEU I C 1 +ATOM 17324 O O . LEU I 1 182 ? 50.963 61.199 104.667 1.00 27.00 ? ? ? ? ? ? 181 LEU I O 1 +ATOM 17325 C CB . LEU I 1 182 ? 48.320 59.523 103.875 1.00 26.39 ? ? ? ? ? ? 181 LEU I CB 1 +ATOM 17326 C CG . LEU I 1 182 ? 48.422 59.337 105.381 1.00 26.37 ? ? ? ? ? ? 181 LEU I CG 1 +ATOM 17327 C CD1 . LEU I 1 182 ? 48.045 60.616 106.173 1.00 26.34 ? ? ? ? ? ? 181 LEU I CD1 1 +ATOM 17328 C CD2 . LEU I 1 182 ? 47.555 58.136 105.762 1.00 26.12 ? ? ? ? ? ? 181 LEU I CD2 1 +ATOM 17329 N N . ALA I 1 183 ? 51.370 59.997 102.826 1.00 28.00 ? ? ? ? ? ? 182 ALA I N 1 +ATOM 17330 C CA . ALA I 1 183 ? 52.841 59.942 103.076 1.00 28.96 ? ? ? ? ? ? 182 ALA I CA 1 +ATOM 17331 C C . ALA I 1 183 ? 53.531 61.310 103.164 1.00 30.02 ? ? ? ? ? ? 182 ALA I C 1 +ATOM 17332 O O . ALA I 1 183 ? 54.646 61.410 103.692 1.00 30.51 ? ? ? ? ? ? 182 ALA I O 1 +ATOM 17333 C CB . ALA I 1 183 ? 53.550 59.087 101.995 1.00 28.76 ? ? ? ? ? ? 182 ALA I CB 1 +ATOM 17334 N N . GLU I 1 184 ? 52.911 62.357 102.612 1.00 30.74 ? ? ? ? ? ? 183 GLU I N 1 +ATOM 17335 C CA . GLU I 1 184 ? 53.495 63.716 102.634 1.00 31.41 ? ? ? ? ? ? 183 GLU I CA 1 +ATOM 17336 C C . GLU I 1 184 ? 53.246 64.470 103.938 1.00 27.95 ? ? ? ? ? ? 183 GLU I C 1 +ATOM 17337 O O . GLU I 1 184 ? 53.846 65.521 104.176 1.00 27.67 ? ? ? ? ? ? 183 GLU I O 1 +ATOM 17338 C CB . GLU I 1 184 ? 52.938 64.537 101.457 1.00 32.13 ? ? ? ? ? ? 183 GLU I CB 1 +ATOM 17339 C CG . GLU I 1 184 ? 53.269 63.963 100.064 1.00 36.19 ? ? ? ? ? ? 183 GLU I CG 1 +ATOM 17340 C CD . GLU I 1 184 ? 52.611 64.732 98.900 1.00 38.07 ? ? ? ? ? ? 183 GLU I CD 1 +ATOM 17341 O OE1 . GLU I 1 184 ? 52.132 65.879 99.093 1.00 42.46 ? ? ? ? ? ? 183 GLU I OE1 1 +ATOM 17342 O OE2 . GLU I 1 184 ? 52.575 64.170 97.775 1.00 45.21 ? ? ? ? ? ? 183 GLU I OE2 1 +ATOM 17343 N N . ALA I 1 185 ? 52.373 63.932 104.787 1.00 26.69 ? ? ? ? ? ? 184 ALA I N 1 +ATOM 17344 C CA . ALA I 1 185 ? 51.960 64.589 106.033 1.00 25.58 ? ? ? ? ? ? 184 ALA I CA 1 +ATOM 17345 C C . ALA I 1 185 ? 53.085 64.683 107.068 1.00 26.22 ? ? ? ? ? ? 184 ALA I C 1 +ATOM 17346 O O . ALA I 1 185 ? 53.901 63.779 107.210 1.00 27.15 ? ? ? ? ? ? 184 ALA I O 1 +ATOM 17347 C CB . ALA I 1 185 ? 50.704 63.889 106.641 1.00 21.10 ? ? ? ? ? ? 184 ALA I CB 1 +ATOM 17348 N N . GLY I 1 186 ? 53.137 65.820 107.758 1.00 26.13 ? ? ? ? ? ? 185 GLY I N 1 +ATOM 17349 C CA . GLY I 1 186 ? 53.933 65.963 108.976 1.00 24.73 ? ? ? ? ? ? 185 GLY I CA 1 +ATOM 17350 C C . GLY I 1 186 ? 53.176 65.441 110.179 1.00 25.17 ? ? ? ? ? ? 185 GLY I C 1 +ATOM 17351 O O . GLY I 1 186 ? 51.999 65.098 110.084 1.00 24.09 ? ? ? ? ? ? 185 GLY I O 1 +ATOM 17352 N N . ASP I 1 187 ? 53.835 65.414 111.343 1.00 26.58 ? ? ? ? ? ? 186 ASP I N 1 +ATOM 17353 C CA A ASP I 1 187 ? 53.189 64.832 112.528 0.50 28.31 ? ? ? ? ? ? 186 ASP I CA 1 +ATOM 17354 C CA B ASP I 1 187 ? 53.247 64.861 112.571 0.50 28.16 ? ? ? ? ? ? 186 ASP I CA 1 +ATOM 17355 C C . ASP I 1 187 ? 52.135 65.745 113.184 1.00 27.43 ? ? ? ? ? ? 186 ASP I C 1 +ATOM 17356 O O . ASP I 1 187 ? 51.415 65.312 114.097 1.00 27.13 ? ? ? ? ? ? 186 ASP I O 1 +ATOM 17357 C CB A ASP I 1 187 ? 54.226 64.319 113.551 0.50 30.74 ? ? ? ? ? ? 186 ASP I CB 1 +ATOM 17358 C CB B ASP I 1 187 ? 54.357 64.630 113.618 0.50 29.63 ? ? ? ? ? ? 186 ASP I CB 1 +ATOM 17359 C CG A ASP I 1 187 ? 55.083 65.422 114.162 0.50 33.41 ? ? ? ? ? ? 186 ASP I CG 1 +ATOM 17360 C CG B ASP I 1 187 ? 55.263 63.434 113.284 0.50 33.96 ? ? ? ? ? ? 186 ASP I CG 1 +ATOM 17361 O OD1 A ASP I 1 187 ? 54.996 66.594 113.726 0.50 41.32 ? ? ? ? ? ? 186 ASP I OD1 1 +ATOM 17362 O OD1 B ASP I 1 187 ? 55.198 62.919 112.145 0.50 33.82 ? ? ? ? ? ? 186 ASP I OD1 1 +ATOM 17363 O OD2 A ASP I 1 187 ? 55.857 65.100 115.099 0.50 37.22 ? ? ? ? ? ? 186 ASP I OD2 1 +ATOM 17364 O OD2 B ASP I 1 187 ? 56.030 63.007 114.184 0.50 32.20 ? ? ? ? ? ? 186 ASP I OD2 1 +ATOM 17365 N N . GLY I 1 188 ? 52.016 66.990 112.713 1.00 27.09 ? ? ? ? ? ? 187 GLY I N 1 +ATOM 17366 C CA . GLY I 1 188 ? 51.017 67.925 113.247 1.00 26.89 ? ? ? ? ? ? 187 GLY I CA 1 +ATOM 17367 C C . GLY I 1 188 ? 51.177 68.235 114.727 1.00 26.96 ? ? ? ? ? ? 187 GLY I C 1 +ATOM 17368 O O . GLY I 1 188 ? 50.188 68.409 115.443 1.00 25.89 ? ? ? ? ? ? 187 GLY I O 1 +ATOM 17369 N N . GLU I 1 189 ? 52.424 68.288 115.183 1.00 27.96 ? ? ? ? ? ? 188 GLU I N 1 +ATOM 17370 C CA . GLU I 1 189 ? 52.728 68.557 116.597 1.00 30.94 ? ? ? ? ? ? 188 GLU I CA 1 +ATOM 17371 C C . GLU I 1 189 ? 52.309 69.972 116.933 1.00 30.73 ? ? ? ? ? ? 188 GLU I C 1 +ATOM 17372 O O . GLU I 1 189 ? 52.451 70.872 116.101 1.00 29.89 ? ? ? ? ? ? 188 GLU I O 1 +ATOM 17373 C CB . GLU I 1 189 ? 54.220 68.383 116.914 1.00 32.60 ? ? ? ? ? ? 188 GLU I CB 1 +ATOM 17374 C CG . GLU I 1 189 ? 54.629 66.941 117.211 1.00 48.10 ? ? ? ? ? ? 188 GLU I CG 1 +ATOM 17375 C CD . GLU I 1 189 ? 53.939 66.334 118.448 1.00 58.18 ? ? ? ? ? ? 188 GLU I CD 1 +ATOM 17376 O OE1 . GLU I 1 189 ? 53.887 66.999 119.514 1.00 61.12 ? ? ? ? ? ? 188 GLU I OE1 1 +ATOM 17377 O OE2 . GLU I 1 189 ? 53.458 65.179 118.337 1.00 60.47 ? ? ? ? ? ? 188 GLU I OE2 1 +ATOM 17378 N N . SER I 1 190 ? 51.736 70.137 118.131 1.00 31.97 ? ? ? ? ? ? 189 SER I N 1 +ATOM 17379 C CA . SER I 1 190 ? 51.231 71.428 118.584 1.00 32.76 ? ? ? ? ? ? 189 SER I CA 1 +ATOM 17380 C C . SER I 1 190 ? 51.770 71.750 119.966 1.00 33.55 ? ? ? ? ? ? 189 SER I C 1 +ATOM 17381 O O . SER I 1 190 ? 52.121 70.860 120.741 1.00 34.50 ? ? ? ? ? ? 189 SER I O 1 +ATOM 17382 C CB . SER I 1 190 ? 49.697 71.469 118.565 1.00 32.55 ? ? ? ? ? ? 189 SER I CB 1 +ATOM 17383 O OG . SER I 1 190 ? 49.124 70.439 119.350 1.00 38.41 ? ? ? ? ? ? 189 SER I OG 1 +ATOM 17384 N N . LYS I 1 191 ? 51.860 73.039 120.250 1.00 32.28 ? ? ? ? ? ? 190 LYS I N 1 +ATOM 17385 C CA . LYS I 1 191 ? 52.373 73.516 121.503 1.00 34.46 ? ? ? ? ? ? 190 LYS I CA 1 +ATOM 17386 C C . LYS I 1 191 ? 51.315 74.360 122.181 1.00 31.73 ? ? ? ? ? ? 190 LYS I C 1 +ATOM 17387 O O . LYS I 1 191 ? 50.611 75.109 121.524 1.00 30.52 ? ? ? ? ? ? 190 LYS I O 1 +ATOM 17388 C CB . LYS I 1 191 ? 53.626 74.345 121.282 1.00 33.31 ? ? ? ? ? ? 190 LYS I CB 1 +ATOM 17389 C CG . LYS I 1 191 ? 54.852 73.569 120.861 1.00 40.52 ? ? ? ? ? ? 190 LYS I CG 1 +ATOM 17390 C CD . LYS I 1 191 ? 56.055 74.525 120.767 1.00 44.48 ? ? ? ? ? ? 190 LYS I CD 1 +ATOM 17391 C CE . LYS I 1 191 ? 56.856 74.337 119.469 1.00 55.21 ? ? ? ? ? ? 190 LYS I CE 1 +ATOM 17392 N NZ . LYS I 1 191 ? 56.078 74.724 118.218 1.00 55.56 ? ? ? ? ? ? 190 LYS I NZ 1 +ATOM 17393 N N . PRO I 1 192 ? 51.227 74.259 123.512 1.00 30.93 ? ? ? ? ? ? 191 PRO I N 1 +ATOM 17394 C CA . PRO I 1 192 ? 50.254 75.048 124.269 1.00 29.48 ? ? ? ? ? ? 191 PRO I CA 1 +ATOM 17395 C C . PRO I 1 192 ? 50.724 76.471 124.534 1.00 27.25 ? ? ? ? ? ? 191 PRO I C 1 +ATOM 17396 O O . PRO I 1 192 ? 51.880 76.851 124.200 1.00 26.13 ? ? ? ? ? ? 191 PRO I O 1 +ATOM 17397 C CB . PRO I 1 192 ? 50.168 74.289 125.595 1.00 30.22 ? ? ? ? ? ? 191 PRO I CB 1 +ATOM 17398 C CG . PRO I 1 192 ? 51.550 73.807 125.802 1.00 30.37 ? ? ? ? ? ? 191 PRO I CG 1 +ATOM 17399 C CD . PRO I 1 192 ? 52.052 73.423 124.406 1.00 30.62 ? ? ? ? ? ? 191 PRO I CD 1 +ATOM 17400 N N . PHE I 1 193 ? 49.825 77.237 125.159 1.00 26.44 ? ? ? ? ? ? 192 PHE I N 1 +ATOM 17401 C CA . PHE I 1 193 ? 50.150 78.543 125.694 1.00 25.66 ? ? ? ? ? ? 192 PHE I CA 1 +ATOM 17402 C C . PHE I 1 193 ? 51.048 78.391 126.947 1.00 26.21 ? ? ? ? ? ? 192 PHE I C 1 +ATOM 17403 O O . PHE I 1 193 ? 51.043 77.343 127.631 1.00 25.78 ? ? ? ? ? ? 192 PHE I O 1 +ATOM 17404 C CB . PHE I 1 193 ? 48.866 79.288 126.102 1.00 26.16 ? ? ? ? ? ? 192 PHE I CB 1 +ATOM 17405 C CG . PHE I 1 193 ? 47.874 79.553 124.959 1.00 23.99 ? ? ? ? ? ? 192 PHE I CG 1 +ATOM 17406 C CD1 . PHE I 1 193 ? 48.238 80.288 123.843 1.00 22.74 ? ? ? ? ? ? 192 PHE I CD1 1 +ATOM 17407 C CD2 . PHE I 1 193 ? 46.563 79.087 125.041 1.00 24.56 ? ? ? ? ? ? 192 PHE I CD2 1 +ATOM 17408 C CE1 . PHE I 1 193 ? 47.307 80.544 122.818 1.00 19.94 ? ? ? ? ? ? 192 PHE I CE1 1 +ATOM 17409 C CE2 . PHE I 1 193 ? 45.642 79.333 124.030 1.00 23.12 ? ? ? ? ? ? 192 PHE I CE2 1 +ATOM 17410 C CZ . PHE I 1 193 ? 46.023 80.065 122.922 1.00 23.01 ? ? ? ? ? ? 192 PHE I CZ 1 +ATOM 17411 N N . ALA I 1 194 ? 51.777 79.464 127.264 1.00 26.35 ? ? ? ? ? ? 193 ALA I N 1 +ATOM 17412 C CA . ALA I 1 194 ? 52.502 79.598 128.540 1.00 27.32 ? ? ? ? ? ? 193 ALA I CA 1 +ATOM 17413 C C . ALA I 1 194 ? 51.579 79.982 129.724 1.00 28.06 ? ? ? ? ? ? 193 ALA I C 1 +ATOM 17414 O O . ALA I 1 194 ? 52.014 79.936 130.873 1.00 29.32 ? ? ? ? ? ? 193 ALA I O 1 +ATOM 17415 C CB . ALA I 1 194 ? 53.642 80.637 128.392 1.00 23.07 ? ? ? ? ? ? 193 ALA I CB 1 +ATOM 17416 N N . ILE I 1 195 ? 50.338 80.379 129.404 1.00 27.95 ? ? ? ? ? ? 194 ILE I N 1 +ATOM 17417 C CA . ILE I 1 195 ? 49.315 80.857 130.335 1.00 25.20 ? ? ? ? ? ? 194 ILE I CA 1 +ATOM 17418 C C . ILE I 1 195 ? 48.351 79.694 130.568 1.00 26.09 ? ? ? ? ? ? 194 ILE I C 1 +ATOM 17419 O O . ILE I 1 195 ? 47.505 79.373 129.722 1.00 25.99 ? ? ? ? ? ? 194 ILE I O 1 +ATOM 17420 C CB . ILE I 1 195 ? 48.573 82.120 129.777 1.00 25.80 ? ? ? ? ? ? 194 ILE I CB 1 +ATOM 17421 C CG1 . ILE I 1 195 ? 49.540 83.303 129.602 1.00 22.81 ? ? ? ? ? ? 194 ILE I CG1 1 +ATOM 17422 C CG2 . ILE I 1 195 ? 47.396 82.559 130.673 1.00 19.60 ? ? ? ? ? ? 194 ILE I CG2 1 +ATOM 17423 C CD1 . ILE I 1 195 ? 48.890 84.517 128.933 1.00 22.79 ? ? ? ? ? ? 194 ILE I CD1 1 +ATOM 17424 N N . ALA I 1 196 ? 48.510 79.060 131.733 1.00 25.60 ? ? ? ? ? ? 195 ALA I N 1 +ATOM 17425 C CA . ALA I 1 196 ? 47.844 77.808 132.041 1.00 25.08 ? ? ? ? ? ? 195 ALA I CA 1 +ATOM 17426 C C . ALA I 1 196 ? 46.329 77.927 131.960 1.00 24.52 ? ? ? ? ? ? 195 ALA I C 1 +ATOM 17427 O O . ALA I 1 196 ? 45.702 77.050 131.402 1.00 25.74 ? ? ? ? ? ? 195 ALA I O 1 +ATOM 17428 C CB . ALA I 1 196 ? 48.298 77.260 133.411 1.00 24.76 ? ? ? ? ? ? 195 ALA I CB 1 +ATOM 17429 N N . SER I 1 197 ? 45.739 79.006 132.483 1.00 24.06 ? ? ? ? ? ? 196 SER I N 1 +ATOM 17430 C CA . SER I 1 197 ? 44.279 79.198 132.441 1.00 23.70 ? ? ? ? ? ? 196 SER I CA 1 +ATOM 17431 C C . SER I 1 197 ? 43.705 79.219 131.021 1.00 23.56 ? ? ? ? ? ? 196 SER I C 1 +ATOM 17432 O O . SER I 1 197 ? 42.546 78.842 130.817 1.00 23.60 ? ? ? ? ? ? 196 SER I O 1 +ATOM 17433 C CB . SER I 1 197 ? 43.879 80.471 133.208 1.00 24.29 ? ? ? ? ? ? 196 SER I CB 1 +ATOM 17434 O OG . SER I 1 197 ? 44.412 80.445 134.520 1.00 21.43 ? ? ? ? ? ? 196 SER I OG 1 +ATOM 17435 N N . LEU I 1 198 ? 44.508 79.666 130.045 1.00 23.34 ? ? ? ? ? ? 197 LEU I N 1 +ATOM 17436 C CA . LEU I 1 198 ? 44.083 79.670 128.665 1.00 24.21 ? ? ? ? ? ? 197 LEU I CA 1 +ATOM 17437 C C . LEU I 1 198 ? 44.065 78.261 128.064 1.00 24.80 ? ? ? ? ? ? 197 LEU I C 1 +ATOM 17438 O O . LEU I 1 198 ? 43.165 77.937 127.331 1.00 25.25 ? ? ? ? ? ? 197 LEU I O 1 +ATOM 17439 C CB . LEU I 1 198 ? 44.922 80.633 127.808 1.00 24.44 ? ? ? ? ? ? 197 LEU I CB 1 +ATOM 17440 C CG . LEU I 1 198 ? 44.879 82.130 128.125 1.00 20.42 ? ? ? ? ? ? 197 LEU I CG 1 +ATOM 17441 C CD1 . LEU I 1 198 ? 45.771 82.801 127.135 1.00 20.28 ? ? ? ? ? ? 197 LEU I CD1 1 +ATOM 17442 C CD2 . LEU I 1 198 ? 43.466 82.723 128.114 1.00 17.77 ? ? ? ? ? ? 197 LEU I CD2 1 +ATOM 17443 N N . ASN I 1 199 ? 45.023 77.416 128.439 1.00 26.81 ? ? ? ? ? ? 198 ASN I N 1 +ATOM 17444 C CA . ASN I 1 199 ? 44.973 75.999 128.076 1.00 27.11 ? ? ? ? ? ? 198 ASN I CA 1 +ATOM 17445 C C . ASN I 1 199 ? 43.774 75.314 128.730 1.00 27.56 ? ? ? ? ? ? 198 ASN I C 1 +ATOM 17446 O O . ASN I 1 199 ? 43.145 74.483 128.114 1.00 27.56 ? ? ? ? ? ? 198 ASN I O 1 +ATOM 17447 C CB . ASN I 1 199 ? 46.248 75.272 128.448 1.00 26.34 ? ? ? ? ? ? 198 ASN I CB 1 +ATOM 17448 C CG . ASN I 1 199 ? 47.474 75.874 127.810 1.00 25.88 ? ? ? ? ? ? 198 ASN I CG 1 +ATOM 17449 O OD1 . ASN I 1 199 ? 47.470 76.243 126.640 1.00 25.14 ? ? ? ? ? ? 198 ASN I OD1 1 +ATOM 17450 N ND2 . ASN I 1 199 ? 48.535 75.966 128.572 1.00 24.51 ? ? ? ? ? ? 198 ASN I ND2 1 +ATOM 17451 N N . GLU I 1 200 ? 43.429 75.713 129.943 1.00 28.37 ? ? ? ? ? ? 199 GLU I N 1 +ATOM 17452 C CA . GLU I 1 200 ? 42.285 75.153 130.662 1.00 31.14 ? ? ? ? ? ? 199 GLU I CA 1 +ATOM 17453 C C . GLU I 1 200 ? 40.951 75.720 130.167 1.00 30.05 ? ? ? ? ? ? 199 GLU I C 1 +ATOM 17454 O O . GLU I 1 200 ? 39.896 75.253 130.568 1.00 29.53 ? ? ? ? ? ? 199 GLU I O 1 +ATOM 17455 C CB . GLU I 1 200 ? 42.479 75.380 132.173 1.00 30.77 ? ? ? ? ? ? 199 GLU I CB 1 +ATOM 17456 C CG . GLU I 1 200 ? 43.671 74.555 132.741 1.00 35.86 ? ? ? ? ? ? 199 GLU I CG 1 +ATOM 17457 C CD . GLU I 1 200 ? 44.386 75.194 133.969 1.00 41.30 ? ? ? ? ? ? 199 GLU I CD 1 +ATOM 17458 O OE1 . GLU I 1 200 ? 43.997 76.303 134.455 1.00 47.21 ? ? ? ? ? ? 199 GLU I OE1 1 +ATOM 17459 O OE2 . GLU I 1 200 ? 45.366 74.553 134.449 1.00 55.81 ? ? ? ? ? ? 199 GLU I OE2 1 +ATOM 17460 N N . LYS I 1 201 ? 41.031 76.743 129.314 1.00 29.92 ? ? ? ? ? ? 200 LYS I N 1 +ATOM 17461 C CA . LYS I 1 201 ? 39.887 77.388 128.654 1.00 29.78 ? ? ? ? ? ? 200 LYS I CA 1 +ATOM 17462 C C . LYS I 1 201 ? 39.040 78.263 129.576 1.00 27.62 ? ? ? ? ? ? 200 LYS I C 1 +ATOM 17463 O O . LYS I 1 201 ? 37.854 78.466 129.313 1.00 27.67 ? ? ? ? ? ? 200 LYS I O 1 +ATOM 17464 C CB . LYS I 1 201 ? 39.036 76.365 127.878 1.00 31.35 ? ? ? ? ? ? 200 LYS I CB 1 +ATOM 17465 C CG . LYS I 1 201 ? 39.902 75.515 126.951 1.00 35.82 ? ? ? ? ? ? 200 LYS I CG 1 +ATOM 17466 C CD . LYS I 1 201 ? 39.138 74.779 125.894 1.00 42.72 ? ? ? ? ? ? 200 LYS I CD 1 +ATOM 17467 C CE . LYS I 1 201 ? 40.130 74.323 124.796 1.00 50.71 ? ? ? ? ? ? 200 LYS I CE 1 +ATOM 17468 N NZ . LYS I 1 201 ? 39.474 73.582 123.665 1.00 55.29 ? ? ? ? ? ? 200 LYS I NZ 1 +ATOM 17469 N N . VAL I 1 202 ? 39.660 78.803 130.621 1.00 24.88 ? ? ? ? ? ? 201 VAL I N 1 +ATOM 17470 C CA . VAL I 1 202 ? 39.013 79.788 131.486 1.00 24.30 ? ? ? ? ? ? 201 VAL I CA 1 +ATOM 17471 C C . VAL I 1 202 ? 38.631 81.021 130.660 1.00 23.77 ? ? ? ? ? ? 201 VAL I C 1 +ATOM 17472 O O . VAL I 1 202 ? 37.554 81.601 130.847 1.00 23.06 ? ? ? ? ? ? 201 VAL I O 1 +ATOM 17473 C CB . VAL I 1 202 ? 39.935 80.194 132.614 1.00 23.78 ? ? ? ? ? ? 201 VAL I CB 1 +ATOM 17474 C CG1 . VAL I 1 202 ? 39.303 81.374 133.449 1.00 21.59 ? ? ? ? ? ? 201 VAL I CG1 1 +ATOM 17475 C CG2 . VAL I 1 202 ? 40.266 78.982 133.462 1.00 18.08 ? ? ? ? ? ? 201 VAL I CG2 1 +ATOM 17476 N N . ALA I 1 203 ? 39.520 81.394 129.735 1.00 22.32 ? ? ? ? ? ? 202 ALA I N 1 +ATOM 17477 C CA . ALA I 1 203 ? 39.234 82.394 128.717 1.00 21.13 ? ? ? ? ? ? 202 ALA I CA 1 +ATOM 17478 C C . ALA I 1 203 ? 39.759 81.917 127.351 1.00 22.06 ? ? ? ? ? ? 202 ALA I C 1 +ATOM 17479 O O . ALA I 1 203 ? 40.566 80.999 127.299 1.00 21.88 ? ? ? ? ? ? 202 ALA I O 1 +ATOM 17480 C CB . ALA I 1 203 ? 39.838 83.759 129.101 1.00 18.47 ? ? ? ? ? ? 202 ALA I CB 1 +ATOM 17481 N N . TRP I 1 204 ? 39.273 82.540 126.272 1.00 22.15 ? ? ? ? ? ? 203 TRP I N 1 +ATOM 17482 C CA . TRP I 1 204 ? 39.682 82.214 124.895 1.00 20.84 ? ? ? ? ? ? 203 TRP I CA 1 +ATOM 17483 C C . TRP I 1 204 ? 40.597 83.278 124.297 1.00 20.44 ? ? ? ? ? ? 203 TRP I C 1 +ATOM 17484 O O . TRP I 1 204 ? 40.302 84.479 124.357 1.00 19.09 ? ? ? ? ? ? 203 TRP I O 1 +ATOM 17485 C CB . TRP I 1 204 ? 38.467 82.023 123.980 1.00 21.84 ? ? ? ? ? ? 203 TRP I CB 1 +ATOM 17486 C CG . TRP I 1 204 ? 38.826 81.652 122.563 1.00 20.07 ? ? ? ? ? ? 203 TRP I CG 1 +ATOM 17487 C CD1 . TRP I 1 204 ? 39.020 80.396 122.063 1.00 22.10 ? ? ? ? ? ? 203 TRP I CD1 1 +ATOM 17488 C CD2 . TRP I 1 204 ? 39.036 82.555 121.470 1.00 18.02 ? ? ? ? ? ? 203 TRP I CD2 1 +ATOM 17489 N NE1 . TRP I 1 204 ? 39.324 80.468 120.724 1.00 23.62 ? ? ? ? ? ? 203 TRP I NE1 1 +ATOM 17490 C CE2 . TRP I 1 204 ? 39.360 81.785 120.346 1.00 20.61 ? ? ? ? ? ? 203 TRP I CE2 1 +ATOM 17491 C CE3 . TRP I 1 204 ? 38.997 83.953 121.341 1.00 22.42 ? ? ? ? ? ? 203 TRP I CE3 1 +ATOM 17492 C CZ2 . TRP I 1 204 ? 39.632 82.360 119.104 1.00 24.48 ? ? ? ? ? ? 203 TRP I CZ2 1 +ATOM 17493 C CZ3 . TRP I 1 204 ? 39.261 84.522 120.100 1.00 21.68 ? ? ? ? ? ? 203 TRP I CZ3 1 +ATOM 17494 C CH2 . TRP I 1 204 ? 39.583 83.732 119.006 1.00 21.93 ? ? ? ? ? ? 203 TRP I CH2 1 +ATOM 17495 N N . VAL I 1 205 ? 41.717 82.817 123.750 1.00 19.55 ? ? ? ? ? ? 204 VAL I N 1 +ATOM 17496 C CA . VAL I 1 205 ? 42.647 83.619 122.938 1.00 20.23 ? ? ? ? ? ? 204 VAL I CA 1 +ATOM 17497 C C . VAL I 1 205 ? 42.973 82.769 121.695 1.00 21.55 ? ? ? ? ? ? 204 VAL I C 1 +ATOM 17498 O O . VAL I 1 205 ? 43.117 81.558 121.810 1.00 21.48 ? ? ? ? ? ? 204 VAL I O 1 +ATOM 17499 C CB . VAL I 1 205 ? 43.929 83.928 123.735 1.00 20.91 ? ? ? ? ? ? 204 VAL I CB 1 +ATOM 17500 C CG1 . VAL I 1 205 ? 45.064 84.563 122.837 1.00 21.46 ? ? ? ? ? ? 204 VAL I CG1 1 +ATOM 17501 C CG2 . VAL I 1 205 ? 43.609 84.812 124.886 1.00 18.08 ? ? ? ? ? ? 204 VAL I CG2 1 +ATOM 17502 N N . PRO I 1 206 ? 43.079 83.376 120.494 1.00 21.05 ? ? ? ? ? ? 205 PRO I N 1 +ATOM 17503 C CA . PRO I 1 206 ? 43.396 82.476 119.364 1.00 22.49 ? ? ? ? ? ? 205 PRO I CA 1 +ATOM 17504 C C . PRO I 1 206 ? 44.836 81.908 119.414 1.00 22.59 ? ? ? ? ? ? 205 PRO I C 1 +ATOM 17505 O O . PRO I 1 206 ? 45.774 82.609 119.785 1.00 22.93 ? ? ? ? ? ? 205 PRO I O 1 +ATOM 17506 C CB . PRO I 1 206 ? 43.216 83.371 118.139 1.00 23.03 ? ? ? ? ? ? 205 PRO I CB 1 +ATOM 17507 C CG . PRO I 1 206 ? 43.430 84.792 118.670 1.00 21.80 ? ? ? ? ? ? 205 PRO I CG 1 +ATOM 17508 C CD . PRO I 1 206 ? 42.955 84.783 120.080 1.00 20.64 ? ? ? ? ? ? 205 PRO I CD 1 +ATOM 17509 N N . ARG I 1 207 ? 44.970 80.634 119.074 1.00 23.59 ? ? ? ? ? ? 206 ARG I N 1 +ATOM 17510 C CA . ARG I 1 207 ? 46.255 79.975 118.951 1.00 24.95 ? ? ? ? ? ? 206 ARG I CA 1 +ATOM 17511 C C . ARG I 1 207 ? 47.083 80.772 117.939 1.00 22.71 ? ? ? ? ? ? 206 ARG I C 1 +ATOM 17512 O O . ARG I 1 207 ? 46.544 81.239 116.939 1.00 21.54 ? ? ? ? ? ? 206 ARG I O 1 +ATOM 17513 C CB . ARG I 1 207 ? 46.024 78.539 118.460 1.00 24.53 ? ? ? ? ? ? 206 ARG I CB 1 +ATOM 17514 C CG . ARG I 1 207 ? 47.268 77.699 118.212 1.00 31.06 ? ? ? ? ? ? 206 ARG I CG 1 +ATOM 17515 C CD . ARG I 1 207 ? 47.024 76.379 117.416 1.00 32.08 ? ? ? ? ? ? 206 ARG I CD 1 +ATOM 17516 N NE . ARG I 1 207 ? 46.033 75.440 117.984 1.00 41.85 ? ? ? ? ? ? 206 ARG I NE 1 +ATOM 17517 C CZ . ARG I 1 207 ? 46.259 74.580 118.996 1.00 49.21 ? ? ? ? ? ? 206 ARG I CZ 1 +ATOM 17518 N NH1 . ARG I 1 207 ? 47.439 74.533 119.647 1.00 45.73 ? ? ? ? ? ? 206 ARG I NH1 1 +ATOM 17519 N NH2 . ARG I 1 207 ? 45.278 73.756 119.382 1.00 48.16 ? ? ? ? ? ? 206 ARG I NH2 1 +ATOM 17520 N N . HIS I 1 208 ? 48.378 80.936 118.194 1.00 22.36 ? ? ? ? ? ? 207 HIS I N 1 +ATOM 17521 C CA . HIS I 1 208 ? 49.270 81.532 117.218 1.00 22.33 ? ? ? ? ? ? 207 HIS I CA 1 +ATOM 17522 C C . HIS I 1 208 ? 49.996 80.424 116.470 1.00 24.13 ? ? ? ? ? ? 207 HIS I C 1 +ATOM 17523 O O . HIS I 1 208 ? 50.755 79.639 117.074 1.00 23.13 ? ? ? ? ? ? 207 HIS I O 1 +ATOM 17524 C CB . HIS I 1 208 ? 50.276 82.458 117.872 1.00 22.89 ? ? ? ? ? ? 207 HIS I CB 1 +ATOM 17525 C CG . HIS I 1 208 ? 49.669 83.682 118.458 1.00 22.05 ? ? ? ? ? ? 207 HIS I CG 1 +ATOM 17526 N ND1 . HIS I 1 208 ? 50.346 84.874 118.538 1.00 24.56 ? ? ? ? ? ? 207 HIS I ND1 1 +ATOM 17527 C CD2 . HIS I 1 208 ? 48.437 83.910 118.972 1.00 21.30 ? ? ? ? ? ? 207 HIS I CD2 1 +ATOM 17528 C CE1 . HIS I 1 208 ? 49.563 85.784 119.090 1.00 21.68 ? ? ? ? ? ? 207 HIS I CE1 1 +ATOM 17529 N NE2 . HIS I 1 208 ? 48.395 85.227 119.355 1.00 18.88 ? ? ? ? ? ? 207 HIS I NE2 1 +ATOM 17530 N N . TRP I 1 209 ? 49.770 80.380 115.160 1.00 23.67 ? ? ? ? ? ? 208 TRP I N 1 +ATOM 17531 C CA . TRP I 1 209 ? 50.255 79.287 114.346 1.00 24.18 ? ? ? ? ? ? 208 TRP I CA 1 +ATOM 17532 C C . TRP I 1 209 ? 51.753 79.233 114.261 1.00 25.27 ? ? ? ? ? ? 208 TRP I C 1 +ATOM 17533 O O . TRP I 1 209 ? 52.316 78.152 114.245 1.00 25.38 ? ? ? ? ? ? 208 TRP I O 1 +ATOM 17534 C CB . TRP I 1 209 ? 49.685 79.334 112.938 1.00 23.58 ? ? ? ? ? ? 208 TRP I CB 1 +ATOM 17535 C CG . TRP I 1 209 ? 48.827 78.158 112.571 1.00 24.19 ? ? ? ? ? ? 208 TRP I CG 1 +ATOM 17536 C CD1 . TRP I 1 209 ? 49.107 77.212 111.632 1.00 24.95 ? ? ? ? ? ? 208 TRP I CD1 1 +ATOM 17537 C CD2 . TRP I 1 209 ? 47.528 77.831 113.096 1.00 25.50 ? ? ? ? ? ? 208 TRP I CD2 1 +ATOM 17538 N NE1 . TRP I 1 209 ? 48.068 76.303 111.546 1.00 27.01 ? ? ? ? ? ? 208 TRP I NE1 1 +ATOM 17539 C CE2 . TRP I 1 209 ? 47.087 76.663 112.425 1.00 24.77 ? ? ? ? ? ? 208 TRP I CE2 1 +ATOM 17540 C CE3 . TRP I 1 209 ? 46.705 78.401 114.070 1.00 23.69 ? ? ? ? ? ? 208 TRP I CE3 1 +ATOM 17541 C CZ2 . TRP I 1 209 ? 45.865 76.065 112.693 1.00 25.18 ? ? ? ? ? ? 208 TRP I CZ2 1 +ATOM 17542 C CZ3 . TRP I 1 209 ? 45.496 77.814 114.335 1.00 26.40 ? ? ? ? ? ? 208 TRP I CZ3 1 +ATOM 17543 C CH2 . TRP I 1 209 ? 45.078 76.652 113.653 1.00 29.25 ? ? ? ? ? ? 208 TRP I CH2 1 +ATOM 17544 N N . ASP I 1 210 ? 52.394 80.386 114.259 1.00 25.55 ? ? ? ? ? ? 209 ASP I N 1 +ATOM 17545 C CA . ASP I 1 210 ? 53.842 80.459 114.163 1.00 27.94 ? ? ? ? ? ? 209 ASP I CA 1 +ATOM 17546 C C . ASP I 1 210 ? 54.582 79.984 115.422 1.00 29.22 ? ? ? ? ? ? 209 ASP I C 1 +ATOM 17547 O O . ASP I 1 210 ? 55.759 79.693 115.350 1.00 29.39 ? ? ? ? ? ? 209 ASP I O 1 +ATOM 17548 C CB . ASP I 1 210 ? 54.285 81.888 113.795 1.00 27.85 ? ? ? ? ? ? 209 ASP I CB 1 +ATOM 17549 C CG . ASP I 1 210 ? 53.873 82.953 114.838 1.00 28.77 ? ? ? ? ? ? 209 ASP I CG 1 +ATOM 17550 O OD1 . ASP I 1 210 ? 52.728 82.924 115.319 1.00 25.85 ? ? ? ? ? ? 209 ASP I OD1 1 +ATOM 17551 O OD2 . ASP I 1 210 ? 54.702 83.841 115.149 1.00 33.93 ? ? ? ? ? ? 209 ASP I OD2 1 +ATOM 17552 N N . LYS I 1 211 ? 53.910 79.964 116.570 1.00 29.56 ? ? ? ? ? ? 210 LYS I N 1 +ATOM 17553 C CA . LYS I 1 211 ? 54.485 79.481 117.823 1.00 29.62 ? ? ? ? ? ? 210 LYS I CA 1 +ATOM 17554 C C . LYS I 1 211 ? 53.951 78.105 118.216 1.00 30.05 ? ? ? ? ? ? 210 LYS I C 1 +ATOM 17555 O O . LYS I 1 211 ? 54.640 77.356 118.910 1.00 31.73 ? ? ? ? ? ? 210 LYS I O 1 +ATOM 17556 C CB . LYS I 1 211 ? 54.182 80.446 118.952 1.00 30.67 ? ? ? ? ? ? 210 LYS I CB 1 +ATOM 17557 C CG . LYS I 1 211 ? 54.380 81.924 118.648 1.00 33.23 ? ? ? ? ? ? 210 LYS I CG 1 +ATOM 17558 C CD . LYS I 1 211 ? 55.780 82.451 118.925 1.00 40.20 ? ? ? ? ? ? 210 LYS I CD 1 +ATOM 17559 C CE . LYS I 1 211 ? 55.833 83.965 118.712 1.00 43.40 ? ? ? ? ? ? 210 LYS I CE 1 +ATOM 17560 N NZ . LYS I 1 211 ? 54.597 84.694 119.191 1.00 49.60 ? ? ? ? ? ? 210 LYS I NZ 1 +ATOM 17561 N N . ALA I 1 212 ? 52.743 77.771 117.756 1.00 28.95 ? ? ? ? ? ? 211 ALA I N 1 +ATOM 17562 C CA . ALA I 1 212 ? 51.999 76.601 118.170 1.00 28.77 ? ? ? ? ? ? 211 ALA I CA 1 +ATOM 17563 C C . ALA I 1 212 ? 52.158 75.390 117.253 1.00 30.31 ? ? ? ? ? ? 211 ALA I C 1 +ATOM 17564 O O . ALA I 1 212 ? 51.944 74.273 117.702 1.00 31.83 ? ? ? ? ? ? 211 ALA I O 1 +ATOM 17565 C CB . ALA I 1 212 ? 50.521 76.957 118.224 1.00 28.79 ? ? ? ? ? ? 211 ALA I CB 1 +ATOM 17566 N N . THR I 1 213 ? 52.488 75.611 115.976 1.00 30.25 ? ? ? ? ? ? 212 THR I N 1 +ATOM 17567 C CA A THR I 1 213 ? 52.525 74.571 114.932 0.50 29.45 ? ? ? ? ? ? 212 THR I CA 1 +ATOM 17568 C CA B THR I 1 213 ? 52.595 74.503 115.035 0.50 31.43 ? ? ? ? ? ? 212 THR I CA 1 +ATOM 17569 C C . THR I 1 213 ? 53.866 74.614 114.172 1.00 32.23 ? ? ? ? ? ? 212 THR I C 1 +ATOM 17570 O O . THR I 1 213 ? 54.481 75.676 114.061 1.00 35.01 ? ? ? ? ? ? 212 THR I O 1 +ATOM 17571 C CB A THR I 1 213 ? 51.407 74.793 113.887 0.50 28.10 ? ? ? ? ? ? 212 THR I CB 1 +ATOM 17572 C CB B THR I 1 213 ? 51.322 74.369 114.190 0.50 30.11 ? ? ? ? ? ? 212 THR I CB 1 +ATOM 17573 O OG1 A THR I 1 213 ? 51.709 75.953 113.091 0.50 22.85 ? ? ? ? ? ? 212 THR I OG1 1 +ATOM 17574 O OG1 B THR I 1 213 ? 51.276 73.061 113.600 0.50 36.37 ? ? ? ? ? ? 212 THR I OG1 1 +ATOM 17575 C CG2 A THR I 1 213 ? 50.052 74.969 114.546 0.50 24.21 ? ? ? ? ? ? 212 THR I CG2 1 +ATOM 17576 C CG2 B THR I 1 213 ? 51.277 75.432 113.122 0.50 31.32 ? ? ? ? ? ? 212 THR I CG2 1 +ATOM 17577 N N . VAL I 1 214 ? 54.301 73.480 113.644 1.00 32.44 ? ? ? ? ? ? 213 VAL I N 1 +ATOM 17578 C CA . VAL I 1 214 ? 55.507 73.406 112.813 1.00 33.21 ? ? ? ? ? ? 213 VAL I CA 1 +ATOM 17579 C C . VAL I 1 214 ? 55.118 73.265 111.328 1.00 31.47 ? ? ? ? ? ? 213 VAL I C 1 +ATOM 17580 O O . VAL I 1 214 ? 55.616 74.014 110.484 1.00 31.88 ? ? ? ? ? ? 213 VAL I O 1 +ATOM 17581 C CB . VAL I 1 214 ? 56.452 72.244 113.241 1.00 34.47 ? ? ? ? ? ? 213 VAL I CB 1 +ATOM 17582 C CG1 . VAL I 1 214 ? 57.573 72.090 112.249 1.00 35.07 ? ? ? ? ? ? 213 VAL I CG1 1 +ATOM 17583 C CG2 . VAL I 1 214 ? 56.999 72.486 114.650 1.00 34.72 ? ? ? ? ? ? 213 VAL I CG2 1 +ATOM 17584 N N . ASP I 1 215 ? 54.217 72.333 111.019 1.00 28.66 ? ? ? ? ? ? 214 ASP I N 1 +ATOM 17585 C CA . ASP I 1 215 ? 53.839 72.018 109.606 1.00 29.01 ? ? ? ? ? ? 214 ASP I CA 1 +ATOM 17586 C C . ASP I 1 215 ? 52.504 72.641 109.193 1.00 27.25 ? ? ? ? ? ? 214 ASP I C 1 +ATOM 17587 O O . ASP I 1 215 ? 52.019 72.411 108.086 1.00 26.06 ? ? ? ? ? ? 214 ASP I O 1 +ATOM 17588 C CB . ASP I 1 215 ? 53.830 70.484 109.344 1.00 27.40 ? ? ? ? ? ? 214 ASP I CB 1 +ATOM 17589 C CG . ASP I 1 215 ? 53.030 69.699 110.394 1.00 31.36 ? ? ? ? ? ? 214 ASP I CG 1 +ATOM 17590 O OD1 . ASP I 1 215 ? 51.916 70.131 110.725 1.00 31.06 ? ? ? ? ? ? 214 ASP I OD1 1 +ATOM 17591 O OD2 . ASP I 1 215 ? 53.506 68.649 110.895 1.00 32.15 ? ? ? ? ? ? 214 ASP I OD2 1 +ATOM 17592 N N . SER I 1 216 ? 51.943 73.442 110.102 1.00 26.04 ? ? ? ? ? ? 215 SER I N 1 +ATOM 17593 C CA . SER I 1 216 ? 50.633 74.077 109.990 1.00 25.60 ? ? ? ? ? ? 215 SER I CA 1 +ATOM 17594 C C . SER I 1 216 ? 49.467 73.177 110.381 1.00 25.51 ? ? ? ? ? ? 215 SER I C 1 +ATOM 17595 O O . SER I 1 216 ? 48.357 73.662 110.458 1.00 27.38 ? ? ? ? ? ? 215 SER I O 1 +ATOM 17596 C CB . SER I 1 216 ? 50.379 74.730 108.611 1.00 25.77 ? ? ? ? ? ? 215 SER I CB 1 +ATOM 17597 O OG . SER I 1 216 ? 49.736 73.829 107.721 1.00 24.20 ? ? ? ? ? ? 215 SER I OG 1 +ATOM 17598 N N . GLY I 1 217 ? 49.685 71.901 110.644 1.00 23.66 ? ? ? ? ? ? 216 GLY I N 1 +ATOM 17599 C CA . GLY I 1 217 ? 48.627 71.070 111.187 1.00 22.65 ? ? ? ? ? ? 216 GLY I CA 1 +ATOM 17600 C C . GLY I 1 217 ? 48.563 71.051 112.720 1.00 22.49 ? ? ? ? ? ? 216 GLY I C 1 +ATOM 17601 O O . GLY I 1 217 ? 49.528 71.372 113.428 1.00 21.67 ? ? ? ? ? ? 216 GLY I O 1 +ATOM 17602 N N . VAL I 1 218 ? 47.392 70.700 113.220 1.00 22.90 ? ? ? ? ? ? 217 VAL I N 1 +ATOM 17603 C CA . VAL I 1 218 ? 47.171 70.520 114.631 1.00 24.21 ? ? ? ? ? ? 217 VAL I CA 1 +ATOM 17604 C C . VAL I 1 218 ? 46.506 69.147 114.837 1.00 24.71 ? ? ? ? ? ? 217 VAL I C 1 +ATOM 17605 O O . VAL I 1 218 ? 45.273 69.004 114.774 1.00 23.72 ? ? ? ? ? ? 217 VAL I O 1 +ATOM 17606 C CB . VAL I 1 218 ? 46.331 71.643 115.224 1.00 23.05 ? ? ? ? ? ? 217 VAL I CB 1 +ATOM 17607 C CG1 . VAL I 1 218 ? 46.191 71.424 116.713 1.00 22.38 ? ? ? ? ? ? 217 VAL I CG1 1 +ATOM 17608 C CG2 . VAL I 1 218 ? 46.998 72.998 114.936 1.00 25.05 ? ? ? ? ? ? 217 VAL I CG2 1 +ATOM 17609 N N . GLY I 1 219 ? 47.351 68.143 115.064 1.00 25.22 ? ? ? ? ? ? 218 GLY I N 1 +ATOM 17610 C CA . GLY I 1 219 ? 46.898 66.759 115.245 1.00 25.84 ? ? ? ? ? ? 218 GLY I CA 1 +ATOM 17611 C C . GLY I 1 219 ? 47.564 65.871 114.218 1.00 26.49 ? ? ? ? ? ? 218 GLY I C 1 +ATOM 17612 O O . GLY I 1 219 ? 47.746 66.267 113.065 1.00 26.21 ? ? ? ? ? ? 218 GLY I O 1 +ATOM 17613 N N . ASN I 1 220 ? 47.943 64.668 114.649 1.00 27.35 ? ? ? ? ? ? 219 ASN I N 1 +ATOM 17614 C CA . ASN I 1 220 ? 48.673 63.722 113.803 1.00 26.47 ? ? ? ? ? ? 219 ASN I CA 1 +ATOM 17615 C C . ASN I 1 220 ? 47.666 62.982 112.932 1.00 24.23 ? ? ? ? ? ? 219 ASN I C 1 +ATOM 17616 O O . ASN I 1 220 ? 46.781 62.303 113.478 1.00 25.54 ? ? ? ? ? ? 219 ASN I O 1 +ATOM 17617 C CB . ASN I 1 220 ? 49.465 62.739 114.689 1.00 26.53 ? ? ? ? ? ? 219 ASN I CB 1 +ATOM 17618 C CG . ASN I 1 220 ? 50.419 61.895 113.892 1.00 31.21 ? ? ? ? ? ? 219 ASN I CG 1 +ATOM 17619 O OD1 . ASN I 1 220 ? 50.177 61.618 112.710 1.00 31.75 ? ? ? ? ? ? 219 ASN I OD1 1 +ATOM 17620 N ND2 . ASN I 1 220 ? 51.522 61.492 114.516 1.00 22.43 ? ? ? ? ? ? 219 ASN I ND2 1 +ATOM 17621 N N . PRO I 1 221 ? 47.758 63.138 111.589 1.00 23.32 ? ? ? ? ? ? 220 PRO I N 1 +ATOM 17622 C CA . PRO I 1 221 ? 46.800 62.527 110.659 1.00 24.83 ? ? ? ? ? ? 220 PRO I CA 1 +ATOM 17623 C C . PRO I 1 221 ? 47.146 61.098 110.204 1.00 25.92 ? ? ? ? ? ? 220 PRO I C 1 +ATOM 17624 O O . PRO I 1 221 ? 46.409 60.502 109.401 1.00 24.04 ? ? ? ? ? ? 220 PRO I O 1 +ATOM 17625 C CB . PRO I 1 221 ? 46.895 63.443 109.454 1.00 24.68 ? ? ? ? ? ? 220 PRO I CB 1 +ATOM 17626 C CG . PRO I 1 221 ? 48.362 63.794 109.413 1.00 19.46 ? ? ? ? ? ? 220 PRO I CG 1 +ATOM 17627 C CD . PRO I 1 221 ? 48.762 63.954 110.850 1.00 23.61 ? ? ? ? ? ? 220 PRO I CD 1 +ATOM 17628 N N . LYS I 1 222 ? 48.255 60.570 110.715 1.00 27.72 ? ? ? ? ? ? 221 LYS I N 1 +ATOM 17629 C CA . LYS I 1 222 ? 48.915 59.439 110.076 1.00 29.34 ? ? ? ? ? ? 221 LYS I CA 1 +ATOM 17630 C C . LYS I 1 222 ? 48.146 58.109 110.124 1.00 27.17 ? ? ? ? ? ? 221 LYS I C 1 +ATOM 17631 O O . LYS I 1 222 ? 48.470 57.206 109.381 1.00 27.53 ? ? ? ? ? ? 221 LYS I O 1 +ATOM 17632 C CB . LYS I 1 222 ? 50.350 59.326 110.610 1.00 30.68 ? ? ? ? ? ? 221 LYS I CB 1 +ATOM 17633 C CG . LYS I 1 222 ? 51.270 60.496 110.063 1.00 39.70 ? ? ? ? ? ? 221 LYS I CG 1 +ATOM 17634 C CD . LYS I 1 222 ? 52.800 60.383 110.406 1.00 37.57 ? ? ? ? ? ? 221 LYS I CD 1 +ATOM 17635 C CE . LYS I 1 222 ? 53.611 61.422 109.598 1.00 40.41 ? ? ? ? ? ? 221 LYS I CE 1 +ATOM 17636 N NZ . LYS I 1 222 ? 55.086 61.429 109.882 1.00 42.95 ? ? ? ? ? ? 221 LYS I NZ 1 +ATOM 17637 N N . LYS I 1 223 ? 47.126 57.987 110.976 1.00 26.98 ? ? ? ? ? ? 222 LYS I N 1 +ATOM 17638 C CA . LYS I 1 223 ? 46.261 56.804 110.967 1.00 26.77 ? ? ? ? ? ? 222 LYS I CA 1 +ATOM 17639 C C . LYS I 1 223 ? 44.960 57.002 110.170 1.00 25.37 ? ? ? ? ? ? 222 LYS I C 1 +ATOM 17640 O O . LYS I 1 223 ? 44.029 56.184 110.257 1.00 24.40 ? ? ? ? ? ? 222 LYS I O 1 +ATOM 17641 C CB . LYS I 1 223 ? 45.946 56.386 112.398 1.00 30.47 ? ? ? ? ? ? 222 LYS I CB 1 +ATOM 17642 C CG . LYS I 1 223 ? 47.194 56.279 113.292 1.00 32.84 ? ? ? ? ? ? 222 LYS I CG 1 +ATOM 17643 C CD . LYS I 1 223 ? 46.997 55.236 114.363 1.00 43.51 ? ? ? ? ? ? 222 LYS I CD 1 +ATOM 17644 C CE . LYS I 1 223 ? 48.267 55.034 115.202 1.00 48.39 ? ? ? ? ? ? 222 LYS I CE 1 +ATOM 17645 N NZ . LYS I 1 223 ? 47.962 54.311 116.486 1.00 52.18 ? ? ? ? ? ? 222 LYS I NZ 1 +ATOM 17646 N N . ALA I 1 224 ? 44.895 58.087 109.393 1.00 24.33 ? ? ? ? ? ? 223 ALA I N 1 +ATOM 17647 C CA . ALA I 1 224 ? 43.703 58.378 108.566 1.00 22.81 ? ? ? ? ? ? 223 ALA I CA 1 +ATOM 17648 C C . ALA I 1 224 ? 43.521 57.299 107.500 1.00 23.03 ? ? ? ? ? ? 223 ALA I C 1 +ATOM 17649 O O . ALA I 1 224 ? 44.501 56.758 106.965 1.00 22.74 ? ? ? ? ? ? 223 ALA I O 1 +ATOM 17650 C CB . ALA I 1 224 ? 43.831 59.750 107.891 1.00 20.26 ? ? ? ? ? ? 223 ALA I CB 1 +ATOM 17651 N N . THR I 1 225 ? 42.270 56.996 107.180 1.00 22.30 ? ? ? ? ? ? 224 THR I N 1 +ATOM 17652 C CA . THR I 1 225 ? 41.959 56.074 106.086 1.00 22.39 ? ? ? ? ? ? 224 THR I CA 1 +ATOM 17653 C C . THR I 1 225 ? 40.637 56.504 105.448 1.00 21.79 ? ? ? ? ? ? 224 THR I C 1 +ATOM 17654 O O . THR I 1 225 ? 39.782 57.070 106.116 1.00 21.50 ? ? ? ? ? ? 224 THR I O 1 +ATOM 17655 C CB . THR I 1 225 ? 41.817 54.579 106.574 1.00 23.34 ? ? ? ? ? ? 224 THR I CB 1 +ATOM 17656 O OG1 . THR I 1 225 ? 40.637 54.451 107.366 1.00 24.08 ? ? ? ? ? ? 224 THR I OG1 1 +ATOM 17657 C CG2 . THR I 1 225 ? 43.037 54.078 107.403 1.00 21.15 ? ? ? ? ? ? 224 THR I CG2 1 +ATOM 17658 N N . ALA I 1 226 ? 40.472 56.235 104.156 1.00 21.81 ? ? ? ? ? ? 225 ALA I N 1 +ATOM 17659 C CA . ALA I 1 226 ? 39.221 56.485 103.450 1.00 21.39 ? ? ? ? ? ? 225 ALA I CA 1 +ATOM 17660 C C . ALA I 1 226 ? 38.044 55.797 104.131 1.00 24.29 ? ? ? ? ? ? 225 ALA I C 1 +ATOM 17661 O O . ALA I 1 226 ? 36.951 56.382 104.231 1.00 24.24 ? ? ? ? ? ? 225 ALA I O 1 +ATOM 17662 C CB . ALA I 1 226 ? 39.334 56.016 102.036 1.00 21.36 ? ? ? ? ? ? 225 ALA I CB 1 +ATOM 17663 N N . GLU I 1 227 ? 38.254 54.561 104.602 1.00 25.83 ? ? ? ? ? ? 226 GLU I N 1 +ATOM 17664 C CA . GLU I 1 227 ? 37.171 53.797 105.223 1.00 27.05 ? ? ? ? ? ? 226 GLU I CA 1 +ATOM 17665 C C . GLU I 1 227 ? 36.697 54.463 106.511 1.00 24.06 ? ? ? ? ? ? 226 GLU I C 1 +ATOM 17666 O O . GLU I 1 227 ? 35.527 54.442 106.804 1.00 23.47 ? ? ? ? ? ? 226 GLU I O 1 +ATOM 17667 C CB . GLU I 1 227 ? 37.574 52.347 105.520 1.00 25.06 ? ? ? ? ? ? 226 GLU I CB 1 +ATOM 17668 C CG . GLU I 1 227 ? 37.329 51.389 104.370 1.00 37.20 ? ? ? ? ? ? 226 GLU I CG 1 +ATOM 17669 C CD . GLU I 1 227 ? 37.462 49.902 104.768 1.00 38.38 ? ? ? ? ? ? 226 GLU I CD 1 +ATOM 17670 O OE1 . GLU I 1 227 ? 37.280 49.570 105.983 1.00 50.96 ? ? ? ? ? ? 226 GLU I OE1 1 +ATOM 17671 O OE2 . GLU I 1 227 ? 37.750 49.077 103.852 1.00 45.80 ? ? ? ? ? ? 226 GLU I OE2 1 +ATOM 17672 N N . LYS I 1 228 ? 37.624 55.021 107.289 1.00 23.34 ? ? ? ? ? ? 227 LYS I N 1 +ATOM 17673 C CA . LYS I 1 228 ? 37.260 55.795 108.490 1.00 23.97 ? ? ? ? ? ? 227 LYS I CA 1 +ATOM 17674 C C . LYS I 1 228 ? 36.445 57.057 108.145 1.00 23.25 ? ? ? ? ? ? 227 LYS I C 1 +ATOM 17675 O O . LYS I 1 228 ? 35.519 57.402 108.860 1.00 23.64 ? ? ? ? ? ? 227 LYS I O 1 +ATOM 17676 C CB . LYS I 1 228 ? 38.517 56.212 109.244 1.00 24.28 ? ? ? ? ? ? 227 LYS I CB 1 +ATOM 17677 C CG . LYS I 1 228 ? 39.146 55.169 110.128 1.00 25.48 ? ? ? ? ? ? 227 LYS I CG 1 +ATOM 17678 C CD . LYS I 1 228 ? 40.502 55.715 110.616 1.00 25.48 ? ? ? ? ? ? 227 LYS I CD 1 +ATOM 17679 C CE . LYS I 1 228 ? 41.085 54.878 111.731 1.00 26.56 ? ? ? ? ? ? 227 LYS I CE 1 +ATOM 17680 N NZ . LYS I 1 228 ? 42.432 55.334 112.094 1.00 26.16 ? ? ? ? ? ? 227 LYS I NZ 1 +ATOM 17681 N N . GLY I 1 229 ? 36.802 57.718 107.041 1.00 23.27 ? ? ? ? ? ? 228 GLY I N 1 +ATOM 17682 C CA . GLY I 1 229 ? 36.071 58.893 106.547 1.00 23.10 ? ? ? ? ? ? 228 GLY I CA 1 +ATOM 17683 C C . GLY I 1 229 ? 34.678 58.559 106.083 1.00 23.49 ? ? ? ? ? ? 228 GLY I C 1 +ATOM 17684 O O . GLY I 1 229 ? 33.698 59.222 106.434 1.00 23.46 ? ? ? ? ? ? 228 GLY I O 1 +ATOM 17685 N N . GLU I 1 230 ? 34.579 57.500 105.304 1.00 24.85 ? ? ? ? ? ? 229 GLU I N 1 +ATOM 17686 C CA . GLU I 1 230 ? 33.292 57.032 104.857 1.00 26.79 ? ? ? ? ? ? 229 GLU I CA 1 +ATOM 17687 C C . GLU I 1 230 ? 32.324 56.750 106.023 1.00 25.52 ? ? ? ? ? ? 229 GLU I C 1 +ATOM 17688 O O . GLU I 1 230 ? 31.173 57.175 105.993 1.00 24.89 ? ? ? ? ? ? 229 GLU I O 1 +ATOM 17689 C CB . GLU I 1 230 ? 33.491 55.780 104.011 1.00 27.56 ? ? ? ? ? ? 229 GLU I CB 1 +ATOM 17690 C CG . GLU I 1 230 ? 32.218 55.229 103.412 1.00 30.40 ? ? ? ? ? ? 229 GLU I CG 1 +ATOM 17691 C CD . GLU I 1 230 ? 32.502 54.061 102.475 1.00 36.11 ? ? ? ? ? ? 229 GLU I CD 1 +ATOM 17692 O OE1 . GLU I 1 230 ? 33.249 53.127 102.887 1.00 45.70 ? ? ? ? ? ? 229 GLU I OE1 1 +ATOM 17693 O OE2 . GLU I 1 230 ? 31.986 54.098 101.332 1.00 49.19 ? ? ? ? ? ? 229 GLU I OE2 1 +ATOM 17694 N N . ARG I 1 231 ? 32.789 56.024 107.041 1.00 25.25 ? ? ? ? ? ? 230 ARG I N 1 +ATOM 17695 C CA . ARG I 1 231 ? 31.932 55.694 108.209 1.00 26.14 ? ? ? ? ? ? 230 ARG I CA 1 +ATOM 17696 C C . ARG I 1 231 ? 31.577 56.925 109.041 1.00 24.74 ? ? ? ? ? ? 230 ARG I C 1 +ATOM 17697 O O . ARG I 1 231 ? 30.540 56.974 109.658 1.00 25.30 ? ? ? ? ? ? 230 ARG I O 1 +ATOM 17698 C CB . ARG I 1 231 ? 32.611 54.667 109.154 1.00 28.29 ? ? ? ? ? ? 230 ARG I CB 1 +ATOM 17699 C CG . ARG I 1 231 ? 32.710 53.240 108.586 1.00 26.90 ? ? ? ? ? ? 230 ARG I CG 1 +ATOM 17700 C CD . ARG I 1 231 ? 32.952 52.198 109.699 1.00 24.79 ? ? ? ? ? ? 230 ARG I CD 1 +ATOM 17701 N NE . ARG I 1 231 ? 34.292 52.336 110.279 1.00 21.71 ? ? ? ? ? ? 230 ARG I NE 1 +ATOM 17702 C CZ . ARG I 1 231 ? 35.391 51.856 109.716 1.00 31.98 ? ? ? ? ? ? 230 ARG I CZ 1 +ATOM 17703 N NH1 . ARG I 1 231 ? 35.322 51.173 108.573 1.00 35.30 ? ? ? ? ? ? 230 ARG I NH1 1 +ATOM 17704 N NH2 . ARG I 1 231 ? 36.578 52.060 110.300 1.00 35.05 ? ? ? ? ? ? 230 ARG I NH2 1 +ATOM 17705 N N . TYR I 1 232 ? 32.459 57.911 109.078 1.00 23.55 ? ? ? ? ? ? 231 TYR I N 1 +ATOM 17706 C CA . TYR I 1 232 ? 32.156 59.168 109.808 1.00 22.92 ? ? ? ? ? ? 231 TYR I CA 1 +ATOM 17707 C C . TYR I 1 232 ? 31.112 60.030 109.073 1.00 22.35 ? ? ? ? ? ? 231 TYR I C 1 +ATOM 17708 O O . TYR I 1 232 ? 30.183 60.553 109.701 1.00 24.87 ? ? ? ? ? ? 231 TYR I O 1 +ATOM 17709 C CB . TYR I 1 232 ? 33.451 59.948 110.084 1.00 23.32 ? ? ? ? ? ? 231 TYR I CB 1 +ATOM 17710 C CG . TYR I 1 232 ? 33.303 61.233 110.904 1.00 24.35 ? ? ? ? ? ? 231 TYR I CG 1 +ATOM 17711 C CD1 . TYR I 1 232 ? 32.491 61.295 112.042 1.00 20.46 ? ? ? ? ? ? 231 TYR I CD1 1 +ATOM 17712 C CD2 . TYR I 1 232 ? 33.969 62.384 110.521 1.00 21.37 ? ? ? ? ? ? 231 TYR I CD2 1 +ATOM 17713 C CE1 . TYR I 1 232 ? 32.362 62.483 112.758 1.00 23.84 ? ? ? ? ? ? 231 TYR I CE1 1 +ATOM 17714 C CE2 . TYR I 1 232 ? 33.846 63.565 111.227 1.00 19.69 ? ? ? ? ? ? 231 TYR I CE2 1 +ATOM 17715 C CZ . TYR I 1 232 ? 33.061 63.620 112.344 1.00 21.73 ? ? ? ? ? ? 231 TYR I CZ 1 +ATOM 17716 O OH . TYR I 1 232 ? 32.985 64.818 113.026 1.00 22.09 ? ? ? ? ? ? 231 TYR I OH 1 +ATOM 17717 N N . VAL I 1 233 ? 31.233 60.182 107.751 1.00 22.56 ? ? ? ? ? ? 232 VAL I N 1 +ATOM 17718 C CA . VAL I 1 233 ? 30.342 61.111 107.061 1.00 22.36 ? ? ? ? ? ? 232 VAL I CA 1 +ATOM 17719 C C . VAL I 1 233 ? 28.947 60.551 106.845 1.00 23.37 ? ? ? ? ? ? 232 VAL I C 1 +ATOM 17720 O O . VAL I 1 233 ? 28.043 61.326 106.659 1.00 22.81 ? ? ? ? ? ? 232 VAL I O 1 +ATOM 17721 C CB . VAL I 1 233 ? 30.891 61.632 105.725 1.00 23.64 ? ? ? ? ? ? 232 VAL I CB 1 +ATOM 17722 C CG1 . VAL I 1 233 ? 32.131 62.586 105.965 1.00 25.59 ? ? ? ? ? ? 232 VAL I CG1 1 +ATOM 17723 C CG2 . VAL I 1 233 ? 31.188 60.497 104.785 1.00 23.15 ? ? ? ? ? ? 232 VAL I CG2 1 +ATOM 17724 N N . LYS I 1 234 ? 28.778 59.218 106.906 1.00 23.72 ? ? ? ? ? ? 233 LYS I N 1 +ATOM 17725 C CA . LYS I 1 234 ? 27.455 58.610 106.725 1.00 26.27 ? ? ? ? ? ? 233 LYS I CA 1 +ATOM 17726 C C . LYS I 1 234 ? 26.366 59.147 107.672 1.00 22.69 ? ? ? ? ? ? 233 LYS I C 1 +ATOM 17727 O O . LYS I 1 234 ? 25.331 59.594 107.185 1.00 24.14 ? ? ? ? ? ? 233 LYS I O 1 +ATOM 17728 C CB . LYS I 1 234 ? 27.486 57.065 106.750 1.00 26.83 ? ? ? ? ? ? 233 LYS I CB 1 +ATOM 17729 C CG . LYS I 1 234 ? 26.229 56.492 106.052 1.00 35.36 ? ? ? ? ? ? 233 LYS I CG 1 +ATOM 17730 C CD . LYS I 1 234 ? 26.300 55.005 105.681 1.00 34.94 ? ? ? ? ? ? 233 LYS I CD 1 +ATOM 17731 C CE . LYS I 1 234 ? 25.171 54.648 104.678 1.00 43.62 ? ? ? ? ? ? 233 LYS I CE 1 +ATOM 17732 N NZ . LYS I 1 234 ? 25.349 55.225 103.276 1.00 46.19 ? ? ? ? ? ? 233 LYS I NZ 1 +ATOM 17733 N N . PRO I 1 235 ? 26.584 59.103 109.009 1.00 21.64 ? ? ? ? ? ? 234 PRO I N 1 +ATOM 17734 C CA . PRO I 1 235 ? 25.630 59.714 109.925 1.00 21.88 ? ? ? ? ? ? 234 PRO I CA 1 +ATOM 17735 C C . PRO I 1 235 ? 25.593 61.247 109.846 1.00 20.89 ? ? ? ? ? ? 234 PRO I C 1 +ATOM 17736 O O . PRO I 1 235 ? 24.556 61.836 110.136 1.00 21.12 ? ? ? ? ? ? 234 PRO I O 1 +ATOM 17737 C CB . PRO I 1 235 ? 26.110 59.246 111.291 1.00 20.45 ? ? ? ? ? ? 234 PRO I CB 1 +ATOM 17738 C CG . PRO I 1 235 ? 27.573 59.018 111.116 1.00 21.76 ? ? ? ? ? ? 234 PRO I CG 1 +ATOM 17739 C CD . PRO I 1 235 ? 27.714 58.487 109.743 1.00 22.93 ? ? ? ? ? ? 234 PRO I CD 1 +ATOM 17740 N N . ILE I 1 236 ? 26.690 61.886 109.451 1.00 21.35 ? ? ? ? ? ? 235 ILE I N 1 +ATOM 17741 C CA . ILE I 1 236 ? 26.660 63.345 109.208 1.00 20.75 ? ? ? ? ? ? 235 ILE I CA 1 +ATOM 17742 C C . ILE I 1 236 ? 25.674 63.719 108.048 1.00 20.69 ? ? ? ? ? ? 235 ILE I C 1 +ATOM 17743 O O . ILE I 1 236 ? 24.804 64.556 108.224 1.00 21.96 ? ? ? ? ? ? 235 ILE I O 1 +ATOM 17744 C CB . ILE I 1 236 ? 28.064 63.909 108.920 1.00 21.10 ? ? ? ? ? ? 235 ILE I CB 1 +ATOM 17745 C CG1 . ILE I 1 236 ? 28.961 63.748 110.167 1.00 20.64 ? ? ? ? ? ? 235 ILE I CG1 1 +ATOM 17746 C CG2 . ILE I 1 236 ? 27.934 65.385 108.469 1.00 19.00 ? ? ? ? ? ? 235 ILE I CG2 1 +ATOM 17747 C CD1 . ILE I 1 236 ? 30.411 64.100 109.930 1.00 17.36 ? ? ? ? ? ? 235 ILE I CD1 1 +ATOM 17748 N N . VAL I 1 237 ? 25.831 63.085 106.886 1.00 19.82 ? ? ? ? ? ? 236 VAL I N 1 +ATOM 17749 C CA . VAL I 1 237 ? 24.915 63.263 105.742 1.00 20.22 ? ? ? ? ? ? 236 VAL I CA 1 +ATOM 17750 C C . VAL I 1 237 ? 23.460 62.965 106.132 1.00 21.69 ? ? ? ? ? ? 236 VAL I C 1 +ATOM 17751 O O . VAL I 1 237 ? 22.542 63.735 105.786 1.00 22.33 ? ? ? ? ? ? 236 VAL I O 1 +ATOM 17752 C CB . VAL I 1 237 ? 25.350 62.383 104.515 1.00 19.72 ? ? ? ? ? ? 236 VAL I CB 1 +ATOM 17753 C CG1 . VAL I 1 237 ? 24.241 62.232 103.447 1.00 19.29 ? ? ? ? ? ? 236 VAL I CG1 1 +ATOM 17754 C CG2 . VAL I 1 237 ? 26.649 62.926 103.866 1.00 18.98 ? ? ? ? ? ? 236 VAL I CG2 1 +ATOM 17755 N N . GLU I 1 238 ? 23.256 61.885 106.883 1.00 22.53 ? ? ? ? ? ? 237 GLU I N 1 +ATOM 17756 C CA . GLU I 1 238 ? 21.936 61.475 107.288 1.00 23.15 ? ? ? ? ? ? 237 GLU I CA 1 +ATOM 17757 C C . GLU I 1 238 ? 21.291 62.517 108.185 1.00 21.85 ? ? ? ? ? ? 237 GLU I C 1 +ATOM 17758 O O . GLU I 1 238 ? 20.162 62.901 107.935 1.00 21.93 ? ? ? ? ? ? 237 GLU I O 1 +ATOM 17759 C CB . GLU I 1 238 ? 21.995 60.114 107.995 1.00 26.32 ? ? ? ? ? ? 237 GLU I CB 1 +ATOM 17760 C CG . GLU I 1 238 ? 20.660 59.360 108.063 1.00 31.47 ? ? ? ? ? ? 237 GLU I CG 1 +ATOM 17761 C CD . GLU I 1 238 ? 19.700 59.983 109.058 1.00 38.92 ? ? ? ? ? ? 237 GLU I CD 1 +ATOM 17762 O OE1 . GLU I 1 238 ? 20.139 60.381 110.175 1.00 43.29 ? ? ? ? ? ? 237 GLU I OE1 1 +ATOM 17763 O OE2 . GLU I 1 238 ? 18.507 60.087 108.717 1.00 38.53 ? ? ? ? ? ? 237 GLU I OE2 1 +ATOM 17764 N N . LYS I 1 239 ? 22.028 62.993 109.191 1.00 21.94 ? ? ? ? ? ? 238 LYS I N 1 +ATOM 17765 C CA . LYS I 1 239 ? 21.564 64.078 110.078 1.00 23.46 ? ? ? ? ? ? 238 LYS I CA 1 +ATOM 17766 C C . LYS I 1 239 ? 21.261 65.434 109.382 1.00 22.18 ? ? ? ? ? ? 238 LYS I C 1 +ATOM 17767 O O . LYS I 1 239 ? 20.262 66.092 109.686 1.00 21.85 ? ? ? ? ? ? 238 LYS I O 1 +ATOM 17768 C CB . LYS I 1 239 ? 22.563 64.289 111.229 1.00 22.61 ? ? ? ? ? ? 238 LYS I CB 1 +ATOM 17769 C CG . LYS I 1 239 ? 22.201 63.570 112.543 1.00 28.83 ? ? ? ? ? ? 238 LYS I CG 1 +ATOM 17770 C CD . LYS I 1 239 ? 23.374 63.685 113.537 1.00 33.53 ? ? ? ? ? ? 238 LYS I CD 1 +ATOM 17771 C CE . LYS I 1 239 ? 23.047 63.304 115.003 1.00 44.37 ? ? ? ? ? ? 238 LYS I CE 1 +ATOM 17772 N NZ . LYS I 1 239 ? 21.582 63.514 115.385 1.00 49.24 ? ? ? ? ? ? 238 LYS I NZ 1 +ATOM 17773 N N . LEU I 1 240 ? 22.124 65.833 108.457 1.00 21.99 ? ? ? ? ? ? 239 LEU I N 1 +ATOM 17774 C CA . LEU I 1 240 ? 21.911 67.055 107.661 1.00 21.08 ? ? ? ? ? ? 239 LEU I CA 1 +ATOM 17775 C C . LEU I 1 240 ? 20.695 66.910 106.730 1.00 20.90 ? ? ? ? ? ? 239 LEU I C 1 +ATOM 17776 O O . LEU I 1 240 ? 19.879 67.810 106.640 1.00 20.26 ? ? ? ? ? ? 239 LEU I O 1 +ATOM 17777 C CB . LEU I 1 240 ? 23.167 67.434 106.875 1.00 19.76 ? ? ? ? ? ? 239 LEU I CB 1 +ATOM 17778 C CG . LEU I 1 240 ? 24.357 67.926 107.709 1.00 19.86 ? ? ? ? ? ? 239 LEU I CG 1 +ATOM 17779 C CD1 . LEU I 1 240 ? 25.596 68.133 106.859 1.00 17.05 ? ? ? ? ? ? 239 LEU I CD1 1 +ATOM 17780 C CD2 . LEU I 1 240 ? 23.997 69.210 108.481 1.00 19.73 ? ? ? ? ? ? 239 LEU I CD2 1 +ATOM 17781 N N . ALA I 1 241 ? 20.577 65.762 106.054 1.00 21.23 ? ? ? ? ? ? 240 ALA I N 1 +ATOM 17782 C CA . ALA I 1 241 ? 19.389 65.474 105.259 1.00 20.58 ? ? ? ? ? ? 240 ALA I CA 1 +ATOM 17783 C C . ALA I 1 241 ? 18.098 65.652 106.084 1.00 20.41 ? ? ? ? ? ? 240 ALA I C 1 +ATOM 17784 O O . ALA I 1 241 ? 17.106 66.180 105.606 1.00 22.71 ? ? ? ? ? ? 240 ALA I O 1 +ATOM 17785 C CB . ALA I 1 241 ? 19.469 64.030 104.669 1.00 19.11 ? ? ? ? ? ? 240 ALA I CB 1 +ATOM 17786 N N . GLY I 1 242 ? 18.116 65.182 107.321 1.00 20.99 ? ? ? ? ? ? 241 GLY I N 1 +ATOM 17787 C CA . GLY I 1 242 ? 16.989 65.310 108.204 1.00 21.07 ? ? ? ? ? ? 241 GLY I CA 1 +ATOM 17788 C C . GLY I 1 242 ? 16.666 66.738 108.539 1.00 22.25 ? ? ? ? ? ? 241 GLY I C 1 +ATOM 17789 O O . GLY I 1 242 ? 15.464 67.111 108.600 1.00 22.38 ? ? ? ? ? ? 241 GLY I O 1 +ATOM 17790 N N . LEU I 1 243 ? 17.720 67.523 108.767 1.00 21.22 ? ? ? ? ? ? 242 LEU I N 1 +ATOM 17791 C CA . LEU I 1 243 ? 17.590 68.960 109.002 1.00 21.31 ? ? ? ? ? ? 242 LEU I CA 1 +ATOM 17792 C C . LEU I 1 243 ? 16.955 69.653 107.802 1.00 21.61 ? ? ? ? ? ? 242 LEU I C 1 +ATOM 17793 O O . LEU I 1 243 ? 16.021 70.443 107.954 1.00 20.99 ? ? ? ? ? ? 242 LEU I O 1 +ATOM 17794 C CB . LEU I 1 243 ? 18.969 69.584 109.305 1.00 21.30 ? ? ? ? ? ? 242 LEU I CB 1 +ATOM 17795 C CG . LEU I 1 243 ? 19.037 71.111 109.480 1.00 23.32 ? ? ? ? ? ? 242 LEU I CG 1 +ATOM 17796 C CD1 . LEU I 1 243 ? 18.229 71.653 110.724 1.00 17.17 ? ? ? ? ? ? 242 LEU I CD1 1 +ATOM 17797 C CD2 . LEU I 1 243 ? 20.496 71.484 109.589 1.00 20.57 ? ? ? ? ? ? 242 LEU I CD2 1 +ATOM 17798 N N . PHE I 1 244 ? 17.448 69.343 106.609 1.00 22.14 ? ? ? ? ? ? 243 PHE I N 1 +ATOM 17799 C CA . PHE I 1 244 ? 16.928 69.966 105.379 1.00 23.26 ? ? ? ? ? ? 243 PHE I CA 1 +ATOM 17800 C C . PHE I 1 244 ? 15.428 69.708 105.252 1.00 23.86 ? ? ? ? ? ? 243 PHE I C 1 +ATOM 17801 O O . PHE I 1 244 ? 14.663 70.616 104.972 1.00 24.97 ? ? ? ? ? ? 243 PHE I O 1 +ATOM 17802 C CB . PHE I 1 244 ? 17.621 69.420 104.108 1.00 23.92 ? ? ? ? ? ? 243 PHE I CB 1 +ATOM 17803 C CG . PHE I 1 244 ? 19.122 69.654 104.040 1.00 19.88 ? ? ? ? ? ? 243 PHE I CG 1 +ATOM 17804 C CD1 . PHE I 1 244 ? 19.803 70.399 104.997 1.00 25.70 ? ? ? ? ? ? 243 PHE I CD1 1 +ATOM 17805 C CD2 . PHE I 1 244 ? 19.842 69.127 102.979 1.00 23.47 ? ? ? ? ? ? 243 PHE I CD2 1 +ATOM 17806 C CE1 . PHE I 1 244 ? 21.185 70.602 104.895 1.00 25.49 ? ? ? ? ? ? 243 PHE I CE1 1 +ATOM 17807 C CE2 . PHE I 1 244 ? 21.221 69.342 102.864 1.00 23.37 ? ? ? ? ? ? 243 PHE I CE2 1 +ATOM 17808 C CZ . PHE I 1 244 ? 21.892 70.055 103.836 1.00 23.40 ? ? ? ? ? ? 243 PHE I CZ 1 +ATOM 17809 N N . GLU I 1 245 ? 15.039 68.457 105.447 1.00 23.64 ? ? ? ? ? ? 244 GLU I N 1 +ATOM 17810 C CA . GLU I 1 245 ? 13.658 68.027 105.419 1.00 24.14 ? ? ? ? ? ? 244 GLU I CA 1 +ATOM 17811 C C . GLU I 1 245 ? 12.806 68.817 106.398 1.00 24.24 ? ? ? ? ? ? 244 GLU I C 1 +ATOM 17812 O O . GLU I 1 245 ? 11.732 69.313 106.047 1.00 25.23 ? ? ? ? ? ? 244 GLU I O 1 +ATOM 17813 C CB . GLU I 1 245 ? 13.580 66.527 105.749 1.00 23.54 ? ? ? ? ? ? 244 GLU I CB 1 +ATOM 17814 C CG . GLU I 1 245 ? 13.925 65.638 104.536 1.00 28.78 ? ? ? ? ? ? 244 GLU I CG 1 +ATOM 17815 C CD . GLU I 1 245 ? 14.452 64.202 104.852 1.00 28.25 ? ? ? ? ? ? 244 GLU I CD 1 +ATOM 17816 O OE1 . GLU I 1 245 ? 14.617 63.792 106.029 1.00 28.63 ? ? ? ? ? ? 244 GLU I OE1 1 +ATOM 17817 O OE2 . GLU I 1 245 ? 14.732 63.493 103.855 1.00 33.08 ? ? ? ? ? ? 244 GLU I OE2 1 +ATOM 17818 N N . GLU I 1 246 ? 13.282 68.920 107.635 1.00 24.64 ? ? ? ? ? ? 245 GLU I N 1 +ATOM 17819 C CA . GLU I 1 246 ? 12.508 69.576 108.681 1.00 25.40 ? ? ? ? ? ? 245 GLU I CA 1 +ATOM 17820 C C . GLU I 1 246 ? 12.401 71.095 108.441 1.00 26.08 ? ? ? ? ? ? 245 GLU I C 1 +ATOM 17821 O O . GLU I 1 246 ? 11.377 71.681 108.746 1.00 26.77 ? ? ? ? ? ? 245 GLU I O 1 +ATOM 17822 C CB . GLU I 1 246 ? 13.128 69.288 110.049 1.00 26.19 ? ? ? ? ? ? 245 GLU I CB 1 +ATOM 17823 C CG . GLU I 1 246 ? 13.012 67.823 110.527 1.00 25.70 ? ? ? ? ? ? 245 GLU I CG 1 +ATOM 17824 C CD . GLU I 1 246 ? 14.023 67.453 111.626 1.00 25.55 ? ? ? ? ? ? 245 GLU I CD 1 +ATOM 17825 O OE1 . GLU I 1 246 ? 14.966 68.238 111.945 1.00 23.26 ? ? ? ? ? ? 245 GLU I OE1 1 +ATOM 17826 O OE2 . GLU I 1 246 ? 13.891 66.343 112.150 1.00 33.49 ? ? ? ? ? ? 245 GLU I OE2 1 +ATOM 17827 N N . MSE I 1 247 ? 13.468 71.713 107.908 1.00 26.18 ? ? ? ? ? ? 246 MSE I N 1 +ATOM 17828 C CA . MSE I 1 247 ? 13.482 73.126 107.517 1.00 25.85 ? ? ? ? ? ? 246 MSE I CA 1 +ATOM 17829 C C . MSE I 1 247 ? 12.514 73.384 106.389 1.00 28.56 ? ? ? ? ? ? 246 MSE I C 1 +ATOM 17830 O O . MSE I 1 247 ? 11.839 74.403 106.383 1.00 28.74 ? ? ? ? ? ? 246 MSE I O 1 +ATOM 17831 C CB . MSE I 1 247 ? 14.871 73.558 107.081 1.00 24.81 ? ? ? ? ? ? 246 MSE I CB 1 +ATOM 17832 C CG . MSE I 1 247 ? 15.838 73.785 108.208 1.00 23.13 ? ? ? ? ? ? 246 MSE I CG 1 +ATOM 17833 SE SE . MSE I 1 247 ? 17.679 74.290 107.651 0.75 21.26 ? ? ? ? ? ? 246 MSE I SE 1 +ATOM 17834 C CE . MSE I 1 247 ? 17.341 76.219 107.185 1.00 23.66 ? ? ? ? ? ? 246 MSE I CE 1 +ATOM 17835 N N . ALA I 1 248 ? 12.442 72.443 105.441 1.00 29.90 ? ? ? ? ? ? 247 ALA I N 1 +ATOM 17836 C CA . ALA I 1 248 ? 11.485 72.511 104.344 1.00 30.64 ? ? ? ? ? ? 247 ALA I CA 1 +ATOM 17837 C C . ALA I 1 248 ? 10.059 72.358 104.844 1.00 30.86 ? ? ? ? ? ? 247 ALA I C 1 +ATOM 17838 O O . ALA I 1 248 ? 9.182 73.093 104.374 1.00 31.70 ? ? ? ? ? ? 247 ALA I O 1 +ATOM 17839 C CB . ALA I 1 248 ? 11.810 71.469 103.243 1.00 28.47 ? ? ? ? ? ? 247 ALA I CB 1 +ATOM 17840 N N . GLN I 1 249 ? 9.828 71.467 105.817 1.00 30.37 ? ? ? ? ? ? 248 GLN I N 1 +ATOM 17841 C CA . GLN I 1 249 ? 8.461 71.040 106.174 1.00 33.31 ? ? ? ? ? ? 248 GLN I CA 1 +ATOM 17842 C C . GLN I 1 249 ? 7.824 71.719 107.405 1.00 33.67 ? ? ? ? ? ? 248 GLN I C 1 +ATOM 17843 O O . GLN I 1 249 ? 6.617 71.616 107.599 1.00 34.17 ? ? ? ? ? ? 248 GLN I O 1 +ATOM 17844 C CB . GLN I 1 249 ? 8.433 69.508 106.323 1.00 33.29 ? ? ? ? ? ? 248 GLN I CB 1 +ATOM 17845 C CG . GLN I 1 249 ? 8.731 68.856 104.940 1.00 37.88 ? ? ? ? ? ? 248 GLN I CG 1 +ATOM 17846 C CD . GLN I 1 249 ? 9.038 67.370 104.922 1.00 38.02 ? ? ? ? ? ? 248 GLN I CD 1 +ATOM 17847 O OE1 . GLN I 1 249 ? 9.367 66.741 105.945 1.00 45.70 ? ? ? ? ? ? 248 GLN I OE1 1 +ATOM 17848 N NE2 . GLN I 1 249 ? 8.946 66.799 103.727 1.00 36.53 ? ? ? ? ? ? 248 GLN I NE2 1 +ATOM 17849 N N . HIS I 1 250 ? 8.623 72.419 108.215 1.00 33.13 ? ? ? ? ? ? 249 HIS I N 1 +ATOM 17850 C CA . HIS I 1 250 ? 8.149 73.019 109.478 1.00 33.01 ? ? ? ? ? ? 249 HIS I CA 1 +ATOM 17851 C C . HIS I 1 250 ? 8.530 74.470 109.540 1.00 32.28 ? ? ? ? ? ? 249 HIS I C 1 +ATOM 17852 O O . HIS I 1 250 ? 9.602 74.835 109.091 1.00 32.71 ? ? ? ? ? ? 249 HIS I O 1 +ATOM 17853 C CB . HIS I 1 250 ? 8.750 72.303 110.707 1.00 32.30 ? ? ? ? ? ? 249 HIS I CB 1 +ATOM 17854 C CG . HIS I 1 250 ? 8.307 70.882 110.864 1.00 34.32 ? ? ? ? ? ? 249 HIS I CG 1 +ATOM 17855 N ND1 . HIS I 1 250 ? 7.055 70.540 111.336 1.00 38.51 ? ? ? ? ? ? 249 HIS I ND1 1 +ATOM 17856 C CD2 . HIS I 1 250 ? 8.945 69.717 110.614 1.00 33.73 ? ? ? ? ? ? 249 HIS I CD2 1 +ATOM 17857 C CE1 . HIS I 1 250 ? 6.940 69.228 111.366 1.00 39.89 ? ? ? ? ? ? 249 HIS I CE1 1 +ATOM 17858 N NE2 . HIS I 1 250 ? 8.074 68.706 110.937 1.00 39.08 ? ? ? ? ? ? 249 HIS I NE2 1 +ATOM 17859 N N . ASP I 1 251 ? 7.627 75.297 110.070 1.00 32.04 ? ? ? ? ? ? 250 ASP I N 1 +ATOM 17860 C CA . ASP I 1 251 ? 7.982 76.649 110.473 1.00 31.38 ? ? ? ? ? ? 250 ASP I CA 1 +ATOM 17861 C C . ASP I 1 251 ? 8.898 76.490 111.678 1.00 28.16 ? ? ? ? ? ? 250 ASP I C 1 +ATOM 17862 O O . ASP I 1 251 ? 8.913 75.441 112.322 1.00 27.33 ? ? ? ? ? ? 250 ASP I O 1 +ATOM 17863 C CB . ASP I 1 251 ? 6.742 77.483 110.855 1.00 32.86 ? ? ? ? ? ? 250 ASP I CB 1 +ATOM 17864 C CG . ASP I 1 251 ? 5.826 77.811 109.670 1.00 39.23 ? ? ? ? ? ? 250 ASP I CG 1 +ATOM 17865 O OD1 . ASP I 1 251 ? 6.286 77.919 108.514 1.00 41.46 ? ? ? ? ? ? 250 ASP I OD1 1 +ATOM 17866 O OD2 . ASP I 1 251 ? 4.622 77.987 109.923 1.00 47.93 ? ? ? ? ? ? 250 ASP I OD2 1 +ATOM 17867 N N . LEU I 1 252 ? 9.662 77.527 111.985 1.00 26.33 ? ? ? ? ? ? 251 LEU I N 1 +ATOM 17868 C CA . LEU I 1 252 ? 10.608 77.487 113.094 1.00 25.71 ? ? ? ? ? ? 251 LEU I CA 1 +ATOM 17869 C C . LEU I 1 252 ? 9.888 77.148 114.415 1.00 25.90 ? ? ? ? ? ? 251 LEU I C 1 +ATOM 17870 O O . LEU I 1 252 ? 10.397 76.380 115.263 1.00 24.01 ? ? ? ? ? ? 251 LEU I O 1 +ATOM 17871 C CB . LEU I 1 252 ? 11.334 78.831 113.219 1.00 23.96 ? ? ? ? ? ? 251 LEU I CB 1 +ATOM 17872 C CG . LEU I 1 252 ? 12.524 78.856 114.154 1.00 25.19 ? ? ? ? ? ? 251 LEU I CG 1 +ATOM 17873 C CD1 . LEU I 1 252 ? 13.586 77.768 113.742 1.00 19.69 ? ? ? ? ? ? 251 LEU I CD1 1 +ATOM 17874 C CD2 . LEU I 1 252 ? 13.102 80.291 114.155 1.00 22.86 ? ? ? ? ? ? 251 LEU I CD2 1 +ATOM 17875 N N . TYR I 1 253 ? 8.706 77.730 114.577 1.00 26.77 ? ? ? ? ? ? 252 TYR I N 1 +ATOM 17876 C CA . TYR I 1 253 ? 7.869 77.458 115.707 1.00 28.24 ? ? ? ? ? ? 252 TYR I CA 1 +ATOM 17877 C C . TYR I 1 253 ? 6.489 77.085 115.218 1.00 31.65 ? ? ? ? ? ? 252 TYR I C 1 +ATOM 17878 O O . TYR I 1 253 ? 6.017 77.589 114.201 1.00 31.32 ? ? ? ? ? ? 252 TYR I O 1 +ATOM 17879 C CB . TYR I 1 253 ? 7.827 78.678 116.651 1.00 27.04 ? ? ? ? ? ? 252 TYR I CB 1 +ATOM 17880 C CG . TYR I 1 253 ? 9.130 78.963 117.394 1.00 23.80 ? ? ? ? ? ? 252 TYR I CG 1 +ATOM 17881 C CD1 . TYR I 1 253 ? 9.377 78.410 118.651 1.00 26.13 ? ? ? ? ? ? 252 TYR I CD1 1 +ATOM 17882 C CD2 . TYR I 1 253 ? 10.105 79.804 116.846 1.00 21.28 ? ? ? ? ? ? 252 TYR I CD2 1 +ATOM 17883 C CE1 . TYR I 1 253 ? 10.599 78.674 119.343 1.00 24.07 ? ? ? ? ? ? 252 TYR I CE1 1 +ATOM 17884 C CE2 . TYR I 1 253 ? 11.296 80.082 117.529 1.00 23.58 ? ? ? ? ? ? 252 TYR I CE2 1 +ATOM 17885 C CZ . TYR I 1 253 ? 11.535 79.527 118.763 1.00 22.71 ? ? ? ? ? ? 252 TYR I CZ 1 +ATOM 17886 O OH . TYR I 1 253 ? 12.705 79.824 119.420 1.00 21.25 ? ? ? ? ? ? 252 TYR I OH 1 +ATOM 17887 N N . GLU I 1 254 ? 5.852 76.183 115.957 1.00 36.51 ? ? ? ? ? ? 253 GLU I N 1 +ATOM 17888 C CA . GLU I 1 254 ? 4.518 75.696 115.642 1.00 40.62 ? ? ? ? ? ? 253 GLU I CA 1 +ATOM 17889 C C . GLU I 1 254 ? 3.696 75.518 116.917 1.00 44.29 ? ? ? ? ? ? 253 GLU I C 1 +ATOM 17890 O O . GLU I 1 254 ? 4.194 75.644 118.029 1.00 45.63 ? ? ? ? ? ? 253 GLU I O 1 +ATOM 17891 C CB . GLU I 1 254 ? 4.614 74.380 114.869 1.00 40.68 ? ? ? ? ? ? 253 GLU I CB 1 +ATOM 17892 C CG . GLU I 1 254 ? 5.199 74.565 113.450 1.00 39.59 ? ? ? ? ? ? 253 GLU I CG 1 +ATOM 17893 C CD . GLU I 1 254 ? 5.235 73.281 112.621 1.00 43.53 ? ? ? ? ? ? 253 GLU I CD 1 +ATOM 17894 O OE1 . GLU I 1 254 ? 5.212 72.174 113.222 1.00 35.35 ? ? ? ? ? ? 253 GLU I OE1 1 +ATOM 17895 O OE2 . GLU I 1 254 ? 5.271 73.406 111.363 1.00 44.06 ? ? ? ? ? ? 253 GLU I OE2 1 +ATOM 17896 O OXT . GLU I 1 254 ? 2.496 75.250 116.865 1.00 46.78 ? ? ? ? ? ? 253 GLU I OXT 1 +ATOM 17897 N N . MSE J 1 2 ? 45.763 67.911 86.486 1.00 39.21 ? ? ? ? ? ? 1 MSE J N 1 +ATOM 17898 C CA . MSE J 1 2 ? 45.973 68.500 87.843 1.00 40.06 ? ? ? ? ? ? 1 MSE J CA 1 +ATOM 17899 C C . MSE J 1 2 ? 47.395 69.049 87.980 1.00 37.46 ? ? ? ? ? ? 1 MSE J C 1 +ATOM 17900 O O . MSE J 1 2 ? 48.366 68.391 87.610 1.00 37.85 ? ? ? ? ? ? 1 MSE J O 1 +ATOM 17901 C CB . MSE J 1 2 ? 45.691 67.446 88.926 1.00 40.33 ? ? ? ? ? ? 1 MSE J CB 1 +ATOM 17902 C CG . MSE J 1 2 ? 46.170 67.815 90.342 1.00 43.00 ? ? ? ? ? ? 1 MSE J CG 1 +ATOM 17903 SE SE . MSE J 1 2 ? 45.787 66.453 91.746 0.75 46.07 ? ? ? ? ? ? 1 MSE J SE 1 +ATOM 17904 C CE . MSE J 1 2 ? 43.893 66.002 91.083 1.00 42.50 ? ? ? ? ? ? 1 MSE J CE 1 +ATOM 17905 N N . ASN J 1 3 ? 47.518 70.263 88.500 1.00 33.79 ? ? ? ? ? ? 2 ASN J N 1 +ATOM 17906 C CA . ASN J 1 3 ? 48.827 70.896 88.639 1.00 31.17 ? ? ? ? ? ? 2 ASN J CA 1 +ATOM 17907 C C . ASN J 1 3 ? 48.986 71.678 89.940 1.00 29.85 ? ? ? ? ? ? 2 ASN J C 1 +ATOM 17908 O O . ASN J 1 3 ? 48.679 72.864 89.990 1.00 27.69 ? ? ? ? ? ? 2 ASN J O 1 +ATOM 17909 C CB . ASN J 1 3 ? 49.116 71.795 87.434 1.00 31.42 ? ? ? ? ? ? 2 ASN J CB 1 +ATOM 17910 C CG . ASN J 1 3 ? 50.549 72.229 87.389 1.00 28.61 ? ? ? ? ? ? 2 ASN J CG 1 +ATOM 17911 O OD1 . ASN J 1 3 ? 51.213 72.307 88.416 1.00 33.16 ? ? ? ? ? ? 2 ASN J OD1 1 +ATOM 17912 N ND2 . ASN J 1 3 ? 51.029 72.533 86.210 1.00 28.57 ? ? ? ? ? ? 2 ASN J ND2 1 +ATOM 17913 N N . LYS J 1 4 ? 49.515 70.987 90.963 1.00 28.99 ? ? ? ? ? ? 3 LYS J N 1 +ATOM 17914 C CA . LYS J 1 4 ? 49.647 71.510 92.327 1.00 29.83 ? ? ? ? ? ? 3 LYS J CA 1 +ATOM 17915 C C . LYS J 1 4 ? 50.679 72.615 92.438 1.00 28.59 ? ? ? ? ? ? 3 LYS J C 1 +ATOM 17916 O O . LYS J 1 4 ? 50.672 73.369 93.418 1.00 28.11 ? ? ? ? ? ? 3 LYS J O 1 +ATOM 17917 C CB . LYS J 1 4 ? 50.002 70.396 93.322 1.00 30.94 ? ? ? ? ? ? 3 LYS J CB 1 +ATOM 17918 C CG . LYS J 1 4 ? 48.909 69.370 93.579 1.00 31.63 ? ? ? ? ? ? 3 LYS J CG 1 +ATOM 17919 C CD . LYS J 1 4 ? 49.257 68.481 94.781 1.00 32.52 ? ? ? ? ? ? 3 LYS J CD 1 +ATOM 17920 C CE . LYS J 1 4 ? 48.226 67.351 94.994 1.00 36.90 ? ? ? ? ? ? 3 LYS J CE 1 +ATOM 17921 N NZ . LYS J 1 4 ? 48.337 66.780 96.379 1.00 33.87 ? ? ? ? ? ? 3 LYS J NZ 1 +ATOM 17922 N N . GLU J 1 5 ? 51.541 72.734 91.428 1.00 27.66 ? ? ? ? ? ? 4 GLU J N 1 +ATOM 17923 C CA . GLU J 1 5 ? 52.558 73.781 91.397 1.00 27.71 ? ? ? ? ? ? 4 GLU J CA 1 +ATOM 17924 C C . GLU J 1 5 ? 51.970 75.193 91.150 1.00 24.04 ? ? ? ? ? ? 4 GLU J C 1 +ATOM 17925 O O . GLU J 1 5 ? 52.458 76.176 91.721 1.00 25.17 ? ? ? ? ? ? 4 GLU J O 1 +ATOM 17926 C CB . GLU J 1 5 ? 53.627 73.444 90.338 1.00 27.55 ? ? ? ? ? ? 4 GLU J CB 1 +ATOM 17927 C CG . GLU J 1 5 ? 54.970 74.134 90.565 1.00 32.08 ? ? ? ? ? ? 4 GLU J CG 1 +ATOM 17928 C CD . GLU J 1 5 ? 56.077 73.719 89.581 1.00 32.91 ? ? ? ? ? ? 4 GLU J CD 1 +ATOM 17929 O OE1 . GLU J 1 5 ? 55.854 72.871 88.670 1.00 41.36 ? ? ? ? ? ? 4 GLU J OE1 1 +ATOM 17930 O OE2 . GLU J 1 5 ? 57.193 74.254 89.732 1.00 30.77 ? ? ? ? ? ? 4 GLU J OE2 1 +ATOM 17931 N N . VAL J 1 6 ? 50.952 75.301 90.303 1.00 21.39 ? ? ? ? ? ? 5 VAL J N 1 +ATOM 17932 C CA . VAL J 1 6 ? 50.449 76.629 89.864 1.00 21.21 ? ? ? ? ? ? 5 VAL J CA 1 +ATOM 17933 C C . VAL J 1 6 ? 48.929 76.831 90.010 1.00 20.70 ? ? ? ? ? ? 5 VAL J C 1 +ATOM 17934 O O . VAL J 1 6 ? 48.427 77.916 89.703 1.00 20.68 ? ? ? ? ? ? 5 VAL J O 1 +ATOM 17935 C CB . VAL J 1 6 ? 50.867 76.970 88.385 1.00 21.86 ? ? ? ? ? ? 5 VAL J CB 1 +ATOM 17936 C CG1 . VAL J 1 6 ? 52.361 76.768 88.176 1.00 20.41 ? ? ? ? ? ? 5 VAL J CG1 1 +ATOM 17937 C CG2 . VAL J 1 6 ? 50.110 76.157 87.438 1.00 17.92 ? ? ? ? ? ? 5 VAL J CG2 1 +ATOM 17938 N N . ASP J 1 7 ? 48.230 75.824 90.531 1.00 19.51 ? ? ? ? ? ? 6 ASP J N 1 +ATOM 17939 C CA . ASP J 1 7 ? 46.786 75.879 90.733 1.00 19.70 ? ? ? ? ? ? 6 ASP J CA 1 +ATOM 17940 C C . ASP J 1 7 ? 46.498 75.544 92.195 1.00 19.86 ? ? ? ? ? ? 6 ASP J C 1 +ATOM 17941 O O . ASP J 1 7 ? 46.475 74.373 92.577 1.00 20.43 ? ? ? ? ? ? 6 ASP J O 1 +ATOM 17942 C CB . ASP J 1 7 ? 46.108 74.883 89.775 1.00 19.38 ? ? ? ? ? ? 6 ASP J CB 1 +ATOM 17943 C CG . ASP J 1 7 ? 44.600 74.887 89.852 1.00 22.23 ? ? ? ? ? ? 6 ASP J CG 1 +ATOM 17944 O OD1 . ASP J 1 7 ? 43.982 75.821 90.410 1.00 25.89 ? ? ? ? ? ? 6 ASP J OD1 1 +ATOM 17945 O OD2 . ASP J 1 7 ? 44.015 73.923 89.312 1.00 26.34 ? ? ? ? ? ? 6 ASP J OD2 1 +ATOM 17946 N N . LEU J 1 8 ? 46.233 76.586 92.989 1.00 19.35 ? ? ? ? ? ? 7 LEU J N 1 +ATOM 17947 C CA . LEU J 1 8 ? 45.960 76.468 94.414 1.00 19.67 ? ? ? ? ? ? 7 LEU J CA 1 +ATOM 17948 C C . LEU J 1 8 ? 44.727 75.644 94.752 1.00 20.85 ? ? ? ? ? ? 7 LEU J C 1 +ATOM 17949 O O . LEU J 1 8 ? 44.638 75.061 95.854 1.00 22.05 ? ? ? ? ? ? 7 LEU J O 1 +ATOM 17950 C CB . LEU J 1 8 ? 45.827 77.858 95.061 1.00 18.76 ? ? ? ? ? ? 7 LEU J CB 1 +ATOM 17951 C CG . LEU J 1 8 ? 46.083 77.918 96.572 1.00 18.43 ? ? ? ? ? ? 7 LEU J CG 1 +ATOM 17952 C CD1 . LEU J 1 8 ? 47.587 77.921 96.823 1.00 14.28 ? ? ? ? ? ? 7 LEU J CD1 1 +ATOM 17953 C CD2 . LEU J 1 8 ? 45.377 79.145 97.245 1.00 16.90 ? ? ? ? ? ? 7 LEU J CD2 1 +ATOM 17954 N N . SER J 1 9 ? 43.764 75.611 93.835 1.00 21.43 ? ? ? ? ? ? 8 SER J N 1 +ATOM 17955 C CA . SER J 1 9 ? 42.525 74.840 94.033 1.00 22.00 ? ? ? ? ? ? 8 SER J CA 1 +ATOM 17956 C C . SER J 1 9 ? 42.774 73.355 94.198 1.00 22.68 ? ? ? ? ? ? 8 SER J C 1 +ATOM 17957 O O . SER J 1 9 ? 41.942 72.687 94.773 1.00 23.31 ? ? ? ? ? ? 8 SER J O 1 +ATOM 17958 C CB . SER J 1 9 ? 41.534 75.073 92.877 1.00 23.56 ? ? ? ? ? ? 8 SER J CB 1 +ATOM 17959 O OG . SER J 1 9 ? 41.364 76.482 92.689 1.00 27.75 ? ? ? ? ? ? 8 SER J OG 1 +ATOM 17960 N N . VAL J 1 10 ? 43.925 72.848 93.729 1.00 22.45 ? ? ? ? ? ? 9 VAL J N 1 +ATOM 17961 C CA . VAL J 1 10 ? 44.289 71.433 93.922 1.00 22.71 ? ? ? ? ? ? 9 VAL J CA 1 +ATOM 17962 C C . VAL J 1 10 ? 45.569 71.250 94.790 1.00 23.90 ? ? ? ? ? ? 9 VAL J C 1 +ATOM 17963 O O . VAL J 1 10 ? 45.942 70.124 95.129 1.00 27.38 ? ? ? ? ? ? 9 VAL J O 1 +ATOM 17964 C CB . VAL J 1 10 ? 44.451 70.679 92.540 1.00 22.54 ? ? ? ? ? ? 9 VAL J CB 1 +ATOM 17965 C CG1 . VAL J 1 10 ? 43.151 70.730 91.748 1.00 19.13 ? ? ? ? ? ? 9 VAL J CG1 1 +ATOM 17966 C CG2 . VAL J 1 10 ? 45.621 71.252 91.735 1.00 19.17 ? ? ? ? ? ? 9 VAL J CG2 1 +ATOM 17967 N N . SER J 1 11 ? 46.211 72.353 95.165 1.00 22.74 ? ? ? ? ? ? 10 SER J N 1 +ATOM 17968 C CA . SER J 1 11 ? 47.554 72.333 95.732 1.00 21.91 ? ? ? ? ? ? 10 SER J CA 1 +ATOM 17969 C C . SER J 1 11 ? 47.563 72.174 97.262 1.00 22.82 ? ? ? ? ? ? 10 SER J C 1 +ATOM 17970 O O . SER J 1 11 ? 46.553 72.282 97.902 1.00 21.91 ? ? ? ? ? ? 10 SER J O 1 +ATOM 17971 C CB . SER J 1 11 ? 48.269 73.622 95.371 1.00 23.70 ? ? ? ? ? ? 10 SER J CB 1 +ATOM 17972 O OG . SER J 1 11 ? 49.634 73.529 95.742 1.00 27.94 ? ? ? ? ? ? 10 SER J OG 1 +ATOM 17973 N N . CYS J 1 12 ? 48.741 71.943 97.826 1.00 22.93 ? ? ? ? ? ? 11 CYS J N 1 +ATOM 17974 C CA . CYS J 1 12 ? 48.906 71.774 99.268 1.00 23.11 ? ? ? ? ? ? 11 CYS J CA 1 +ATOM 17975 C C . CYS J 1 12 ? 50.217 72.421 99.685 1.00 23.04 ? ? ? ? ? ? 11 CYS J C 1 +ATOM 17976 O O . CYS J 1 12 ? 51.070 72.627 98.842 1.00 23.88 ? ? ? ? ? ? 11 CYS J O 1 +ATOM 17977 C CB . CYS J 1 12 ? 48.885 70.281 99.618 1.00 24.20 ? ? ? ? ? ? 11 CYS J CB 1 +ATOM 17978 S SG . CYS J 1 12 ? 50.220 69.345 98.858 1.00 24.37 ? ? ? ? ? ? 11 CYS J SG 1 +ATOM 17979 N N . LEU J 1 13 ? 50.371 72.744 100.974 1.00 23.84 ? ? ? ? ? ? 12 LEU J N 1 +ATOM 17980 C CA . LEU J 1 13 ? 51.524 73.512 101.481 1.00 23.98 ? ? ? ? ? ? 12 LEU J CA 1 +ATOM 17981 C C . LEU J 1 13 ? 52.851 72.802 101.179 1.00 25.39 ? ? ? ? ? ? 12 LEU J C 1 +ATOM 17982 O O . LEU J 1 13 ? 53.823 73.443 100.813 1.00 25.86 ? ? ? ? ? ? 12 LEU J O 1 +ATOM 17983 C CB . LEU J 1 13 ? 51.407 73.781 102.998 1.00 26.04 ? ? ? ? ? ? 12 LEU J CB 1 +ATOM 17984 C CG . LEU J 1 13 ? 52.566 74.560 103.663 1.00 24.97 ? ? ? ? ? ? 12 LEU J CG 1 +ATOM 17985 C CD1 . LEU J 1 13 ? 52.621 76.038 103.152 1.00 22.65 ? ? ? ? ? ? 12 LEU J CD1 1 +ATOM 17986 C CD2 . LEU J 1 13 ? 52.541 74.507 105.197 1.00 20.87 ? ? ? ? ? ? 12 LEU J CD2 1 +ATOM 17987 N N . GLY J 1 14 ? 52.871 71.482 101.316 1.00 26.16 ? ? ? ? ? ? 13 GLY J N 1 +ATOM 17988 C CA . GLY J 1 14 ? 54.064 70.706 100.988 1.00 27.03 ? ? ? ? ? ? 13 GLY J CA 1 +ATOM 17989 C C . GLY J 1 14 ? 54.623 70.921 99.586 1.00 28.20 ? ? ? ? ? ? 13 GLY J C 1 +ATOM 17990 O O . GLY J 1 14 ? 55.838 70.922 99.408 1.00 28.34 ? ? ? ? ? ? 13 GLY J O 1 +ATOM 17991 N N . LYS J 1 15 ? 53.740 71.120 98.595 1.00 28.94 ? ? ? ? ? ? 14 LYS J N 1 +ATOM 17992 C CA . LYS J 1 15 ? 54.165 71.360 97.192 1.00 30.36 ? ? ? ? ? ? 14 LYS J CA 1 +ATOM 17993 C C . LYS J 1 15 ? 54.672 72.778 96.976 1.00 31.12 ? ? ? ? ? ? 14 LYS J C 1 +ATOM 17994 O O . LYS J 1 15 ? 55.572 73.002 96.149 1.00 35.39 ? ? ? ? ? ? 14 LYS J O 1 +ATOM 17995 C CB . LYS J 1 15 ? 53.030 71.069 96.183 1.00 30.53 ? ? ? ? ? ? 14 LYS J CB 1 +ATOM 17996 C CG . LYS J 1 15 ? 52.544 69.600 96.168 1.00 41.89 ? ? ? ? ? ? 14 LYS J CG 1 +ATOM 17997 C CD . LYS J 1 15 ? 53.609 68.594 95.637 1.00 46.44 ? ? ? ? ? ? 14 LYS J CD 1 +ATOM 17998 C CE . LYS J 1 15 ? 54.357 67.857 96.762 1.00 49.81 ? ? ? ? ? ? 14 LYS J CE 1 +ATOM 17999 N NZ . LYS J 1 15 ? 55.685 67.315 96.333 1.00 50.17 ? ? ? ? ? ? 14 LYS J NZ 1 +ATOM 18000 N N . VAL J 1 16 ? 54.112 73.740 97.713 1.00 29.46 ? ? ? ? ? ? 15 VAL J N 1 +ATOM 18001 C CA . VAL J 1 16 ? 54.378 75.157 97.444 1.00 28.41 ? ? ? ? ? ? 15 VAL J CA 1 +ATOM 18002 C C . VAL J 1 16 ? 55.471 75.775 98.328 1.00 29.17 ? ? ? ? ? ? 15 VAL J C 1 +ATOM 18003 O O . VAL J 1 16 ? 56.130 76.725 97.919 1.00 27.04 ? ? ? ? ? ? 15 VAL J O 1 +ATOM 18004 C CB . VAL J 1 16 ? 53.074 76.009 97.538 1.00 27.52 ? ? ? ? ? ? 15 VAL J CB 1 +ATOM 18005 C CG1 . VAL J 1 16 ? 51.937 75.334 96.764 1.00 29.11 ? ? ? ? ? ? 15 VAL J CG1 1 +ATOM 18006 C CG2 . VAL J 1 16 ? 52.651 76.244 98.985 1.00 27.03 ? ? ? ? ? ? 15 VAL J CG2 1 +ATOM 18007 N N . LYS J 1 17 ? 55.681 75.222 99.519 1.00 30.95 ? ? ? ? ? ? 16 LYS J N 1 +ATOM 18008 C CA . LYS J 1 17 ? 56.407 75.959 100.536 1.00 34.95 ? ? ? ? ? ? 16 LYS J CA 1 +ATOM 18009 C C . LYS J 1 17 ? 57.873 76.143 100.192 1.00 35.00 ? ? ? ? ? ? 16 LYS J C 1 +ATOM 18010 O O . LYS J 1 17 ? 58.458 77.128 100.638 1.00 35.20 ? ? ? ? ? ? 16 LYS J O 1 +ATOM 18011 C CB . LYS J 1 17 ? 56.232 75.370 101.947 1.00 35.83 ? ? ? ? ? ? 16 LYS J CB 1 +ATOM 18012 C CG . LYS J 1 17 ? 56.874 74.018 102.166 1.00 38.51 ? ? ? ? ? ? 16 LYS J CG 1 +ATOM 18013 C CD . LYS J 1 17 ? 57.108 73.738 103.653 1.00 39.99 ? ? ? ? ? ? 16 LYS J CD 1 +ATOM 18014 C CE . LYS J 1 17 ? 57.800 72.393 103.827 1.00 49.50 ? ? ? ? ? ? 16 LYS J CE 1 +ATOM 18015 N NZ . LYS J 1 17 ? 58.802 72.444 104.934 1.00 54.41 ? ? ? ? ? ? 16 LYS J NZ 1 +ATOM 18016 N N . GLU J 1 18 ? 58.466 75.244 99.408 1.00 35.89 ? ? ? ? ? ? 17 GLU J N 1 +ATOM 18017 C CA . GLU J 1 18 ? 59.890 75.422 99.079 1.00 39.84 ? ? ? ? ? ? 17 GLU J CA 1 +ATOM 18018 C C . GLU J 1 18 ? 60.147 76.040 97.693 1.00 38.55 ? ? ? ? ? ? 17 GLU J C 1 +ATOM 18019 O O . GLU J 1 18 ? 61.272 76.020 97.228 1.00 39.59 ? ? ? ? ? ? 17 GLU J O 1 +ATOM 18020 C CB . GLU J 1 18 ? 60.680 74.104 99.283 1.00 41.98 ? ? ? ? ? ? 17 GLU J CB 1 +ATOM 18021 C CG . GLU J 1 18 ? 60.851 73.646 100.788 1.00 48.30 ? ? ? ? ? ? 17 GLU J CG 1 +ATOM 18022 C CD . GLU J 1 18 ? 61.431 74.736 101.755 1.00 56.42 ? ? ? ? ? ? 17 GLU J CD 1 +ATOM 18023 O OE1 . GLU J 1 18 ? 62.263 75.585 101.335 1.00 61.55 ? ? ? ? ? ? 17 GLU J OE1 1 +ATOM 18024 O OE2 . GLU J 1 18 ? 61.053 74.735 102.953 1.00 60.62 ? ? ? ? ? ? 17 GLU J OE2 1 +ATOM 18025 N N . LEU J 1 19 ? 59.117 76.595 97.047 1.00 35.51 ? ? ? ? ? ? 18 LEU J N 1 +ATOM 18026 C CA . LEU J 1 19 ? 59.254 77.177 95.703 1.00 32.83 ? ? ? ? ? ? 18 LEU J CA 1 +ATOM 18027 C C . LEU J 1 19 ? 59.092 78.681 95.732 1.00 31.54 ? ? ? ? ? ? 18 LEU J C 1 +ATOM 18028 O O . LEU J 1 19 ? 58.357 79.226 96.539 1.00 32.15 ? ? ? ? ? ? 18 LEU J O 1 +ATOM 18029 C CB . LEU J 1 19 ? 58.233 76.563 94.727 1.00 32.39 ? ? ? ? ? ? 18 LEU J CB 1 +ATOM 18030 C CG . LEU J 1 19 ? 58.229 75.044 94.597 1.00 29.61 ? ? ? ? ? ? 18 LEU J CG 1 +ATOM 18031 C CD1 . LEU J 1 19 ? 57.154 74.610 93.675 1.00 24.27 ? ? ? ? ? ? 18 LEU J CD1 1 +ATOM 18032 C CD2 . LEU J 1 19 ? 59.596 74.568 94.134 1.00 29.74 ? ? ? ? ? ? 18 LEU J CD2 1 +ATOM 18033 N N . LYS J 1 20 ? 59.809 79.349 94.850 1.00 30.41 ? ? ? ? ? ? 19 LYS J N 1 +ATOM 18034 C CA . LYS J 1 20 ? 59.669 80.782 94.662 1.00 29.75 ? ? ? ? ? ? 19 LYS J CA 1 +ATOM 18035 C C . LYS J 1 20 ? 58.569 81.073 93.639 1.00 27.02 ? ? ? ? ? ? 19 LYS J C 1 +ATOM 18036 O O . LYS J 1 20 ? 58.585 80.535 92.538 1.00 24.18 ? ? ? ? ? ? 19 LYS J O 1 +ATOM 18037 C CB . LYS J 1 20 ? 60.981 81.410 94.179 1.00 29.71 ? ? ? ? ? ? 19 LYS J CB 1 +ATOM 18038 C CG . LYS J 1 20 ? 60.822 82.875 93.782 1.00 37.77 ? ? ? ? ? ? 19 LYS J CG 1 +ATOM 18039 C CD . LYS J 1 20 ? 62.100 83.457 93.267 1.00 47.17 ? ? ? ? ? ? 19 LYS J CD 1 +ATOM 18040 C CE . LYS J 1 20 ? 61.934 84.921 92.893 1.00 53.21 ? ? ? ? ? ? 19 LYS J CE 1 +ATOM 18041 N NZ . LYS J 1 20 ? 62.745 85.248 91.686 1.00 53.46 ? ? ? ? ? ? 19 LYS J NZ 1 +ATOM 18042 N N . TYR J 1 21 ? 57.668 81.979 94.008 1.00 25.26 ? ? ? ? ? ? 20 TYR J N 1 +ATOM 18043 C CA . TYR J 1 21 ? 56.565 82.418 93.159 1.00 24.15 ? ? ? ? ? ? 20 TYR J CA 1 +ATOM 18044 C C . TYR J 1 21 ? 56.817 83.853 92.820 1.00 23.77 ? ? ? ? ? ? 20 TYR J C 1 +ATOM 18045 O O . TYR J 1 21 ? 57.148 84.652 93.682 1.00 25.70 ? ? ? ? ? ? 20 TYR J O 1 +ATOM 18046 C CB . TYR J 1 21 ? 55.217 82.189 93.877 1.00 20.85 ? ? ? ? ? ? 20 TYR J CB 1 +ATOM 18047 C CG . TYR J 1 21 ? 54.862 80.706 93.921 1.00 21.69 ? ? ? ? ? ? 20 TYR J CG 1 +ATOM 18048 C CD1 . TYR J 1 21 ? 55.273 79.871 94.958 1.00 21.38 ? ? ? ? ? ? 20 TYR J CD1 1 +ATOM 18049 C CD2 . TYR J 1 21 ? 54.166 80.133 92.878 1.00 16.92 ? ? ? ? ? ? 20 TYR J CD2 1 +ATOM 18050 C CE1 . TYR J 1 21 ? 54.961 78.486 94.946 1.00 21.38 ? ? ? ? ? ? 20 TYR J CE1 1 +ATOM 18051 C CE2 . TYR J 1 21 ? 53.880 78.802 92.846 1.00 20.58 ? ? ? ? ? ? 20 TYR J CE2 1 +ATOM 18052 C CZ . TYR J 1 21 ? 54.261 77.976 93.885 1.00 22.32 ? ? ? ? ? ? 20 TYR J CZ 1 +ATOM 18053 O OH . TYR J 1 21 ? 53.884 76.659 93.773 1.00 22.43 ? ? ? ? ? ? 20 TYR J OH 1 +ATOM 18054 N N . ASP J 1 22 ? 56.672 84.179 91.544 1.00 24.72 ? ? ? ? ? ? 21 ASP J N 1 +ATOM 18055 C CA . ASP J 1 22 ? 57.021 85.484 91.024 1.00 25.81 ? ? ? ? ? ? 21 ASP J CA 1 +ATOM 18056 C C . ASP J 1 22 ? 55.821 86.407 90.909 1.00 25.99 ? ? ? ? ? ? 21 ASP J C 1 +ATOM 18057 O O . ASP J 1 22 ? 55.921 87.595 91.239 1.00 27.50 ? ? ? ? ? ? 21 ASP J O 1 +ATOM 18058 C CB . ASP J 1 22 ? 57.626 85.311 89.632 1.00 27.50 ? ? ? ? ? ? 21 ASP J CB 1 +ATOM 18059 C CG . ASP J 1 22 ? 58.953 84.543 89.646 1.00 29.78 ? ? ? ? ? ? 21 ASP J CG 1 +ATOM 18060 O OD1 . ASP J 1 22 ? 59.919 85.044 90.245 1.00 34.80 ? ? ? ? ? ? 21 ASP J OD1 1 +ATOM 18061 O OD2 . ASP J 1 22 ? 59.020 83.455 89.051 1.00 31.86 ? ? ? ? ? ? 21 ASP J OD2 1 +ATOM 18062 N N . VAL J 1 23 ? 54.709 85.872 90.389 1.00 24.44 ? ? ? ? ? ? 22 VAL J N 1 +ATOM 18063 C CA . VAL J 1 23 ? 53.470 86.638 90.182 1.00 22.95 ? ? ? ? ? ? 22 VAL J CA 1 +ATOM 18064 C C . VAL J 1 23 ? 52.282 85.851 90.721 1.00 21.56 ? ? ? ? ? ? 22 VAL J C 1 +ATOM 18065 O O . VAL J 1 23 ? 52.303 84.640 90.668 1.00 20.22 ? ? ? ? ? ? 22 VAL J O 1 +ATOM 18066 C CB . VAL J 1 23 ? 53.247 86.963 88.676 1.00 23.68 ? ? ? ? ? ? 22 VAL J CB 1 +ATOM 18067 C CG1 . VAL J 1 23 ? 52.011 87.846 88.497 1.00 21.36 ? ? ? ? ? ? 22 VAL J CG1 1 +ATOM 18068 C CG2 . VAL J 1 23 ? 54.481 87.628 88.105 1.00 23.70 ? ? ? ? ? ? 22 VAL J CG2 1 +ATOM 18069 N N . ILE J 1 24 ? 51.277 86.542 91.289 1.00 19.56 ? ? ? ? ? ? 23 ILE J N 1 +ATOM 18070 C CA . ILE J 1 24 ? 50.047 85.893 91.753 1.00 18.33 ? ? ? ? ? ? 23 ILE J CA 1 +ATOM 18071 C C . ILE J 1 24 ? 48.929 86.303 90.779 1.00 18.08 ? ? ? ? ? ? 23 ILE J C 1 +ATOM 18072 O O . ILE J 1 24 ? 48.854 87.457 90.382 1.00 18.08 ? ? ? ? ? ? 23 ILE J O 1 +ATOM 18073 C CB . ILE J 1 24 ? 49.652 86.318 93.219 1.00 19.24 ? ? ? ? ? ? 23 ILE J CB 1 +ATOM 18074 C CG1 . ILE J 1 24 ? 50.787 86.054 94.236 1.00 18.94 ? ? ? ? ? ? 23 ILE J CG1 1 +ATOM 18075 C CG2 . ILE J 1 24 ? 48.244 85.774 93.629 1.00 12.42 ? ? ? ? ? ? 23 ILE J CG2 1 +ATOM 18076 C CD1 . ILE J 1 24 ? 51.373 84.698 94.247 1.00 18.57 ? ? ? ? ? ? 23 ILE J CD1 1 +ATOM 18077 N N . ILE J 1 25 ? 48.110 85.329 90.377 1.00 17.96 ? ? ? ? ? ? 24 ILE J N 1 +ATOM 18078 C CA . ILE J 1 25 ? 47.000 85.521 89.445 1.00 16.77 ? ? ? ? ? ? 24 ILE J CA 1 +ATOM 18079 C C . ILE J 1 25 ? 45.721 85.203 90.175 1.00 16.88 ? ? ? ? ? ? 24 ILE J C 1 +ATOM 18080 O O . ILE J 1 25 ? 45.578 84.100 90.721 1.00 17.56 ? ? ? ? ? ? 24 ILE J O 1 +ATOM 18081 C CB . ILE J 1 25 ? 47.030 84.551 88.234 1.00 15.90 ? ? ? ? ? ? 24 ILE J CB 1 +ATOM 18082 C CG1 . ILE J 1 25 ? 48.415 84.461 87.570 1.00 17.47 ? ? ? ? ? ? 24 ILE J CG1 1 +ATOM 18083 C CG2 . ILE J 1 25 ? 45.994 84.974 87.237 1.00 16.23 ? ? ? ? ? ? 24 ILE J CG2 1 +ATOM 18084 C CD1 . ILE J 1 25 ? 48.956 85.775 87.119 1.00 18.31 ? ? ? ? ? ? 24 ILE J CD1 1 +ATOM 18085 N N . LEU J 1 26 ? 44.793 86.150 90.158 1.00 16.90 ? ? ? ? ? ? 25 LEU J N 1 +ATOM 18086 C CA . LEU J 1 26 ? 43.530 86.024 90.838 1.00 17.64 ? ? ? ? ? ? 25 LEU J CA 1 +ATOM 18087 C C . LEU J 1 26 ? 42.378 86.006 89.825 1.00 17.96 ? ? ? ? ? ? 25 LEU J C 1 +ATOM 18088 O O . LEU J 1 26 ? 42.017 87.059 89.303 1.00 19.03 ? ? ? ? ? ? 25 LEU J O 1 +ATOM 18089 C CB . LEU J 1 26 ? 43.372 87.205 91.802 1.00 16.98 ? ? ? ? ? ? 25 LEU J CB 1 +ATOM 18090 C CG . LEU J 1 26 ? 42.090 87.232 92.614 1.00 16.13 ? ? ? ? ? ? 25 LEU J CG 1 +ATOM 18091 C CD1 . LEU J 1 26 ? 41.960 85.982 93.509 1.00 14.59 ? ? ? ? ? ? 25 LEU J CD1 1 +ATOM 18092 C CD2 . LEU J 1 26 ? 42.026 88.545 93.382 1.00 15.21 ? ? ? ? ? ? 25 LEU J CD2 1 +ATOM 18093 N N . PRO J 1 27 ? 41.825 84.815 89.529 1.00 18.66 ? ? ? ? ? ? 26 PRO J N 1 +ATOM 18094 C CA . PRO J 1 27 ? 40.664 84.751 88.698 1.00 18.37 ? ? ? ? ? ? 26 PRO J CA 1 +ATOM 18095 C C . PRO J 1 27 ? 39.478 85.378 89.426 1.00 18.78 ? ? ? ? ? ? 26 PRO J C 1 +ATOM 18096 O O . PRO J 1 27 ? 39.247 85.127 90.617 1.00 18.58 ? ? ? ? ? ? 26 PRO J O 1 +ATOM 18097 C CB . PRO J 1 27 ? 40.465 83.234 88.466 1.00 16.51 ? ? ? ? ? ? 26 PRO J CB 1 +ATOM 18098 C CG . PRO J 1 27 ? 41.706 82.604 88.860 1.00 16.18 ? ? ? ? ? ? 26 PRO J CG 1 +ATOM 18099 C CD . PRO J 1 27 ? 42.237 83.453 89.951 1.00 20.54 ? ? ? ? ? ? 26 PRO J CD 1 +ATOM 18100 N N . TRP J 1 28 ? 38.717 86.186 88.708 1.00 18.83 ? ? ? ? ? ? 27 TRP J N 1 +ATOM 18101 C CA . TRP J 1 28 ? 37.574 86.848 89.323 1.00 17.45 ? ? ? ? ? ? 27 TRP J CA 1 +ATOM 18102 C C . TRP J 1 28 ? 36.362 86.740 88.415 1.00 16.55 ? ? ? ? ? ? 27 TRP J C 1 +ATOM 18103 O O . TRP J 1 28 ? 36.313 87.314 87.334 1.00 17.30 ? ? ? ? ? ? 27 TRP J O 1 +ATOM 18104 C CB . TRP J 1 28 ? 37.912 88.302 89.722 1.00 14.87 ? ? ? ? ? ? 27 TRP J CB 1 +ATOM 18105 C CG . TRP J 1 28 ? 36.986 88.847 90.787 1.00 17.95 ? ? ? ? ? ? 27 TRP J CG 1 +ATOM 18106 C CD1 . TRP J 1 28 ? 35.639 88.767 90.791 1.00 13.80 ? ? ? ? ? ? 27 TRP J CD1 1 +ATOM 18107 C CD2 . TRP J 1 28 ? 37.344 89.574 91.971 1.00 15.75 ? ? ? ? ? ? 27 TRP J CD2 1 +ATOM 18108 N NE1 . TRP J 1 28 ? 35.124 89.373 91.905 1.00 17.63 ? ? ? ? ? ? 27 TRP J NE1 1 +ATOM 18109 C CE2 . TRP J 1 28 ? 36.147 89.893 92.640 1.00 17.77 ? ? ? ? ? ? 27 TRP J CE2 1 +ATOM 18110 C CE3 . TRP J 1 28 ? 38.552 89.981 92.527 1.00 16.07 ? ? ? ? ? ? 27 TRP J CE3 1 +ATOM 18111 C CZ2 . TRP J 1 28 ? 36.124 90.568 93.864 1.00 18.47 ? ? ? ? ? ? 27 TRP J CZ2 1 +ATOM 18112 C CZ3 . TRP J 1 28 ? 38.531 90.652 93.725 1.00 17.19 ? ? ? ? ? ? 27 TRP J CZ3 1 +ATOM 18113 C CH2 . TRP J 1 28 ? 37.329 90.948 94.379 1.00 18.36 ? ? ? ? ? ? 27 TRP J CH2 1 +ATOM 18114 N N . GLY J 1 29 ? 35.366 86.005 88.876 1.00 15.99 ? ? ? ? ? ? 28 GLY J N 1 +ATOM 18115 C CA . GLY J 1 29 ? 34.193 85.749 88.074 1.00 16.67 ? ? ? ? ? ? 28 GLY J CA 1 +ATOM 18116 C C . GLY J 1 29 ? 32.915 86.319 88.669 1.00 16.97 ? ? ? ? ? ? 28 GLY J C 1 +ATOM 18117 O O . GLY J 1 29 ? 32.820 87.508 88.973 1.00 16.27 ? ? ? ? ? ? 28 GLY J O 1 +ATOM 18118 N N . ALA J 1 30 ? 31.937 85.430 88.804 1.00 17.49 ? ? ? ? ? ? 29 ALA J N 1 +ATOM 18119 C CA . ALA J 1 30 ? 30.560 85.780 89.023 1.00 16.93 ? ? ? ? ? ? 29 ALA J CA 1 +ATOM 18120 C C . ALA J 1 30 ? 29.801 84.467 89.171 1.00 17.84 ? ? ? ? ? ? 29 ALA J C 1 +ATOM 18121 O O . ALA J 1 30 ? 30.264 83.417 88.688 1.00 18.52 ? ? ? ? ? ? 29 ALA J O 1 +ATOM 18122 C CB . ALA J 1 30 ? 30.023 86.579 87.839 1.00 13.53 ? ? ? ? ? ? 29 ALA J CB 1 +ATOM 18123 N N . THR J 1 31 ? 28.671 84.522 89.879 1.00 18.62 ? ? ? ? ? ? 30 THR J N 1 +ATOM 18124 C CA . THR J 1 31 ? 27.714 83.435 89.957 1.00 18.61 ? ? ? ? ? ? 30 THR J CA 1 +ATOM 18125 C C . THR J 1 31 ? 26.450 83.944 89.234 1.00 19.88 ? ? ? ? ? ? 30 THR J C 1 +ATOM 18126 O O . THR J 1 31 ? 25.696 84.730 89.800 1.00 19.31 ? ? ? ? ? ? 30 THR J O 1 +ATOM 18127 C CB . THR J 1 31 ? 27.379 83.046 91.433 1.00 19.56 ? ? ? ? ? ? 30 THR J CB 1 +ATOM 18128 O OG1 . THR J 1 31 ? 28.568 82.717 92.133 1.00 19.65 ? ? ? ? ? ? 30 THR J OG1 1 +ATOM 18129 C CG2 . THR J 1 31 ? 26.444 81.850 91.495 1.00 13.63 ? ? ? ? ? ? 30 THR J CG2 1 +ATOM 18130 N N . GLU J 1 32 ? 26.237 83.482 87.995 1.00 20.54 ? ? ? ? ? ? 31 GLU J N 1 +ATOM 18131 C CA . GLU J 1 32 ? 25.363 84.167 87.020 1.00 20.75 ? ? ? ? ? ? 31 GLU J CA 1 +ATOM 18132 C C . GLU J 1 32 ? 24.773 83.199 85.986 1.00 21.08 ? ? ? ? ? ? 31 GLU J C 1 +ATOM 18133 O O . GLU J 1 32 ? 25.499 82.442 85.346 1.00 21.27 ? ? ? ? ? ? 31 GLU J O 1 +ATOM 18134 C CB . GLU J 1 32 ? 26.216 85.186 86.286 1.00 21.17 ? ? ? ? ? ? 31 GLU J CB 1 +ATOM 18135 C CG . GLU J 1 32 ? 25.492 86.164 85.422 1.00 21.04 ? ? ? ? ? ? 31 GLU J CG 1 +ATOM 18136 C CD . GLU J 1 32 ? 26.439 87.000 84.555 1.00 23.61 ? ? ? ? ? ? 31 GLU J CD 1 +ATOM 18137 O OE1 . GLU J 1 32 ? 27.573 86.538 84.298 1.00 22.89 ? ? ? ? ? ? 31 GLU J OE1 1 +ATOM 18138 O OE2 . GLU J 1 32 ? 26.031 88.092 84.094 1.00 27.06 ? ? ? ? ? ? 31 GLU J OE2 1 +ATOM 18139 N N . PRO J 1 33 ? 23.443 83.198 85.816 1.00 22.41 ? ? ? ? ? ? 32 PRO J N 1 +ATOM 18140 C CA . PRO J 1 33 ? 22.917 82.401 84.707 1.00 22.36 ? ? ? ? ? ? 32 PRO J CA 1 +ATOM 18141 C C . PRO J 1 33 ? 23.555 82.792 83.355 1.00 21.33 ? ? ? ? ? ? 32 PRO J C 1 +ATOM 18142 O O . PRO J 1 33 ? 23.720 83.980 83.083 1.00 20.64 ? ? ? ? ? ? 32 PRO J O 1 +ATOM 18143 C CB . PRO J 1 33 ? 21.431 82.760 84.679 1.00 23.57 ? ? ? ? ? ? 32 PRO J CB 1 +ATOM 18144 C CG . PRO J 1 33 ? 21.128 83.415 85.943 1.00 23.94 ? ? ? ? ? ? 32 PRO J CG 1 +ATOM 18145 C CD . PRO J 1 33 ? 22.390 83.872 86.586 1.00 20.09 ? ? ? ? ? ? 32 PRO J CD 1 +ATOM 18146 N N . HIS J 1 34 ? 23.885 81.782 82.536 1.00 20.90 ? ? ? ? ? ? 33 HIS J N 1 +ATOM 18147 C CA . HIS J 1 34 ? 24.548 81.944 81.236 1.00 20.03 ? ? ? ? ? ? 33 HIS J CA 1 +ATOM 18148 C C . HIS J 1 34 ? 23.729 81.256 80.133 1.00 20.53 ? ? ? ? ? ? 33 HIS J C 1 +ATOM 18149 O O . HIS J 1 34 ? 23.971 80.085 79.798 1.00 18.22 ? ? ? ? ? ? 33 HIS J O 1 +ATOM 18150 C CB . HIS J 1 34 ? 25.970 81.360 81.312 1.00 18.41 ? ? ? ? ? ? 33 HIS J CB 1 +ATOM 18151 C CG . HIS J 1 34 ? 27.005 82.336 81.767 1.00 18.01 ? ? ? ? ? ? 33 HIS J CG 1 +ATOM 18152 N ND1 . HIS J 1 34 ? 27.157 82.722 83.088 1.00 18.70 ? ? ? ? ? ? 33 HIS J ND1 1 +ATOM 18153 C CD2 . HIS J 1 34 ? 27.972 82.986 81.073 1.00 20.78 ? ? ? ? ? ? 33 HIS J CD2 1 +ATOM 18154 C CE1 . HIS J 1 34 ? 28.143 83.595 83.175 1.00 20.20 ? ? ? ? ? ? 33 HIS J CE1 1 +ATOM 18155 N NE2 . HIS J 1 34 ? 28.660 83.771 81.969 1.00 18.22 ? ? ? ? ? ? 33 HIS J NE2 1 +ATOM 18156 N N . ASN J 1 35 ? 22.726 81.976 79.597 1.00 21.37 ? ? ? ? ? ? 34 ASN J N 1 +ATOM 18157 C CA . ASN J 1 35 ? 21.731 81.339 78.709 1.00 22.41 ? ? ? ? ? ? 34 ASN J CA 1 +ATOM 18158 C C . ASN J 1 35 ? 21.216 80.083 79.468 1.00 23.52 ? ? ? ? ? ? 34 ASN J C 1 +ATOM 18159 O O . ASN J 1 35 ? 21.256 80.031 80.702 1.00 23.68 ? ? ? ? ? ? 34 ASN J O 1 +ATOM 18160 C CB . ASN J 1 35 ? 22.373 81.011 77.345 1.00 20.71 ? ? ? ? ? ? 34 ASN J CB 1 +ATOM 18161 C CG . ASN J 1 35 ? 21.367 80.747 76.230 1.00 19.95 ? ? ? ? ? ? 34 ASN J CG 1 +ATOM 18162 O OD1 . ASN J 1 35 ? 20.376 80.023 76.388 1.00 20.60 ? ? ? ? ? ? 34 ASN J OD1 1 +ATOM 18163 N ND2 . ASN J 1 35 ? 21.656 81.286 75.069 1.00 19.67 ? ? ? ? ? ? 34 ASN J ND2 1 +ATOM 18164 N N . LEU J 1 36 ? 20.764 79.068 78.743 1.00 23.99 ? ? ? ? ? ? 35 LEU J N 1 +ATOM 18165 C CA . LEU J 1 36 ? 20.214 77.889 79.370 1.00 23.29 ? ? ? ? ? ? 35 LEU J CA 1 +ATOM 18166 C C . LEU J 1 36 ? 21.228 76.751 79.539 1.00 22.19 ? ? ? ? ? ? 35 LEU J C 1 +ATOM 18167 O O . LEU J 1 36 ? 20.993 75.853 80.347 1.00 24.12 ? ? ? ? ? ? 35 LEU J O 1 +ATOM 18168 C CB . LEU J 1 36 ? 18.992 77.397 78.572 1.00 22.87 ? ? ? ? ? ? 35 LEU J CB 1 +ATOM 18169 C CG . LEU J 1 36 ? 17.813 78.353 78.487 1.00 24.51 ? ? ? ? ? ? 35 LEU J CG 1 +ATOM 18170 C CD1 . LEU J 1 36 ? 16.869 77.918 77.358 1.00 23.13 ? ? ? ? ? ? 35 LEU J CD1 1 +ATOM 18171 C CD2 . LEU J 1 36 ? 17.092 78.390 79.804 1.00 23.38 ? ? ? ? ? ? 35 LEU J CD2 1 +ATOM 18172 N N . HIS J 1 37 ? 22.345 76.816 78.809 1.00 22.18 ? ? ? ? ? ? 36 HIS J N 1 +ATOM 18173 C CA . HIS J 1 37 ? 23.292 75.687 78.634 1.00 21.75 ? ? ? ? ? ? 36 HIS J CA 1 +ATOM 18174 C C . HIS J 1 37 ? 24.642 75.816 79.353 1.00 22.37 ? ? ? ? ? ? 36 HIS J C 1 +ATOM 18175 O O . HIS J 1 37 ? 25.319 74.814 79.579 1.00 23.08 ? ? ? ? ? ? 36 HIS J O 1 +ATOM 18176 C CB . HIS J 1 37 ? 23.569 75.463 77.125 1.00 20.28 ? ? ? ? ? ? 36 HIS J CB 1 +ATOM 18177 C CG . HIS J 1 37 ? 24.274 76.619 76.472 1.00 21.32 ? ? ? ? ? ? 36 HIS J CG 1 +ATOM 18178 N ND1 . HIS J 1 37 ? 23.813 77.915 76.556 1.00 18.82 ? ? ? ? ? ? 36 HIS J ND1 1 +ATOM 18179 C CD2 . HIS J 1 37 ? 25.413 76.679 75.744 1.00 18.75 ? ? ? ? ? ? 36 HIS J CD2 1 +ATOM 18180 C CE1 . HIS J 1 37 ? 24.645 78.725 75.929 1.00 18.47 ? ? ? ? ? ? 36 HIS J CE1 1 +ATOM 18181 N NE2 . HIS J 1 37 ? 25.618 77.998 75.413 1.00 18.67 ? ? ? ? ? ? 36 HIS J NE2 1 +ATOM 18182 N N . LEU J 1 38 ? 25.083 77.031 79.679 1.00 21.45 ? ? ? ? ? ? 37 LEU J N 1 +ATOM 18183 C CA . LEU J 1 38 ? 26.400 77.199 80.300 1.00 20.27 ? ? ? ? ? ? 37 LEU J CA 1 +ATOM 18184 C C . LEU J 1 38 ? 26.312 77.238 81.837 1.00 19.93 ? ? ? ? ? ? 37 LEU J C 1 +ATOM 18185 O O . LEU J 1 38 ? 25.286 77.645 82.435 1.00 20.24 ? ? ? ? ? ? 37 LEU J O 1 +ATOM 18186 C CB . LEU J 1 38 ? 27.105 78.458 79.780 1.00 19.31 ? ? ? ? ? ? 37 LEU J CB 1 +ATOM 18187 C CG . LEU J 1 38 ? 27.719 78.406 78.376 1.00 17.83 ? ? ? ? ? ? 37 LEU J CG 1 +ATOM 18188 C CD1 . LEU J 1 38 ? 28.007 79.810 77.876 1.00 17.34 ? ? ? ? ? ? 37 LEU J CD1 1 +ATOM 18189 C CD2 . LEU J 1 38 ? 28.982 77.526 78.386 1.00 18.59 ? ? ? ? ? ? 37 LEU J CD2 1 +ATOM 18190 N N . PRO J 1 39 ? 27.384 76.823 82.495 1.00 21.18 ? ? ? ? ? ? 38 PRO J N 1 +ATOM 18191 C CA . PRO J 1 39 ? 27.395 76.844 83.967 1.00 20.94 ? ? ? ? ? ? 38 PRO J CA 1 +ATOM 18192 C C . PRO J 1 39 ? 27.201 78.215 84.619 1.00 19.77 ? ? ? ? ? ? 38 PRO J C 1 +ATOM 18193 O O . PRO J 1 39 ? 27.663 79.238 84.082 1.00 18.95 ? ? ? ? ? ? 38 PRO J O 1 +ATOM 18194 C CB . PRO J 1 39 ? 28.786 76.317 84.309 1.00 22.33 ? ? ? ? ? ? 38 PRO J CB 1 +ATOM 18195 C CG . PRO J 1 39 ? 29.250 75.601 83.097 1.00 21.05 ? ? ? ? ? ? 38 PRO J CG 1 +ATOM 18196 C CD . PRO J 1 39 ? 28.627 76.266 81.937 1.00 20.42 ? ? ? ? ? ? 38 PRO J CD 1 +ATOM 18197 N N . TYR J 1 40 ? 26.499 78.231 85.758 1.00 19.28 ? ? ? ? ? ? 39 TYR J N 1 +ATOM 18198 C CA . TYR J 1 40 ? 26.474 79.426 86.640 1.00 18.96 ? ? ? ? ? ? 39 TYR J CA 1 +ATOM 18199 C C . TYR J 1 40 ? 27.881 79.954 86.941 1.00 18.15 ? ? ? ? ? ? 39 TYR J C 1 +ATOM 18200 O O . TYR J 1 40 ? 28.065 81.141 87.090 1.00 18.61 ? ? ? ? ? ? 39 TYR J O 1 +ATOM 18201 C CB . TYR J 1 40 ? 25.762 79.100 87.950 1.00 18.69 ? ? ? ? ? ? 39 TYR J CB 1 +ATOM 18202 C CG . TYR J 1 40 ? 24.256 79.186 87.877 1.00 17.15 ? ? ? ? ? ? 39 TYR J CG 1 +ATOM 18203 C CD1 . TYR J 1 40 ? 23.468 78.109 87.466 1.00 20.66 ? ? ? ? ? ? 39 TYR J CD1 1 +ATOM 18204 C CD2 . TYR J 1 40 ? 23.623 80.315 88.275 1.00 17.98 ? ? ? ? ? ? 39 TYR J CD2 1 +ATOM 18205 C CE1 . TYR J 1 40 ? 22.036 78.217 87.424 1.00 18.67 ? ? ? ? ? ? 39 TYR J CE1 1 +ATOM 18206 C CE2 . TYR J 1 40 ? 22.237 80.425 88.240 1.00 21.60 ? ? ? ? ? ? 39 TYR J CE2 1 +ATOM 18207 C CZ . TYR J 1 40 ? 21.446 79.390 87.816 1.00 19.16 ? ? ? ? ? ? 39 TYR J CZ 1 +ATOM 18208 O OH . TYR J 1 40 ? 20.041 79.598 87.814 1.00 22.58 ? ? ? ? ? ? 39 TYR J OH 1 +ATOM 18209 N N . LEU J 1 41 ? 28.876 79.059 87.017 1.00 18.49 ? ? ? ? ? ? 40 LEU J N 1 +ATOM 18210 C CA . LEU J 1 41 ? 30.260 79.468 87.305 1.00 17.65 ? ? ? ? ? ? 40 LEU J CA 1 +ATOM 18211 C C . LEU J 1 41 ? 31.216 79.717 86.130 1.00 17.56 ? ? ? ? ? ? 40 LEU J C 1 +ATOM 18212 O O . LEU J 1 41 ? 32.413 79.811 86.333 1.00 18.50 ? ? ? ? ? ? 40 LEU J O 1 +ATOM 18213 C CB . LEU J 1 41 ? 30.870 78.477 88.305 1.00 17.52 ? ? ? ? ? ? 40 LEU J CB 1 +ATOM 18214 C CG . LEU J 1 41 ? 30.239 78.529 89.690 1.00 18.35 ? ? ? ? ? ? 40 LEU J CG 1 +ATOM 18215 C CD1 . LEU J 1 41 ? 30.809 77.429 90.543 1.00 18.62 ? ? ? ? ? ? 40 LEU J CD1 1 +ATOM 18216 C CD2 . LEU J 1 41 ? 30.445 79.888 90.309 1.00 17.59 ? ? ? ? ? ? 40 LEU J CD2 1 +ATOM 18217 N N . THR J 1 42 ? 30.688 79.862 84.927 1.00 18.83 ? ? ? ? ? ? 41 THR J N 1 +ATOM 18218 C CA . THR J 1 42 ? 31.469 80.103 83.686 1.00 18.33 ? ? ? ? ? ? 41 THR J CA 1 +ATOM 18219 C C . THR J 1 42 ? 32.524 81.186 83.880 1.00 18.87 ? ? ? ? ? ? 41 THR J C 1 +ATOM 18220 O O . THR J 1 42 ? 33.699 81.011 83.527 1.00 18.35 ? ? ? ? ? ? 41 THR J O 1 +ATOM 18221 C CB . THR J 1 42 ? 30.487 80.463 82.467 1.00 18.73 ? ? ? ? ? ? 41 THR J CB 1 +ATOM 18222 O OG1 . THR J 1 42 ? 29.596 79.372 82.253 1.00 19.17 ? ? ? ? ? ? 41 THR J OG1 1 +ATOM 18223 C CG2 . THR J 1 42 ? 31.214 80.785 81.138 1.00 14.61 ? ? ? ? ? ? 41 THR J CG2 1 +ATOM 18224 N N . ASP J 1 43 ? 32.141 82.297 84.505 1.00 19.47 ? ? ? ? ? ? 42 ASP J N 1 +ATOM 18225 C CA . ASP J 1 43 ? 33.071 83.404 84.667 1.00 17.66 ? ? ? ? ? ? 42 ASP J CA 1 +ATOM 18226 C C . ASP J 1 43 ? 34.212 83.141 85.634 1.00 18.54 ? ? ? ? ? ? 42 ASP J C 1 +ATOM 18227 O O . ASP J 1 43 ? 35.203 83.881 85.644 1.00 17.54 ? ? ? ? ? ? 42 ASP J O 1 +ATOM 18228 C CB . ASP J 1 43 ? 32.331 84.675 85.074 1.00 20.70 ? ? ? ? ? ? 42 ASP J CB 1 +ATOM 18229 C CG . ASP J 1 43 ? 31.365 85.153 84.013 1.00 19.24 ? ? ? ? ? ? 42 ASP J CG 1 +ATOM 18230 O OD1 . ASP J 1 43 ? 31.387 84.608 82.877 1.00 19.39 ? ? ? ? ? ? 42 ASP J OD1 1 +ATOM 18231 O OD2 . ASP J 1 43 ? 30.607 86.092 84.322 1.00 23.78 ? ? ? ? ? ? 42 ASP J OD2 1 +ATOM 18232 N N . CYS J 1 44 ? 34.061 82.113 86.473 1.00 18.93 ? ? ? ? ? ? 43 CYS J N 1 +ATOM 18233 C CA . CYS J 1 44 ? 35.157 81.668 87.319 1.00 19.76 ? ? ? ? ? ? 43 CYS J CA 1 +ATOM 18234 C C . CYS J 1 44 ? 35.976 80.637 86.570 1.00 19.21 ? ? ? ? ? ? 43 CYS J C 1 +ATOM 18235 O O . CYS J 1 44 ? 37.196 80.700 86.559 1.00 19.21 ? ? ? ? ? ? 43 CYS J O 1 +ATOM 18236 C CB . CYS J 1 44 ? 34.645 81.051 88.612 1.00 19.11 ? ? ? ? ? ? 43 CYS J CB 1 +ATOM 18237 S SG . CYS J 1 44 ? 33.873 82.218 89.708 1.00 23.27 ? ? ? ? ? ? 43 CYS J SG 1 +ATOM 18238 N N . ILE J 1 45 ? 35.297 79.667 85.977 1.00 18.82 ? ? ? ? ? ? 44 ILE J N 1 +ATOM 18239 C CA . ILE J 1 45 ? 35.969 78.530 85.338 1.00 18.77 ? ? ? ? ? ? 44 ILE J CA 1 +ATOM 18240 C C . ILE J 1 45 ? 36.894 78.988 84.237 1.00 19.53 ? ? ? ? ? ? 44 ILE J C 1 +ATOM 18241 O O . ILE J 1 45 ? 38.059 78.583 84.174 1.00 20.60 ? ? ? ? ? ? 44 ILE J O 1 +ATOM 18242 C CB . ILE J 1 45 ? 34.966 77.523 84.785 1.00 19.26 ? ? ? ? ? ? 44 ILE J CB 1 +ATOM 18243 C CG1 . ILE J 1 45 ? 34.165 76.886 85.936 1.00 21.34 ? ? ? ? ? ? 44 ILE J CG1 1 +ATOM 18244 C CG2 . ILE J 1 45 ? 35.675 76.376 83.984 1.00 18.92 ? ? ? ? ? ? 44 ILE J CG2 1 +ATOM 18245 C CD1 . ILE J 1 45 ? 32.890 76.209 85.503 1.00 16.20 ? ? ? ? ? ? 44 ILE J CD1 1 +ATOM 18246 N N . LEU J 1 46 ? 36.401 79.849 83.356 1.00 19.38 ? ? ? ? ? ? 45 LEU J N 1 +ATOM 18247 C CA . LEU J 1 46 ? 37.183 80.153 82.158 1.00 19.23 ? ? ? ? ? ? 45 LEU J CA 1 +ATOM 18248 C C . LEU J 1 46 ? 38.495 80.868 82.436 1.00 18.35 ? ? ? ? ? ? 45 LEU J C 1 +ATOM 18249 O O . LEU J 1 46 ? 39.520 80.428 81.941 1.00 18.88 ? ? ? ? ? ? 45 LEU J O 1 +ATOM 18250 C CB . LEU J 1 46 ? 36.352 80.886 81.109 1.00 20.07 ? ? ? ? ? ? 45 LEU J CB 1 +ATOM 18251 C CG . LEU J 1 46 ? 35.143 80.115 80.561 1.00 22.30 ? ? ? ? ? ? 45 LEU J CG 1 +ATOM 18252 C CD1 . LEU J 1 46 ? 34.458 80.979 79.462 1.00 16.91 ? ? ? ? ? ? 45 LEU J CD1 1 +ATOM 18253 C CD2 . LEU J 1 46 ? 35.548 78.695 80.087 1.00 16.37 ? ? ? ? ? ? 45 LEU J CD2 1 +ATOM 18254 N N . PRO J 1 47 ? 38.482 81.979 83.201 1.00 18.71 ? ? ? ? ? ? 46 PRO J N 1 +ATOM 18255 C CA . PRO J 1 47 ? 39.777 82.593 83.490 1.00 18.33 ? ? ? ? ? ? 46 PRO J CA 1 +ATOM 18256 C C . PRO J 1 47 ? 40.672 81.733 84.353 1.00 18.59 ? ? ? ? ? ? 46 PRO J C 1 +ATOM 18257 O O . PRO J 1 47 ? 41.879 81.896 84.282 1.00 20.83 ? ? ? ? ? ? 46 PRO J O 1 +ATOM 18258 C CB . PRO J 1 47 ? 39.426 83.892 84.224 1.00 20.20 ? ? ? ? ? ? 46 PRO J CB 1 +ATOM 18259 C CG . PRO J 1 47 ? 38.016 83.696 84.742 1.00 18.46 ? ? ? ? ? ? 46 PRO J CG 1 +ATOM 18260 C CD . PRO J 1 47 ? 37.361 82.771 83.741 1.00 18.86 ? ? ? ? ? ? 46 PRO J CD 1 +ATOM 18261 N N . HIS J 1 48 ? 40.101 80.839 85.155 1.00 19.33 ? ? ? ? ? ? 47 HIS J N 1 +ATOM 18262 C CA . HIS J 1 48 ? 40.920 79.930 85.938 1.00 21.18 ? ? ? ? ? ? 47 HIS J CA 1 +ATOM 18263 C C . HIS J 1 48 ? 41.751 79.004 85.038 1.00 19.74 ? ? ? ? ? ? 47 HIS J C 1 +ATOM 18264 O O . HIS J 1 48 ? 42.969 78.876 85.202 1.00 18.89 ? ? ? ? ? ? 47 HIS J O 1 +ATOM 18265 C CB . HIS J 1 48 ? 40.063 79.101 86.912 1.00 21.63 ? ? ? ? ? ? 47 HIS J CB 1 +ATOM 18266 C CG . HIS J 1 48 ? 40.825 78.008 87.595 1.00 20.29 ? ? ? ? ? ? 47 HIS J CG 1 +ATOM 18267 N ND1 . HIS J 1 48 ? 40.996 76.758 87.036 1.00 27.78 ? ? ? ? ? ? 47 HIS J ND1 1 +ATOM 18268 C CD2 . HIS J 1 48 ? 41.513 77.995 88.759 1.00 21.35 ? ? ? ? ? ? 47 HIS J CD2 1 +ATOM 18269 C CE1 . HIS J 1 48 ? 41.739 76.018 87.841 1.00 24.08 ? ? ? ? ? ? 47 HIS J CE1 1 +ATOM 18270 N NE2 . HIS J 1 48 ? 42.062 76.747 88.894 1.00 23.41 ? ? ? ? ? ? 47 HIS J NE2 1 +ATOM 18271 N N . ASP J 1 49 ? 41.064 78.373 84.091 1.00 21.08 ? ? ? ? ? ? 48 ASP J N 1 +ATOM 18272 C CA . ASP J 1 49 ? 41.684 77.440 83.132 1.00 21.20 ? ? ? ? ? ? 48 ASP J CA 1 +ATOM 18273 C C . ASP J 1 49 ? 42.651 78.136 82.191 1.00 20.55 ? ? ? ? ? ? 48 ASP J C 1 +ATOM 18274 O O . ASP J 1 49 ? 43.747 77.620 81.953 1.00 21.54 ? ? ? ? ? ? 48 ASP J O 1 +ATOM 18275 C CB . ASP J 1 49 ? 40.595 76.692 82.364 1.00 23.30 ? ? ? ? ? ? 48 ASP J CB 1 +ATOM 18276 C CG . ASP J 1 49 ? 39.787 75.754 83.263 1.00 26.69 ? ? ? ? ? ? 48 ASP J CG 1 +ATOM 18277 O OD1 . ASP J 1 49 ? 40.097 75.661 84.490 1.00 30.15 ? ? ? ? ? ? 48 ASP J OD1 1 +ATOM 18278 O OD2 . ASP J 1 49 ? 38.833 75.125 82.737 1.00 28.37 ? ? ? ? ? ? 48 ASP J OD2 1 +ATOM 18279 N N . ILE J 1 50 ? 42.281 79.331 81.714 1.00 19.75 ? ? ? ? ? ? 49 ILE J N 1 +ATOM 18280 C CA . ILE J 1 50 ? 43.191 80.162 80.948 1.00 18.48 ? ? ? ? ? ? 49 ILE J CA 1 +ATOM 18281 C C . ILE J 1 50 ? 44.432 80.534 81.749 1.00 19.75 ? ? ? ? ? ? 49 ILE J C 1 +ATOM 18282 O O . ILE J 1 50 ? 45.572 80.354 81.274 1.00 20.76 ? ? ? ? ? ? 49 ILE J O 1 +ATOM 18283 C CB . ILE J 1 50 ? 42.519 81.436 80.418 1.00 18.53 ? ? ? ? ? ? 49 ILE J CB 1 +ATOM 18284 C CG1 . ILE J 1 50 ? 41.566 81.088 79.269 1.00 19.46 ? ? ? ? ? ? 49 ILE J CG1 1 +ATOM 18285 C CG2 . ILE J 1 50 ? 43.564 82.430 79.892 1.00 18.75 ? ? ? ? ? ? 49 ILE J CG2 1 +ATOM 18286 C CD1 . ILE J 1 50 ? 40.520 82.133 78.998 1.00 19.54 ? ? ? ? ? ? 49 ILE J CD1 1 +ATOM 18287 N N . ALA J 1 51 ? 44.227 81.031 82.969 1.00 19.52 ? ? ? ? ? ? 50 ALA J N 1 +ATOM 18288 C CA . ALA J 1 51 ? 45.357 81.445 83.805 1.00 19.44 ? ? ? ? ? ? 50 ALA J CA 1 +ATOM 18289 C C . ALA J 1 51 ? 46.286 80.270 84.080 1.00 18.83 ? ? ? ? ? ? 50 ALA J C 1 +ATOM 18290 O O . ALA J 1 51 ? 47.479 80.418 84.007 1.00 20.19 ? ? ? ? ? ? 50 ALA J O 1 +ATOM 18291 C CB . ALA J 1 51 ? 44.856 82.098 85.123 1.00 15.46 ? ? ? ? ? ? 50 ALA J CB 1 +ATOM 18292 N N . VAL J 1 52 ? 45.753 79.099 84.395 1.00 19.21 ? ? ? ? ? ? 51 VAL J N 1 +ATOM 18293 C CA . VAL J 1 52 ? 46.616 77.951 84.703 1.00 20.67 ? ? ? ? ? ? 51 VAL J CA 1 +ATOM 18294 C C . VAL J 1 52 ? 47.471 77.556 83.498 1.00 20.92 ? ? ? ? ? ? 51 VAL J C 1 +ATOM 18295 O O . VAL J 1 52 ? 48.656 77.327 83.631 1.00 21.24 ? ? ? ? ? ? 51 VAL J O 1 +ATOM 18296 C CB . VAL J 1 52 ? 45.803 76.741 85.213 1.00 21.48 ? ? ? ? ? ? 51 VAL J CB 1 +ATOM 18297 C CG1 . VAL J 1 52 ? 46.629 75.430 85.205 1.00 17.93 ? ? ? ? ? ? 51 VAL J CG1 1 +ATOM 18298 C CG2 . VAL J 1 52 ? 45.278 77.003 86.571 1.00 17.99 ? ? ? ? ? ? 51 VAL J CG2 1 +ATOM 18299 N N . GLU J 1 53 ? 46.838 77.492 82.331 1.00 21.97 ? ? ? ? ? ? 52 GLU J N 1 +ATOM 18300 C CA . GLU J 1 53 ? 47.504 77.205 81.044 1.00 23.77 ? ? ? ? ? ? 52 GLU J CA 1 +ATOM 18301 C C . GLU J 1 53 ? 48.602 78.194 80.757 1.00 21.60 ? ? ? ? ? ? 52 GLU J C 1 +ATOM 18302 O O . GLU J 1 53 ? 49.695 77.789 80.362 1.00 23.04 ? ? ? ? ? ? 52 GLU J O 1 +ATOM 18303 C CB . GLU J 1 53 ? 46.486 77.217 79.903 1.00 24.60 ? ? ? ? ? ? 52 GLU J CB 1 +ATOM 18304 C CG . GLU J 1 53 ? 46.862 76.425 78.670 1.00 29.91 ? ? ? ? ? ? 52 GLU J CG 1 +ATOM 18305 C CD . GLU J 1 53 ? 45.661 75.758 78.019 1.00 34.63 ? ? ? ? ? ? 52 GLU J CD 1 +ATOM 18306 O OE1 . GLU J 1 53 ? 44.987 76.397 77.178 1.00 39.71 ? ? ? ? ? ? 52 GLU J OE1 1 +ATOM 18307 O OE2 . GLU J 1 53 ? 45.400 74.575 78.359 1.00 43.14 ? ? ? ? ? ? 52 GLU J OE2 1 +ATOM 18308 N N . ALA J 1 54 ? 48.339 79.478 81.004 1.00 20.97 ? ? ? ? ? ? 53 ALA J N 1 +ATOM 18309 C CA . ALA J 1 54 ? 49.354 80.514 80.803 1.00 19.49 ? ? ? ? ? ? 53 ALA J CA 1 +ATOM 18310 C C . ALA J 1 54 ? 50.492 80.419 81.835 1.00 20.44 ? ? ? ? ? ? 53 ALA J C 1 +ATOM 18311 O O . ALA J 1 54 ? 51.664 80.669 81.517 1.00 20.84 ? ? ? ? ? ? 53 ALA J O 1 +ATOM 18312 C CB . ALA J 1 54 ? 48.702 81.949 80.798 1.00 18.93 ? ? ? ? ? ? 53 ALA J CB 1 +ATOM 18313 N N . ALA J 1 55 ? 50.167 80.052 83.072 1.00 20.61 ? ? ? ? ? ? 54 ALA J N 1 +ATOM 18314 C CA . ALA J 1 55 ? 51.223 79.898 84.105 1.00 21.35 ? ? ? ? ? ? 54 ALA J CA 1 +ATOM 18315 C C . ALA J 1 55 ? 52.096 78.679 83.781 1.00 20.88 ? ? ? ? ? ? 54 ALA J C 1 +ATOM 18316 O O . ALA J 1 55 ? 53.304 78.693 83.970 1.00 21.87 ? ? ? ? ? ? 54 ALA J O 1 +ATOM 18317 C CB . ALA J 1 55 ? 50.609 79.806 85.525 1.00 17.72 ? ? ? ? ? ? 54 ALA J CB 1 +ATOM 18318 N N . GLU J 1 56 ? 51.463 77.627 83.283 1.00 22.74 ? ? ? ? ? ? 55 GLU J N 1 +ATOM 18319 C CA . GLU J 1 56 ? 52.183 76.443 82.815 1.00 24.13 ? ? ? ? ? ? 55 GLU J CA 1 +ATOM 18320 C C . GLU J 1 56 ? 53.168 76.736 81.656 1.00 23.98 ? ? ? ? ? ? 55 GLU J C 1 +ATOM 18321 O O . GLU J 1 56 ? 54.302 76.191 81.645 1.00 23.84 ? ? ? ? ? ? 55 GLU J O 1 +ATOM 18322 C CB . GLU J 1 56 ? 51.190 75.355 82.422 1.00 22.25 ? ? ? ? ? ? 55 GLU J CB 1 +ATOM 18323 C CG . GLU J 1 56 ? 50.615 74.633 83.583 1.00 25.60 ? ? ? ? ? ? 55 GLU J CG 1 +ATOM 18324 C CD . GLU J 1 56 ? 49.502 73.653 83.221 1.00 27.30 ? ? ? ? ? ? 55 GLU J CD 1 +ATOM 18325 O OE1 . GLU J 1 56 ? 48.936 73.749 82.124 1.00 32.60 ? ? ? ? ? ? 55 GLU J OE1 1 +ATOM 18326 O OE2 . GLU J 1 56 ? 49.180 72.786 84.060 1.00 33.75 ? ? ? ? ? ? 55 GLU J OE2 1 +ATOM 18327 N N . LEU J 1 57 ? 52.747 77.603 80.723 1.00 23.84 ? ? ? ? ? ? 56 LEU J N 1 +ATOM 18328 C CA . LEU J 1 57 ? 53.586 78.057 79.606 1.00 23.18 ? ? ? ? ? ? 56 LEU J CA 1 +ATOM 18329 C C . LEU J 1 57 ? 54.690 78.950 80.073 1.00 24.80 ? ? ? ? ? ? 56 LEU J C 1 +ATOM 18330 O O . LEU J 1 57 ? 55.800 78.784 79.633 1.00 25.78 ? ? ? ? ? ? 56 LEU J O 1 +ATOM 18331 C CB . LEU J 1 57 ? 52.756 78.754 78.509 1.00 24.94 ? ? ? ? ? ? 56 LEU J CB 1 +ATOM 18332 C CG . LEU J 1 57 ? 53.449 79.312 77.254 1.00 24.31 ? ? ? ? ? ? 56 LEU J CG 1 +ATOM 18333 C CD1 . LEU J 1 57 ? 54.318 78.244 76.543 1.00 25.76 ? ? ? ? ? ? 56 LEU J CD1 1 +ATOM 18334 C CD2 . LEU J 1 57 ? 52.452 79.949 76.277 1.00 23.00 ? ? ? ? ? ? 56 LEU J CD2 1 +ATOM 18335 N N . ALA J 1 58 ? 54.405 79.915 80.953 1.00 25.02 ? ? ? ? ? ? 57 ALA J N 1 +ATOM 18336 C CA . ALA J 1 58 ? 55.463 80.802 81.469 1.00 24.29 ? ? ? ? ? ? 57 ALA J CA 1 +ATOM 18337 C C . ALA J 1 58 ? 56.534 80.019 82.241 1.00 24.84 ? ? ? ? ? ? 57 ALA J C 1 +ATOM 18338 O O . ALA J 1 58 ? 57.729 80.329 82.169 1.00 26.28 ? ? ? ? ? ? 57 ALA J O 1 +ATOM 18339 C CB . ALA J 1 58 ? 54.856 81.883 82.342 1.00 23.17 ? ? ? ? ? ? 57 ALA J CB 1 +ATOM 18340 N N . LEU J 1 59 ? 56.111 79.004 82.990 1.00 25.19 ? ? ? ? ? ? 58 LEU J N 1 +ATOM 18341 C CA . LEU J 1 59 ? 57.056 78.204 83.755 1.00 25.84 ? ? ? ? ? ? 58 LEU J CA 1 +ATOM 18342 C C . LEU J 1 59 ? 57.985 77.397 82.815 1.00 27.16 ? ? ? ? ? ? 58 LEU J C 1 +ATOM 18343 O O . LEU J 1 59 ? 59.207 77.500 82.931 1.00 27.05 ? ? ? ? ? ? 58 LEU J O 1 +ATOM 18344 C CB . LEU J 1 59 ? 56.327 77.292 84.753 1.00 26.80 ? ? ? ? ? ? 58 LEU J CB 1 +ATOM 18345 C CG . LEU J 1 59 ? 57.144 76.434 85.719 1.00 26.50 ? ? ? ? ? ? 58 LEU J CG 1 +ATOM 18346 C CD1 . LEU J 1 59 ? 58.057 77.273 86.588 1.00 23.57 ? ? ? ? ? ? 58 LEU J CD1 1 +ATOM 18347 C CD2 . LEU J 1 59 ? 56.226 75.581 86.567 1.00 25.48 ? ? ? ? ? ? 58 LEU J CD2 1 +ATOM 18348 N N . SER J 1 60 ? 57.414 76.645 81.878 1.00 27.83 ? ? ? ? ? ? 59 SER J N 1 +ATOM 18349 C CA . SER J 1 60 ? 58.213 75.799 80.989 1.00 31.21 ? ? ? ? ? ? 59 SER J CA 1 +ATOM 18350 C C . SER J 1 60 ? 59.103 76.631 80.066 1.00 32.17 ? ? ? ? ? ? 59 SER J C 1 +ATOM 18351 O O . SER J 1 60 ? 60.253 76.280 79.802 1.00 34.08 ? ? ? ? ? ? 59 SER J O 1 +ATOM 18352 C CB . SER J 1 60 ? 57.335 74.870 80.146 1.00 30.71 ? ? ? ? ? ? 59 SER J CB 1 +ATOM 18353 O OG . SER J 1 60 ? 56.593 75.622 79.207 1.00 39.33 ? ? ? ? ? ? 59 SER J OG 1 +ATOM 18354 N N . ARG J 1 61 ? 58.562 77.756 79.613 1.00 32.04 ? ? ? ? ? ? 60 ARG J N 1 +ATOM 18355 C CA . ARG J 1 61 ? 59.220 78.630 78.662 1.00 32.22 ? ? ? ? ? ? 60 ARG J CA 1 +ATOM 18356 C C . ARG J 1 61 ? 60.329 79.503 79.241 1.00 31.84 ? ? ? ? ? ? 60 ARG J C 1 +ATOM 18357 O O . ARG J 1 61 ? 61.383 79.651 78.616 1.00 33.28 ? ? ? ? ? ? 60 ARG J O 1 +ATOM 18358 C CB . ARG J 1 61 ? 58.146 79.515 78.023 1.00 31.91 ? ? ? ? ? ? 60 ARG J CB 1 +ATOM 18359 C CG . ARG J 1 61 ? 58.640 80.572 77.095 1.00 36.63 ? ? ? ? ? ? 60 ARG J CG 1 +ATOM 18360 C CD . ARG J 1 61 ? 57.531 81.035 76.189 1.00 37.69 ? ? ? ? ? ? 60 ARG J CD 1 +ATOM 18361 N NE . ARG J 1 61 ? 56.812 82.212 76.666 1.00 36.97 ? ? ? ? ? ? 60 ARG J NE 1 +ATOM 18362 C CZ . ARG J 1 61 ? 55.781 82.736 76.004 1.00 36.28 ? ? ? ? ? ? 60 ARG J CZ 1 +ATOM 18363 N NH1 . ARG J 1 61 ? 55.378 82.189 74.858 1.00 37.01 ? ? ? ? ? ? 60 ARG J NH1 1 +ATOM 18364 N NH2 . ARG J 1 61 ? 55.154 83.807 76.474 1.00 38.24 ? ? ? ? ? ? 60 ARG J NH2 1 +ATOM 18365 N N . SER J 1 62 ? 60.093 80.109 80.407 1.00 31.26 ? ? ? ? ? ? 61 SER J N 1 +ATOM 18366 C CA . SER J 1 62 ? 61.042 81.055 81.008 1.00 30.86 ? ? ? ? ? ? 61 SER J CA 1 +ATOM 18367 C C . SER J 1 62 ? 61.451 80.732 82.435 1.00 29.24 ? ? ? ? ? ? 61 SER J C 1 +ATOM 18368 O O . SER J 1 62 ? 62.175 81.501 83.026 1.00 28.78 ? ? ? ? ? ? 61 SER J O 1 +ATOM 18369 C CB . SER J 1 62 ? 60.425 82.450 81.053 1.00 33.69 ? ? ? ? ? ? 61 SER J CB 1 +ATOM 18370 O OG . SER J 1 62 ? 59.997 82.890 79.778 1.00 43.13 ? ? ? ? ? ? 61 SER J OG 1 +ATOM 18371 N N . GLY J 1 63 ? 60.946 79.652 83.026 1.00 28.50 ? ? ? ? ? ? 62 GLY J N 1 +ATOM 18372 C CA . GLY J 1 63 ? 61.157 79.423 84.472 1.00 28.50 ? ? ? ? ? ? 62 GLY J CA 1 +ATOM 18373 C C . GLY J 1 63 ? 60.479 80.436 85.410 1.00 28.25 ? ? ? ? ? ? 62 GLY J C 1 +ATOM 18374 O O . GLY J 1 63 ? 60.772 80.468 86.599 1.00 30.04 ? ? ? ? ? ? 62 GLY J O 1 +ATOM 18375 N N . VAL J 1 64 ? 59.580 81.266 84.884 1.00 27.61 ? ? ? ? ? ? 63 VAL J N 1 +ATOM 18376 C CA . VAL J 1 64 ? 58.805 82.178 85.713 1.00 26.08 ? ? ? ? ? ? 63 VAL J CA 1 +ATOM 18377 C C . VAL J 1 64 ? 57.629 81.380 86.323 1.00 25.03 ? ? ? ? ? ? 63 VAL J C 1 +ATOM 18378 O O . VAL J 1 64 ? 56.917 80.702 85.613 1.00 24.28 ? ? ? ? ? ? 63 VAL J O 1 +ATOM 18379 C CB . VAL J 1 64 ? 58.317 83.394 84.894 1.00 27.35 ? ? ? ? ? ? 63 VAL J CB 1 +ATOM 18380 C CG1 . VAL J 1 64 ? 57.334 84.221 85.714 1.00 22.40 ? ? ? ? ? ? 63 VAL J CG1 1 +ATOM 18381 C CG2 . VAL J 1 64 ? 59.527 84.251 84.414 1.00 23.68 ? ? ? ? ? ? 63 VAL J CG2 1 +ATOM 18382 N N . ARG J 1 65 ? 57.450 81.450 87.638 1.00 24.05 ? ? ? ? ? ? 64 ARG J N 1 +ATOM 18383 C CA . ARG J 1 65 ? 56.453 80.635 88.322 1.00 23.59 ? ? ? ? ? ? 64 ARG J CA 1 +ATOM 18384 C C . ARG J 1 65 ? 55.368 81.498 88.978 1.00 23.13 ? ? ? ? ? ? 64 ARG J C 1 +ATOM 18385 O O . ARG J 1 65 ? 55.660 82.270 89.924 1.00 22.88 ? ? ? ? ? ? 64 ARG J O 1 +ATOM 18386 C CB . ARG J 1 65 ? 57.104 79.733 89.401 1.00 22.96 ? ? ? ? ? ? 64 ARG J CB 1 +ATOM 18387 C CG . ARG J 1 65 ? 56.104 78.710 89.979 1.00 24.56 ? ? ? ? ? ? 64 ARG J CG 1 +ATOM 18388 C CD . ARG J 1 65 ? 56.658 77.889 91.122 1.00 27.23 ? ? ? ? ? ? 64 ARG J CD 1 +ATOM 18389 N NE . ARG J 1 65 ? 57.613 76.873 90.676 1.00 26.45 ? ? ? ? ? ? 64 ARG J NE 1 +ATOM 18390 C CZ . ARG J 1 65 ? 58.933 76.995 90.746 1.00 27.79 ? ? ? ? ? ? 64 ARG J CZ 1 +ATOM 18391 N NH1 . ARG J 1 65 ? 59.499 78.104 91.214 1.00 31.57 ? ? ? ? ? ? 64 ARG J NH1 1 +ATOM 18392 N NH2 . ARG J 1 65 ? 59.703 76.026 90.300 1.00 30.43 ? ? ? ? ? ? 64 ARG J NH2 1 +ATOM 18393 N N . CYS J 1 66 ? 54.123 81.285 88.528 1.00 22.51 ? ? ? ? ? ? 65 CYS J N 1 +ATOM 18394 C CA . CYS J 1 66 ? 52.940 81.998 88.998 1.00 23.44 ? ? ? ? ? ? 65 CYS J CA 1 +ATOM 18395 C C . CYS J 1 66 ? 51.967 81.061 89.690 1.00 22.98 ? ? ? ? ? ? 65 CYS J C 1 +ATOM 18396 O O . CYS J 1 66 ? 51.924 79.883 89.371 1.00 24.07 ? ? ? ? ? ? 65 CYS J O 1 +ATOM 18397 C CB . CYS J 1 66 ? 52.223 82.630 87.810 1.00 24.75 ? ? ? ? ? ? 65 CYS J CB 1 +ATOM 18398 S SG . CYS J 1 66 ? 53.338 83.642 86.858 1.00 24.22 ? ? ? ? ? ? 65 CYS J SG 1 +ATOM 18399 N N . MSE J 1 67 ? 51.233 81.597 90.671 1.00 21.12 ? ? ? ? ? ? 66 MSE J N 1 +ATOM 18400 C CA . MSE J 1 67 ? 50.201 80.853 91.408 1.00 19.08 ? ? ? ? ? ? 66 MSE J CA 1 +ATOM 18401 C C . MSE J 1 67 ? 48.845 81.412 91.044 1.00 18.72 ? ? ? ? ? ? 66 MSE J C 1 +ATOM 18402 O O . MSE J 1 67 ? 48.603 82.621 91.139 1.00 18.68 ? ? ? ? ? ? 66 MSE J O 1 +ATOM 18403 C CB . MSE J 1 67 ? 50.417 80.950 92.922 1.00 20.70 ? ? ? ? ? ? 66 MSE J CB 1 +ATOM 18404 C CG . MSE J 1 67 ? 49.350 80.230 93.742 1.00 19.96 ? ? ? ? ? ? 66 MSE J CG 1 +ATOM 18405 SE SE . MSE J 1 67 ? 49.263 78.373 93.297 0.75 17.07 ? ? ? ? ? ? 66 MSE J SE 1 +ATOM 18406 C CE . MSE J 1 67 ? 50.717 77.674 94.356 1.00 15.27 ? ? ? ? ? ? 66 MSE J CE 1 +ATOM 18407 N N . VAL J 1 68 ? 47.980 80.525 90.578 1.00 18.89 ? ? ? ? ? ? 67 VAL J N 1 +ATOM 18408 C CA . VAL J 1 68 ? 46.635 80.846 90.241 1.00 17.87 ? ? ? ? ? ? 67 VAL J CA 1 +ATOM 18409 C C . VAL J 1 68 ? 45.775 80.549 91.485 1.00 18.76 ? ? ? ? ? ? 67 VAL J C 1 +ATOM 18410 O O . VAL J 1 68 ? 45.584 79.387 91.885 1.00 18.45 ? ? ? ? ? ? 67 VAL J O 1 +ATOM 18411 C CB . VAL J 1 68 ? 46.124 80.038 89.000 1.00 20.15 ? ? ? ? ? ? 67 VAL J CB 1 +ATOM 18412 C CG1 . VAL J 1 68 ? 44.749 80.550 88.550 1.00 13.33 ? ? ? ? ? ? 67 VAL J CG1 1 +ATOM 18413 C CG2 . VAL J 1 68 ? 47.140 80.065 87.842 1.00 18.05 ? ? ? ? ? ? 67 VAL J CG2 1 +ATOM 18414 N N . MSE J 1 69 ? 45.263 81.629 92.079 1.00 18.36 ? ? ? ? ? ? 68 MSE J N 1 +ATOM 18415 C CA . MSE J 1 69 ? 44.484 81.571 93.311 1.00 18.31 ? ? ? ? ? ? 68 MSE J CA 1 +ATOM 18416 C C . MSE J 1 69 ? 43.074 81.054 93.003 1.00 19.01 ? ? ? ? ? ? 68 MSE J C 1 +ATOM 18417 O O . MSE J 1 69 ? 42.666 80.986 91.839 1.00 19.53 ? ? ? ? ? ? 68 MSE J O 1 +ATOM 18418 C CB . MSE J 1 69 ? 44.366 82.980 93.918 1.00 17.62 ? ? ? ? ? ? 68 MSE J CB 1 +ATOM 18419 C CG . MSE J 1 69 ? 45.637 83.617 94.338 1.00 20.23 ? ? ? ? ? ? 68 MSE J CG 1 +ATOM 18420 SE SE . MSE J 1 69 ? 46.461 82.657 95.777 0.75 27.19 ? ? ? ? ? ? 68 MSE J SE 1 +ATOM 18421 C CE . MSE J 1 69 ? 44.987 83.126 97.196 1.00 18.51 ? ? ? ? ? ? 68 MSE J CE 1 +ATOM 18422 N N . PRO J 1 70 ? 42.323 80.651 94.039 1.00 19.82 ? ? ? ? ? ? 69 PRO J N 1 +ATOM 18423 C CA . PRO J 1 70 ? 40.990 80.160 93.738 1.00 21.51 ? ? ? ? ? ? 69 PRO J CA 1 +ATOM 18424 C C . PRO J 1 70 ? 40.123 81.298 93.181 1.00 21.86 ? ? ? ? ? ? 69 PRO J C 1 +ATOM 18425 O O . PRO J 1 70 ? 40.282 82.457 93.576 1.00 20.19 ? ? ? ? ? ? 69 PRO J O 1 +ATOM 18426 C CB . PRO J 1 70 ? 40.483 79.666 95.101 1.00 21.40 ? ? ? ? ? ? 69 PRO J CB 1 +ATOM 18427 C CG . PRO J 1 70 ? 41.731 79.472 95.929 1.00 19.42 ? ? ? ? ? ? 69 PRO J CG 1 +ATOM 18428 C CD . PRO J 1 70 ? 42.620 80.558 95.480 1.00 21.87 ? ? ? ? ? ? 69 PRO J CD 1 +ATOM 18429 N N . PRO J 1 71 ? 39.228 80.979 92.244 1.00 22.50 ? ? ? ? ? ? 70 PRO J N 1 +ATOM 18430 C CA . PRO J 1 71 ? 38.435 82.080 91.651 1.00 21.97 ? ? ? ? ? ? 70 PRO J CA 1 +ATOM 18431 C C . PRO J 1 71 ? 37.470 82.731 92.639 1.00 21.45 ? ? ? ? ? ? 70 PRO J C 1 +ATOM 18432 O O . PRO J 1 71 ? 36.921 82.042 93.479 1.00 22.26 ? ? ? ? ? ? 70 PRO J O 1 +ATOM 18433 C CB . PRO J 1 71 ? 37.659 81.373 90.554 1.00 22.59 ? ? ? ? ? ? 70 PRO J CB 1 +ATOM 18434 C CG . PRO J 1 71 ? 38.429 80.125 90.292 1.00 23.67 ? ? ? ? ? ? 70 PRO J CG 1 +ATOM 18435 C CD . PRO J 1 71 ? 38.877 79.692 91.631 1.00 21.98 ? ? ? ? ? ? 70 PRO J CD 1 +ATOM 18436 N N . VAL J 1 72 ? 37.260 84.041 92.516 1.00 20.73 ? ? ? ? ? ? 71 VAL J N 1 +ATOM 18437 C CA . VAL J 1 72 ? 36.308 84.748 93.352 1.00 18.13 ? ? ? ? ? ? 71 VAL J CA 1 +ATOM 18438 C C . VAL J 1 72 ? 34.964 84.696 92.645 1.00 17.38 ? ? ? ? ? ? 71 VAL J C 1 +ATOM 18439 O O . VAL J 1 72 ? 34.831 85.226 91.533 1.00 17.81 ? ? ? ? ? ? 71 VAL J O 1 +ATOM 18440 C CB . VAL J 1 72 ? 36.700 86.197 93.586 1.00 18.38 ? ? ? ? ? ? 71 VAL J CB 1 +ATOM 18441 C CG1 . VAL J 1 72 ? 35.733 86.850 94.638 1.00 13.32 ? ? ? ? ? ? 71 VAL J CG1 1 +ATOM 18442 C CG2 . VAL J 1 72 ? 38.168 86.302 93.998 1.00 14.43 ? ? ? ? ? ? 71 VAL J CG2 1 +ATOM 18443 N N . PRO J 1 73 ? 33.961 84.041 93.253 1.00 16.83 ? ? ? ? ? ? 72 PRO J N 1 +ATOM 18444 C CA . PRO J 1 73 ? 32.688 83.888 92.528 1.00 17.67 ? ? ? ? ? ? 72 PRO J CA 1 +ATOM 18445 C C . PRO J 1 73 ? 31.654 85.025 92.700 1.00 17.97 ? ? ? ? ? ? 72 PRO J C 1 +ATOM 18446 O O . PRO J 1 73 ? 30.468 84.771 92.517 1.00 21.90 ? ? ? ? ? ? 72 PRO J O 1 +ATOM 18447 C CB . PRO J 1 73 ? 32.134 82.589 93.127 1.00 18.57 ? ? ? ? ? ? 72 PRO J CB 1 +ATOM 18448 C CG . PRO J 1 73 ? 32.576 82.653 94.568 1.00 19.34 ? ? ? ? ? ? 72 PRO J CG 1 +ATOM 18449 C CD . PRO J 1 73 ? 33.927 83.362 94.564 1.00 16.30 ? ? ? ? ? ? 72 PRO J CD 1 +ATOM 18450 N N . PHE J 1 74 ? 32.102 86.243 92.997 1.00 17.44 ? ? ? ? ? ? 73 PHE J N 1 +ATOM 18451 C CA . PHE J 1 74 ? 31.250 87.370 93.397 1.00 17.08 ? ? ? ? ? ? 73 PHE J CA 1 +ATOM 18452 C C . PHE J 1 74 ? 31.339 88.533 92.427 1.00 17.26 ? ? ? ? ? ? 73 PHE J C 1 +ATOM 18453 O O . PHE J 1 74 ? 32.212 89.357 92.526 1.00 17.78 ? ? ? ? ? ? 73 PHE J O 1 +ATOM 18454 C CB . PHE J 1 74 ? 31.639 87.844 94.813 1.00 18.32 ? ? ? ? ? ? 73 PHE J CB 1 +ATOM 18455 C CG . PHE J 1 74 ? 31.381 86.814 95.870 1.00 21.52 ? ? ? ? ? ? 73 PHE J CG 1 +ATOM 18456 C CD1 . PHE J 1 74 ? 30.085 86.439 96.179 1.00 22.16 ? ? ? ? ? ? 73 PHE J CD1 1 +ATOM 18457 C CD2 . PHE J 1 74 ? 32.428 86.184 96.515 1.00 20.08 ? ? ? ? ? ? 73 PHE J CD2 1 +ATOM 18458 C CE1 . PHE J 1 74 ? 29.845 85.450 97.130 1.00 23.99 ? ? ? ? ? ? 73 PHE J CE1 1 +ATOM 18459 C CE2 . PHE J 1 74 ? 32.189 85.214 97.469 1.00 19.99 ? ? ? ? ? ? 73 PHE J CE2 1 +ATOM 18460 C CZ . PHE J 1 74 ? 30.906 84.839 97.762 1.00 16.51 ? ? ? ? ? ? 73 PHE J CZ 1 +ATOM 18461 N N . GLY J 1 75 ? 30.418 88.572 91.479 1.00 18.16 ? ? ? ? ? ? 74 GLY J N 1 +ATOM 18462 C CA . GLY J 1 75 ? 30.401 89.606 90.451 1.00 17.54 ? ? ? ? ? ? 74 GLY J CA 1 +ATOM 18463 C C . GLY J 1 75 ? 29.360 90.667 90.720 1.00 17.07 ? ? ? ? ? ? 74 GLY J C 1 +ATOM 18464 O O . GLY J 1 75 ? 28.472 90.477 91.539 1.00 16.99 ? ? ? ? ? ? 74 GLY J O 1 +ATOM 18465 N N . ALA J 1 76 ? 29.519 91.789 90.035 1.00 16.89 ? ? ? ? ? ? 75 ALA J N 1 +ATOM 18466 C CA . ALA J 1 76 ? 28.591 92.911 90.009 1.00 16.78 ? ? ? ? ? ? 75 ALA J CA 1 +ATOM 18467 C C . ALA J 1 76 ? 27.660 92.709 88.842 1.00 18.55 ? ? ? ? ? ? 75 ALA J C 1 +ATOM 18468 O O . ALA J 1 76 ? 28.139 92.596 87.696 1.00 20.07 ? ? ? ? ? ? 75 ALA J O 1 +ATOM 18469 C CB . ALA J 1 76 ? 29.369 94.161 89.768 1.00 16.73 ? ? ? ? ? ? 75 ALA J CB 1 +ATOM 18470 N N . HIS J 1 77 ? 26.351 92.691 89.107 1.00 19.36 ? ? ? ? ? ? 76 HIS J N 1 +ATOM 18471 C CA . HIS J 1 77 ? 25.357 92.394 88.109 1.00 19.55 ? ? ? ? ? ? 76 HIS J CA 1 +ATOM 18472 C C . HIS J 1 77 ? 24.386 93.573 87.835 1.00 20.75 ? ? ? ? ? ? 76 HIS J C 1 +ATOM 18473 O O . HIS J 1 77 ? 24.505 94.632 88.447 1.00 19.65 ? ? ? ? ? ? 76 HIS J O 1 +ATOM 18474 C CB . HIS J 1 77 ? 24.665 91.077 88.500 1.00 21.16 ? ? ? ? ? ? 76 HIS J CB 1 +ATOM 18475 C CG . HIS J 1 77 ? 25.608 89.917 88.475 1.00 20.61 ? ? ? ? ? ? 76 HIS J CG 1 +ATOM 18476 N ND1 . HIS J 1 77 ? 26.062 89.361 87.297 1.00 23.81 ? ? ? ? ? ? 76 HIS J ND1 1 +ATOM 18477 C CD2 . HIS J 1 77 ? 26.262 89.277 89.470 1.00 21.24 ? ? ? ? ? ? 76 HIS J CD2 1 +ATOM 18478 C CE1 . HIS J 1 77 ? 26.943 88.413 87.572 1.00 25.81 ? ? ? ? ? ? 76 HIS J CE1 1 +ATOM 18479 N NE2 . HIS J 1 77 ? 27.094 88.353 88.882 1.00 19.36 ? ? ? ? ? ? 76 HIS J NE2 1 +ATOM 18480 N N . ASN J 1 78 ? 23.476 93.367 86.878 1.00 20.26 ? ? ? ? ? ? 77 ASN J N 1 +ATOM 18481 C CA . ASN J 1 78 ? 22.631 94.406 86.305 1.00 20.96 ? ? ? ? ? ? 77 ASN J CA 1 +ATOM 18482 C C . ASN J 1 78 ? 21.190 94.296 86.786 1.00 21.85 ? ? ? ? ? ? 77 ASN J C 1 +ATOM 18483 O O . ASN J 1 78 ? 20.774 93.218 87.239 1.00 22.46 ? ? ? ? ? ? 77 ASN J O 1 +ATOM 18484 C CB . ASN J 1 78 ? 22.583 94.280 84.775 1.00 20.59 ? ? ? ? ? ? 77 ASN J CB 1 +ATOM 18485 C CG . ASN J 1 78 ? 23.800 94.840 84.070 1.00 23.27 ? ? ? ? ? ? 77 ASN J CG 1 +ATOM 18486 O OD1 . ASN J 1 78 ? 24.917 94.647 84.512 1.00 25.09 ? ? ? ? ? ? 77 ASN J OD1 1 +ATOM 18487 N ND2 . ASN J 1 78 ? 23.578 95.509 82.913 1.00 21.31 ? ? ? ? ? ? 77 ASN J ND2 1 +ATOM 18488 N N . PRO J 1 79 ? 20.388 95.367 86.587 1.00 23.13 ? ? ? ? ? ? 78 PRO J N 1 +ATOM 18489 C CA . PRO J 1 79 ? 18.966 95.254 86.871 1.00 23.39 ? ? ? ? ? ? 78 PRO J CA 1 +ATOM 18490 C C . PRO J 1 79 ? 18.359 94.082 86.107 1.00 22.89 ? ? ? ? ? ? 78 PRO J C 1 +ATOM 18491 O O . PRO J 1 79 ? 18.792 93.778 84.986 1.00 23.07 ? ? ? ? ? ? 78 PRO J O 1 +ATOM 18492 C CB . PRO J 1 79 ? 18.391 96.621 86.404 1.00 23.94 ? ? ? ? ? ? 78 PRO J CB 1 +ATOM 18493 C CG . PRO J 1 79 ? 19.529 97.533 86.375 1.00 24.42 ? ? ? ? ? ? 78 PRO J CG 1 +ATOM 18494 C CD . PRO J 1 79 ? 20.719 96.706 86.047 1.00 24.08 ? ? ? ? ? ? 78 PRO J CD 1 +ATOM 18495 N N . GLY J 1 80 ? 17.447 93.378 86.761 1.00 22.39 ? ? ? ? ? ? 79 GLY J N 1 +ATOM 18496 C CA . GLY J 1 80 ? 16.845 92.163 86.210 1.00 23.52 ? ? ? ? ? ? 79 GLY J CA 1 +ATOM 18497 C C . GLY J 1 80 ? 17.559 90.849 86.451 1.00 23.57 ? ? ? ? ? ? 79 GLY J C 1 +ATOM 18498 O O . GLY J 1 80 ? 16.939 89.805 86.332 1.00 25.96 ? ? ? ? ? ? 79 GLY J O 1 +ATOM 18499 N N . GLN J 1 81 ? 18.862 90.873 86.715 1.00 23.22 ? ? ? ? ? ? 80 GLN J N 1 +ATOM 18500 C CA . GLN J 1 81 ? 19.634 89.643 86.881 1.00 23.45 ? ? ? ? ? ? 80 GLN J CA 1 +ATOM 18501 C C . GLN J 1 81 ? 19.460 89.069 88.292 1.00 24.71 ? ? ? ? ? ? 80 GLN J C 1 +ATOM 18502 O O . GLN J 1 81 ? 19.385 87.855 88.472 1.00 24.85 ? ? ? ? ? ? 80 GLN J O 1 +ATOM 18503 C CB . GLN J 1 81 ? 21.129 89.873 86.612 1.00 25.02 ? ? ? ? ? ? 80 GLN J CB 1 +ATOM 18504 C CG . GLN J 1 81 ? 21.525 90.160 85.170 1.00 21.97 ? ? ? ? ? ? 80 GLN J CG 1 +ATOM 18505 C CD . GLN J 1 81 ? 23.008 89.962 84.947 1.00 24.64 ? ? ? ? ? ? 80 GLN J CD 1 +ATOM 18506 O OE1 . GLN J 1 81 ? 23.840 90.829 85.278 1.00 28.70 ? ? ? ? ? ? 80 GLN J OE1 1 +ATOM 18507 N NE2 . GLN J 1 81 ? 23.363 88.807 84.416 1.00 21.87 ? ? ? ? ? ? 80 GLN J NE2 1 +ATOM 18508 N N . ARG J 1 82 ? 19.392 89.955 89.285 1.00 24.34 ? ? ? ? ? ? 81 ARG J N 1 +ATOM 18509 C CA . ARG J 1 82 ? 19.307 89.586 90.694 1.00 26.51 ? ? ? ? ? ? 81 ARG J CA 1 +ATOM 18510 C C . ARG J 1 82 ? 18.055 88.761 91.005 1.00 26.26 ? ? ? ? ? ? 81 ARG J C 1 +ATOM 18511 O O . ARG J 1 82 ? 18.069 87.953 91.919 1.00 27.10 ? ? ? ? ? ? 81 ARG J O 1 +ATOM 18512 C CB . ARG J 1 82 ? 19.340 90.863 91.549 1.00 27.29 ? ? ? ? ? ? 81 ARG J CB 1 +ATOM 18513 C CG . ARG J 1 82 ? 19.544 90.667 93.025 1.00 30.66 ? ? ? ? ? ? 81 ARG J CG 1 +ATOM 18514 C CD . ARG J 1 82 ? 19.691 92.014 93.740 1.00 29.12 ? ? ? ? ? ? 81 ARG J CD 1 +ATOM 18515 N NE . ARG J 1 82 ? 18.458 92.812 93.705 1.00 34.06 ? ? ? ? ? ? 81 ARG J NE 1 +ATOM 18516 C CZ . ARG J 1 82 ? 18.145 93.756 94.603 1.00 37.57 ? ? ? ? ? ? 81 ARG J CZ 1 +ATOM 18517 N NH1 . ARG J 1 82 ? 18.956 94.026 95.624 1.00 31.88 ? ? ? ? ? ? 81 ARG J NH1 1 +ATOM 18518 N NH2 . ARG J 1 82 ? 17.005 94.431 94.493 1.00 37.95 ? ? ? ? ? ? 81 ARG J NH2 1 +ATOM 18519 N N . GLU J 1 83 ? 16.995 88.946 90.226 1.00 26.71 ? ? ? ? ? ? 82 GLU J N 1 +ATOM 18520 C CA . GLU J 1 83 ? 15.786 88.163 90.389 1.00 29.66 ? ? ? ? ? ? 82 GLU J CA 1 +ATOM 18521 C C . GLU J 1 83 ? 15.870 86.743 89.790 1.00 26.68 ? ? ? ? ? ? 82 GLU J C 1 +ATOM 18522 O O . GLU J 1 83 ? 15.045 85.892 90.106 1.00 26.08 ? ? ? ? ? ? 82 GLU J O 1 +ATOM 18523 C CB . GLU J 1 83 ? 14.563 88.929 89.836 1.00 31.80 ? ? ? ? ? ? 82 GLU J CB 1 +ATOM 18524 C CG . GLU J 1 83 ? 14.440 88.962 88.293 1.00 37.92 ? ? ? ? ? ? 82 GLU J CG 1 +ATOM 18525 C CD . GLU J 1 83 ? 13.352 89.922 87.758 1.00 37.93 ? ? ? ? ? ? 82 GLU J CD 1 +ATOM 18526 O OE1 . GLU J 1 83 ? 13.061 90.941 88.410 1.00 55.09 ? ? ? ? ? ? 82 GLU J OE1 1 +ATOM 18527 O OE2 . GLU J 1 83 ? 12.809 89.667 86.666 1.00 49.08 ? ? ? ? ? ? 82 GLU J OE2 1 +ATOM 18528 N N . LEU J 1 84 ? 16.861 86.483 88.947 1.00 25.21 ? ? ? ? ? ? 83 LEU J N 1 +ATOM 18529 C CA . LEU J 1 84 ? 17.067 85.150 88.375 1.00 24.19 ? ? ? ? ? ? 83 LEU J CA 1 +ATOM 18530 C C . LEU J 1 84 ? 17.638 84.205 89.465 1.00 23.82 ? ? ? ? ? ? 83 LEU J C 1 +ATOM 18531 O O . LEU J 1 84 ? 18.551 84.601 90.233 1.00 21.42 ? ? ? ? ? ? 83 LEU J O 1 +ATOM 18532 C CB . LEU J 1 84 ? 17.994 85.227 87.161 1.00 25.03 ? ? ? ? ? ? 83 LEU J CB 1 +ATOM 18533 C CG . LEU J 1 84 ? 17.564 86.049 85.935 1.00 26.61 ? ? ? ? ? ? 83 LEU J CG 1 +ATOM 18534 C CD1 . LEU J 1 84 ? 18.701 86.227 84.932 1.00 22.03 ? ? ? ? ? ? 83 LEU J CD1 1 +ATOM 18535 C CD2 . LEU J 1 84 ? 16.362 85.405 85.253 1.00 26.32 ? ? ? ? ? ? 83 LEU J CD2 1 +ATOM 18536 N N . PRO J 1 85 ? 17.088 82.971 89.568 1.00 23.25 ? ? ? ? ? ? 84 PRO J N 1 +ATOM 18537 C CA . PRO J 1 85 ? 17.500 82.057 90.634 1.00 22.71 ? ? ? ? ? ? 84 PRO J CA 1 +ATOM 18538 C C . PRO J 1 85 ? 19.015 81.838 90.695 1.00 21.65 ? ? ? ? ? ? 84 PRO J C 1 +ATOM 18539 O O . PRO J 1 85 ? 19.657 81.587 89.663 1.00 21.23 ? ? ? ? ? ? 84 PRO J O 1 +ATOM 18540 C CB . PRO J 1 85 ? 16.766 80.746 90.290 1.00 24.22 ? ? ? ? ? ? 84 PRO J CB 1 +ATOM 18541 C CG . PRO J 1 85 ? 16.369 80.878 88.859 1.00 26.30 ? ? ? ? ? ? 84 PRO J CG 1 +ATOM 18542 C CD . PRO J 1 85 ? 16.076 82.339 88.702 1.00 26.32 ? ? ? ? ? ? 84 PRO J CD 1 +ATOM 18543 N N . PHE J 1 86 ? 19.560 81.988 91.902 1.00 20.96 ? ? ? ? ? ? 85 PHE J N 1 +ATOM 18544 C CA . PHE J 1 86 ? 20.963 81.734 92.211 1.00 20.59 ? ? ? ? ? ? 85 PHE J CA 1 +ATOM 18545 C C . PHE J 1 86 ? 21.969 82.735 91.664 1.00 20.31 ? ? ? ? ? ? 85 PHE J C 1 +ATOM 18546 O O . PHE J 1 86 ? 23.145 82.536 91.795 1.00 22.22 ? ? ? ? ? ? 85 PHE J O 1 +ATOM 18547 C CB . PHE J 1 86 ? 21.328 80.302 91.847 1.00 18.63 ? ? ? ? ? ? 85 PHE J CB 1 +ATOM 18548 C CG . PHE J 1 86 ? 20.258 79.292 92.283 1.00 23.17 ? ? ? ? ? ? 85 PHE J CG 1 +ATOM 18549 C CD1 . PHE J 1 86 ? 19.843 79.241 93.600 1.00 23.36 ? ? ? ? ? ? 85 PHE J CD1 1 +ATOM 18550 C CD2 . PHE J 1 86 ? 19.665 78.424 91.366 1.00 21.81 ? ? ? ? ? ? 85 PHE J CD2 1 +ATOM 18551 C CE1 . PHE J 1 86 ? 18.869 78.356 93.996 1.00 20.38 ? ? ? ? ? ? 85 PHE J CE1 1 +ATOM 18552 C CE2 . PHE J 1 86 ? 18.673 77.546 91.755 1.00 22.64 ? ? ? ? ? ? 85 PHE J CE2 1 +ATOM 18553 C CZ . PHE J 1 86 ? 18.282 77.521 93.081 1.00 24.05 ? ? ? ? ? ? 85 PHE J CZ 1 +ATOM 18554 N N . CYS J 1 87 ? 21.510 83.828 91.088 1.00 20.82 ? ? ? ? ? ? 86 CYS J N 1 +ATOM 18555 C CA . CYS J 1 87 ? 22.393 84.900 90.667 1.00 21.21 ? ? ? ? ? ? 86 CYS J CA 1 +ATOM 18556 C C . CYS J 1 87 ? 22.706 85.749 91.899 1.00 21.19 ? ? ? ? ? ? 86 CYS J C 1 +ATOM 18557 O O . CYS J 1 87 ? 21.793 86.181 92.603 1.00 22.89 ? ? ? ? ? ? 86 CYS J O 1 +ATOM 18558 C CB . CYS J 1 87 ? 21.716 85.759 89.598 1.00 22.39 ? ? ? ? ? ? 86 CYS J CB 1 +ATOM 18559 S SG . CYS J 1 87 ? 22.811 87.088 88.956 1.00 20.64 ? ? ? ? ? ? 86 CYS J SG 1 +ATOM 18560 N N . ILE J 1 88 ? 23.984 85.949 92.178 1.00 19.20 ? ? ? ? ? ? 87 ILE J N 1 +ATOM 18561 C CA . ILE J 1 88 ? 24.397 86.716 93.327 1.00 19.60 ? ? ? ? ? ? 87 ILE J CA 1 +ATOM 18562 C C . ILE J 1 88 ? 24.995 88.038 92.915 1.00 18.76 ? ? ? ? ? ? 87 ILE J C 1 +ATOM 18563 O O . ILE J 1 88 ? 26.127 88.064 92.444 1.00 19.21 ? ? ? ? ? ? 87 ILE J O 1 +ATOM 18564 C CB . ILE J 1 88 ? 25.420 85.943 94.233 1.00 18.96 ? ? ? ? ? ? 87 ILE J CB 1 +ATOM 18565 C CG1 . ILE J 1 88 ? 24.857 84.563 94.625 1.00 20.80 ? ? ? ? ? ? 87 ILE J CG1 1 +ATOM 18566 C CG2 . ILE J 1 88 ? 25.773 86.774 95.479 1.00 15.98 ? ? ? ? ? ? 87 ILE J CG2 1 +ATOM 18567 C CD1 . ILE J 1 88 ? 23.496 84.577 95.394 1.00 18.04 ? ? ? ? ? ? 87 ILE J CD1 1 +ATOM 18568 N N . HIS J 1 89 ? 24.280 89.141 93.164 1.00 18.34 ? ? ? ? ? ? 88 HIS J N 1 +ATOM 18569 C CA . HIS J 1 89 ? 24.864 90.488 92.969 1.00 18.42 ? ? ? ? ? ? 88 HIS J CA 1 +ATOM 18570 C C . HIS J 1 89 ? 25.798 90.863 94.122 1.00 17.16 ? ? ? ? ? ? 88 HIS J C 1 +ATOM 18571 O O . HIS J 1 89 ? 25.437 90.746 95.296 1.00 17.60 ? ? ? ? ? ? 88 HIS J O 1 +ATOM 18572 C CB . HIS J 1 89 ? 23.794 91.568 92.832 1.00 18.34 ? ? ? ? ? ? 88 HIS J CB 1 +ATOM 18573 C CG . HIS J 1 89 ? 24.361 92.952 92.787 1.00 19.17 ? ? ? ? ? ? 88 HIS J CG 1 +ATOM 18574 N ND1 . HIS J 1 89 ? 25.162 93.389 91.754 1.00 17.34 ? ? ? ? ? ? 88 HIS J ND1 1 +ATOM 18575 C CD2 . HIS J 1 89 ? 24.258 93.990 93.649 1.00 19.62 ? ? ? ? ? ? 88 HIS J CD2 1 +ATOM 18576 C CE1 . HIS J 1 89 ? 25.546 94.632 91.989 1.00 21.51 ? ? ? ? ? ? 88 HIS J CE1 1 +ATOM 18577 N NE2 . HIS J 1 89 ? 25.005 95.023 93.131 1.00 20.86 ? ? ? ? ? ? 88 HIS J NE2 1 +ATOM 18578 N N . THR J 1 90 ? 26.983 91.339 93.778 1.00 17.55 ? ? ? ? ? ? 89 THR J N 1 +ATOM 18579 C CA . THR J 1 90 ? 27.965 91.781 94.761 1.00 17.19 ? ? ? ? ? ? 89 THR J CA 1 +ATOM 18580 C C . THR J 1 90 ? 28.141 93.306 94.662 1.00 16.60 ? ? ? ? ? ? 89 THR J C 1 +ATOM 18581 O O . THR J 1 90 ? 28.471 93.823 93.592 1.00 16.93 ? ? ? ? ? ? 89 THR J O 1 +ATOM 18582 C CB . THR J 1 90 ? 29.304 91.074 94.485 1.00 18.09 ? ? ? ? ? ? 89 THR J CB 1 +ATOM 18583 O OG1 . THR J 1 90 ? 29.069 89.658 94.340 1.00 17.18 ? ? ? ? ? ? 89 THR J OG1 1 +ATOM 18584 C CG2 . THR J 1 90 ? 30.296 91.314 95.609 1.00 16.35 ? ? ? ? ? ? 89 THR J CG2 1 +ATOM 18585 N N . ARG J 1 91 ? 27.967 94.011 95.777 1.00 14.38 ? ? ? ? ? ? 90 ARG J N 1 +ATOM 18586 C CA . ARG J 1 91 ? 28.222 95.442 95.819 1.00 15.96 ? ? ? ? ? ? 90 ARG J CA 1 +ATOM 18587 C C . ARG J 1 91 ? 29.703 95.718 95.594 1.00 16.67 ? ? ? ? ? ? 90 ARG J C 1 +ATOM 18588 O O . ARG J 1 91 ? 30.526 94.901 95.933 1.00 16.00 ? ? ? ? ? ? 90 ARG J O 1 +ATOM 18589 C CB . ARG J 1 91 ? 27.790 96.053 97.159 1.00 14.76 ? ? ? ? ? ? 90 ARG J CB 1 +ATOM 18590 C CG . ARG J 1 91 ? 26.290 96.106 97.375 1.00 17.98 ? ? ? ? ? ? 90 ARG J CG 1 +ATOM 18591 C CD . ARG J 1 91 ? 25.989 96.545 98.803 1.00 18.67 ? ? ? ? ? ? 90 ARG J CD 1 +ATOM 18592 N NE . ARG J 1 91 ? 26.236 95.437 99.706 1.00 24.93 ? ? ? ? ? ? 90 ARG J NE 1 +ATOM 18593 C CZ . ARG J 1 91 ? 26.282 95.507 101.031 1.00 27.07 ? ? ? ? ? ? 90 ARG J CZ 1 +ATOM 18594 N NH1 . ARG J 1 91 ? 26.109 96.669 101.657 1.00 27.58 ? ? ? ? ? ? 90 ARG J NH1 1 +ATOM 18595 N NH2 . ARG J 1 91 ? 26.503 94.392 101.730 1.00 24.50 ? ? ? ? ? ? 90 ARG J NH2 1 +ATOM 18596 N N . TYR J 1 92 ? 30.025 96.874 95.012 1.00 17.68 ? ? ? ? ? ? 91 TYR J N 1 +ATOM 18597 C CA . TYR J 1 92 ? 31.422 97.273 94.768 1.00 17.21 ? ? ? ? ? ? 91 TYR J CA 1 +ATOM 18598 C C . TYR J 1 92 ? 32.213 97.285 96.075 1.00 15.58 ? ? ? ? ? ? 91 TYR J C 1 +ATOM 18599 O O . TYR J 1 92 ? 33.351 96.825 96.100 1.00 16.91 ? ? ? ? ? ? 91 TYR J O 1 +ATOM 18600 C CB . TYR J 1 92 ? 31.480 98.679 94.119 1.00 20.09 ? ? ? ? ? ? 91 TYR J CB 1 +ATOM 18601 C CG . TYR J 1 92 ? 32.857 99.109 93.625 1.00 20.70 ? ? ? ? ? ? 91 TYR J CG 1 +ATOM 18602 C CD1 . TYR J 1 92 ? 33.829 99.592 94.500 1.00 21.25 ? ? ? ? ? ? 91 TYR J CD1 1 +ATOM 18603 C CD2 . TYR J 1 92 ? 33.165 99.049 92.281 1.00 24.87 ? ? ? ? ? ? 91 TYR J CD2 1 +ATOM 18604 C CE1 . TYR J 1 92 ? 35.069 100.005 94.046 1.00 21.41 ? ? ? ? ? ? 91 TYR J CE1 1 +ATOM 18605 C CE2 . TYR J 1 92 ? 34.390 99.446 91.809 1.00 25.38 ? ? ? ? ? ? 91 TYR J CE2 1 +ATOM 18606 C CZ . TYR J 1 92 ? 35.348 99.922 92.703 1.00 26.11 ? ? ? ? ? ? 91 TYR J CZ 1 +ATOM 18607 O OH . TYR J 1 92 ? 36.566 100.302 92.206 1.00 32.41 ? ? ? ? ? ? 91 TYR J OH 1 +ATOM 18608 N N . ALA J 1 93 ? 31.589 97.794 97.146 1.00 16.43 ? ? ? ? ? ? 92 ALA J N 1 +ATOM 18609 C CA . ALA J 1 93 ? 32.194 97.856 98.489 1.00 16.09 ? ? ? ? ? ? 92 ALA J CA 1 +ATOM 18610 C C . ALA J 1 93 ? 32.531 96.462 99.006 1.00 15.62 ? ? ? ? ? ? 92 ALA J C 1 +ATOM 18611 O O . ALA J 1 93 ? 33.577 96.281 99.607 1.00 15.10 ? ? ? ? ? ? 92 ALA J O 1 +ATOM 18612 C CB . ALA J 1 93 ? 31.290 98.657 99.538 1.00 15.58 ? ? ? ? ? ? 92 ALA J CB 1 +ATOM 18613 N N . THR J 1 94 ? 31.676 95.484 98.697 1.00 15.55 ? ? ? ? ? ? 93 THR J N 1 +ATOM 18614 C CA . THR J 1 94 ? 31.917 94.088 99.091 1.00 14.60 ? ? ? ? ? ? 93 THR J CA 1 +ATOM 18615 C C . THR J 1 94 ? 33.113 93.522 98.347 1.00 15.66 ? ? ? ? ? ? 93 THR J C 1 +ATOM 18616 O O . THR J 1 94 ? 33.974 92.905 98.949 1.00 15.96 ? ? ? ? ? ? 93 THR J O 1 +ATOM 18617 C CB . THR J 1 94 ? 30.668 93.208 98.855 1.00 14.44 ? ? ? ? ? ? 93 THR J CB 1 +ATOM 18618 O OG1 . THR J 1 94 ? 29.551 93.753 99.581 1.00 13.20 ? ? ? ? ? ? 93 THR J OG1 1 +ATOM 18619 C CG2 . THR J 1 94 ? 30.924 91.710 99.265 1.00 9.19 ? ? ? ? ? ? 93 THR J CG2 1 +ATOM 18620 N N . GLN J 1 95 ? 33.178 93.753 97.042 1.00 16.76 ? ? ? ? ? ? 94 GLN J N 1 +ATOM 18621 C CA . GLN J 1 95 ? 34.343 93.341 96.238 1.00 15.74 ? ? ? ? ? ? 94 GLN J CA 1 +ATOM 18622 C C . GLN J 1 95 ? 35.599 94.037 96.675 1.00 15.76 ? ? ? ? ? ? 94 GLN J C 1 +ATOM 18623 O O . GLN J 1 95 ? 36.673 93.435 96.689 1.00 15.60 ? ? ? ? ? ? 94 GLN J O 1 +ATOM 18624 C CB . GLN J 1 95 ? 34.132 93.608 94.745 1.00 16.29 ? ? ? ? ? ? 94 GLN J CB 1 +ATOM 18625 C CG . GLN J 1 95 ? 32.904 92.924 94.121 1.00 16.06 ? ? ? ? ? ? 94 GLN J CG 1 +ATOM 18626 C CD . GLN J 1 95 ? 32.732 93.255 92.657 1.00 15.86 ? ? ? ? ? ? 94 GLN J CD 1 +ATOM 18627 O OE1 . GLN J 1 95 ? 32.752 94.429 92.259 1.00 21.41 ? ? ? ? ? ? 94 GLN J OE1 1 +ATOM 18628 N NE2 . GLN J 1 95 ? 32.591 92.224 91.835 1.00 16.22 ? ? ? ? ? ? 94 GLN J NE2 1 +ATOM 18629 N N . GLN J 1 96 ? 35.497 95.326 97.003 1.00 16.50 ? ? ? ? ? ? 95 GLN J N 1 +ATOM 18630 C CA . GLN J 1 96 ? 36.668 96.032 97.467 1.00 16.26 ? ? ? ? ? ? 95 GLN J CA 1 +ATOM 18631 C C . GLN J 1 96 ? 37.188 95.464 98.787 1.00 15.57 ? ? ? ? ? ? 95 GLN J C 1 +ATOM 18632 O O . GLN J 1 96 ? 38.384 95.341 98.951 1.00 16.52 ? ? ? ? ? ? 95 GLN J O 1 +ATOM 18633 C CB . GLN J 1 96 ? 36.436 97.515 97.601 1.00 16.10 ? ? ? ? ? ? 95 GLN J CB 1 +ATOM 18634 C CG . GLN J 1 96 ? 37.708 98.265 97.892 1.00 17.07 ? ? ? ? ? ? 95 GLN J CG 1 +ATOM 18635 C CD . GLN J 1 96 ? 37.459 99.732 98.101 1.00 27.43 ? ? ? ? ? ? 95 GLN J CD 1 +ATOM 18636 O OE1 . GLN J 1 96 ? 37.026 100.429 97.197 1.00 32.07 ? ? ? ? ? ? 95 GLN J OE1 1 +ATOM 18637 N NE2 . GLN J 1 96 ? 37.705 100.208 99.318 1.00 39.92 ? ? ? ? ? ? 95 GLN J NE2 1 +ATOM 18638 N N . ALA J 1 97 ? 36.295 95.129 99.719 1.00 15.54 ? ? ? ? ? ? 96 ALA J N 1 +ATOM 18639 C CA . ALA J 1 97 ? 36.702 94.492 100.980 1.00 15.47 ? ? ? ? ? ? 96 ALA J CA 1 +ATOM 18640 C C . ALA J 1 97 ? 37.442 93.195 100.705 1.00 16.26 ? ? ? ? ? ? 96 ALA J C 1 +ATOM 18641 O O . ALA J 1 97 ? 38.503 92.944 101.302 1.00 14.78 ? ? ? ? ? ? 96 ALA J O 1 +ATOM 18642 C CB . ALA J 1 97 ? 35.489 94.241 101.918 1.00 14.17 ? ? ? ? ? ? 96 ALA J CB 1 +ATOM 18643 N N . ILE J 1 98 ? 36.890 92.385 99.797 1.00 15.98 ? ? ? ? ? ? 97 ILE J N 1 +ATOM 18644 C CA . ILE J 1 98 ? 37.514 91.125 99.357 1.00 14.77 ? ? ? ? ? ? 97 ILE J CA 1 +ATOM 18645 C C . ILE J 1 98 ? 38.934 91.345 98.854 1.00 15.88 ? ? ? ? ? ? 97 ILE J C 1 +ATOM 18646 O O . ILE J 1 98 ? 39.851 90.750 99.399 1.00 16.41 ? ? ? ? ? ? 97 ILE J O 1 +ATOM 18647 C CB . ILE J 1 98 ? 36.707 90.368 98.278 1.00 14.75 ? ? ? ? ? ? 97 ILE J CB 1 +ATOM 18648 C CG1 . ILE J 1 98 ? 35.433 89.777 98.872 1.00 16.84 ? ? ? ? ? ? 97 ILE J CG1 1 +ATOM 18649 C CG2 . ILE J 1 98 ? 37.542 89.232 97.667 1.00 12.58 ? ? ? ? ? ? 97 ILE J CG2 1 +ATOM 18650 C CD1 . ILE J 1 98 ? 34.453 89.180 97.856 1.00 11.69 ? ? ? ? ? ? 97 ILE J CD1 1 +ATOM 18651 N N . LEU J 1 99 ? 39.117 92.224 97.863 1.00 16.40 ? ? ? ? ? ? 98 LEU J N 1 +ATOM 18652 C CA . LEU J 1 99 ? 40.436 92.521 97.307 1.00 16.59 ? ? ? ? ? ? 98 LEU J CA 1 +ATOM 18653 C C . LEU J 1 99 ? 41.404 93.064 98.364 1.00 17.45 ? ? ? ? ? ? 98 LEU J C 1 +ATOM 18654 O O . LEU J 1 99 ? 42.568 92.688 98.359 1.00 18.04 ? ? ? ? ? ? 98 LEU J O 1 +ATOM 18655 C CB . LEU J 1 99 ? 40.360 93.502 96.114 1.00 16.30 ? ? ? ? ? ? 98 LEU J CB 1 +ATOM 18656 C CG . LEU J 1 99 ? 41.696 93.774 95.377 1.00 17.26 ? ? ? ? ? ? 98 LEU J CG 1 +ATOM 18657 C CD1 . LEU J 1 99 ? 42.302 92.483 94.776 1.00 14.25 ? ? ? ? ? ? 98 LEU J CD1 1 +ATOM 18658 C CD2 . LEU J 1 99 ? 41.565 94.785 94.296 1.00 16.10 ? ? ? ? ? ? 98 LEU J CD2 1 +ATOM 18659 N N . GLU J 1 100 ? 40.927 93.973 99.228 1.00 17.87 ? ? ? ? ? ? 99 GLU J N 1 +ATOM 18660 C CA . GLU J 1 100 ? 41.707 94.470 100.387 1.00 18.26 ? ? ? ? ? ? 99 GLU J CA 1 +ATOM 18661 C C . GLU J 1 100 ? 42.236 93.330 101.269 1.00 17.69 ? ? ? ? ? ? 99 GLU J C 1 +ATOM 18662 O O . GLU J 1 100 ? 43.391 93.323 101.647 1.00 17.78 ? ? ? ? ? ? 99 GLU J O 1 +ATOM 18663 C CB . GLU J 1 100 ? 40.842 95.424 101.258 1.00 19.26 ? ? ? ? ? ? 99 GLU J CB 1 +ATOM 18664 C CG . GLU J 1 100 ? 40.717 96.866 100.735 1.00 20.73 ? ? ? ? ? ? 99 GLU J CG 1 +ATOM 18665 C CD . GLU J 1 100 ? 39.614 97.709 101.435 1.00 23.71 ? ? ? ? ? ? 99 GLU J CD 1 +ATOM 18666 O OE1 . GLU J 1 100 ? 38.892 97.189 102.327 1.00 26.59 ? ? ? ? ? ? 99 GLU J OE1 1 +ATOM 18667 O OE2 . GLU J 1 100 ? 39.453 98.899 101.064 1.00 24.58 ? ? ? ? ? ? 99 GLU J OE2 1 +ATOM 18668 N N . ASP J 1 101 ? 41.395 92.359 101.592 1.00 16.95 ? ? ? ? ? ? 100 ASP J N 1 +ATOM 18669 C CA . ASP J 1 101 ? 41.860 91.212 102.390 1.00 17.08 ? ? ? ? ? ? 100 ASP J CA 1 +ATOM 18670 C C . ASP J 1 101 ? 42.890 90.324 101.672 1.00 17.76 ? ? ? ? ? ? 100 ASP J C 1 +ATOM 18671 O O . ASP J 1 101 ? 43.896 89.934 102.279 1.00 18.16 ? ? ? ? ? ? 100 ASP J O 1 +ATOM 18672 C CB . ASP J 1 101 ? 40.673 90.439 102.941 1.00 15.48 ? ? ? ? ? ? 100 ASP J CB 1 +ATOM 18673 C CG . ASP J 1 101 ? 39.902 91.264 103.976 1.00 21.20 ? ? ? ? ? ? 100 ASP J CG 1 +ATOM 18674 O OD1 . ASP J 1 101 ? 40.361 92.406 104.280 1.00 20.45 ? ? ? ? ? ? 100 ASP J OD1 1 +ATOM 18675 O OD2 . ASP J 1 101 ? 38.847 90.795 104.455 1.00 21.78 ? ? ? ? ? ? 100 ASP J OD2 1 +ATOM 18676 N N . ILE J 1 102 ? 42.694 90.092 100.374 1.00 17.86 ? ? ? ? ? ? 101 ILE J N 1 +ATOM 18677 C CA . ILE J 1 102 ? 43.628 89.294 99.586 1.00 15.57 ? ? ? ? ? ? 101 ILE J CA 1 +ATOM 18678 C C . ILE J 1 102 ? 44.974 89.998 99.511 1.00 17.01 ? ? ? ? ? ? 101 ILE J C 1 +ATOM 18679 O O . ILE J 1 102 ? 46.020 89.407 99.790 1.00 18.19 ? ? ? ? ? ? 101 ILE J O 1 +ATOM 18680 C CB . ILE J 1 102 ? 43.043 89.024 98.158 1.00 16.46 ? ? ? ? ? ? 101 ILE J CB 1 +ATOM 18681 C CG1 . ILE J 1 102 ? 41.726 88.217 98.251 1.00 14.13 ? ? ? ? ? ? 101 ILE J CG1 1 +ATOM 18682 C CG2 . ILE J 1 102 ? 44.021 88.294 97.296 1.00 14.86 ? ? ? ? ? ? 101 ILE J CG2 1 +ATOM 18683 C CD1 . ILE J 1 102 ? 41.032 87.888 96.830 1.00 13.74 ? ? ? ? ? ? 101 ILE J CD1 1 +ATOM 18684 N N . VAL J 1 103 ? 44.960 91.290 99.174 1.00 17.87 ? ? ? ? ? ? 102 VAL J N 1 +ATOM 18685 C CA . VAL J 1 103 ? 46.196 92.044 99.030 1.00 17.32 ? ? ? ? ? ? 102 VAL J CA 1 +ATOM 18686 C C . VAL J 1 103 ? 46.914 92.107 100.368 1.00 18.05 ? ? ? ? ? ? 102 VAL J C 1 +ATOM 18687 O O . VAL J 1 103 ? 48.149 91.895 100.438 1.00 19.00 ? ? ? ? ? ? 102 VAL J O 1 +ATOM 18688 C CB . VAL J 1 103 ? 45.930 93.444 98.387 1.00 18.98 ? ? ? ? ? ? 102 VAL J CB 1 +ATOM 18689 C CG1 . VAL J 1 103 ? 47.187 94.302 98.357 1.00 14.97 ? ? ? ? ? ? 102 VAL J CG1 1 +ATOM 18690 C CG2 . VAL J 1 103 ? 45.364 93.264 96.950 1.00 17.75 ? ? ? ? ? ? 102 VAL J CG2 1 +ATOM 18691 N N . SER J 1 104 ? 46.166 92.383 101.439 1.00 17.45 ? ? ? ? ? ? 103 SER J N 1 +ATOM 18692 C CA . SER J 1 104 ? 46.768 92.449 102.773 1.00 18.58 ? ? ? ? ? ? 103 SER J CA 1 +ATOM 18693 C C . SER J 1 104 ? 47.536 91.159 103.126 1.00 18.34 ? ? ? ? ? ? 103 SER J C 1 +ATOM 18694 O O . SER J 1 104 ? 48.672 91.214 103.601 1.00 19.18 ? ? ? ? ? ? 103 SER J O 1 +ATOM 18695 C CB . SER J 1 104 ? 45.710 92.725 103.842 1.00 16.44 ? ? ? ? ? ? 103 SER J CB 1 +ATOM 18696 O OG . SER J 1 104 ? 46.293 92.632 105.146 1.00 29.33 ? ? ? ? ? ? 103 SER J OG 1 +ATOM 18697 N N . SER J 1 105 ? 46.908 90.008 102.889 1.00 18.39 ? ? ? ? ? ? 104 SER J N 1 +ATOM 18698 C CA . SER J 1 105 ? 47.537 88.717 103.196 1.00 17.97 ? ? ? ? ? ? 104 SER J CA 1 +ATOM 18699 C C . SER J 1 105 ? 48.742 88.482 102.297 1.00 17.24 ? ? ? ? ? ? 104 SER J C 1 +ATOM 18700 O O . SER J 1 105 ? 49.841 88.207 102.794 1.00 17.52 ? ? ? ? ? ? 104 SER J O 1 +ATOM 18701 C CB . SER J 1 105 ? 46.546 87.554 103.086 1.00 19.96 ? ? ? ? ? ? 104 SER J CB 1 +ATOM 18702 O OG . SER J 1 105 ? 45.544 87.628 104.073 1.00 18.61 ? ? ? ? ? ? 104 SER J OG 1 +ATOM 18703 N N . LEU J 1 106 ? 48.547 88.619 100.989 1.00 17.24 ? ? ? ? ? ? 105 LEU J N 1 +ATOM 18704 C CA . LEU J 1 106 ? 49.626 88.415 100.035 1.00 17.67 ? ? ? ? ? ? 105 LEU J CA 1 +ATOM 18705 C C . LEU J 1 106 ? 50.825 89.304 100.337 1.00 18.54 ? ? ? ? ? ? 105 LEU J C 1 +ATOM 18706 O O . LEU J 1 106 ? 51.937 88.808 100.265 1.00 18.21 ? ? ? ? ? ? 105 LEU J O 1 +ATOM 18707 C CB . LEU J 1 106 ? 49.187 88.635 98.568 1.00 19.32 ? ? ? ? ? ? 105 LEU J CB 1 +ATOM 18708 C CG . LEU J 1 106 ? 48.138 87.704 97.931 1.00 16.19 ? ? ? ? ? ? 105 LEU J CG 1 +ATOM 18709 C CD1 . LEU J 1 106 ? 47.751 88.220 96.506 1.00 12.64 ? ? ? ? ? ? 105 LEU J CD1 1 +ATOM 18710 C CD2 . LEU J 1 106 ? 48.577 86.292 97.916 1.00 16.42 ? ? ? ? ? ? 105 LEU J CD2 1 +ATOM 18711 N N . HIS J 1 107 ? 50.595 90.580 100.679 1.00 19.08 ? ? ? ? ? ? 106 HIS J N 1 +ATOM 18712 C CA . HIS J 1 107 ? 51.688 91.511 101.010 1.00 21.40 ? ? ? ? ? ? 106 HIS J CA 1 +ATOM 18713 C C . HIS J 1 107 ? 52.485 91.061 102.230 1.00 21.11 ? ? ? ? ? ? 106 HIS J C 1 +ATOM 18714 O O . HIS J 1 107 ? 53.698 91.173 102.263 1.00 22.95 ? ? ? ? ? ? 106 HIS J O 1 +ATOM 18715 C CB . HIS J 1 107 ? 51.142 92.933 101.204 1.00 23.60 ? ? ? ? ? ? 106 HIS J CB 1 +ATOM 18716 C CG . HIS J 1 107 ? 52.205 93.991 101.332 1.00 23.28 ? ? ? ? ? ? 106 HIS J CG 1 +ATOM 18717 N ND1 . HIS J 1 107 ? 52.780 94.340 102.539 1.00 24.03 ? ? ? ? ? ? 106 HIS J ND1 1 +ATOM 18718 C CD2 . HIS J 1 107 ? 52.773 94.796 100.400 1.00 24.41 ? ? ? ? ? ? 106 HIS J CD2 1 +ATOM 18719 C CE1 . HIS J 1 107 ? 53.669 95.301 102.337 1.00 25.21 ? ? ? ? ? ? 106 HIS J CE1 1 +ATOM 18720 N NE2 . HIS J 1 107 ? 53.690 95.588 101.047 1.00 21.47 ? ? ? ? ? ? 106 HIS J NE2 1 +ATOM 18721 N N . VAL J 1 108 ? 51.802 90.536 103.236 1.00 21.85 ? ? ? ? ? ? 107 VAL J N 1 +ATOM 18722 C CA . VAL J 1 108 ? 52.473 90.039 104.445 1.00 23.00 ? ? ? ? ? ? 107 VAL J CA 1 +ATOM 18723 C C . VAL J 1 108 ? 53.339 88.827 104.124 1.00 22.34 ? ? ? ? ? ? 107 VAL J C 1 +ATOM 18724 O O . VAL J 1 108 ? 54.363 88.589 104.769 1.00 22.69 ? ? ? ? ? ? 107 VAL J O 1 +ATOM 18725 C CB . VAL J 1 108 ? 51.447 89.687 105.553 1.00 20.73 ? ? ? ? ? ? 107 VAL J CB 1 +ATOM 18726 C CG1 . VAL J 1 108 ? 52.055 88.750 106.649 1.00 21.04 ? ? ? ? ? ? 107 VAL J CG1 1 +ATOM 18727 C CG2 . VAL J 1 108 ? 50.932 90.942 106.151 1.00 18.47 ? ? ? ? ? ? 107 VAL J CG2 1 +ATOM 18728 N N . GLN J 1 109 ? 52.915 88.074 103.122 1.00 21.99 ? ? ? ? ? ? 108 GLN J N 1 +ATOM 18729 C CA . GLN J 1 109 ? 53.615 86.844 102.696 1.00 21.73 ? ? ? ? ? ? 108 GLN J CA 1 +ATOM 18730 C C . GLN J 1 109 ? 54.811 87.111 101.819 1.00 22.93 ? ? ? ? ? ? 108 GLN J C 1 +ATOM 18731 O O . GLN J 1 109 ? 55.501 86.171 101.433 1.00 23.58 ? ? ? ? ? ? 108 GLN J O 1 +ATOM 18732 C CB . GLN J 1 109 ? 52.648 85.931 101.937 1.00 21.03 ? ? ? ? ? ? 108 GLN J CB 1 +ATOM 18733 C CG . GLN J 1 109 ? 51.522 85.425 102.814 1.00 19.41 ? ? ? ? ? ? 108 GLN J CG 1 +ATOM 18734 C CD . GLN J 1 109 ? 50.300 85.005 102.035 1.00 16.16 ? ? ? ? ? ? 108 GLN J CD 1 +ATOM 18735 O OE1 . GLN J 1 109 ? 50.367 84.748 100.840 1.00 20.83 ? ? ? ? ? ? 108 GLN J OE1 1 +ATOM 18736 N NE2 . GLN J 1 109 ? 49.194 84.881 102.719 1.00 16.64 ? ? ? ? ? ? 108 GLN J NE2 1 +ATOM 18737 N N . GLY J 1 110 ? 55.026 88.376 101.473 1.00 22.62 ? ? ? ? ? ? 109 GLY J N 1 +ATOM 18738 C CA . GLY J 1 110 ? 56.189 88.779 100.719 1.00 22.09 ? ? ? ? ? ? 109 GLY J CA 1 +ATOM 18739 C C . GLY J 1 110 ? 55.947 89.038 99.254 1.00 22.27 ? ? ? ? ? ? 109 GLY J C 1 +ATOM 18740 O O . GLY J 1 110 ? 56.892 89.370 98.551 1.00 21.62 ? ? ? ? ? ? 109 GLY J O 1 +ATOM 18741 N N . PHE J 1 111 ? 54.704 88.885 98.780 1.00 20.90 ? ? ? ? ? ? 110 PHE J N 1 +ATOM 18742 C CA . PHE J 1 111 ? 54.397 89.016 97.350 1.00 19.22 ? ? ? ? ? ? 110 PHE J CA 1 +ATOM 18743 C C . PHE J 1 111 ? 54.147 90.476 96.969 1.00 20.47 ? ? ? ? ? ? 110 PHE J C 1 +ATOM 18744 O O . PHE J 1 111 ? 53.630 91.257 97.774 1.00 21.35 ? ? ? ? ? ? 110 PHE J O 1 +ATOM 18745 C CB . PHE J 1 111 ? 53.200 88.166 96.974 1.00 20.62 ? ? ? ? ? ? 110 PHE J CB 1 +ATOM 18746 C CG . PHE J 1 111 ? 53.399 86.695 97.228 1.00 19.08 ? ? ? ? ? ? 110 PHE J CG 1 +ATOM 18747 C CD1 . PHE J 1 111 ? 54.397 86.000 96.573 1.00 18.76 ? ? ? ? ? ? 110 PHE J CD1 1 +ATOM 18748 C CD2 . PHE J 1 111 ? 52.581 86.020 98.115 1.00 15.92 ? ? ? ? ? ? 110 PHE J CD2 1 +ATOM 18749 C CE1 . PHE J 1 111 ? 54.598 84.664 96.806 1.00 22.31 ? ? ? ? ? ? 110 PHE J CE1 1 +ATOM 18750 C CE2 . PHE J 1 111 ? 52.736 84.664 98.344 1.00 18.70 ? ? ? ? ? ? 110 PHE J CE2 1 +ATOM 18751 C CZ . PHE J 1 111 ? 53.766 83.979 97.708 1.00 22.68 ? ? ? ? ? ? 110 PHE J CZ 1 +ATOM 18752 N N . ARG J 1 112 ? 54.553 90.857 95.759 1.00 20.00 ? ? ? ? ? ? 111 ARG J N 1 +ATOM 18753 C CA . ARG J 1 112 ? 54.495 92.245 95.334 1.00 21.41 ? ? ? ? ? ? 111 ARG J CA 1 +ATOM 18754 C C . ARG J 1 112 ? 53.849 92.486 93.950 1.00 20.46 ? ? ? ? ? ? 111 ARG J C 1 +ATOM 18755 O O . ARG J 1 112 ? 53.766 93.626 93.507 1.00 20.48 ? ? ? ? ? ? 111 ARG J O 1 +ATOM 18756 C CB . ARG J 1 112 ? 55.902 92.823 95.374 1.00 20.35 ? ? ? ? ? ? 111 ARG J CB 1 +ATOM 18757 C CG . ARG J 1 112 ? 56.497 92.914 96.797 1.00 20.87 ? ? ? ? ? ? 111 ARG J CG 1 +ATOM 18758 C CD . ARG J 1 112 ? 55.748 93.849 97.722 1.00 17.68 ? ? ? ? ? ? 111 ARG J CD 1 +ATOM 18759 N NE . ARG J 1 112 ? 56.376 93.936 99.040 1.00 24.93 ? ? ? ? ? ? 111 ARG J NE 1 +ATOM 18760 C CZ . ARG J 1 112 ? 56.094 93.171 100.088 1.00 23.10 ? ? ? ? ? ? 111 ARG J CZ 1 +ATOM 18761 N NH1 . ARG J 1 112 ? 55.167 92.219 100.031 1.00 20.73 ? ? ? ? ? ? 111 ARG J NH1 1 +ATOM 18762 N NH2 . ARG J 1 112 ? 56.735 93.370 101.222 1.00 23.79 ? ? ? ? ? ? 111 ARG J NH2 1 +ATOM 18763 N N . LYS J 1 113 ? 53.392 91.419 93.297 1.00 19.62 ? ? ? ? ? ? 112 LYS J N 1 +ATOM 18764 C CA . LYS J 1 113 ? 52.824 91.459 91.950 1.00 20.23 ? ? ? ? ? ? 112 LYS J CA 1 +ATOM 18765 C C . LYS J 1 113 ? 51.614 90.549 91.806 1.00 19.47 ? ? ? ? ? ? 112 LYS J C 1 +ATOM 18766 O O . LYS J 1 113 ? 51.702 89.323 91.998 1.00 19.11 ? ? ? ? ? ? 112 LYS J O 1 +ATOM 18767 C CB . LYS J 1 113 ? 53.864 91.018 90.913 1.00 21.67 ? ? ? ? ? ? 112 LYS J CB 1 +ATOM 18768 C CG . LYS J 1 113 ? 55.068 91.953 90.825 1.00 25.03 ? ? ? ? ? ? 112 LYS J CG 1 +ATOM 18769 C CD . LYS J 1 113 ? 56.279 91.279 90.289 1.00 32.49 ? ? ? ? ? ? 112 LYS J CD 1 +ATOM 18770 C CE . LYS J 1 113 ? 57.450 92.270 90.221 1.00 40.42 ? ? ? ? ? ? 112 LYS J CE 1 +ATOM 18771 N NZ . LYS J 1 113 ? 58.581 91.793 89.372 1.00 42.96 ? ? ? ? ? ? 112 LYS J NZ 1 +ATOM 18772 N N . LEU J 1 114 ? 50.512 91.160 91.385 1.00 18.90 ? ? ? ? ? ? 113 LEU J N 1 +ATOM 18773 C CA . LEU J 1 114 ? 49.219 90.515 91.271 1.00 18.51 ? ? ? ? ? ? 113 LEU J CA 1 +ATOM 18774 C C . LEU J 1 114 ? 48.494 90.959 90.002 1.00 18.23 ? ? ? ? ? ? 113 LEU J C 1 +ATOM 18775 O O . LEU J 1 114 ? 48.379 92.157 89.698 1.00 19.11 ? ? ? ? ? ? 113 LEU J O 1 +ATOM 18776 C CB . LEU J 1 114 ? 48.328 90.880 92.477 1.00 19.98 ? ? ? ? ? ? 113 LEU J CB 1 +ATOM 18777 C CG . LEU J 1 114 ? 46.865 90.403 92.432 1.00 14.74 ? ? ? ? ? ? 113 LEU J CG 1 +ATOM 18778 C CD1 . LEU J 1 114 ? 46.786 88.938 92.599 1.00 12.96 ? ? ? ? ? ? 113 LEU J CD1 1 +ATOM 18779 C CD2 . LEU J 1 114 ? 46.071 91.104 93.512 1.00 16.80 ? ? ? ? ? ? 113 LEU J CD2 1 +ATOM 18780 N N . LEU J 1 115 ? 47.993 89.982 89.272 1.00 17.95 ? ? ? ? ? ? 114 LEU J N 1 +ATOM 18781 C CA . LEU J 1 115 ? 47.067 90.240 88.171 1.00 17.59 ? ? ? ? ? ? 114 LEU J CA 1 +ATOM 18782 C C . LEU J 1 115 ? 45.685 89.744 88.543 1.00 17.23 ? ? ? ? ? ? 114 LEU J C 1 +ATOM 18783 O O . LEU J 1 115 ? 45.518 88.590 88.892 1.00 18.84 ? ? ? ? ? ? 114 LEU J O 1 +ATOM 18784 C CB . LEU J 1 115 ? 47.538 89.512 86.900 1.00 19.34 ? ? ? ? ? ? 114 LEU J CB 1 +ATOM 18785 C CG . LEU J 1 115 ? 46.607 89.580 85.685 1.00 18.88 ? ? ? ? ? ? 114 LEU J CG 1 +ATOM 18786 C CD1 . LEU J 1 115 ? 46.638 91.010 85.039 1.00 13.23 ? ? ? ? ? ? 114 LEU J CD1 1 +ATOM 18787 C CD2 . LEU J 1 115 ? 46.986 88.499 84.741 1.00 15.98 ? ? ? ? ? ? 114 LEU J CD2 1 +ATOM 18788 N N . ILE J 1 116 ? 44.688 90.596 88.415 1.00 17.47 ? ? ? ? ? ? 115 ILE J N 1 +ATOM 18789 C CA . ILE J 1 116 ? 43.304 90.155 88.489 1.00 17.33 ? ? ? ? ? ? 115 ILE J CA 1 +ATOM 18790 C C . ILE J 1 116 ? 42.877 89.770 87.065 1.00 18.42 ? ? ? ? ? ? 115 ILE J C 1 +ATOM 18791 O O . ILE J 1 116 ? 42.895 90.613 86.180 1.00 18.96 ? ? ? ? ? ? 115 ILE J O 1 +ATOM 18792 C CB . ILE J 1 116 ? 42.401 91.239 89.059 1.00 18.11 ? ? ? ? ? ? 115 ILE J CB 1 +ATOM 18793 C CG1 . ILE J 1 116 ? 42.992 91.790 90.384 1.00 16.37 ? ? ? ? ? ? 115 ILE J CG1 1 +ATOM 18794 C CG2 . ILE J 1 116 ? 40.931 90.721 89.167 1.00 14.90 ? ? ? ? ? ? 115 ILE J CG2 1 +ATOM 18795 C CD1 . ILE J 1 116 ? 42.264 93.013 90.937 1.00 14.25 ? ? ? ? ? ? 115 ILE J CD1 1 +ATOM 18796 N N . LEU J 1 117 ? 42.523 88.509 86.837 1.00 17.66 ? ? ? ? ? ? 116 LEU J N 1 +ATOM 18797 C CA . LEU J 1 117 ? 42.040 88.070 85.522 1.00 17.05 ? ? ? ? ? ? 116 LEU J CA 1 +ATOM 18798 C C . LEU J 1 117 ? 40.560 87.780 85.622 1.00 17.28 ? ? ? ? ? ? 116 LEU J C 1 +ATOM 18799 O O . LEU J 1 117 ? 40.129 86.754 86.116 1.00 17.79 ? ? ? ? ? ? 116 LEU J O 1 +ATOM 18800 C CB . LEU J 1 117 ? 42.782 86.827 85.026 1.00 17.48 ? ? ? ? ? ? 116 LEU J CB 1 +ATOM 18801 C CG . LEU J 1 117 ? 42.483 86.353 83.593 1.00 17.27 ? ? ? ? ? ? 116 LEU J CG 1 +ATOM 18802 C CD1 . LEU J 1 117 ? 42.904 87.457 82.589 1.00 12.19 ? ? ? ? ? ? 116 LEU J CD1 1 +ATOM 18803 C CD2 . LEU J 1 117 ? 43.180 85.036 83.263 1.00 13.10 ? ? ? ? ? ? 116 LEU J CD2 1 +ATOM 18804 N N . SER J 1 118 ? 39.776 88.700 85.109 1.00 18.51 ? ? ? ? ? ? 117 SER J N 1 +ATOM 18805 C CA . SER J 1 118 ? 38.351 88.665 85.274 1.00 18.56 ? ? ? ? ? ? 117 SER J CA 1 +ATOM 18806 C C . SER J 1 118 ? 37.726 87.905 84.122 1.00 20.77 ? ? ? ? ? ? 117 SER J C 1 +ATOM 18807 O O . SER J 1 118 ? 38.194 88.016 82.992 1.00 20.57 ? ? ? ? ? ? 117 SER J O 1 +ATOM 18808 C CB . SER J 1 118 ? 37.809 90.098 85.352 1.00 19.69 ? ? ? ? ? ? 117 SER J CB 1 +ATOM 18809 O OG . SER J 1 118 ? 36.397 90.121 85.368 1.00 21.93 ? ? ? ? ? ? 117 SER J OG 1 +ATOM 18810 N N . GLY J 1 119 ? 36.674 87.125 84.435 1.00 20.42 ? ? ? ? ? ? 118 GLY J N 1 +ATOM 18811 C CA . GLY J 1 119 ? 35.804 86.565 83.436 1.00 20.68 ? ? ? ? ? ? 118 GLY J CA 1 +ATOM 18812 C C . GLY J 1 119 ? 34.422 87.192 83.347 1.00 19.95 ? ? ? ? ? ? 118 GLY J C 1 +ATOM 18813 O O . GLY J 1 119 ? 33.595 86.676 82.668 1.00 21.14 ? ? ? ? ? ? 118 GLY J O 1 +ATOM 18814 N N . HIS J 1 120 ? 34.178 88.300 84.030 1.00 19.67 ? ? ? ? ? ? 119 HIS J N 1 +ATOM 18815 C CA . HIS J 1 120 ? 32.879 88.948 84.045 1.00 21.03 ? ? ? ? ? ? 119 HIS J CA 1 +ATOM 18816 C C . HIS J 1 120 ? 33.052 90.449 83.798 1.00 22.48 ? ? ? ? ? ? 119 HIS J C 1 +ATOM 18817 O O . HIS J 1 120 ? 33.688 91.160 84.593 1.00 23.63 ? ? ? ? ? ? 119 HIS J O 1 +ATOM 18818 C CB . HIS J 1 120 ? 32.211 88.717 85.410 1.00 21.55 ? ? ? ? ? ? 119 HIS J CB 1 +ATOM 18819 C CG . HIS J 1 120 ? 30.944 89.475 85.601 1.00 20.82 ? ? ? ? ? ? 119 HIS J CG 1 +ATOM 18820 N ND1 . HIS J 1 120 ? 29.810 89.236 84.850 1.00 19.92 ? ? ? ? ? ? 119 HIS J ND1 1 +ATOM 18821 C CD2 . HIS J 1 120 ? 30.619 90.458 86.472 1.00 23.63 ? ? ? ? ? ? 119 HIS J CD2 1 +ATOM 18822 C CE1 . HIS J 1 120 ? 28.847 90.045 85.247 1.00 21.46 ? ? ? ? ? ? 119 HIS J CE1 1 +ATOM 18823 N NE2 . HIS J 1 120 ? 29.308 90.791 86.239 1.00 21.22 ? ? ? ? ? ? 119 HIS J NE2 1 +ATOM 18824 N N . GLY J 1 121 ? 32.465 90.928 82.704 1.00 22.96 ? ? ? ? ? ? 120 GLY J N 1 +ATOM 18825 C CA . GLY J 1 121 ? 32.597 92.312 82.277 1.00 22.78 ? ? ? ? ? ? 120 GLY J CA 1 +ATOM 18826 C C . GLY J 1 121 ? 31.902 93.331 83.167 1.00 23.44 ? ? ? ? ? ? 120 GLY J C 1 +ATOM 18827 O O . GLY J 1 121 ? 32.206 94.509 83.100 1.00 24.49 ? ? ? ? ? ? 120 GLY J O 1 +ATOM 18828 N N . GLY J 1 122 ? 30.944 92.884 83.969 1.00 23.59 ? ? ? ? ? ? 121 GLY J N 1 +ATOM 18829 C CA . GLY J 1 122 ? 30.345 93.723 84.985 1.00 22.75 ? ? ? ? ? ? 121 GLY J CA 1 +ATOM 18830 C C . GLY J 1 122 ? 31.278 94.090 86.121 1.00 22.56 ? ? ? ? ? ? 121 GLY J C 1 +ATOM 18831 O O . GLY J 1 122 ? 31.004 95.029 86.843 1.00 23.01 ? ? ? ? ? ? 121 GLY J O 1 +ATOM 18832 N N . ASN J 1 123 ? 32.380 93.352 86.291 1.00 22.59 ? ? ? ? ? ? 122 ASN J N 1 +ATOM 18833 C CA . ASN J 1 123 ? 33.399 93.711 87.277 1.00 21.54 ? ? ? ? ? ? 122 ASN J CA 1 +ATOM 18834 C C . ASN J 1 123 ? 34.272 94.828 86.752 1.00 22.07 ? ? ? ? ? ? 122 ASN J C 1 +ATOM 18835 O O . ASN J 1 123 ? 34.706 94.787 85.622 1.00 21.81 ? ? ? ? ? ? 122 ASN J O 1 +ATOM 18836 C CB . ASN J 1 123 ? 34.319 92.529 87.610 1.00 22.16 ? ? ? ? ? ? 122 ASN J CB 1 +ATOM 18837 C CG . ASN J 1 123 ? 33.586 91.384 88.252 1.00 22.02 ? ? ? ? ? ? 122 ASN J CG 1 +ATOM 18838 O OD1 . ASN J 1 123 ? 32.585 91.601 88.939 1.00 20.97 ? ? ? ? ? ? 122 ASN J OD1 1 +ATOM 18839 N ND2 . ASN J 1 123 ? 34.069 90.161 88.033 1.00 16.62 ? ? ? ? ? ? 122 ASN J ND2 1 +ATOM 18840 N N . ASN J 1 124 ? 34.563 95.786 87.621 1.00 21.12 ? ? ? ? ? ? 123 ASN J N 1 +ATOM 18841 C CA . ASN J 1 124 ? 35.407 96.921 87.333 1.00 22.90 ? ? ? ? ? ? 123 ASN J CA 1 +ATOM 18842 C C . ASN J 1 124 ? 36.357 97.106 88.524 1.00 20.47 ? ? ? ? ? ? 123 ASN J C 1 +ATOM 18843 O O . ASN J 1 124 ? 35.905 97.207 89.636 1.00 21.28 ? ? ? ? ? ? 123 ASN J O 1 +ATOM 18844 C CB . ASN J 1 124 ? 34.527 98.148 87.123 1.00 23.72 ? ? ? ? ? ? 123 ASN J CB 1 +ATOM 18845 C CG . ASN J 1 124 ? 33.707 98.077 85.832 1.00 31.07 ? ? ? ? ? ? 123 ASN J CG 1 +ATOM 18846 O OD1 . ASN J 1 124 ? 34.262 98.175 84.745 1.00 37.51 ? ? ? ? ? ? 123 ASN J OD1 1 +ATOM 18847 N ND2 . ASN J 1 124 ? 32.366 97.921 85.956 1.00 32.56 ? ? ? ? ? ? 123 ASN J ND2 1 +ATOM 18848 N N . PHE J 1 125 ? 37.660 97.125 88.265 1.00 20.41 ? ? ? ? ? ? 124 PHE J N 1 +ATOM 18849 C CA . PHE J 1 125 ? 38.699 97.090 89.331 1.00 19.29 ? ? ? ? ? ? 124 PHE J CA 1 +ATOM 18850 C C . PHE J 1 125 ? 39.622 98.303 89.356 1.00 18.70 ? ? ? ? ? ? 124 PHE J C 1 +ATOM 18851 O O . PHE J 1 125 ? 40.497 98.360 90.165 1.00 19.37 ? ? ? ? ? ? 124 PHE J O 1 +ATOM 18852 C CB . PHE J 1 125 ? 39.562 95.818 89.221 1.00 19.25 ? ? ? ? ? ? 124 PHE J CB 1 +ATOM 18853 C CG . PHE J 1 125 ? 38.787 94.546 89.323 1.00 20.54 ? ? ? ? ? ? 124 PHE J CG 1 +ATOM 18854 C CD1 . PHE J 1 125 ? 38.338 94.082 90.563 1.00 21.33 ? ? ? ? ? ? 124 PHE J CD1 1 +ATOM 18855 C CD2 . PHE J 1 125 ? 38.513 93.800 88.188 1.00 17.67 ? ? ? ? ? ? 124 PHE J CD2 1 +ATOM 18856 C CE1 . PHE J 1 125 ? 37.611 92.948 90.666 1.00 15.53 ? ? ? ? ? ? 124 PHE J CE1 1 +ATOM 18857 C CE2 . PHE J 1 125 ? 37.778 92.646 88.286 1.00 17.26 ? ? ? ? ? ? 124 PHE J CE2 1 +ATOM 18858 C CZ . PHE J 1 125 ? 37.331 92.213 89.539 1.00 19.75 ? ? ? ? ? ? 124 PHE J CZ 1 +ATOM 18859 N N . LYS J 1 126 ? 39.428 99.275 88.479 1.00 19.38 ? ? ? ? ? ? 125 LYS J N 1 +ATOM 18860 C CA . LYS J 1 126 ? 40.389 100.383 88.350 1.00 18.87 ? ? ? ? ? ? 125 LYS J CA 1 +ATOM 18861 C C . LYS J 1 126 ? 40.395 101.296 89.586 1.00 18.94 ? ? ? ? ? ? 125 LYS J C 1 +ATOM 18862 O O . LYS J 1 126 ? 41.466 101.661 90.087 1.00 20.69 ? ? ? ? ? ? 125 LYS J O 1 +ATOM 18863 C CB . LYS J 1 126 ? 40.075 101.202 87.117 1.00 19.64 ? ? ? ? ? ? 125 LYS J CB 1 +ATOM 18864 C CG . LYS J 1 126 ? 40.330 100.484 85.784 1.00 20.16 ? ? ? ? ? ? 125 LYS J CG 1 +ATOM 18865 C CD . LYS J 1 126 ? 40.253 101.497 84.644 1.00 23.48 ? ? ? ? ? ? 125 LYS J CD 1 +ATOM 18866 C CE . LYS J 1 126 ? 40.250 100.842 83.271 1.00 28.08 ? ? ? ? ? ? 125 LYS J CE 1 +ATOM 18867 N NZ . LYS J 1 126 ? 40.414 101.885 82.251 1.00 32.30 ? ? ? ? ? ? 125 LYS J NZ 1 +ATOM 18868 N N . GLY J 1 127 ? 39.215 101.641 90.094 1.00 18.03 ? ? ? ? ? ? 126 GLY J N 1 +ATOM 18869 C CA . GLY J 1 127 ? 39.093 102.391 91.357 1.00 18.22 ? ? ? ? ? ? 126 GLY J CA 1 +ATOM 18870 C C . GLY J 1 127 ? 39.736 101.686 92.545 1.00 19.53 ? ? ? ? ? ? 126 GLY J C 1 +ATOM 18871 O O . GLY J 1 127 ? 40.453 102.309 93.339 1.00 17.85 ? ? ? ? ? ? 126 GLY J O 1 +ATOM 18872 N N . MSE J 1 128 ? 39.473 100.382 92.673 1.00 19.85 ? ? ? ? ? ? 127 MSE J N 1 +ATOM 18873 C CA . MSE J 1 128 ? 40.071 99.576 93.753 1.00 19.71 ? ? ? ? ? ? 127 MSE J CA 1 +ATOM 18874 C C . MSE J 1 128 ? 41.568 99.577 93.629 1.00 18.30 ? ? ? ? ? ? 127 MSE J C 1 +ATOM 18875 O O . MSE J 1 128 ? 42.268 99.661 94.618 1.00 17.19 ? ? ? ? ? ? 127 MSE J O 1 +ATOM 18876 C CB . MSE J 1 128 ? 39.627 98.101 93.709 1.00 17.96 ? ? ? ? ? ? 127 MSE J CB 1 +ATOM 18877 C CG . MSE J 1 128 ? 38.175 97.894 93.927 1.00 23.84 ? ? ? ? ? ? 127 MSE J CG 1 +ATOM 18878 SE SE . MSE J 1 128 ? 37.672 96.080 93.795 0.75 18.25 ? ? ? ? ? ? 127 MSE J SE 1 +ATOM 18879 C CE . MSE J 1 128 ? 35.946 96.410 93.050 1.00 16.66 ? ? ? ? ? ? 127 MSE J CE 1 +ATOM 18880 N N . ILE J 1 129 ? 42.063 99.389 92.416 1.00 18.68 ? ? ? ? ? ? 128 ILE J N 1 +ATOM 18881 C CA . ILE J 1 129 ? 43.515 99.429 92.202 1.00 18.00 ? ? ? ? ? ? 128 ILE J CA 1 +ATOM 18882 C C . ILE J 1 129 ? 44.116 100.824 92.507 1.00 18.30 ? ? ? ? ? ? 128 ILE J C 1 +ATOM 18883 O O . ILE J 1 129 ? 45.218 100.938 93.072 1.00 18.25 ? ? ? ? ? ? 128 ILE J O 1 +ATOM 18884 C CB . ILE J 1 129 ? 43.873 98.950 90.779 1.00 18.70 ? ? ? ? ? ? 128 ILE J CB 1 +ATOM 18885 C CG1 . ILE J 1 129 ? 43.611 97.447 90.644 1.00 17.52 ? ? ? ? ? ? 128 ILE J CG1 1 +ATOM 18886 C CG2 . ILE J 1 129 ? 45.370 99.203 90.426 1.00 17.49 ? ? ? ? ? ? 128 ILE J CG2 1 +ATOM 18887 C CD1 . ILE J 1 129 ? 43.608 96.938 89.227 1.00 16.05 ? ? ? ? ? ? 128 ILE J CD1 1 +ATOM 18888 N N . ARG J 1 130 ? 43.420 101.899 92.145 1.00 18.17 ? ? ? ? ? ? 129 ARG J N 1 +ATOM 18889 C CA . ARG J 1 130 ? 43.930 103.236 92.460 1.00 18.62 ? ? ? ? ? ? 129 ARG J CA 1 +ATOM 18890 C C . ARG J 1 130 ? 44.100 103.447 93.970 1.00 19.11 ? ? ? ? ? ? 129 ARG J C 1 +ATOM 18891 O O . ARG J 1 130 ? 45.144 103.936 94.436 1.00 20.51 ? ? ? ? ? ? 129 ARG J O 1 +ATOM 18892 C CB . ARG J 1 130 ? 43.026 104.322 91.867 1.00 19.70 ? ? ? ? ? ? 129 ARG J CB 1 +ATOM 18893 C CG . ARG J 1 130 ? 43.243 104.526 90.378 1.00 23.17 ? ? ? ? ? ? 129 ARG J CG 1 +ATOM 18894 C CD . ARG J 1 130 ? 42.424 105.695 89.880 1.00 23.47 ? ? ? ? ? ? 129 ARG J CD 1 +ATOM 18895 N NE . ARG J 1 130 ? 42.833 106.136 88.558 1.00 20.92 ? ? ? ? ? ? 129 ARG J NE 1 +ATOM 18896 C CZ . ARG J 1 130 ? 42.335 105.665 87.421 1.00 25.30 ? ? ? ? ? ? 129 ARG J CZ 1 +ATOM 18897 N NH1 . ARG J 1 130 ? 41.379 104.745 87.435 1.00 28.06 ? ? ? ? ? ? 129 ARG J NH1 1 +ATOM 18898 N NH2 . ARG J 1 130 ? 42.785 106.133 86.256 1.00 27.04 ? ? ? ? ? ? 129 ARG J NH2 1 +ATOM 18899 N N . ASP J 1 131 ? 43.060 103.079 94.712 1.00 19.42 ? ? ? ? ? ? 130 ASP J N 1 +ATOM 18900 C CA . ASP J 1 131 ? 43.005 103.236 96.170 1.00 19.21 ? ? ? ? ? ? 130 ASP J CA 1 +ATOM 18901 C C . ASP J 1 131 ? 44.027 102.332 96.856 1.00 19.84 ? ? ? ? ? ? 130 ASP J C 1 +ATOM 18902 O O . ASP J 1 131 ? 44.658 102.746 97.829 1.00 20.45 ? ? ? ? ? ? 130 ASP J O 1 +ATOM 18903 C CB . ASP J 1 131 ? 41.582 102.952 96.682 1.00 20.42 ? ? ? ? ? ? 130 ASP J CB 1 +ATOM 18904 C CG . ASP J 1 131 ? 40.564 104.040 96.264 1.00 22.68 ? ? ? ? ? ? 130 ASP J CG 1 +ATOM 18905 O OD1 . ASP J 1 131 ? 40.989 105.155 95.882 1.00 21.95 ? ? ? ? ? ? 130 ASP J OD1 1 +ATOM 18906 O OD2 . ASP J 1 131 ? 39.350 103.772 96.322 1.00 23.49 ? ? ? ? ? ? 130 ASP J OD2 1 +ATOM 18907 N N . LEU J 1 132 ? 44.174 101.103 96.365 1.00 19.50 ? ? ? ? ? ? 131 LEU J N 1 +ATOM 18908 C CA . LEU J 1 132 ? 45.197 100.183 96.890 1.00 19.97 ? ? ? ? ? ? 131 LEU J CA 1 +ATOM 18909 C C . LEU J 1 132 ? 46.644 100.621 96.571 1.00 20.72 ? ? ? ? ? ? 131 LEU J C 1 +ATOM 18910 O O . LEU J 1 132 ? 47.569 100.308 97.313 1.00 21.56 ? ? ? ? ? ? 131 LEU J O 1 +ATOM 18911 C CB . LEU J 1 132 ? 44.931 98.764 96.403 1.00 19.11 ? ? ? ? ? ? 131 LEU J CB 1 +ATOM 18912 C CG . LEU J 1 132 ? 43.807 98.000 97.138 1.00 20.75 ? ? ? ? ? ? 131 LEU J CG 1 +ATOM 18913 C CD1 . LEU J 1 132 ? 43.337 96.709 96.456 1.00 19.48 ? ? ? ? ? ? 131 LEU J CD1 1 +ATOM 18914 C CD2 . LEU J 1 132 ? 44.227 97.690 98.547 1.00 17.27 ? ? ? ? ? ? 131 LEU J CD2 1 +ATOM 18915 N N . ALA J 1 133 ? 46.840 101.371 95.490 1.00 21.40 ? ? ? ? ? ? 132 ALA J N 1 +ATOM 18916 C CA . ALA J 1 133 ? 48.156 101.892 95.104 1.00 21.87 ? ? ? ? ? ? 132 ALA J CA 1 +ATOM 18917 C C . ALA J 1 133 ? 48.693 102.860 96.132 1.00 22.24 ? ? ? ? ? ? 132 ALA J C 1 +ATOM 18918 O O . ALA J 1 133 ? 49.879 102.920 96.369 1.00 23.57 ? ? ? ? ? ? 132 ALA J O 1 +ATOM 18919 C CB . ALA J 1 133 ? 48.094 102.562 93.709 1.00 19.55 ? ? ? ? ? ? 132 ALA J CB 1 +ATOM 18920 N N . PHE J 1 134 ? 47.801 103.603 96.775 1.00 24.36 ? ? ? ? ? ? 133 PHE J N 1 +ATOM 18921 C CA . PHE J 1 134 ? 48.202 104.525 97.849 1.00 25.48 ? ? ? ? ? ? 133 PHE J CA 1 +ATOM 18922 C C . PHE J 1 134 ? 48.415 103.773 99.172 1.00 26.13 ? ? ? ? ? ? 133 PHE J C 1 +ATOM 18923 O O . PHE J 1 134 ? 49.357 104.042 99.879 1.00 27.67 ? ? ? ? ? ? 133 PHE J O 1 +ATOM 18924 C CB . PHE J 1 134 ? 47.176 105.684 97.963 1.00 25.95 ? ? ? ? ? ? 133 PHE J CB 1 +ATOM 18925 C CG . PHE J 1 134 ? 47.080 106.530 96.700 1.00 26.04 ? ? ? ? ? ? 133 PHE J CG 1 +ATOM 18926 C CD1 . PHE J 1 134 ? 48.207 107.114 96.151 1.00 27.41 ? ? ? ? ? ? 133 PHE J CD1 1 +ATOM 18927 C CD2 . PHE J 1 134 ? 45.884 106.731 96.065 1.00 25.92 ? ? ? ? ? ? 133 PHE J CD2 1 +ATOM 18928 C CE1 . PHE J 1 134 ? 48.132 107.863 95.018 1.00 25.18 ? ? ? ? ? ? 133 PHE J CE1 1 +ATOM 18929 C CE2 . PHE J 1 134 ? 45.817 107.483 94.923 1.00 26.32 ? ? ? ? ? ? 133 PHE J CE2 1 +ATOM 18930 C CZ . PHE J 1 134 ? 46.949 108.058 94.403 1.00 24.21 ? ? ? ? ? ? 133 PHE J CZ 1 +ATOM 18931 N N . GLU J 1 135 ? 47.600 102.772 99.474 1.00 27.05 ? ? ? ? ? ? 134 GLU J N 1 +ATOM 18932 C CA . GLU J 1 135 ? 47.850 101.931 100.664 1.00 28.48 ? ? ? ? ? ? 134 GLU J CA 1 +ATOM 18933 C C . GLU J 1 135 ? 49.106 101.040 100.586 1.00 26.16 ? ? ? ? ? ? 134 GLU J C 1 +ATOM 18934 O O . GLU J 1 135 ? 49.794 100.845 101.586 1.00 25.05 ? ? ? ? ? ? 134 GLU J O 1 +ATOM 18935 C CB . GLU J 1 135 ? 46.645 101.034 100.957 1.00 28.63 ? ? ? ? ? ? 134 GLU J CB 1 +ATOM 18936 C CG . GLU J 1 135 ? 45.377 101.808 101.305 1.00 44.47 ? ? ? ? ? ? 134 GLU J CG 1 +ATOM 18937 C CD . GLU J 1 135 ? 45.575 102.723 102.509 1.00 52.13 ? ? ? ? ? ? 134 GLU J CD 1 +ATOM 18938 O OE1 . GLU J 1 135 ? 46.066 102.233 103.558 1.00 60.69 ? ? ? ? ? ? 134 GLU J OE1 1 +ATOM 18939 O OE2 . GLU J 1 135 ? 45.251 103.933 102.393 1.00 67.62 ? ? ? ? ? ? 134 GLU J OE2 1 +ATOM 18940 N N . TYR J 1 136 ? 49.348 100.446 99.422 1.00 23.36 ? ? ? ? ? ? 135 TYR J N 1 +ATOM 18941 C CA . TYR J 1 136 ? 50.449 99.509 99.238 1.00 22.39 ? ? ? ? ? ? 135 TYR J CA 1 +ATOM 18942 C C . TYR J 1 136 ? 51.299 99.943 98.028 1.00 23.14 ? ? ? ? ? ? 135 TYR J C 1 +ATOM 18943 O O . TYR J 1 136 ? 51.246 99.297 96.984 1.00 20.95 ? ? ? ? ? ? 135 TYR J O 1 +ATOM 18944 C CB . TYR J 1 136 ? 49.913 98.086 99.023 1.00 21.06 ? ? ? ? ? ? 135 TYR J CB 1 +ATOM 18945 C CG . TYR J 1 136 ? 49.117 97.501 100.198 1.00 22.17 ? ? ? ? ? ? 135 TYR J CG 1 +ATOM 18946 C CD1 . TYR J 1 136 ? 49.742 96.845 101.261 1.00 22.62 ? ? ? ? ? ? 135 TYR J CD1 1 +ATOM 18947 C CD2 . TYR J 1 136 ? 47.753 97.608 100.229 1.00 23.32 ? ? ? ? ? ? 135 TYR J CD2 1 +ATOM 18948 C CE1 . TYR J 1 136 ? 49.000 96.325 102.318 1.00 26.03 ? ? ? ? ? ? 135 TYR J CE1 1 +ATOM 18949 C CE2 . TYR J 1 136 ? 47.027 97.116 101.266 1.00 23.24 ? ? ? ? ? ? 135 TYR J CE2 1 +ATOM 18950 C CZ . TYR J 1 136 ? 47.635 96.457 102.294 1.00 22.81 ? ? ? ? ? ? 135 TYR J CZ 1 +ATOM 18951 O OH . TYR J 1 136 ? 46.827 95.968 103.288 1.00 23.85 ? ? ? ? ? ? 135 TYR J OH 1 +ATOM 18952 N N . PRO J 1 137 ? 52.080 101.046 98.165 1.00 24.59 ? ? ? ? ? ? 136 PRO J N 1 +ATOM 18953 C CA . PRO J 1 137 ? 52.851 101.600 97.027 1.00 25.79 ? ? ? ? ? ? 136 PRO J CA 1 +ATOM 18954 C C . PRO J 1 137 ? 53.845 100.658 96.362 1.00 25.49 ? ? ? ? ? ? 136 PRO J C 1 +ATOM 18955 O O . PRO J 1 137 ? 54.160 100.860 95.208 1.00 26.80 ? ? ? ? ? ? 136 PRO J O 1 +ATOM 18956 C CB . PRO J 1 137 ? 53.580 102.829 97.622 1.00 26.34 ? ? ? ? ? ? 136 PRO J CB 1 +ATOM 18957 C CG . PRO J 1 137 ? 53.497 102.678 99.088 1.00 27.12 ? ? ? ? ? ? 136 PRO J CG 1 +ATOM 18958 C CD . PRO J 1 137 ? 52.262 101.843 99.387 1.00 25.86 ? ? ? ? ? ? 136 PRO J CD 1 +ATOM 18959 N N . ASP J 1 138 ? 54.279 99.624 97.072 1.00 25.73 ? ? ? ? ? ? 137 ASP J N 1 +ATOM 18960 C CA . ASP J 1 138 ? 55.262 98.657 96.565 1.00 25.83 ? ? ? ? ? ? 137 ASP J CA 1 +ATOM 18961 C C . ASP J 1 138 ? 54.631 97.413 95.967 1.00 24.33 ? ? ? ? ? ? 137 ASP J C 1 +ATOM 18962 O O . ASP J 1 138 ? 55.339 96.489 95.607 1.00 23.43 ? ? ? ? ? ? 137 ASP J O 1 +ATOM 18963 C CB . ASP J 1 138 ? 56.244 98.257 97.677 1.00 26.30 ? ? ? ? ? ? 137 ASP J CB 1 +ATOM 18964 C CG . ASP J 1 138 ? 55.553 97.628 98.908 1.00 33.96 ? ? ? ? ? ? 137 ASP J CG 1 +ATOM 18965 O OD1 . ASP J 1 138 ? 54.330 97.786 99.099 1.00 30.35 ? ? ? ? ? ? 137 ASP J OD1 1 +ATOM 18966 O OD2 . ASP J 1 138 ? 56.266 96.979 99.712 1.00 42.83 ? ? ? ? ? ? 137 ASP J OD2 1 +ATOM 18967 N N . PHE J 1 139 ? 53.297 97.403 95.846 1.00 23.24 ? ? ? ? ? ? 138 PHE J N 1 +ATOM 18968 C CA . PHE J 1 139 ? 52.523 96.245 95.395 1.00 21.36 ? ? ? ? ? ? 138 PHE J CA 1 +ATOM 18969 C C . PHE J 1 139 ? 51.857 96.606 94.057 1.00 21.41 ? ? ? ? ? ? 138 PHE J C 1 +ATOM 18970 O O . PHE J 1 139 ? 50.995 97.482 93.970 1.00 21.94 ? ? ? ? ? ? 138 PHE J O 1 +ATOM 18971 C CB . PHE J 1 139 ? 51.461 95.885 96.470 1.00 23.23 ? ? ? ? ? ? 138 PHE J CB 1 +ATOM 18972 C CG . PHE J 1 139 ? 50.865 94.498 96.338 1.00 21.88 ? ? ? ? ? ? 138 PHE J CG 1 +ATOM 18973 C CD1 . PHE J 1 139 ? 49.841 94.231 95.437 1.00 31.70 ? ? ? ? ? ? 138 PHE J CD1 1 +ATOM 18974 C CD2 . PHE J 1 139 ? 51.284 93.454 97.151 1.00 27.98 ? ? ? ? ? ? 138 PHE J CD2 1 +ATOM 18975 C CE1 . PHE J 1 139 ? 49.272 92.944 95.330 1.00 28.52 ? ? ? ? ? ? 138 PHE J CE1 1 +ATOM 18976 C CE2 . PHE J 1 139 ? 50.711 92.168 97.043 1.00 22.31 ? ? ? ? ? ? 138 PHE J CE2 1 +ATOM 18977 C CZ . PHE J 1 139 ? 49.709 91.926 96.132 1.00 23.37 ? ? ? ? ? ? 138 PHE J CZ 1 +ATOM 18978 N N . LEU J 1 140 ? 52.250 95.896 93.024 1.00 21.68 ? ? ? ? ? ? 139 LEU J N 1 +ATOM 18979 C CA . LEU J 1 140 ? 51.756 96.090 91.692 1.00 21.84 ? ? ? ? ? ? 139 LEU J CA 1 +ATOM 18980 C C . LEU J 1 140 ? 50.492 95.262 91.429 1.00 21.31 ? ? ? ? ? ? 139 LEU J C 1 +ATOM 18981 O O . LEU J 1 140 ? 50.541 94.044 91.448 1.00 22.35 ? ? ? ? ? ? 139 LEU J O 1 +ATOM 18982 C CB . LEU J 1 140 ? 52.848 95.650 90.707 1.00 21.97 ? ? ? ? ? ? 139 LEU J CB 1 +ATOM 18983 C CG . LEU J 1 140 ? 52.585 95.785 89.188 1.00 25.52 ? ? ? ? ? ? 139 LEU J CG 1 +ATOM 18984 C CD1 . LEU J 1 140 ? 52.240 97.196 88.785 1.00 18.98 ? ? ? ? ? ? 139 LEU J CD1 1 +ATOM 18985 C CD2 . LEU J 1 140 ? 53.792 95.292 88.411 1.00 21.18 ? ? ? ? ? ? 139 LEU J CD2 1 +ATOM 18986 N N . ILE J 1 141 ? 49.380 95.923 91.143 1.00 19.76 ? ? ? ? ? ? 140 ILE J N 1 +ATOM 18987 C CA . ILE J 1 141 ? 48.175 95.239 90.727 1.00 19.40 ? ? ? ? ? ? 140 ILE J CA 1 +ATOM 18988 C C . ILE J 1 141 ? 47.823 95.667 89.287 1.00 19.26 ? ? ? ? ? ? 140 ILE J C 1 +ATOM 18989 O O . ILE J 1 141 ? 47.751 96.863 89.004 1.00 19.46 ? ? ? ? ? ? 140 ILE J O 1 +ATOM 18990 C CB . ILE J 1 141 ? 46.952 95.547 91.672 1.00 20.79 ? ? ? ? ? ? 140 ILE J CB 1 +ATOM 18991 C CG1 . ILE J 1 141 ? 47.361 95.453 93.140 1.00 22.40 ? ? ? ? ? ? 140 ILE J CG1 1 +ATOM 18992 C CG2 . ILE J 1 141 ? 45.792 94.589 91.346 1.00 15.96 ? ? ? ? ? ? 140 ILE J CG2 1 +ATOM 18993 C CD1 . ILE J 1 141 ? 46.179 95.603 94.148 1.00 19.88 ? ? ? ? ? ? 140 ILE J CD1 1 +ATOM 18994 N N . ALA J 1 142 ? 47.671 94.679 88.406 1.00 19.19 ? ? ? ? ? ? 141 ALA J N 1 +ATOM 18995 C CA . ALA J 1 142 ? 47.144 94.821 87.053 1.00 18.47 ? ? ? ? ? ? 141 ALA J CA 1 +ATOM 18996 C C . ALA J 1 142 ? 45.789 94.112 86.980 1.00 18.04 ? ? ? ? ? ? 141 ALA J C 1 +ATOM 18997 O O . ALA J 1 142 ? 45.496 93.259 87.796 1.00 18.65 ? ? ? ? ? ? 141 ALA J O 1 +ATOM 18998 C CB . ALA J 1 142 ? 48.094 94.213 86.062 1.00 14.33 ? ? ? ? ? ? 141 ALA J CB 1 +ATOM 18999 N N . ALA J 1 143 ? 44.979 94.473 85.997 1.00 17.71 ? ? ? ? ? ? 142 ALA J N 1 +ATOM 19000 C CA . ALA J 1 143 ? 43.642 93.894 85.780 1.00 17.95 ? ? ? ? ? ? 142 ALA J CA 1 +ATOM 19001 C C . ALA J 1 143 ? 43.358 93.685 84.284 1.00 19.01 ? ? ? ? ? ? 142 ALA J C 1 +ATOM 19002 O O . ALA J 1 143 ? 43.689 94.524 83.453 1.00 19.33 ? ? ? ? ? ? 142 ALA J O 1 +ATOM 19003 C CB . ALA J 1 143 ? 42.570 94.806 86.385 1.00 14.70 ? ? ? ? ? ? 142 ALA J CB 1 +ATOM 19004 N N . ALA J 1 144 ? 42.725 92.563 83.950 1.00 19.84 ? ? ? ? ? ? 143 ALA J N 1 +ATOM 19005 C CA . ALA J 1 144 ? 42.354 92.277 82.574 1.00 20.59 ? ? ? ? ? ? 143 ALA J CA 1 +ATOM 19006 C C . ALA J 1 144 ? 41.110 91.407 82.536 1.00 20.74 ? ? ? ? ? ? 143 ALA J C 1 +ATOM 19007 O O . ALA J 1 144 ? 40.932 90.565 83.411 1.00 19.56 ? ? ? ? ? ? 143 ALA J O 1 +ATOM 19008 C CB . ALA J 1 144 ? 43.529 91.575 81.855 1.00 20.20 ? ? ? ? ? ? 143 ALA J CB 1 +ATOM 19009 N N . ASN J 1 145 ? 40.239 91.633 81.544 1.00 20.95 ? ? ? ? ? ? 144 ASN J N 1 +ATOM 19010 C CA . ASN J 1 145 ? 39.262 90.621 81.133 1.00 21.50 ? ? ? ? ? ? 144 ASN J CA 1 +ATOM 19011 C C . ASN J 1 145 ? 39.912 89.633 80.168 1.00 21.39 ? ? ? ? ? ? 144 ASN J C 1 +ATOM 19012 O O . ASN J 1 145 ? 40.559 90.037 79.186 1.00 21.71 ? ? ? ? ? ? 144 ASN J O 1 +ATOM 19013 C CB . ASN J 1 145 ? 38.050 91.268 80.479 1.00 23.03 ? ? ? ? ? ? 144 ASN J CB 1 +ATOM 19014 C CG . ASN J 1 145 ? 37.241 92.121 81.456 1.00 26.14 ? ? ? ? ? ? 144 ASN J CG 1 +ATOM 19015 O OD1 . ASN J 1 145 ? 36.886 91.686 82.553 1.00 26.87 ? ? ? ? ? ? 144 ASN J OD1 1 +ATOM 19016 N ND2 . ASN J 1 145 ? 36.946 93.322 81.056 1.00 20.31 ? ? ? ? ? ? 144 ASN J ND2 1 +ATOM 19017 N N . TRP J 1 146 ? 39.766 88.343 80.412 1.00 19.49 ? ? ? ? ? ? 145 TRP J N 1 +ATOM 19018 C CA . TRP J 1 146 ? 40.431 87.389 79.530 1.00 20.55 ? ? ? ? ? ? 145 TRP J CA 1 +ATOM 19019 C C . TRP J 1 146 ? 39.963 87.502 78.082 1.00 20.60 ? ? ? ? ? ? 145 TRP J C 1 +ATOM 19020 O O . TRP J 1 146 ? 40.722 87.158 77.166 1.00 20.83 ? ? ? ? ? ? 145 TRP J O 1 +ATOM 19021 C CB . TRP J 1 146 ? 40.264 85.941 80.023 1.00 18.95 ? ? ? ? ? ? 145 TRP J CB 1 +ATOM 19022 C CG . TRP J 1 146 ? 38.868 85.388 79.862 1.00 18.33 ? ? ? ? ? ? 145 TRP J CG 1 +ATOM 19023 C CD1 . TRP J 1 146 ? 37.899 85.355 80.809 1.00 21.23 ? ? ? ? ? ? 145 TRP J CD1 1 +ATOM 19024 C CD2 . TRP J 1 146 ? 38.297 84.774 78.687 1.00 22.17 ? ? ? ? ? ? 145 TRP J CD2 1 +ATOM 19025 N NE1 . TRP J 1 146 ? 36.760 84.769 80.311 1.00 22.01 ? ? ? ? ? ? 145 TRP J NE1 1 +ATOM 19026 C CE2 . TRP J 1 146 ? 36.972 84.426 79.003 1.00 18.56 ? ? ? ? ? ? 145 TRP J CE2 1 +ATOM 19027 C CE3 . TRP J 1 146 ? 38.770 84.524 77.384 1.00 18.62 ? ? ? ? ? ? 145 TRP J CE3 1 +ATOM 19028 C CZ2 . TRP J 1 146 ? 36.128 83.814 78.081 1.00 22.16 ? ? ? ? ? ? 145 TRP J CZ2 1 +ATOM 19029 C CZ3 . TRP J 1 146 ? 37.944 83.918 76.489 1.00 19.24 ? ? ? ? ? ? 145 TRP J CZ3 1 +ATOM 19030 C CH2 . TRP J 1 146 ? 36.640 83.565 76.829 1.00 21.23 ? ? ? ? ? ? 145 TRP J CH2 1 +ATOM 19031 N N . PHE J 1 147 ? 38.691 87.889 77.895 1.00 21.30 ? ? ? ? ? ? 146 PHE J N 1 +ATOM 19032 C CA . PHE J 1 147 ? 38.064 87.950 76.569 1.00 21.22 ? ? ? ? ? ? 146 PHE J CA 1 +ATOM 19033 C C . PHE J 1 147 ? 38.367 89.266 75.816 1.00 21.90 ? ? ? ? ? ? 146 PHE J C 1 +ATOM 19034 O O . PHE J 1 147 ? 37.889 89.469 74.707 1.00 23.84 ? ? ? ? ? ? 146 PHE J O 1 +ATOM 19035 C CB . PHE J 1 147 ? 36.563 87.742 76.680 1.00 22.20 ? ? ? ? ? ? 146 PHE J CB 1 +ATOM 19036 C CG . PHE J 1 147 ? 35.910 88.647 77.674 1.00 22.15 ? ? ? ? ? ? 146 PHE J CG 1 +ATOM 19037 C CD1 . PHE J 1 147 ? 35.609 89.952 77.344 1.00 22.08 ? ? ? ? ? ? 146 PHE J CD1 1 +ATOM 19038 C CD2 . PHE J 1 147 ? 35.629 88.198 78.955 1.00 24.80 ? ? ? ? ? ? 146 PHE J CD2 1 +ATOM 19039 C CE1 . PHE J 1 147 ? 35.026 90.792 78.258 1.00 26.66 ? ? ? ? ? ? 146 PHE J CE1 1 +ATOM 19040 C CE2 . PHE J 1 147 ? 35.040 89.027 79.868 1.00 24.98 ? ? ? ? ? ? 146 PHE J CE2 1 +ATOM 19041 C CZ . PHE J 1 147 ? 34.738 90.332 79.523 1.00 28.00 ? ? ? ? ? ? 146 PHE J CZ 1 +ATOM 19042 N N . GLU J 1 148 ? 39.145 90.159 76.425 1.00 21.55 ? ? ? ? ? ? 147 GLU J N 1 +ATOM 19043 C CA . GLU J 1 148 ? 39.655 91.330 75.737 1.00 21.42 ? ? ? ? ? ? 147 GLU J CA 1 +ATOM 19044 C C . GLU J 1 148 ? 41.134 91.223 75.417 1.00 22.09 ? ? ? ? ? ? 147 GLU J C 1 +ATOM 19045 O O . GLU J 1 148 ? 41.672 92.114 74.798 1.00 24.13 ? ? ? ? ? ? 147 GLU J O 1 +ATOM 19046 C CB . GLU J 1 148 ? 39.419 92.560 76.565 1.00 20.85 ? ? ? ? ? ? 147 GLU J CB 1 +ATOM 19047 C CG . GLU J 1 148 ? 37.959 92.842 76.682 1.00 23.95 ? ? ? ? ? ? 147 GLU J CG 1 +ATOM 19048 C CD . GLU J 1 148 ? 37.595 93.939 77.646 1.00 26.64 ? ? ? ? ? ? 147 GLU J CD 1 +ATOM 19049 O OE1 . GLU J 1 148 ? 38.409 94.311 78.547 1.00 29.35 ? ? ? ? ? ? 147 GLU J OE1 1 +ATOM 19050 O OE2 . GLU J 1 148 ? 36.440 94.385 77.519 1.00 32.37 ? ? ? ? ? ? 147 GLU J OE2 1 +ATOM 19051 N N . VAL J 1 149 ? 41.808 90.166 75.859 1.00 23.23 ? ? ? ? ? ? 148 VAL J N 1 +ATOM 19052 C CA . VAL J 1 149 ? 43.253 90.007 75.563 1.00 22.54 ? ? ? ? ? ? 148 VAL J CA 1 +ATOM 19053 C C . VAL J 1 149 ? 43.465 89.846 74.047 1.00 23.79 ? ? ? ? ? ? 148 VAL J C 1 +ATOM 19054 O O . VAL J 1 149 ? 44.403 90.404 73.485 1.00 23.43 ? ? ? ? ? ? 148 VAL J O 1 +ATOM 19055 C CB . VAL J 1 149 ? 43.861 88.829 76.348 1.00 24.27 ? ? ? ? ? ? 148 VAL J CB 1 +ATOM 19056 C CG1 . VAL J 1 149 ? 45.209 88.360 75.739 1.00 17.77 ? ? ? ? ? ? 148 VAL J CG1 1 +ATOM 19057 C CG2 . VAL J 1 149 ? 43.952 89.211 77.819 1.00 17.41 ? ? ? ? ? ? 148 VAL J CG2 1 +ATOM 19058 N N . VAL J 1 150 ? 42.576 89.119 73.387 1.00 23.70 ? ? ? ? ? ? 149 VAL J N 1 +ATOM 19059 C CA . VAL J 1 150 ? 42.586 89.009 71.918 1.00 23.19 ? ? ? ? ? ? 149 VAL J CA 1 +ATOM 19060 C C . VAL J 1 150 ? 41.164 89.245 71.460 1.00 24.16 ? ? ? ? ? ? 149 VAL J C 1 +ATOM 19061 O O . VAL J 1 150 ? 40.237 88.678 72.024 1.00 23.95 ? ? ? ? ? ? 149 VAL J O 1 +ATOM 19062 C CB . VAL J 1 150 ? 43.133 87.617 71.456 1.00 24.49 ? ? ? ? ? ? 149 VAL J CB 1 +ATOM 19063 C CG1 . VAL J 1 150 ? 42.845 87.365 69.962 1.00 25.00 ? ? ? ? ? ? 149 VAL J CG1 1 +ATOM 19064 C CG2 . VAL J 1 150 ? 44.664 87.520 71.778 1.00 20.54 ? ? ? ? ? ? 149 VAL J CG2 1 +ATOM 19065 N N . SER J 1 151 ? 40.989 90.105 70.465 1.00 26.67 ? ? ? ? ? ? 150 SER J N 1 +ATOM 19066 C CA . SER J 1 151 ? 39.653 90.383 69.937 1.00 29.52 ? ? ? ? ? ? 150 SER J CA 1 +ATOM 19067 C C . SER J 1 151 ? 39.045 89.120 69.348 1.00 29.65 ? ? ? ? ? ? 150 SER J C 1 +ATOM 19068 O O . SER J 1 151 ? 39.725 88.379 68.641 1.00 29.30 ? ? ? ? ? ? 150 SER J O 1 +ATOM 19069 C CB . SER J 1 151 ? 39.714 91.448 68.838 1.00 31.30 ? ? ? ? ? ? 150 SER J CB 1 +ATOM 19070 O OG . SER J 1 151 ? 38.523 91.437 68.078 1.00 36.93 ? ? ? ? ? ? 150 SER J OG 1 +ATOM 19071 N N . PRO J 1 152 ? 37.761 88.878 69.642 1.00 31.72 ? ? ? ? ? ? 151 PRO J N 1 +ATOM 19072 C CA . PRO J 1 152 ? 37.071 87.744 69.045 1.00 32.64 ? ? ? ? ? ? 151 PRO J CA 1 +ATOM 19073 C C . PRO J 1 152 ? 36.775 87.865 67.553 1.00 34.36 ? ? ? ? ? ? 151 PRO J C 1 +ATOM 19074 O O . PRO J 1 152 ? 36.560 86.836 66.908 1.00 34.77 ? ? ? ? ? ? 151 PRO J O 1 +ATOM 19075 C CB . PRO J 1 152 ? 35.792 87.639 69.866 1.00 32.73 ? ? ? ? ? ? 151 PRO J CB 1 +ATOM 19076 C CG . PRO J 1 152 ? 35.576 88.980 70.430 1.00 33.11 ? ? ? ? ? ? 151 PRO J CG 1 +ATOM 19077 C CD . PRO J 1 152 ? 36.899 89.627 70.574 1.00 33.08 ? ? ? ? ? ? 151 PRO J CD 1 +ATOM 19078 N N . LYS J 1 153 ? 36.778 89.066 66.971 1.00 35.80 ? ? ? ? ? ? 152 LYS J N 1 +ATOM 19079 C CA . LYS J 1 153 ? 36.518 89.169 65.521 1.00 36.66 ? ? ? ? ? ? 152 LYS J CA 1 +ATOM 19080 C C . LYS J 1 153 ? 37.486 88.252 64.772 1.00 35.80 ? ? ? ? ? ? 152 LYS J C 1 +ATOM 19081 O O . LYS J 1 153 ? 38.665 88.200 65.062 1.00 38.45 ? ? ? ? ? ? 152 LYS J O 1 +ATOM 19082 C CB . LYS J 1 153 ? 36.623 90.619 65.016 1.00 37.70 ? ? ? ? ? ? 152 LYS J CB 1 +ATOM 19083 N N . GLY J 1 154 ? 36.974 87.488 63.826 1.00 36.56 ? ? ? ? ? ? 153 GLY J N 1 +ATOM 19084 C CA . GLY J 1 154 ? 37.803 86.525 63.109 1.00 34.52 ? ? ? ? ? ? 153 GLY J CA 1 +ATOM 19085 C C . GLY J 1 154 ? 37.807 85.144 63.744 1.00 34.22 ? ? ? ? ? ? 153 GLY J C 1 +ATOM 19086 O O . GLY J 1 154 ? 38.169 84.149 63.073 1.00 33.50 ? ? ? ? ? ? 153 GLY J O 1 +ATOM 19087 N N . TYR J 1 155 ? 37.405 85.044 65.026 1.00 29.13 ? ? ? ? ? ? 154 TYR J N 1 +ATOM 19088 C CA . TYR J 1 155 ? 37.374 83.728 65.680 1.00 26.44 ? ? ? ? ? ? 154 TYR J CA 1 +ATOM 19089 C C . TYR J 1 155 ? 35.997 83.131 65.726 1.00 25.18 ? ? ? ? ? ? 154 TYR J C 1 +ATOM 19090 O O . TYR J 1 155 ? 35.857 81.892 65.729 1.00 26.45 ? ? ? ? ? ? 154 TYR J O 1 +ATOM 19091 C CB . TYR J 1 155 ? 38.001 83.797 67.064 1.00 27.52 ? ? ? ? ? ? 154 TYR J CB 1 +ATOM 19092 C CG . TYR J 1 155 ? 39.484 84.065 67.005 1.00 22.11 ? ? ? ? ? ? 154 TYR J CG 1 +ATOM 19093 C CD1 . TYR J 1 155 ? 40.410 83.021 66.982 1.00 22.60 ? ? ? ? ? ? 154 TYR J CD1 1 +ATOM 19094 C CD2 . TYR J 1 155 ? 39.966 85.371 66.991 1.00 24.47 ? ? ? ? ? ? 154 TYR J CD2 1 +ATOM 19095 C CE1 . TYR J 1 155 ? 41.777 83.272 66.937 1.00 22.54 ? ? ? ? ? ? 154 TYR J CE1 1 +ATOM 19096 C CE2 . TYR J 1 155 ? 41.328 85.633 66.958 1.00 23.89 ? ? ? ? ? ? 154 TYR J CE2 1 +ATOM 19097 C CZ . TYR J 1 155 ? 42.229 84.585 66.943 1.00 23.43 ? ? ? ? ? ? 154 TYR J CZ 1 +ATOM 19098 O OH . TYR J 1 155 ? 43.570 84.884 66.871 1.00 24.95 ? ? ? ? ? ? 154 TYR J OH 1 +ATOM 19099 N N . PHE J 1 156 ? 34.981 84.005 65.718 1.00 25.42 ? ? ? ? ? ? 155 PHE J N 1 +ATOM 19100 C CA . PHE J 1 156 ? 33.581 83.610 65.841 1.00 26.82 ? ? ? ? ? ? 155 PHE J CA 1 +ATOM 19101 C C . PHE J 1 156 ? 32.680 84.347 64.817 1.00 29.36 ? ? ? ? ? ? 155 PHE J C 1 +ATOM 19102 O O . PHE J 1 156 ? 33.033 85.421 64.358 1.00 30.96 ? ? ? ? ? ? 155 PHE J O 1 +ATOM 19103 C CB . PHE J 1 156 ? 33.116 83.882 67.285 1.00 27.93 ? ? ? ? ? ? 155 PHE J CB 1 +ATOM 19104 C CG . PHE J 1 156 ? 34.036 83.294 68.318 1.00 23.11 ? ? ? ? ? ? 155 PHE J CG 1 +ATOM 19105 C CD1 . PHE J 1 156 ? 34.010 81.952 68.581 1.00 18.22 ? ? ? ? ? ? 155 PHE J CD1 1 +ATOM 19106 C CD2 . PHE J 1 156 ? 34.977 84.079 68.958 1.00 27.19 ? ? ? ? ? ? 155 PHE J CD2 1 +ATOM 19107 C CE1 . PHE J 1 156 ? 34.877 81.386 69.504 1.00 22.07 ? ? ? ? ? ? 155 PHE J CE1 1 +ATOM 19108 C CE2 . PHE J 1 156 ? 35.868 83.515 69.877 1.00 23.34 ? ? ? ? ? ? 155 PHE J CE2 1 +ATOM 19109 C CZ . PHE J 1 156 ? 35.807 82.170 70.141 1.00 23.37 ? ? ? ? ? ? 155 PHE J CZ 1 +ATOM 19110 N N . GLU J 1 157 ? 31.533 83.737 64.493 1.00 31.60 ? ? ? ? ? ? 156 GLU J N 1 +ATOM 19111 C CA . GLU J 1 157 ? 30.561 84.228 63.490 1.00 32.84 ? ? ? ? ? ? 156 GLU J CA 1 +ATOM 19112 C C . GLU J 1 157 ? 29.469 85.149 63.980 1.00 33.82 ? ? ? ? ? ? 156 GLU J C 1 +ATOM 19113 O O . GLU J 1 157 ? 29.002 85.989 63.230 1.00 34.63 ? ? ? ? ? ? 156 GLU J O 1 +ATOM 19114 C CB . GLU J 1 157 ? 29.731 83.087 62.924 1.00 30.20 ? ? ? ? ? ? 156 GLU J CB 1 +ATOM 19115 C CG . GLU J 1 157 ? 30.432 81.987 62.317 1.00 37.40 ? ? ? ? ? ? 156 GLU J CG 1 +ATOM 19116 C CD . GLU J 1 157 ? 29.492 81.116 61.524 1.00 31.79 ? ? ? ? ? ? 156 GLU J CD 1 +ATOM 19117 O OE1 . GLU J 1 157 ? 28.285 81.473 61.376 1.00 34.42 ? ? ? ? ? ? 156 GLU J OE1 1 +ATOM 19118 O OE2 . GLU J 1 157 ? 29.973 80.074 61.059 1.00 40.34 ? ? ? ? ? ? 156 GLU J OE2 1 +ATOM 19119 N N . ALA J 1 158 ? 28.959 84.877 65.170 1.00 34.78 ? ? ? ? ? ? 157 ALA J N 1 +ATOM 19120 C CA . ALA J 1 158 ? 27.792 85.580 65.683 1.00 34.67 ? ? ? ? ? ? 157 ALA J CA 1 +ATOM 19121 C C . ALA J 1 158 ? 27.962 87.088 65.681 1.00 35.45 ? ? ? ? ? ? 157 ALA J C 1 +ATOM 19122 O O . ALA J 1 158 ? 29.017 87.613 65.960 1.00 35.31 ? ? ? ? ? ? 157 ALA J O 1 +ATOM 19123 C CB . ALA J 1 158 ? 27.405 85.079 67.100 1.00 34.05 ? ? ? ? ? ? 157 ALA J CB 1 +ATOM 19124 N N . GLU J 1 159 ? 26.882 87.763 65.331 1.00 37.44 ? ? ? ? ? ? 158 GLU J N 1 +ATOM 19125 C CA . GLU J 1 159 ? 26.796 89.225 65.307 1.00 40.86 ? ? ? ? ? ? 158 GLU J CA 1 +ATOM 19126 C C . GLU J 1 159 ? 26.918 89.869 66.672 1.00 37.94 ? ? ? ? ? ? 158 GLU J C 1 +ATOM 19127 O O . GLU J 1 159 ? 27.699 90.804 66.895 1.00 38.50 ? ? ? ? ? ? 158 GLU J O 1 +ATOM 19128 C CB . GLU J 1 159 ? 25.391 89.587 64.771 1.00 43.47 ? ? ? ? ? ? 158 GLU J CB 1 +ATOM 19129 C CG . GLU J 1 159 ? 25.262 89.776 63.257 1.00 51.62 ? ? ? ? ? ? 158 GLU J CG 1 +ATOM 19130 C CD . GLU J 1 159 ? 24.958 91.218 62.914 1.00 60.14 ? ? ? ? ? ? 158 GLU J CD 1 +ATOM 19131 O OE1 . GLU J 1 159 ? 23.787 91.629 63.071 1.00 75.56 ? ? ? ? ? ? 158 GLU J OE1 1 +ATOM 19132 O OE2 . GLU J 1 159 ? 25.884 91.954 62.518 1.00 61.63 ? ? ? ? ? ? 158 GLU J OE2 1 +ATOM 19133 N N . ILE J 1 160 ? 26.074 89.380 67.567 1.00 35.39 ? ? ? ? ? ? 159 ILE J N 1 +ATOM 19134 C CA . ILE J 1 160 ? 26.083 89.768 68.977 1.00 34.04 ? ? ? ? ? ? 159 ILE J CA 1 +ATOM 19135 C C . ILE J 1 160 ? 26.635 88.619 69.814 1.00 32.64 ? ? ? ? ? ? 159 ILE J C 1 +ATOM 19136 O O . ILE J 1 160 ? 26.255 87.451 69.626 1.00 30.71 ? ? ? ? ? ? 159 ILE J O 1 +ATOM 19137 C CB . ILE J 1 160 ? 24.673 90.174 69.499 1.00 33.99 ? ? ? ? ? ? 159 ILE J CB 1 +ATOM 19138 C CG1 . ILE J 1 160 ? 24.155 91.396 68.735 1.00 32.74 ? ? ? ? ? ? 159 ILE J CG1 1 +ATOM 19139 C CG2 . ILE J 1 160 ? 24.721 90.514 71.023 1.00 29.95 ? ? ? ? ? ? 159 ILE J CG2 1 +ATOM 19140 C CD1 . ILE J 1 160 ? 22.689 91.518 68.750 1.00 35.41 ? ? ? ? ? ? 159 ILE J CD1 1 +ATOM 19141 N N . ASP J 1 161 ? 27.555 88.963 70.712 1.00 30.95 ? ? ? ? ? ? 160 ASP J N 1 +ATOM 19142 C CA . ASP J 1 161 ? 28.250 87.985 71.528 1.00 32.51 ? ? ? ? ? ? 160 ASP J CA 1 +ATOM 19143 C C . ASP J 1 161 ? 28.684 88.643 72.839 1.00 31.98 ? ? ? ? ? ? 160 ASP J C 1 +ATOM 19144 O O . ASP J 1 161 ? 29.859 88.834 73.093 1.00 32.65 ? ? ? ? ? ? 160 ASP J O 1 +ATOM 19145 C CB . ASP J 1 161 ? 29.449 87.432 70.752 1.00 32.25 ? ? ? ? ? ? 160 ASP J CB 1 +ATOM 19146 C CG . ASP J 1 161 ? 30.087 86.229 71.420 1.00 38.00 ? ? ? ? ? ? 160 ASP J CG 1 +ATOM 19147 O OD1 . ASP J 1 161 ? 29.704 85.892 72.560 1.00 37.36 ? ? ? ? ? ? 160 ASP J OD1 1 +ATOM 19148 O OD2 . ASP J 1 161 ? 31.000 85.631 70.796 1.00 42.58 ? ? ? ? ? ? 160 ASP J OD2 1 +ATOM 19149 N N . ASP J 1 162 ? 27.717 89.020 73.660 1.00 31.29 ? ? ? ? ? ? 161 ASP J N 1 +ATOM 19150 C CA . ASP J 1 162 ? 28.012 89.786 74.870 1.00 30.58 ? ? ? ? ? ? 161 ASP J CA 1 +ATOM 19151 C C . ASP J 1 162 ? 28.046 88.924 76.114 1.00 29.38 ? ? ? ? ? ? 161 ASP J C 1 +ATOM 19152 O O . ASP J 1 162 ? 28.825 89.174 77.020 1.00 30.20 ? ? ? ? ? ? 161 ASP J O 1 +ATOM 19153 C CB . ASP J 1 162 ? 27.000 90.933 75.063 1.00 32.54 ? ? ? ? ? ? 161 ASP J CB 1 +ATOM 19154 C CG . ASP J 1 162 ? 27.242 92.114 74.109 1.00 36.01 ? ? ? ? ? ? 161 ASP J CG 1 +ATOM 19155 O OD1 . ASP J 1 162 ? 28.304 92.152 73.438 1.00 42.87 ? ? ? ? ? ? 161 ASP J OD1 1 +ATOM 19156 O OD2 . ASP J 1 162 ? 26.361 93.010 74.051 1.00 43.23 ? ? ? ? ? ? 161 ASP J OD2 1 +ATOM 19157 N N . HIS J 1 163 ? 27.213 87.898 76.163 1.00 26.18 ? ? ? ? ? ? 162 HIS J N 1 +ATOM 19158 C CA . HIS J 1 163 ? 27.142 87.097 77.356 1.00 23.92 ? ? ? ? ? ? 162 HIS J CA 1 +ATOM 19159 C C . HIS J 1 163 ? 26.583 85.719 77.042 1.00 22.19 ? ? ? ? ? ? 162 HIS J C 1 +ATOM 19160 O O . HIS J 1 163 ? 25.517 85.607 76.475 1.00 20.75 ? ? ? ? ? ? 162 HIS J O 1 +ATOM 19161 C CB . HIS J 1 163 ? 26.319 87.843 78.435 1.00 23.95 ? ? ? ? ? ? 162 HIS J CB 1 +ATOM 19162 C CG . HIS J 1 163 ? 25.891 86.972 79.583 1.00 22.90 ? ? ? ? ? ? 162 HIS J CG 1 +ATOM 19163 N ND1 . HIS J 1 163 ? 26.762 86.521 80.545 1.00 22.73 ? ? ? ? ? ? 162 HIS J ND1 1 +ATOM 19164 C CD2 . HIS J 1 163 ? 24.683 86.465 79.907 1.00 20.80 ? ? ? ? ? ? 162 HIS J CD2 1 +ATOM 19165 C CE1 . HIS J 1 163 ? 26.102 85.781 81.420 1.00 26.33 ? ? ? ? ? ? 162 HIS J CE1 1 +ATOM 19166 N NE2 . HIS J 1 163 ? 24.840 85.722 81.049 1.00 17.67 ? ? ? ? ? ? 162 HIS J NE2 1 +ATOM 19167 N N . ALA J 1 164 ? 27.335 84.684 77.410 1.00 20.96 ? ? ? ? ? ? 163 ALA J N 1 +ATOM 19168 C CA . ALA J 1 164 ? 26.929 83.281 77.222 1.00 21.55 ? ? ? ? ? ? 163 ALA J CA 1 +ATOM 19169 C C . ALA J 1 164 ? 26.777 82.963 75.725 1.00 23.46 ? ? ? ? ? ? 163 ALA J C 1 +ATOM 19170 O O . ALA J 1 164 ? 25.994 82.086 75.351 1.00 23.71 ? ? ? ? ? ? 163 ALA J O 1 +ATOM 19171 C CB . ALA J 1 164 ? 25.656 83.008 77.984 1.00 17.98 ? ? ? ? ? ? 163 ALA J CB 1 +ATOM 19172 N N . GLY J 1 165 ? 27.521 83.701 74.886 1.00 23.63 ? ? ? ? ? ? 164 GLY J N 1 +ATOM 19173 C CA . GLY J 1 165 ? 27.403 83.599 73.437 1.00 24.07 ? ? ? ? ? ? 164 GLY J CA 1 +ATOM 19174 C C . GLY J 1 165 ? 28.372 82.595 72.833 1.00 23.45 ? ? ? ? ? ? 164 GLY J C 1 +ATOM 19175 O O . GLY J 1 165 ? 28.728 81.590 73.461 1.00 23.57 ? ? ? ? ? ? 164 GLY J O 1 +ATOM 19176 N N . GLU J 1 166 ? 28.782 82.852 71.597 1.00 22.84 ? ? ? ? ? ? 165 GLU J N 1 +ATOM 19177 C CA . GLU J 1 166 ? 29.595 81.902 70.844 1.00 22.81 ? ? ? ? ? ? 165 GLU J CA 1 +ATOM 19178 C C . GLU J 1 166 ? 31.011 81.762 71.444 1.00 22.44 ? ? ? ? ? ? 165 GLU J C 1 +ATOM 19179 O O . GLU J 1 166 ? 31.518 80.649 71.588 1.00 22.89 ? ? ? ? ? ? 165 GLU J O 1 +ATOM 19180 C CB . GLU J 1 166 ? 29.646 82.305 69.355 1.00 22.91 ? ? ? ? ? ? 165 GLU J CB 1 +ATOM 19181 C CG . GLU J 1 166 ? 29.975 81.186 68.366 1.00 24.21 ? ? ? ? ? ? 165 GLU J CG 1 +ATOM 19182 C CD . GLU J 1 166 ? 30.058 81.712 66.920 1.00 24.37 ? ? ? ? ? ? 165 GLU J CD 1 +ATOM 19183 O OE1 . GLU J 1 166 ? 29.085 82.341 66.476 1.00 22.98 ? ? ? ? ? ? 165 GLU J OE1 1 +ATOM 19184 O OE2 . GLU J 1 166 ? 31.097 81.511 66.240 1.00 22.95 ? ? ? ? ? ? 165 GLU J OE2 1 +ATOM 19185 N N . SER J 1 167 ? 31.645 82.877 71.804 1.00 22.64 ? ? ? ? ? ? 166 SER J N 1 +ATOM 19186 C CA . SER J 1 167 ? 32.995 82.813 72.363 1.00 23.09 ? ? ? ? ? ? 166 SER J CA 1 +ATOM 19187 C C . SER J 1 167 ? 33.063 82.071 73.721 1.00 23.09 ? ? ? ? ? ? 166 SER J C 1 +ATOM 19188 O O . SER J 1 167 ? 33.913 81.194 73.915 1.00 24.83 ? ? ? ? ? ? 166 SER J O 1 +ATOM 19189 C CB . SER J 1 167 ? 33.618 84.201 72.466 1.00 22.54 ? ? ? ? ? ? 166 SER J CB 1 +ATOM 19190 O OG . SER J 1 167 ? 32.878 85.058 73.283 1.00 27.69 ? ? ? ? ? ? 166 SER J OG 1 +ATOM 19191 N N . GLU J 1 168 ? 32.158 82.407 74.643 1.00 23.77 ? ? ? ? ? ? 167 GLU J N 1 +ATOM 19192 C CA . GLU J 1 168 ? 32.127 81.771 75.946 1.00 22.95 ? ? ? ? ? ? 167 GLU J CA 1 +ATOM 19193 C C . GLU J 1 168 ? 31.772 80.305 75.793 1.00 21.22 ? ? ? ? ? ? 167 GLU J C 1 +ATOM 19194 O O . GLU J 1 168 ? 32.317 79.436 76.494 1.00 20.80 ? ? ? ? ? ? 167 GLU J O 1 +ATOM 19195 C CB . GLU J 1 168 ? 31.119 82.459 76.907 1.00 22.45 ? ? ? ? ? ? 167 GLU J CB 1 +ATOM 19196 C CG . GLU J 1 168 ? 31.753 83.450 77.814 1.00 24.04 ? ? ? ? ? ? 167 GLU J CG 1 +ATOM 19197 C CD . GLU J 1 168 ? 30.838 83.975 78.896 1.00 26.60 ? ? ? ? ? ? 167 GLU J CD 1 +ATOM 19198 O OE1 . GLU J 1 168 ? 29.600 84.148 78.676 1.00 19.71 ? ? ? ? ? ? 167 GLU J OE1 1 +ATOM 19199 O OE2 . GLU J 1 168 ? 31.387 84.249 79.981 1.00 20.16 ? ? ? ? ? ? 167 GLU J OE2 1 +ATOM 19200 N N . THR J 1 169 ? 30.809 80.038 74.916 1.00 20.58 ? ? ? ? ? ? 168 THR J N 1 +ATOM 19201 C CA . THR J 1 169 ? 30.328 78.684 74.697 1.00 20.02 ? ? ? ? ? ? 168 THR J CA 1 +ATOM 19202 C C . THR J 1 169 ? 31.437 77.820 74.093 1.00 20.79 ? ? ? ? ? ? 168 THR J C 1 +ATOM 19203 O O . THR J 1 169 ? 31.632 76.670 74.516 1.00 22.34 ? ? ? ? ? ? 168 THR J O 1 +ATOM 19204 C CB . THR J 1 169 ? 29.060 78.663 73.830 1.00 19.15 ? ? ? ? ? ? 168 THR J CB 1 +ATOM 19205 O OG1 . THR J 1 169 ? 28.047 79.447 74.466 1.00 19.45 ? ? ? ? ? ? 168 THR J OG1 1 +ATOM 19206 C CG2 . THR J 1 169 ? 28.531 77.244 73.655 1.00 17.77 ? ? ? ? ? ? 168 THR J CG2 1 +ATOM 19207 N N . SER J 1 170 ? 32.201 78.393 73.159 1.00 20.92 ? ? ? ? ? ? 169 SER J N 1 +ATOM 19208 C CA . SER J 1 170 ? 33.245 77.654 72.455 1.00 20.43 ? ? ? ? ? ? 169 SER J CA 1 +ATOM 19209 C C . SER J 1 170 ? 34.418 77.317 73.384 1.00 21.08 ? ? ? ? ? ? 169 SER J C 1 +ATOM 19210 O O . SER J 1 170 ? 34.980 76.229 73.334 1.00 21.15 ? ? ? ? ? ? 169 SER J O 1 +ATOM 19211 C CB . SER J 1 170 ? 33.733 78.472 71.238 1.00 20.01 ? ? ? ? ? ? 169 SER J CB 1 +ATOM 19212 O OG . SER J 1 170 ? 32.745 78.610 70.198 1.00 18.14 ? ? ? ? ? ? 169 SER J OG 1 +ATOM 19213 N N . VAL J 1 171 ? 34.819 78.273 74.202 1.00 21.55 ? ? ? ? ? ? 170 VAL J N 1 +ATOM 19214 C CA . VAL J 1 171 ? 35.913 78.074 75.146 1.00 20.00 ? ? ? ? ? ? 170 VAL J CA 1 +ATOM 19215 C C . VAL J 1 171 ? 35.509 77.063 76.232 1.00 20.62 ? ? ? ? ? ? 170 VAL J C 1 +ATOM 19216 O O . VAL J 1 171 ? 36.330 76.230 76.634 1.00 22.87 ? ? ? ? ? ? 170 VAL J O 1 +ATOM 19217 C CB . VAL J 1 171 ? 36.408 79.431 75.737 1.00 21.58 ? ? ? ? ? ? 170 VAL J CB 1 +ATOM 19218 C CG1 . VAL J 1 171 ? 37.540 79.181 76.687 1.00 18.39 ? ? ? ? ? ? 170 VAL J CG1 1 +ATOM 19219 C CG2 . VAL J 1 171 ? 36.842 80.409 74.589 1.00 14.86 ? ? ? ? ? ? 170 VAL J CG2 1 +ATOM 19220 N N . MSE J 1 172 ? 34.254 77.081 76.681 1.00 20.12 ? ? ? ? ? ? 171 MSE J N 1 +ATOM 19221 C CA . MSE J 1 172 ? 33.780 76.083 77.651 1.00 20.26 ? ? ? ? ? ? 171 MSE J CA 1 +ATOM 19222 C C . MSE J 1 172 ? 33.733 74.700 77.024 1.00 21.33 ? ? ? ? ? ? 171 MSE J C 1 +ATOM 19223 O O . MSE J 1 172 ? 34.028 73.719 77.665 1.00 21.29 ? ? ? ? ? ? 171 MSE J O 1 +ATOM 19224 C CB . MSE J 1 172 ? 32.382 76.451 78.211 1.00 20.21 ? ? ? ? ? ? 171 MSE J CB 1 +ATOM 19225 C CG . MSE J 1 172 ? 31.896 75.537 79.331 1.00 21.59 ? ? ? ? ? ? 171 MSE J CG 1 +ATOM 19226 SE SE . MSE J 1 172 ? 33.074 75.622 80.978 0.75 19.35 ? ? ? ? ? ? 171 MSE J SE 1 +ATOM 19227 C CE . MSE J 1 172 ? 32.405 77.389 81.691 1.00 15.41 ? ? ? ? ? ? 171 MSE J CE 1 +ATOM 19228 N N . MSE J 1 173 ? 33.305 74.610 75.764 1.00 22.12 ? ? ? ? ? ? 172 MSE J N 1 +ATOM 19229 C CA . MSE J 1 173 ? 33.290 73.321 75.065 1.00 21.74 ? ? ? ? ? ? 172 MSE J CA 1 +ATOM 19230 C C . MSE J 1 173 ? 34.661 72.716 74.923 1.00 22.07 ? ? ? ? ? ? 172 MSE J C 1 +ATOM 19231 O O . MSE J 1 173 ? 34.786 71.492 74.930 1.00 23.72 ? ? ? ? ? ? 172 MSE J O 1 +ATOM 19232 C CB . MSE J 1 173 ? 32.677 73.481 73.683 1.00 21.51 ? ? ? ? ? ? 172 MSE J CB 1 +ATOM 19233 C CG . MSE J 1 173 ? 31.170 73.683 73.737 1.00 24.24 ? ? ? ? ? ? 172 MSE J CG 1 +ATOM 19234 SE SE . MSE J 1 173 ? 30.423 74.154 71.995 0.75 23.03 ? ? ? ? ? ? 172 MSE J SE 1 +ATOM 19235 C CE . MSE J 1 173 ? 30.185 72.347 71.293 1.00 22.92 ? ? ? ? ? ? 172 MSE J CE 1 +ATOM 19236 N N . HIS J 1 174 ? 35.660 73.579 74.780 1.00 21.68 ? ? ? ? ? ? 173 HIS J N 1 +ATOM 19237 C CA . HIS J 1 174 ? 37.065 73.212 74.791 1.00 21.87 ? ? ? ? ? ? 173 HIS J CA 1 +ATOM 19238 C C . HIS J 1 174 ? 37.544 72.730 76.167 1.00 23.12 ? ? ? ? ? ? 173 HIS J C 1 +ATOM 19239 O O . HIS J 1 174 ? 37.932 71.572 76.326 1.00 23.29 ? ? ? ? ? ? 173 HIS J O 1 +ATOM 19240 C CB . HIS J 1 174 ? 37.925 74.385 74.289 1.00 20.57 ? ? ? ? ? ? 173 HIS J CB 1 +ATOM 19241 C CG . HIS J 1 174 ? 39.401 74.155 74.417 1.00 24.17 ? ? ? ? ? ? 173 HIS J CG 1 +ATOM 19242 N ND1 . HIS J 1 174 ? 40.038 73.071 73.848 1.00 27.88 ? ? ? ? ? ? 173 HIS J ND1 1 +ATOM 19243 C CD2 . HIS J 1 174 ? 40.372 74.891 75.016 1.00 23.17 ? ? ? ? ? ? 173 HIS J CD2 1 +ATOM 19244 C CE1 . HIS J 1 174 ? 41.334 73.134 74.116 1.00 26.60 ? ? ? ? ? ? 173 HIS J CE1 1 +ATOM 19245 N NE2 . HIS J 1 174 ? 41.567 74.239 74.809 1.00 25.42 ? ? ? ? ? ? 173 HIS J NE2 1 +ATOM 19246 N N . TYR J 1 175 ? 37.481 73.601 77.165 1.00 22.62 ? ? ? ? ? ? 174 TYR J N 1 +ATOM 19247 C CA . TYR J 1 175 ? 37.975 73.274 78.486 1.00 21.70 ? ? ? ? ? ? 174 TYR J CA 1 +ATOM 19248 C C . TYR J 1 175 ? 37.132 72.231 79.231 1.00 20.76 ? ? ? ? ? ? 174 TYR J C 1 +ATOM 19249 O O . TYR J 1 175 ? 37.692 71.344 79.866 1.00 19.59 ? ? ? ? ? ? 174 TYR J O 1 +ATOM 19250 C CB . TYR J 1 175 ? 38.139 74.556 79.326 1.00 20.55 ? ? ? ? ? ? 174 TYR J CB 1 +ATOM 19251 C CG . TYR J 1 175 ? 39.352 75.384 78.979 1.00 21.55 ? ? ? ? ? ? 174 TYR J CG 1 +ATOM 19252 C CD1 . TYR J 1 175 ? 40.611 74.807 78.918 1.00 22.06 ? ? ? ? ? ? 174 TYR J CD1 1 +ATOM 19253 C CD2 . TYR J 1 175 ? 39.240 76.743 78.718 1.00 20.78 ? ? ? ? ? ? 174 TYR J CD2 1 +ATOM 19254 C CE1 . TYR J 1 175 ? 41.732 75.555 78.616 1.00 23.41 ? ? ? ? ? ? 174 TYR J CE1 1 +ATOM 19255 C CE2 . TYR J 1 175 ? 40.354 77.503 78.403 1.00 23.26 ? ? ? ? ? ? 174 TYR J CE2 1 +ATOM 19256 C CZ . TYR J 1 175 ? 41.602 76.895 78.364 1.00 24.81 ? ? ? ? ? ? 174 TYR J CZ 1 +ATOM 19257 O OH . TYR J 1 175 ? 42.713 77.626 78.102 1.00 18.78 ? ? ? ? ? ? 174 TYR J OH 1 +ATOM 19258 N N . HIS J 1 176 ? 35.805 72.314 79.141 1.00 22.04 ? ? ? ? ? ? 175 HIS J N 1 +ATOM 19259 C CA . HIS J 1 176 ? 34.915 71.459 79.922 1.00 22.22 ? ? ? ? ? ? 175 HIS J CA 1 +ATOM 19260 C C . HIS J 1 176 ? 33.679 71.022 79.158 1.00 23.40 ? ? ? ? ? ? 175 HIS J C 1 +ATOM 19261 O O . HIS J 1 176 ? 32.538 71.457 79.470 1.00 23.44 ? ? ? ? ? ? 175 HIS J O 1 +ATOM 19262 C CB . HIS J 1 176 ? 34.484 72.162 81.210 1.00 22.28 ? ? ? ? ? ? 175 HIS J CB 1 +ATOM 19263 C CG . HIS J 1 176 ? 35.612 72.410 82.146 1.00 22.15 ? ? ? ? ? ? 175 HIS J CG 1 +ATOM 19264 N ND1 . HIS J 1 176 ? 36.049 71.471 83.049 1.00 22.11 ? ? ? ? ? ? 175 HIS J ND1 1 +ATOM 19265 C CD2 . HIS J 1 176 ? 36.407 73.494 82.308 1.00 24.54 ? ? ? ? ? ? 175 HIS J CD2 1 +ATOM 19266 C CE1 . HIS J 1 176 ? 37.076 71.962 83.718 1.00 27.65 ? ? ? ? ? ? 175 HIS J CE1 1 +ATOM 19267 N NE2 . HIS J 1 176 ? 37.307 73.192 83.294 1.00 23.75 ? ? ? ? ? ? 175 HIS J NE2 1 +ATOM 19268 N N . PRO J 1 177 ? 33.890 70.140 78.166 1.00 25.10 ? ? ? ? ? ? 176 PRO J N 1 +ATOM 19269 C CA . PRO J 1 177 ? 32.811 69.607 77.340 1.00 26.13 ? ? ? ? ? ? 176 PRO J CA 1 +ATOM 19270 C C . PRO J 1 177 ? 31.649 68.993 78.139 1.00 26.05 ? ? ? ? ? ? 176 PRO J C 1 +ATOM 19271 O O . PRO J 1 177 ? 30.501 69.120 77.758 1.00 27.31 ? ? ? ? ? ? 176 PRO J O 1 +ATOM 19272 C CB . PRO J 1 177 ? 33.519 68.556 76.453 1.00 26.40 ? ? ? ? ? ? 176 PRO J CB 1 +ATOM 19273 C CG . PRO J 1 177 ? 34.907 68.485 76.909 1.00 23.88 ? ? ? ? ? ? 176 PRO J CG 1 +ATOM 19274 C CD . PRO J 1 177 ? 35.221 69.648 77.752 1.00 24.33 ? ? ? ? ? ? 176 PRO J CD 1 +ATOM 19275 N N . GLU J 1 178 ? 31.983 68.374 79.262 1.00 27.47 ? ? ? ? ? ? 177 GLU J N 1 +ATOM 19276 C CA . GLU J 1 178 ? 31.044 67.767 80.188 1.00 27.59 ? ? ? ? ? ? 177 GLU J CA 1 +ATOM 19277 C C . GLU J 1 178 ? 30.133 68.756 80.947 1.00 27.38 ? ? ? ? ? ? 177 GLU J C 1 +ATOM 19278 O O . GLU J 1 178 ? 29.120 68.361 81.528 1.00 26.45 ? ? ? ? ? ? 177 GLU J O 1 +ATOM 19279 C CB . GLU J 1 178 ? 31.853 66.956 81.211 1.00 30.09 ? ? ? ? ? ? 177 GLU J CB 1 +ATOM 19280 C CG . GLU J 1 178 ? 32.538 67.759 82.366 1.00 32.50 ? ? ? ? ? ? 177 GLU J CG 1 +ATOM 19281 C CD . GLU J 1 178 ? 33.887 68.405 82.055 1.00 33.85 ? ? ? ? ? ? 177 GLU J CD 1 +ATOM 19282 O OE1 . GLU J 1 178 ? 34.397 68.320 80.903 1.00 28.98 ? ? ? ? ? ? 177 GLU J OE1 1 +ATOM 19283 O OE2 . GLU J 1 178 ? 34.427 69.032 83.007 1.00 34.05 ? ? ? ? ? ? 177 GLU J OE2 1 +ATOM 19284 N N . LEU J 1 179 ? 30.503 70.034 80.950 1.00 26.67 ? ? ? ? ? ? 178 LEU J N 1 +ATOM 19285 C CA . LEU J 1 179 ? 29.731 71.074 81.641 1.00 25.62 ? ? ? ? ? ? 178 LEU J CA 1 +ATOM 19286 C C . LEU J 1 179 ? 28.732 71.812 80.742 1.00 26.62 ? ? ? ? ? ? 178 LEU J C 1 +ATOM 19287 O O . LEU J 1 179 ? 27.908 72.559 81.239 1.00 28.55 ? ? ? ? ? ? 178 LEU J O 1 +ATOM 19288 C CB . LEU J 1 179 ? 30.685 72.073 82.316 1.00 23.77 ? ? ? ? ? ? 178 LEU J CB 1 +ATOM 19289 C CG . LEU J 1 179 ? 31.476 71.582 83.540 1.00 26.14 ? ? ? ? ? ? 178 LEU J CG 1 +ATOM 19290 C CD1 . LEU J 1 179 ? 32.076 72.764 84.237 1.00 23.44 ? ? ? ? ? ? 178 LEU J CD1 1 +ATOM 19291 C CD2 . LEU J 1 179 ? 30.637 70.804 84.541 1.00 26.03 ? ? ? ? ? ? 178 LEU J CD2 1 +ATOM 19292 N N . VAL J 1 180 ? 28.781 71.608 79.431 1.00 26.78 ? ? ? ? ? ? 179 VAL J N 1 +ATOM 19293 C CA . VAL J 1 180 ? 27.883 72.325 78.527 1.00 26.96 ? ? ? ? ? ? 179 VAL J CA 1 +ATOM 19294 C C . VAL J 1 180 ? 27.340 71.404 77.453 1.00 28.08 ? ? ? ? ? ? 179 VAL J C 1 +ATOM 19295 O O . VAL J 1 180 ? 28.086 70.663 76.856 1.00 28.11 ? ? ? ? ? ? 179 VAL J O 1 +ATOM 19296 C CB . VAL J 1 180 ? 28.532 73.581 77.854 1.00 28.37 ? ? ? ? ? ? 179 VAL J CB 1 +ATOM 19297 C CG1 . VAL J 1 180 ? 29.893 73.270 77.226 1.00 26.30 ? ? ? ? ? ? 179 VAL J CG1 1 +ATOM 19298 C CG2 . VAL J 1 180 ? 27.567 74.178 76.801 1.00 26.87 ? ? ? ? ? ? 179 VAL J CG2 1 +ATOM 19299 N N . ASN J 1 181 ? 26.019 71.440 77.281 1.00 29.01 ? ? ? ? ? ? 180 ASN J N 1 +ATOM 19300 C CA . ASN J 1 181 ? 25.325 70.783 76.195 1.00 28.56 ? ? ? ? ? ? 180 ASN J CA 1 +ATOM 19301 C C . ASN J 1 181 ? 24.712 71.826 75.277 1.00 27.55 ? ? ? ? ? ? 180 ASN J C 1 +ATOM 19302 O O . ASN J 1 181 ? 23.668 72.409 75.585 1.00 26.72 ? ? ? ? ? ? 180 ASN J O 1 +ATOM 19303 C CB . ASN J 1 181 ? 24.216 69.896 76.748 1.00 31.67 ? ? ? ? ? ? 180 ASN J CB 1 +ATOM 19304 C CG . ASN J 1 181 ? 24.755 68.741 77.585 1.00 36.10 ? ? ? ? ? ? 180 ASN J CG 1 +ATOM 19305 O OD1 . ASN J 1 181 ? 25.746 68.102 77.217 1.00 36.06 ? ? ? ? ? ? 180 ASN J OD1 1 +ATOM 19306 N ND2 . ASN J 1 181 ? 24.097 68.468 78.713 1.00 31.39 ? ? ? ? ? ? 180 ASN J ND2 1 +ATOM 19307 N N . LEU J 1 182 ? 25.357 72.038 74.140 1.00 26.74 ? ? ? ? ? ? 181 LEU J N 1 +ATOM 19308 C CA . LEU J 1 182 ? 24.964 73.083 73.220 1.00 27.28 ? ? ? ? ? ? 181 LEU J CA 1 +ATOM 19309 C C . LEU J 1 182 ? 23.503 72.954 72.767 1.00 27.19 ? ? ? ? ? ? 181 LEU J C 1 +ATOM 19310 O O . LEU J 1 182 ? 22.848 73.954 72.549 1.00 26.73 ? ? ? ? ? ? 181 LEU J O 1 +ATOM 19311 C CB . LEU J 1 182 ? 25.924 73.123 72.015 1.00 27.98 ? ? ? ? ? ? 181 LEU J CB 1 +ATOM 19312 C CG . LEU J 1 182 ? 25.847 74.319 71.055 1.00 28.76 ? ? ? ? ? ? 181 LEU J CG 1 +ATOM 19313 C CD1 . LEU J 1 182 ? 26.064 75.649 71.790 1.00 23.61 ? ? ? ? ? ? 181 LEU J CD1 1 +ATOM 19314 C CD2 . LEU J 1 182 ? 26.876 74.126 69.950 1.00 27.56 ? ? ? ? ? ? 181 LEU J CD2 1 +ATOM 19315 N N . ALA J 1 183 ? 22.986 71.727 72.690 1.00 28.14 ? ? ? ? ? ? 182 ALA J N 1 +ATOM 19316 C CA . ALA J 1 183 ? 21.603 71.483 72.268 1.00 28.91 ? ? ? ? ? ? 182 ALA J CA 1 +ATOM 19317 C C . ALA J 1 183 ? 20.534 72.112 73.171 1.00 29.78 ? ? ? ? ? ? 182 ALA J C 1 +ATOM 19318 O O . ALA J 1 183 ? 19.402 72.282 72.734 1.00 30.32 ? ? ? ? ? ? 182 ALA J O 1 +ATOM 19319 C CB . ALA J 1 183 ? 21.372 69.983 72.146 1.00 28.25 ? ? ? ? ? ? 182 ALA J CB 1 +ATOM 19320 N N . GLU J 1 184 ? 20.892 72.457 74.408 1.00 30.53 ? ? ? ? ? ? 183 GLU J N 1 +ATOM 19321 C CA . GLU J 1 184 ? 19.945 73.048 75.381 1.00 31.57 ? ? ? ? ? ? 183 GLU J CA 1 +ATOM 19322 C C . GLU J 1 184 ? 19.926 74.577 75.341 1.00 27.98 ? ? ? ? ? ? 183 GLU J C 1 +ATOM 19323 O O . GLU J 1 184 ? 19.110 75.200 76.027 1.00 27.42 ? ? ? ? ? ? 183 GLU J O 1 +ATOM 19324 C CB . GLU J 1 184 ? 20.279 72.594 76.811 1.00 31.18 ? ? ? ? ? ? 183 GLU J CB 1 +ATOM 19325 C CG . GLU J 1 184 ? 20.501 71.096 76.979 1.00 34.07 ? ? ? ? ? ? 183 GLU J CG 1 +ATOM 19326 C CD . GLU J 1 184 ? 21.097 70.708 78.358 1.00 37.93 ? ? ? ? ? ? 183 GLU J CD 1 +ATOM 19327 O OE1 . GLU J 1 184 ? 21.476 71.602 79.156 1.00 43.24 ? ? ? ? ? ? 183 GLU J OE1 1 +ATOM 19328 O OE2 . GLU J 1 184 ? 21.190 69.485 78.640 1.00 44.19 ? ? ? ? ? ? 183 GLU J OE2 1 +ATOM 19329 N N . ALA J 1 185 ? 20.819 75.168 74.540 1.00 26.44 ? ? ? ? ? ? 184 ALA J N 1 +ATOM 19330 C CA . ALA J 1 185 ? 20.929 76.615 74.402 1.00 25.38 ? ? ? ? ? ? 184 ALA J CA 1 +ATOM 19331 C C . ALA J 1 185 ? 19.668 77.203 73.775 1.00 26.27 ? ? ? ? ? ? 184 ALA J C 1 +ATOM 19332 O O . ALA J 1 185 ? 19.062 76.588 72.886 1.00 26.98 ? ? ? ? ? ? 184 ALA J O 1 +ATOM 19333 C CB . ALA J 1 185 ? 22.133 76.965 73.547 1.00 22.29 ? ? ? ? ? ? 184 ALA J CB 1 +ATOM 19334 N N . GLY J 1 186 ? 19.291 78.397 74.232 1.00 26.28 ? ? ? ? ? ? 185 GLY J N 1 +ATOM 19335 C CA . GLY J 1 186 ? 18.338 79.252 73.516 1.00 24.55 ? ? ? ? ? ? 185 GLY J CA 1 +ATOM 19336 C C . GLY J 1 186 ? 19.079 80.167 72.566 1.00 24.83 ? ? ? ? ? ? 185 GLY J C 1 +ATOM 19337 O O . GLY J 1 186 ? 20.302 80.137 72.495 1.00 24.71 ? ? ? ? ? ? 185 GLY J O 1 +ATOM 19338 N N . ASP J 1 187 ? 18.352 80.992 71.832 1.00 25.80 ? ? ? ? ? ? 186 ASP J N 1 +ATOM 19339 C CA . ASP J 1 187 ? 18.965 81.888 70.829 1.00 28.00 ? ? ? ? ? ? 186 ASP J CA 1 +ATOM 19340 C C . ASP J 1 187 ? 19.700 83.129 71.384 1.00 27.03 ? ? ? ? ? ? 186 ASP J C 1 +ATOM 19341 O O . ASP J 1 187 ? 20.437 83.783 70.651 1.00 26.67 ? ? ? ? ? ? 186 ASP J O 1 +ATOM 19342 C CB . ASP J 1 187 ? 17.890 82.349 69.826 1.00 29.32 ? ? ? ? ? ? 186 ASP J CB 1 +ATOM 19343 C CG . ASP J 1 187 ? 17.579 81.295 68.752 1.00 37.84 ? ? ? ? ? ? 186 ASP J CG 1 +ATOM 19344 O OD1 . ASP J 1 187 ? 18.228 80.219 68.714 1.00 48.48 ? ? ? ? ? ? 186 ASP J OD1 1 +ATOM 19345 O OD2 . ASP J 1 187 ? 16.679 81.562 67.932 1.00 49.98 ? ? ? ? ? ? 186 ASP J OD2 1 +ATOM 19346 N N . GLY J 1 188 ? 19.486 83.451 72.657 1.00 27.02 ? ? ? ? ? ? 187 GLY J N 1 +ATOM 19347 C CA . GLY J 1 188 ? 20.097 84.608 73.282 1.00 26.63 ? ? ? ? ? ? 187 GLY J CA 1 +ATOM 19348 C C . GLY J 1 188 ? 19.680 85.925 72.655 1.00 26.88 ? ? ? ? ? ? 187 GLY J C 1 +ATOM 19349 O O . GLY J 1 188 ? 20.494 86.838 72.542 1.00 25.98 ? ? ? ? ? ? 187 GLY J O 1 +ATOM 19350 N N . GLU J 1 189 ? 18.423 86.028 72.225 1.00 27.99 ? ? ? ? ? ? 188 GLU J N 1 +ATOM 19351 C CA . GLU J 1 189 ? 17.935 87.261 71.586 1.00 30.99 ? ? ? ? ? ? 188 GLU J CA 1 +ATOM 19352 C C . GLU J 1 189 ? 17.876 88.349 72.602 1.00 30.48 ? ? ? ? ? ? 188 GLU J C 1 +ATOM 19353 O O . GLU J 1 189 ? 17.453 88.113 73.743 1.00 29.98 ? ? ? ? ? ? 188 GLU J O 1 +ATOM 19354 C CB . GLU J 1 189 ? 16.543 87.089 70.969 1.00 30.60 ? ? ? ? ? ? 188 GLU J CB 1 +ATOM 19355 C CG . GLU J 1 189 ? 16.558 86.202 69.728 1.00 43.54 ? ? ? ? ? ? 188 GLU J CG 1 +ATOM 19356 C CD . GLU J 1 189 ? 15.170 85.759 69.272 1.00 43.70 ? ? ? ? ? ? 188 GLU J CD 1 +ATOM 19357 O OE1 . GLU J 1 189 ? 14.398 86.627 68.785 1.00 66.23 ? ? ? ? ? ? 188 GLU J OE1 1 +ATOM 19358 O OE2 . GLU J 1 189 ? 14.868 84.541 69.382 1.00 62.57 ? ? ? ? ? ? 188 GLU J OE2 1 +ATOM 19359 N N . SER J 1 190 ? 18.284 89.538 72.186 1.00 31.61 ? ? ? ? ? ? 189 SER J N 1 +ATOM 19360 C CA . SER J 1 190 ? 18.318 90.693 73.073 1.00 32.73 ? ? ? ? ? ? 189 SER J CA 1 +ATOM 19361 C C . SER J 1 190 ? 17.636 91.917 72.461 1.00 33.64 ? ? ? ? ? ? 189 SER J C 1 +ATOM 19362 O O . SER J 1 190 ? 17.619 92.074 71.250 1.00 34.70 ? ? ? ? ? ? 189 SER J O 1 +ATOM 19363 C CB . SER J 1 190 ? 19.757 91.022 73.424 1.00 32.96 ? ? ? ? ? ? 189 SER J CB 1 +ATOM 19364 O OG . SER J 1 190 ? 20.521 91.142 72.248 1.00 35.99 ? ? ? ? ? ? 189 SER J OG 1 +ATOM 19365 N N . LYS J 1 191 ? 17.093 92.779 73.314 1.00 32.40 ? ? ? ? ? ? 190 LYS J N 1 +ATOM 19366 C CA . LYS J 1 191 ? 16.458 94.042 72.906 1.00 34.65 ? ? ? ? ? ? 190 LYS J CA 1 +ATOM 19367 C C . LYS J 1 191 ? 17.319 95.263 73.258 1.00 31.91 ? ? ? ? ? ? 190 LYS J C 1 +ATOM 19368 O O . LYS J 1 191 ? 17.870 95.335 74.355 1.00 30.80 ? ? ? ? ? ? 190 LYS J O 1 +ATOM 19369 C CB . LYS J 1 191 ? 15.101 94.198 73.591 1.00 34.21 ? ? ? ? ? ? 190 LYS J CB 1 +ATOM 19370 C CG . LYS J 1 191 ? 13.978 93.424 72.927 1.00 42.29 ? ? ? ? ? ? 190 LYS J CG 1 +ATOM 19371 C CD . LYS J 1 191 ? 12.597 93.694 73.596 1.00 44.74 ? ? ? ? ? ? 190 LYS J CD 1 +ATOM 19372 C CE . LYS J 1 191 ? 12.097 95.141 73.384 1.00 54.36 ? ? ? ? ? ? 190 LYS J CE 1 +ATOM 19373 N NZ . LYS J 1 191 ? 11.338 95.715 74.540 1.00 54.60 ? ? ? ? ? ? 190 LYS J NZ 1 +ATOM 19374 N N . PRO J 1 192 ? 17.410 96.247 72.347 1.00 30.86 ? ? ? ? ? ? 191 PRO J N 1 +ATOM 19375 C CA . PRO J 1 192 ? 18.168 97.428 72.673 1.00 29.53 ? ? ? ? ? ? 191 PRO J CA 1 +ATOM 19376 C C . PRO J 1 192 ? 17.287 98.391 73.477 1.00 27.21 ? ? ? ? ? ? 191 PRO J C 1 +ATOM 19377 O O . PRO J 1 192 ? 16.114 98.105 73.720 1.00 26.13 ? ? ? ? ? ? 191 PRO J O 1 +ATOM 19378 C CB . PRO J 1 192 ? 18.504 97.989 71.302 1.00 29.96 ? ? ? ? ? ? 191 PRO J CB 1 +ATOM 19379 C CG . PRO J 1 192 ? 17.304 97.664 70.499 1.00 32.04 ? ? ? ? ? ? 191 PRO J CG 1 +ATOM 19380 C CD . PRO J 1 192 ? 16.794 96.360 71.009 1.00 31.45 ? ? ? ? ? ? 191 PRO J CD 1 +ATOM 19381 N N . PHE J 1 193 ? 17.859 99.512 73.903 1.00 26.52 ? ? ? ? ? ? 192 PHE J N 1 +ATOM 19382 C CA . PHE J 1 193 ? 17.101 100.558 74.616 1.00 25.75 ? ? ? ? ? ? 192 PHE J CA 1 +ATOM 19383 C C . PHE J 1 193 ? 16.130 101.269 73.648 1.00 25.87 ? ? ? ? ? ? 192 PHE J C 1 +ATOM 19384 O O . PHE J 1 193 ? 16.254 101.161 72.431 1.00 25.85 ? ? ? ? ? ? 192 PHE J O 1 +ATOM 19385 C CB . PHE J 1 193 ? 18.055 101.590 75.214 1.00 25.14 ? ? ? ? ? ? 192 PHE J CB 1 +ATOM 19386 C CG . PHE J 1 193 ? 19.060 101.034 76.200 1.00 23.54 ? ? ? ? ? ? 192 PHE J CG 1 +ATOM 19387 C CD1 . PHE J 1 193 ? 18.644 100.475 77.400 1.00 27.18 ? ? ? ? ? ? 192 PHE J CD1 1 +ATOM 19388 C CD2 . PHE J 1 193 ? 20.401 101.173 75.982 1.00 23.94 ? ? ? ? ? ? 192 PHE J CD2 1 +ATOM 19389 C CE1 . PHE J 1 193 ? 19.561 100.013 78.343 1.00 25.33 ? ? ? ? ? ? 192 PHE J CE1 1 +ATOM 19390 C CE2 . PHE J 1 193 ? 21.346 100.693 76.917 1.00 27.41 ? ? ? ? ? ? 192 PHE J CE2 1 +ATOM 19391 C CZ . PHE J 1 193 ? 20.909 100.130 78.107 1.00 24.51 ? ? ? ? ? ? 192 PHE J CZ 1 +ATOM 19392 N N . ALA J 1 194 ? 15.176 102.005 74.190 1.00 26.34 ? ? ? ? ? ? 193 ALA J N 1 +ATOM 19393 C CA . ALA J 1 194 ? 14.311 102.875 73.379 1.00 27.27 ? ? ? ? ? ? 193 ALA J CA 1 +ATOM 19394 C C . ALA J 1 194 ? 14.946 104.256 73.183 1.00 28.28 ? ? ? ? ? ? 193 ALA J C 1 +ATOM 19395 O O . ALA J 1 194 ? 14.529 104.999 72.302 1.00 29.61 ? ? ? ? ? ? 193 ALA J O 1 +ATOM 19396 C CB . ALA J 1 194 ? 12.957 102.995 73.991 1.00 24.36 ? ? ? ? ? ? 193 ALA J CB 1 +ATOM 19397 N N . ILE J 1 195 ? 15.980 104.567 73.972 1.00 28.31 ? ? ? ? ? ? 194 ILE J N 1 +ATOM 19398 C CA . ILE J 1 195 ? 16.769 105.798 73.834 1.00 25.30 ? ? ? ? ? ? 194 ILE J CA 1 +ATOM 19399 C C . ILE J 1 195 ? 17.975 105.565 72.906 1.00 26.43 ? ? ? ? ? ? 194 ILE J C 1 +ATOM 19400 O O . ILE J 1 195 ? 18.988 104.953 73.268 1.00 26.69 ? ? ? ? ? ? 194 ILE J O 1 +ATOM 19401 C CB . ILE J 1 195 ? 17.222 106.300 75.192 1.00 25.70 ? ? ? ? ? ? 194 ILE J CB 1 +ATOM 19402 C CG1 . ILE J 1 195 ? 15.994 106.481 76.098 1.00 22.21 ? ? ? ? ? ? 194 ILE J CG1 1 +ATOM 19403 C CG2 . ILE J 1 195 ? 18.096 107.600 75.014 1.00 23.18 ? ? ? ? ? ? 194 ILE J CG2 1 +ATOM 19404 C CD1 . ILE J 1 195 ? 16.306 106.728 77.606 1.00 24.24 ? ? ? ? ? ? 194 ILE J CD1 1 +ATOM 19405 N N . ALA J 1 196 ? 17.852 106.065 71.680 1.00 26.05 ? ? ? ? ? ? 195 ALA J N 1 +ATOM 19406 C CA . ALA J 1 196 ? 18.786 105.757 70.609 1.00 24.88 ? ? ? ? ? ? 195 ALA J CA 1 +ATOM 19407 C C . ALA J 1 196 ? 20.236 106.123 70.937 1.00 24.48 ? ? ? ? ? ? 195 ALA J C 1 +ATOM 19408 O O . ALA J 1 196 ? 21.160 105.397 70.605 1.00 25.56 ? ? ? ? ? ? 195 ALA J O 1 +ATOM 19409 C CB . ALA J 1 196 ? 18.339 106.476 69.334 1.00 26.14 ? ? ? ? ? ? 195 ALA J CB 1 +ATOM 19410 N N . SER J 1 197 ? 20.440 107.260 71.573 1.00 23.94 ? ? ? ? ? ? 196 SER J N 1 +ATOM 19411 C CA . SER J 1 197 ? 21.780 107.675 71.991 1.00 24.09 ? ? ? ? ? ? 196 SER J CA 1 +ATOM 19412 C C . SER J 1 197 ? 22.482 106.685 72.940 1.00 23.43 ? ? ? ? ? ? 196 SER J C 1 +ATOM 19413 O O . SER J 1 197 ? 23.713 106.544 72.901 1.00 23.46 ? ? ? ? ? ? 196 SER J O 1 +ATOM 19414 C CB . SER J 1 197 ? 21.711 109.065 72.634 1.00 24.90 ? ? ? ? ? ? 196 SER J CB 1 +ATOM 19415 O OG . SER J 1 197 ? 21.239 110.011 71.697 1.00 25.06 ? ? ? ? ? ? 196 SER J OG 1 +ATOM 19416 N N . LEU J 1 198 ? 21.713 105.994 73.778 1.00 23.40 ? ? ? ? ? ? 197 LEU J N 1 +ATOM 19417 C CA . LEU J 1 198 ? 22.300 104.957 74.636 1.00 24.23 ? ? ? ? ? ? 197 LEU J CA 1 +ATOM 19418 C C . LEU J 1 198 ? 22.804 103.782 73.796 1.00 25.26 ? ? ? ? ? ? 197 LEU J C 1 +ATOM 19419 O O . LEU J 1 198 ? 23.907 103.245 74.053 1.00 26.02 ? ? ? ? ? ? 197 LEU J O 1 +ATOM 19420 C CB . LEU J 1 198 ? 21.315 104.502 75.702 1.00 23.21 ? ? ? ? ? ? 197 LEU J CB 1 +ATOM 19421 C CG . LEU J 1 198 ? 20.898 105.627 76.656 1.00 21.75 ? ? ? ? ? ? 197 LEU J CG 1 +ATOM 19422 C CD1 . LEU J 1 198 ? 19.926 105.144 77.690 1.00 22.66 ? ? ? ? ? ? 197 LEU J CD1 1 +ATOM 19423 C CD2 . LEU J 1 198 ? 22.087 106.262 77.323 1.00 16.76 ? ? ? ? ? ? 197 LEU J CD2 1 +ATOM 19424 N N . ASN J 1 199 ? 22.034 103.432 72.766 1.00 26.55 ? ? ? ? ? ? 198 ASN J N 1 +ATOM 19425 C CA . ASN J 1 199 ? 22.411 102.389 71.802 1.00 27.32 ? ? ? ? ? ? 198 ASN J CA 1 +ATOM 19426 C C . ASN J 1 199 ? 23.625 102.780 70.988 1.00 27.74 ? ? ? ? ? ? 198 ASN J C 1 +ATOM 19427 O O . ASN J 1 199 ? 24.436 101.923 70.640 1.00 27.72 ? ? ? ? ? ? 198 ASN J O 1 +ATOM 19428 C CB . ASN J 1 199 ? 21.202 102.020 70.911 1.00 27.29 ? ? ? ? ? ? 198 ASN J CB 1 +ATOM 19429 C CG . ASN J 1 199 ? 20.071 101.374 71.722 1.00 29.34 ? ? ? ? ? ? 198 ASN J CG 1 +ATOM 19430 O OD1 . ASN J 1 199 ? 20.343 100.690 72.720 1.00 25.42 ? ? ? ? ? ? 198 ASN J OD1 1 +ATOM 19431 N ND2 . ASN J 1 199 ? 18.807 101.606 71.322 1.00 27.91 ? ? ? ? ? ? 198 ASN J ND2 1 +ATOM 19432 N N . GLU J 1 200 ? 23.781 104.080 70.737 1.00 28.69 ? ? ? ? ? ? 199 GLU J N 1 +ATOM 19433 C CA . GLU J 1 200 ? 24.962 104.613 70.036 1.00 31.05 ? ? ? ? ? ? 199 GLU J CA 1 +ATOM 19434 C C . GLU J 1 200 ? 26.129 104.927 71.002 1.00 30.42 ? ? ? ? ? ? 199 GLU J C 1 +ATOM 19435 O O . GLU J 1 200 ? 27.192 105.387 70.581 1.00 29.93 ? ? ? ? ? ? 199 GLU J O 1 +ATOM 19436 C CB . GLU J 1 200 ? 24.575 105.867 69.238 1.00 30.21 ? ? ? ? ? ? 199 GLU J CB 1 +ATOM 19437 C CG . GLU J 1 200 ? 23.595 105.590 68.087 1.00 36.54 ? ? ? ? ? ? 199 GLU J CG 1 +ATOM 19438 C CD . GLU J 1 200 ? 22.672 106.777 67.769 1.00 39.51 ? ? ? ? ? ? 199 GLU J CD 1 +ATOM 19439 O OE1 . GLU J 1 200 ? 22.985 107.940 68.162 1.00 48.25 ? ? ? ? ? ? 199 GLU J OE1 1 +ATOM 19440 O OE2 . GLU J 1 200 ? 21.623 106.537 67.115 1.00 54.36 ? ? ? ? ? ? 199 GLU J OE2 1 +ATOM 19441 N N . LYS J 1 201 ? 25.924 104.686 72.304 1.00 30.43 ? ? ? ? ? ? 200 LYS J N 1 +ATOM 19442 C CA . LYS J 1 201 ? 26.969 104.844 73.315 1.00 30.13 ? ? ? ? ? ? 200 LYS J CA 1 +ATOM 19443 C C . LYS J 1 201 ? 27.420 106.314 73.566 1.00 27.92 ? ? ? ? ? ? 200 LYS J C 1 +ATOM 19444 O O . LYS J 1 201 ? 28.550 106.575 73.982 1.00 27.97 ? ? ? ? ? ? 200 LYS J O 1 +ATOM 19445 C CB . LYS J 1 201 ? 28.145 103.927 72.982 1.00 31.05 ? ? ? ? ? ? 200 LYS J CB 1 +ATOM 19446 C CG . LYS J 1 201 ? 27.688 102.470 72.856 1.00 36.64 ? ? ? ? ? ? 200 LYS J CG 1 +ATOM 19447 C CD . LYS J 1 201 ? 28.868 101.506 72.730 1.00 39.60 ? ? ? ? ? ? 200 LYS J CD 1 +ATOM 19448 C CE . LYS J 1 201 ? 28.431 100.073 73.027 1.00 50.36 ? ? ? ? ? ? 200 LYS J CE 1 +ATOM 19449 N NZ . LYS J 1 201 ? 29.614 99.141 73.101 1.00 55.28 ? ? ? ? ? ? 200 LYS J NZ 1 +ATOM 19450 N N . VAL J 1 202 ? 26.518 107.262 73.337 1.00 25.32 ? ? ? ? ? ? 201 VAL J N 1 +ATOM 19451 C CA . VAL J 1 202 ? 26.731 108.641 73.756 1.00 24.60 ? ? ? ? ? ? 201 VAL J CA 1 +ATOM 19452 C C . VAL J 1 202 ? 26.938 108.627 75.303 1.00 23.71 ? ? ? ? ? ? 201 VAL J C 1 +ATOM 19453 O O . VAL J 1 202 ? 27.813 109.285 75.813 1.00 22.53 ? ? ? ? ? ? 201 VAL J O 1 +ATOM 19454 C CB . VAL J 1 202 ? 25.536 109.533 73.280 1.00 24.18 ? ? ? ? ? ? 201 VAL J CB 1 +ATOM 19455 C CG1 . VAL J 1 202 ? 25.680 111.006 73.730 1.00 20.73 ? ? ? ? ? ? 201 VAL J CG1 1 +ATOM 19456 C CG2 . VAL J 1 202 ? 25.420 109.441 71.756 1.00 22.12 ? ? ? ? ? ? 201 VAL J CG2 1 +ATOM 19457 N N . ALA J 1 203 ? 26.123 107.834 76.008 1.00 22.70 ? ? ? ? ? ? 202 ALA J N 1 +ATOM 19458 C CA . ALA J 1 203 ? 26.221 107.633 77.441 1.00 21.13 ? ? ? ? ? ? 202 ALA J CA 1 +ATOM 19459 C C . ALA J 1 203 ? 25.956 106.167 77.749 1.00 22.12 ? ? ? ? ? ? 202 ALA J C 1 +ATOM 19460 O O . ALA J 1 203 ? 25.423 105.437 76.909 1.00 22.32 ? ? ? ? ? ? 202 ALA J O 1 +ATOM 19461 C CB . ALA J 1 203 ? 25.244 108.552 78.206 1.00 19.66 ? ? ? ? ? ? 202 ALA J CB 1 +ATOM 19462 N N . TRP J 1 204 ? 26.372 105.732 78.939 1.00 22.15 ? ? ? ? ? ? 203 TRP J N 1 +ATOM 19463 C CA . TRP J 1 204 ? 26.272 104.332 79.361 1.00 20.67 ? ? ? ? ? ? 203 TRP J CA 1 +ATOM 19464 C C . TRP J 1 204 ? 25.201 104.197 80.424 1.00 20.30 ? ? ? ? ? ? 203 TRP J C 1 +ATOM 19465 O O . TRP J 1 204 ? 25.165 104.990 81.380 1.00 18.67 ? ? ? ? ? ? 203 TRP J O 1 +ATOM 19466 C CB . TRP J 1 204 ? 27.628 103.819 79.894 1.00 20.52 ? ? ? ? ? ? 203 TRP J CB 1 +ATOM 19467 C CG . TRP J 1 204 ? 27.592 102.392 80.399 1.00 19.73 ? ? ? ? ? ? 203 TRP J CG 1 +ATOM 19468 C CD1 . TRP J 1 204 ? 27.843 101.243 79.673 1.00 22.65 ? ? ? ? ? ? 203 TRP J CD1 1 +ATOM 19469 C CD2 . TRP J 1 204 ? 27.288 101.960 81.736 1.00 21.36 ? ? ? ? ? ? 203 TRP J CD2 1 +ATOM 19470 N NE1 . TRP J 1 204 ? 27.718 100.125 80.493 1.00 21.87 ? ? ? ? ? ? 203 TRP J NE1 1 +ATOM 19471 C CE2 . TRP J 1 204 ? 27.370 100.534 81.753 1.00 24.07 ? ? ? ? ? ? 203 TRP J CE2 1 +ATOM 19472 C CE3 . TRP J 1 204 ? 26.919 102.628 82.921 1.00 20.32 ? ? ? ? ? ? 203 TRP J CE3 1 +ATOM 19473 C CZ2 . TRP J 1 204 ? 27.109 99.782 82.907 1.00 22.77 ? ? ? ? ? ? 203 TRP J CZ2 1 +ATOM 19474 C CZ3 . TRP J 1 204 ? 26.680 101.867 84.068 1.00 20.30 ? ? ? ? ? ? 203 TRP J CZ3 1 +ATOM 19475 C CH2 . TRP J 1 204 ? 26.763 100.456 84.037 1.00 20.90 ? ? ? ? ? ? 203 TRP J CH2 1 +ATOM 19476 N N . VAL J 1 205 ? 24.304 103.229 80.213 1.00 19.77 ? ? ? ? ? ? 204 VAL J N 1 +ATOM 19477 C CA . VAL J 1 205 ? 23.308 102.775 81.196 1.00 20.12 ? ? ? ? ? ? 204 VAL J CA 1 +ATOM 19478 C C . VAL J 1 205 ? 23.399 101.245 81.198 1.00 21.51 ? ? ? ? ? ? 204 VAL J C 1 +ATOM 19479 O O . VAL J 1 205 ? 23.637 100.655 80.148 1.00 21.48 ? ? ? ? ? ? 204 VAL J O 1 +ATOM 19480 C CB . VAL J 1 205 ? 21.850 103.210 80.812 1.00 20.22 ? ? ? ? ? ? 204 VAL J CB 1 +ATOM 19481 C CG1 . VAL J 1 205 ? 20.799 102.530 81.720 1.00 18.86 ? ? ? ? ? ? 204 VAL J CG1 1 +ATOM 19482 C CG2 . VAL J 1 205 ? 21.680 104.697 80.836 1.00 17.81 ? ? ? ? ? ? 204 VAL J CG2 1 +ATOM 19483 N N . PRO J 1 206 ? 23.233 100.585 82.361 1.00 21.43 ? ? ? ? ? ? 205 PRO J N 1 +ATOM 19484 C CA . PRO J 1 206 ? 23.281 99.116 82.310 1.00 22.37 ? ? ? ? ? ? 205 PRO J CA 1 +ATOM 19485 C C . PRO J 1 206 ? 22.078 98.515 81.598 1.00 22.56 ? ? ? ? ? ? 205 PRO J C 1 +ATOM 19486 O O . PRO J 1 206 ? 20.967 98.964 81.783 1.00 23.18 ? ? ? ? ? ? 205 PRO J O 1 +ATOM 19487 C CB . PRO J 1 206 ? 23.236 98.701 83.798 1.00 21.04 ? ? ? ? ? ? 205 PRO J CB 1 +ATOM 19488 C CG . PRO J 1 206 ? 22.544 99.834 84.479 1.00 20.87 ? ? ? ? ? ? 205 PRO J CG 1 +ATOM 19489 C CD . PRO J 1 206 ? 23.015 101.077 83.738 1.00 22.05 ? ? ? ? ? ? 205 PRO J CD 1 +ATOM 19490 N N . ARG J 1 207 ? 22.316 97.482 80.811 1.00 23.63 ? ? ? ? ? ? 206 ARG J N 1 +ATOM 19491 C CA . ARG J 1 207 ? 21.257 96.658 80.264 1.00 25.01 ? ? ? ? ? ? 206 ARG J CA 1 +ATOM 19492 C C . ARG J 1 207 ? 20.390 96.102 81.390 1.00 22.42 ? ? ? ? ? ? 206 ARG J C 1 +ATOM 19493 O O . ARG J 1 207 ? 20.915 95.625 82.386 1.00 21.48 ? ? ? ? ? ? 206 ARG J O 1 +ATOM 19494 C CB . ARG J 1 207 ? 21.912 95.509 79.488 1.00 25.52 ? ? ? ? ? ? 206 ARG J CB 1 +ATOM 19495 C CG . ARG J 1 207 ? 20.946 94.617 78.756 1.00 31.69 ? ? ? ? ? ? 206 ARG J CG 1 +ATOM 19496 C CD . ARG J 1 207 ? 21.637 93.383 78.142 1.00 33.30 ? ? ? ? ? ? 206 ARG J CD 1 +ATOM 19497 N NE . ARG J 1 207 ? 22.615 93.680 77.091 1.00 38.20 ? ? ? ? ? ? 206 ARG J NE 1 +ATOM 19498 C CZ . ARG J 1 207 ? 22.312 93.956 75.817 1.00 47.33 ? ? ? ? ? ? 206 ARG J CZ 1 +ATOM 19499 N NH1 . ARG J 1 207 ? 21.040 94.024 75.396 1.00 45.76 ? ? ? ? ? ? 206 ARG J NH1 1 +ATOM 19500 N NH2 . ARG J 1 207 ? 23.291 94.181 74.945 1.00 45.41 ? ? ? ? ? ? 206 ARG J NH2 1 +ATOM 19501 N N . HIS J 1 208 ? 19.066 96.159 81.238 1.00 22.64 ? ? ? ? ? ? 207 HIS J N 1 +ATOM 19502 C CA . HIS J 1 208 ? 18.138 95.532 82.166 1.00 22.35 ? ? ? ? ? ? 207 HIS J CA 1 +ATOM 19503 C C . HIS J 1 208 ? 17.819 94.163 81.578 1.00 24.45 ? ? ? ? ? ? 207 HIS J C 1 +ATOM 19504 O O . HIS J 1 208 ? 17.253 94.094 80.468 1.00 23.80 ? ? ? ? ? ? 207 HIS J O 1 +ATOM 19505 C CB . HIS J 1 208 ? 16.843 96.366 82.335 1.00 23.02 ? ? ? ? ? ? 207 HIS J CB 1 +ATOM 19506 C CG . HIS J 1 208 ? 17.060 97.680 83.048 1.00 23.89 ? ? ? ? ? ? 207 HIS J CG 1 +ATOM 19507 N ND1 . HIS J 1 208 ? 16.114 98.255 83.869 1.00 27.25 ? ? ? ? ? ? 207 HIS J ND1 1 +ATOM 19508 C CD2 . HIS J 1 208 ? 18.139 98.511 83.080 1.00 19.82 ? ? ? ? ? ? 207 HIS J CD2 1 +ATOM 19509 C CE1 . HIS J 1 208 ? 16.593 99.390 84.364 1.00 25.35 ? ? ? ? ? ? 207 HIS J CE1 1 +ATOM 19510 N NE2 . HIS J 1 208 ? 17.823 99.563 83.906 1.00 20.63 ? ? ? ? ? ? 207 HIS J NE2 1 +ATOM 19511 N N . TRP J 1 209 ? 18.211 93.093 82.283 1.00 24.04 ? ? ? ? ? ? 208 TRP J N 1 +ATOM 19512 C CA . TRP J 1 209 ? 18.071 91.714 81.790 1.00 24.01 ? ? ? ? ? ? 208 TRP J CA 1 +ATOM 19513 C C . TRP J 1 209 ? 16.623 91.303 81.673 1.00 25.49 ? ? ? ? ? ? 208 TRP J C 1 +ATOM 19514 O O . TRP J 1 209 ? 16.287 90.463 80.837 1.00 25.17 ? ? ? ? ? ? 208 TRP J O 1 +ATOM 19515 C CB . TRP J 1 209 ? 18.752 90.704 82.713 1.00 22.60 ? ? ? ? ? ? 208 TRP J CB 1 +ATOM 19516 C CG . TRP J 1 209 ? 19.924 89.999 82.111 1.00 23.94 ? ? ? ? ? ? 208 TRP J CG 1 +ATOM 19517 C CD1 . TRP J 1 209 ? 20.017 88.674 81.801 1.00 24.73 ? ? ? ? ? ? 208 TRP J CD1 1 +ATOM 19518 C CD2 . TRP J 1 209 ? 21.182 90.581 81.742 1.00 23.62 ? ? ? ? ? ? 208 TRP J CD2 1 +ATOM 19519 N NE1 . TRP J 1 209 ? 21.267 88.381 81.265 1.00 22.38 ? ? ? ? ? ? 208 TRP J NE1 1 +ATOM 19520 C CE2 . TRP J 1 209 ? 21.997 89.533 81.210 1.00 24.57 ? ? ? ? ? ? 208 TRP J CE2 1 +ATOM 19521 C CE3 . TRP J 1 209 ? 21.708 91.863 81.823 1.00 21.48 ? ? ? ? ? ? 208 TRP J CE3 1 +ATOM 19522 C CZ2 . TRP J 1 209 ? 23.305 89.750 80.768 1.00 24.78 ? ? ? ? ? ? 208 TRP J CZ2 1 +ATOM 19523 C CZ3 . TRP J 1 209 ? 23.011 92.078 81.380 1.00 25.24 ? ? ? ? ? ? 208 TRP J CZ3 1 +ATOM 19524 C CH2 . TRP J 1 209 ? 23.792 91.033 80.859 1.00 28.36 ? ? ? ? ? ? 208 TRP J CH2 1 +ATOM 19525 N N . ASP J 1 210 ? 15.779 91.838 82.556 1.00 25.93 ? ? ? ? ? ? 209 ASP J N 1 +ATOM 19526 C CA . ASP J 1 210 ? 14.352 91.507 82.532 1.00 28.07 ? ? ? ? ? ? 209 ASP J CA 1 +ATOM 19527 C C . ASP J 1 210 ? 13.653 92.078 81.282 1.00 29.06 ? ? ? ? ? ? 209 ASP J C 1 +ATOM 19528 O O . ASP J 1 210 ? 12.742 91.468 80.768 1.00 29.43 ? ? ? ? ? ? 209 ASP J O 1 +ATOM 19529 C CB . ASP J 1 210 ? 13.636 91.905 83.842 1.00 28.22 ? ? ? ? ? ? 209 ASP J CB 1 +ATOM 19530 C CG . ASP J 1 210 ? 13.598 93.425 84.092 1.00 30.37 ? ? ? ? ? ? 209 ASP J CG 1 +ATOM 19531 O OD1 . ASP J 1 210 ? 14.635 94.110 83.940 1.00 28.42 ? ? ? ? ? ? 209 ASP J OD1 1 +ATOM 19532 O OD2 . ASP J 1 210 ? 12.511 93.921 84.476 1.00 35.92 ? ? ? ? ? ? 209 ASP J OD2 1 +ATOM 19533 N N . LYS J 1 211 ? 14.130 93.213 80.785 1.00 29.45 ? ? ? ? ? ? 210 LYS J N 1 +ATOM 19534 C CA . LYS J 1 211 ? 13.589 93.849 79.570 1.00 29.97 ? ? ? ? ? ? 210 LYS J CA 1 +ATOM 19535 C C . LYS J 1 211 ? 14.271 93.407 78.275 1.00 29.68 ? ? ? ? ? ? 210 LYS J C 1 +ATOM 19536 O O . LYS J 1 211 ? 13.641 93.403 77.228 1.00 31.39 ? ? ? ? ? ? 210 LYS J O 1 +ATOM 19537 C CB . LYS J 1 211 ? 13.751 95.376 79.648 1.00 29.78 ? ? ? ? ? ? 210 LYS J CB 1 +ATOM 19538 C CG . LYS J 1 211 ? 13.199 96.059 80.894 1.00 34.46 ? ? ? ? ? ? 210 LYS J CG 1 +ATOM 19539 C CD . LYS J 1 211 ? 11.722 95.781 81.093 1.00 40.13 ? ? ? ? ? ? 210 LYS J CD 1 +ATOM 19540 C CE . LYS J 1 211 ? 11.090 96.807 82.046 1.00 46.24 ? ? ? ? ? ? 210 LYS J CE 1 +ATOM 19541 N NZ . LYS J 1 211 ? 11.983 97.292 83.147 1.00 48.39 ? ? ? ? ? ? 210 LYS J NZ 1 +ATOM 19542 N N . ALA J 1 212 ? 15.554 93.065 78.343 1.00 28.87 ? ? ? ? ? ? 211 ALA J N 1 +ATOM 19543 C CA . ALA J 1 212 ? 16.411 92.958 77.168 1.00 29.02 ? ? ? ? ? ? 211 ALA J CA 1 +ATOM 19544 C C . ALA J 1 212 ? 16.755 91.538 76.743 1.00 30.42 ? ? ? ? ? ? 211 ALA J C 1 +ATOM 19545 O O . ALA J 1 212 ? 17.429 91.353 75.732 1.00 32.09 ? ? ? ? ? ? 211 ALA J O 1 +ATOM 19546 C CB . ALA J 1 212 ? 17.718 93.744 77.405 1.00 28.37 ? ? ? ? ? ? 211 ALA J CB 1 +ATOM 19547 N N . THR J 1 213 ? 16.389 90.539 77.535 1.00 30.28 ? ? ? ? ? ? 212 THR J N 1 +ATOM 19548 C CA A THR J 1 213 ? 16.779 89.146 77.289 0.50 30.11 ? ? ? ? ? ? 212 THR J CA 1 +ATOM 19549 C CA B THR J 1 213 ? 16.707 89.180 77.140 0.50 30.90 ? ? ? ? ? ? 212 THR J CA 1 +ATOM 19550 C C . THR J 1 213 ? 15.591 88.233 77.537 1.00 32.15 ? ? ? ? ? ? 212 THR J C 1 +ATOM 19551 O O . THR J 1 213 ? 14.640 88.616 78.219 1.00 35.09 ? ? ? ? ? ? 212 THR J O 1 +ATOM 19552 C CB A THR J 1 213 ? 17.924 88.667 78.231 0.50 28.72 ? ? ? ? ? ? 212 THR J CB 1 +ATOM 19553 C CB B THR J 1 213 ? 18.126 88.739 77.621 0.50 30.21 ? ? ? ? ? ? 212 THR J CB 1 +ATOM 19554 O OG1 A THR J 1 213 ? 17.388 88.396 79.533 0.50 30.91 ? ? ? ? ? ? 212 THR J OG1 1 +ATOM 19555 O OG1 B THR J 1 213 ? 18.369 87.385 77.231 0.50 30.47 ? ? ? ? ? ? 212 THR J OG1 1 +ATOM 19556 C CG2 A THR J 1 213 ? 19.051 89.696 78.336 0.50 19.25 ? ? ? ? ? ? 212 THR J CG2 1 +ATOM 19557 C CG2 B THR J 1 213 ? 18.286 88.880 79.103 0.50 26.05 ? ? ? ? ? ? 212 THR J CG2 1 +ATOM 19558 N N . VAL J 1 214 ? 15.671 87.025 77.013 1.00 32.64 ? ? ? ? ? ? 213 VAL J N 1 +ATOM 19559 C CA . VAL J 1 214 ? 14.617 86.041 77.177 1.00 33.40 ? ? ? ? ? ? 213 VAL J CA 1 +ATOM 19560 C C . VAL J 1 214 ? 15.142 84.849 77.982 1.00 31.45 ? ? ? ? ? ? 213 VAL J C 1 +ATOM 19561 O O . VAL J 1 214 ? 14.487 84.388 78.908 1.00 31.81 ? ? ? ? ? ? 213 VAL J O 1 +ATOM 19562 C CB . VAL J 1 214 ? 14.092 85.588 75.771 1.00 35.76 ? ? ? ? ? ? 213 VAL J CB 1 +ATOM 19563 C CG1 . VAL J 1 214 ? 13.023 84.507 75.899 1.00 36.94 ? ? ? ? ? ? 213 VAL J CG1 1 +ATOM 19564 C CG2 . VAL J 1 214 ? 13.558 86.833 74.965 1.00 37.88 ? ? ? ? ? ? 213 VAL J CG2 1 +ATOM 19565 N N . ASP J 1 215 ? 16.332 84.367 77.631 1.00 28.80 ? ? ? ? ? ? 214 ASP J N 1 +ATOM 19566 C CA . ASP J 1 215 ? 16.889 83.161 78.265 1.00 29.01 ? ? ? ? ? ? 214 ASP J CA 1 +ATOM 19567 C C . ASP J 1 215 ? 18.113 83.447 79.144 1.00 27.00 ? ? ? ? ? ? 214 ASP J C 1 +ATOM 19568 O O . ASP J 1 215 ? 18.816 82.544 79.551 1.00 25.87 ? ? ? ? ? ? 214 ASP J O 1 +ATOM 19569 C CB . ASP J 1 215 ? 17.228 82.113 77.185 1.00 30.10 ? ? ? ? ? ? 214 ASP J CB 1 +ATOM 19570 C CG . ASP J 1 215 ? 18.144 82.648 76.085 1.00 30.93 ? ? ? ? ? ? 214 ASP J CG 1 +ATOM 19571 O OD1 . ASP J 1 215 ? 19.036 83.472 76.389 1.00 27.70 ? ? ? ? ? ? 214 ASP J OD1 1 +ATOM 19572 O OD2 . ASP J 1 215 ? 17.977 82.213 74.912 1.00 31.64 ? ? ? ? ? ? 214 ASP J OD2 1 +ATOM 19573 N N . SER J 1 216 ? 18.366 84.722 79.385 1.00 25.72 ? ? ? ? ? ? 215 SER J N 1 +ATOM 19574 C CA . SER J 1 216 ? 19.530 85.235 80.135 1.00 25.54 ? ? ? ? ? ? 215 SER J CA 1 +ATOM 19575 C C . SER J 1 216 ? 20.787 85.368 79.299 1.00 25.36 ? ? ? ? ? ? 215 SER J C 1 +ATOM 19576 O O . SER J 1 216 ? 21.766 85.901 79.785 1.00 26.80 ? ? ? ? ? ? 215 SER J O 1 +ATOM 19577 C CB . SER J 1 216 ? 19.808 84.464 81.443 1.00 23.89 ? ? ? ? ? ? 215 SER J CB 1 +ATOM 19578 O OG . SER J 1 216 ? 20.548 83.281 81.217 1.00 24.38 ? ? ? ? ? ? 215 SER J OG 1 +ATOM 19579 N N . GLY J 1 217 ? 20.774 84.917 78.048 1.00 23.85 ? ? ? ? ? ? 216 GLY J N 1 +ATOM 19580 C CA . GLY J 1 217 ? 21.918 85.100 77.189 1.00 22.55 ? ? ? ? ? ? 216 GLY J CA 1 +ATOM 19581 C C . GLY J 1 217 ? 21.820 86.378 76.398 1.00 22.52 ? ? ? ? ? ? 216 GLY J C 1 +ATOM 19582 O O . GLY J 1 217 ? 20.729 86.927 76.233 1.00 22.35 ? ? ? ? ? ? 216 GLY J O 1 +ATOM 19583 N N . VAL J 1 218 ? 22.965 86.857 75.917 1.00 23.24 ? ? ? ? ? ? 217 VAL J N 1 +ATOM 19584 C CA . VAL J 1 218 ? 23.018 87.982 75.018 1.00 23.77 ? ? ? ? ? ? 217 VAL J CA 1 +ATOM 19585 C C . VAL J 1 218 ? 23.948 87.594 73.869 1.00 24.46 ? ? ? ? ? ? 217 VAL J C 1 +ATOM 19586 O O . VAL J 1 218 ? 25.164 87.753 73.944 1.00 23.45 ? ? ? ? ? ? 217 VAL J O 1 +ATOM 19587 C CB . VAL J 1 218 ? 23.474 89.270 75.747 1.00 23.55 ? ? ? ? ? ? 217 VAL J CB 1 +ATOM 19588 C CG1 . VAL J 1 218 ? 23.250 90.518 74.854 1.00 21.01 ? ? ? ? ? ? 217 VAL J CG1 1 +ATOM 19589 C CG2 . VAL J 1 218 ? 22.713 89.442 77.096 1.00 23.12 ? ? ? ? ? ? 217 VAL J CG2 1 +ATOM 19590 N N . GLY J 1 219 ? 23.345 87.023 72.828 1.00 25.25 ? ? ? ? ? ? 218 GLY J N 1 +ATOM 19591 C CA . GLY J 1 219 ? 24.068 86.544 71.648 1.00 25.65 ? ? ? ? ? ? 218 GLY J CA 1 +ATOM 19592 C C . GLY J 1 219 ? 23.719 85.102 71.368 1.00 26.34 ? ? ? ? ? ? 218 GLY J C 1 +ATOM 19593 O O . GLY J 1 219 ? 23.581 84.319 72.313 1.00 26.21 ? ? ? ? ? ? 218 GLY J O 1 +ATOM 19594 N N . ASN J 1 220 ? 23.590 84.748 70.082 1.00 27.00 ? ? ? ? ? ? 219 ASN J N 1 +ATOM 19595 C CA . ASN J 1 220 ? 23.306 83.362 69.668 1.00 26.63 ? ? ? ? ? ? 219 ASN J CA 1 +ATOM 19596 C C . ASN J 1 220 ? 24.586 82.534 69.795 1.00 24.24 ? ? ? ? ? ? 219 ASN J C 1 +ATOM 19597 O O . ASN J 1 220 ? 25.556 82.831 69.138 1.00 24.84 ? ? ? ? ? ? 219 ASN J O 1 +ATOM 19598 C CB . ASN J 1 220 ? 22.731 83.302 68.231 1.00 26.03 ? ? ? ? ? ? 219 ASN J CB 1 +ATOM 19599 C CG . ASN J 1 220 ? 22.056 81.988 67.924 1.00 26.39 ? ? ? ? ? ? 219 ASN J CG 1 +ATOM 19600 O OD1 . ASN J 1 220 ? 22.514 80.931 68.330 1.00 28.65 ? ? ? ? ? ? 219 ASN J OD1 1 +ATOM 19601 N ND2 . ASN J 1 220 ? 20.942 82.048 67.226 1.00 27.20 ? ? ? ? ? ? 219 ASN J ND2 1 +ATOM 19602 N N . PRO J 1 221 ? 24.582 81.505 70.675 1.00 23.24 ? ? ? ? ? ? 220 PRO J N 1 +ATOM 19603 C CA . PRO J 1 221 ? 25.738 80.652 70.899 1.00 24.96 ? ? ? ? ? ? 220 PRO J CA 1 +ATOM 19604 C C . PRO J 1 221 ? 25.862 79.440 69.972 1.00 26.00 ? ? ? ? ? ? 220 PRO J C 1 +ATOM 19605 O O . PRO J 1 221 ? 26.837 78.693 70.096 1.00 24.97 ? ? ? ? ? ? 220 PRO J O 1 +ATOM 19606 C CB . PRO J 1 221 ? 25.502 80.164 72.345 1.00 24.15 ? ? ? ? ? ? 220 PRO J CB 1 +ATOM 19607 C CG . PRO J 1 221 ? 24.044 79.992 72.399 1.00 21.77 ? ? ? ? ? ? 220 PRO J CG 1 +ATOM 19608 C CD . PRO J 1 221 ? 23.469 81.108 71.549 1.00 22.26 ? ? ? ? ? ? 220 PRO J CD 1 +ATOM 19609 N N . LYS J 1 222 ? 24.927 79.257 69.049 1.00 27.22 ? ? ? ? ? ? 221 LYS J N 1 +ATOM 19610 C CA . LYS J 1 222 ? 24.738 77.945 68.408 1.00 27.13 ? ? ? ? ? ? 221 LYS J CA 1 +ATOM 19611 C C . LYS J 1 222 ? 25.756 77.497 67.355 1.00 26.87 ? ? ? ? ? ? 221 LYS J C 1 +ATOM 19612 O O . LYS J 1 222 ? 25.771 76.337 66.981 1.00 27.03 ? ? ? ? ? ? 221 LYS J O 1 +ATOM 19613 C CB . LYS J 1 222 ? 23.322 77.872 67.859 1.00 26.15 ? ? ? ? ? ? 221 LYS J CB 1 +ATOM 19614 C CG . LYS J 1 222 ? 22.290 77.807 68.983 1.00 30.75 ? ? ? ? ? ? 221 LYS J CG 1 +ATOM 19615 C CD . LYS J 1 222 ? 20.838 77.601 68.502 1.00 32.57 ? ? ? ? ? ? 221 LYS J CD 1 +ATOM 19616 C CE . LYS J 1 222 ? 19.875 77.669 69.719 1.00 35.05 ? ? ? ? ? ? 221 LYS J CE 1 +ATOM 19617 N NZ . LYS J 1 222 ? 18.443 77.586 69.339 1.00 34.04 ? ? ? ? ? ? 221 LYS J NZ 1 +ATOM 19618 N N . LYS J 1 223 ? 26.622 78.399 66.900 1.00 26.76 ? ? ? ? ? ? 222 LYS J N 1 +ATOM 19619 C CA . LYS J 1 223 ? 27.738 78.027 66.013 1.00 26.45 ? ? ? ? ? ? 222 LYS J CA 1 +ATOM 19620 C C . LYS J 1 223 ? 28.995 77.791 66.823 1.00 25.19 ? ? ? ? ? ? 222 LYS J C 1 +ATOM 19621 O O . LYS J 1 223 ? 30.093 77.685 66.271 1.00 24.51 ? ? ? ? ? ? 222 LYS J O 1 +ATOM 19622 C CB . LYS J 1 223 ? 28.015 79.106 64.929 1.00 27.69 ? ? ? ? ? ? 222 LYS J CB 1 +ATOM 19623 C CG . LYS J 1 223 ? 26.808 79.452 64.046 1.00 30.93 ? ? ? ? ? ? 222 LYS J CG 1 +ATOM 19624 C CD . LYS J 1 223 ? 26.311 78.229 63.275 1.00 41.13 ? ? ? ? ? ? 222 LYS J CD 1 +ATOM 19625 C CE . LYS J 1 223 ? 24.927 78.423 62.708 1.00 48.02 ? ? ? ? ? ? 222 LYS J CE 1 +ATOM 19626 N NZ . LYS J 1 223 ? 24.549 77.298 61.803 1.00 49.60 ? ? ? ? ? ? 222 LYS J NZ 1 +ATOM 19627 N N . ALA J 1 224 ? 28.834 77.702 68.140 1.00 24.28 ? ? ? ? ? ? 223 ALA J N 1 +ATOM 19628 C CA . ALA J 1 224 ? 29.939 77.400 69.044 1.00 23.01 ? ? ? ? ? ? 223 ALA J CA 1 +ATOM 19629 C C . ALA J 1 224 ? 30.501 75.991 68.789 1.00 22.83 ? ? ? ? ? ? 223 ALA J C 1 +ATOM 19630 O O . ALA J 1 224 ? 29.754 75.053 68.570 1.00 22.59 ? ? ? ? ? ? 223 ALA J O 1 +ATOM 19631 C CB . ALA J 1 224 ? 29.481 77.563 70.503 1.00 20.55 ? ? ? ? ? ? 223 ALA J CB 1 +ATOM 19632 N N . THR J 1 225 ? 31.829 75.879 68.776 1.00 22.50 ? ? ? ? ? ? 224 THR J N 1 +ATOM 19633 C CA . THR J 1 225 ? 32.512 74.597 68.710 1.00 22.61 ? ? ? ? ? ? 224 THR J CA 1 +ATOM 19634 C C . THR J 1 225 ? 33.732 74.564 69.655 1.00 22.10 ? ? ? ? ? ? 224 THR J C 1 +ATOM 19635 O O . THR J 1 225 ? 34.400 75.587 69.889 1.00 22.17 ? ? ? ? ? ? 224 THR J O 1 +ATOM 19636 C CB . THR J 1 225 ? 33.049 74.242 67.257 1.00 23.79 ? ? ? ? ? ? 224 THR J CB 1 +ATOM 19637 O OG1 . THR J 1 225 ? 34.175 75.070 66.920 1.00 23.49 ? ? ? ? ? ? 224 THR J OG1 1 +ATOM 19638 C CG2 . THR J 1 225 ? 31.954 74.341 66.186 1.00 20.10 ? ? ? ? ? ? 224 THR J CG2 1 +ATOM 19639 N N . ALA J 1 226 ? 34.051 73.372 70.133 1.00 21.44 ? ? ? ? ? ? 225 ALA J N 1 +ATOM 19640 C CA . ALA J 1 226 ? 35.246 73.142 70.928 1.00 21.79 ? ? ? ? ? ? 225 ALA J CA 1 +ATOM 19641 C C . ALA J 1 226 ? 36.501 73.558 70.147 1.00 24.29 ? ? ? ? ? ? 225 ALA J C 1 +ATOM 19642 O O . ALA J 1 226 ? 37.428 74.159 70.683 1.00 24.25 ? ? ? ? ? ? 225 ALA J O 1 +ATOM 19643 C CB . ALA J 1 226 ? 35.297 71.659 71.378 1.00 18.45 ? ? ? ? ? ? 225 ALA J CB 1 +ATOM 19644 N N . GLU J 1 227 ? 36.492 73.312 68.840 1.00 26.25 ? ? ? ? ? ? 226 GLU J N 1 +ATOM 19645 C CA . GLU J 1 227 ? 37.617 73.631 67.980 1.00 27.14 ? ? ? ? ? ? 226 GLU J CA 1 +ATOM 19646 C C . GLU J 1 227 ? 37.832 75.143 67.909 1.00 24.29 ? ? ? ? ? ? 226 GLU J C 1 +ATOM 19647 O O . GLU J 1 227 ? 38.971 75.609 67.998 1.00 23.81 ? ? ? ? ? ? 226 GLU J O 1 +ATOM 19648 C CB . GLU J 1 227 ? 37.389 73.038 66.570 1.00 32.03 ? ? ? ? ? ? 226 GLU J CB 1 +ATOM 19649 C CG . GLU J 1 227 ? 37.342 71.480 66.462 1.00 43.05 ? ? ? ? ? ? 226 GLU J CG 1 +ATOM 19650 C CD . GLU J 1 227 ? 36.267 70.748 67.346 1.00 51.24 ? ? ? ? ? ? 226 GLU J CD 1 +ATOM 19651 O OE1 . GLU J 1 227 ? 35.084 71.179 67.400 1.00 41.07 ? ? ? ? ? ? 226 GLU J OE1 1 +ATOM 19652 O OE2 . GLU J 1 227 ? 36.621 69.697 67.969 1.00 58.12 ? ? ? ? ? ? 226 GLU J OE2 1 +ATOM 19653 N N . LYS J 1 228 ? 36.759 75.924 67.770 1.00 23.24 ? ? ? ? ? ? 227 LYS J N 1 +ATOM 19654 C CA . LYS J 1 228 ? 36.892 77.401 67.771 1.00 23.91 ? ? ? ? ? ? 227 LYS J CA 1 +ATOM 19655 C C . LYS J 1 228 ? 37.416 77.947 69.097 1.00 23.37 ? ? ? ? ? ? 227 LYS J C 1 +ATOM 19656 O O . LYS J 1 228 ? 38.172 78.910 69.135 1.00 23.73 ? ? ? ? ? ? 227 LYS J O 1 +ATOM 19657 C CB . LYS J 1 228 ? 35.543 78.090 67.506 1.00 23.94 ? ? ? ? ? ? 227 LYS J CB 1 +ATOM 19658 C CG . LYS J 1 228 ? 35.066 78.097 66.058 1.00 26.94 ? ? ? ? ? ? 227 LYS J CG 1 +ATOM 19659 C CD . LYS J 1 228 ? 33.587 78.563 66.052 1.00 26.61 ? ? ? ? ? ? 227 LYS J CD 1 +ATOM 19660 C CE . LYS J 1 228 ? 33.026 78.724 64.696 1.00 27.09 ? ? ? ? ? ? 227 LYS J CE 1 +ATOM 19661 N NZ . LYS J 1 228 ? 31.650 79.231 64.804 1.00 24.07 ? ? ? ? ? ? 227 LYS J NZ 1 +ATOM 19662 N N . GLY J 1 229 ? 36.967 77.336 70.192 1.00 23.91 ? ? ? ? ? ? 228 GLY J N 1 +ATOM 19663 C CA . GLY J 1 229 ? 37.426 77.689 71.543 1.00 23.23 ? ? ? ? ? ? 228 GLY J CA 1 +ATOM 19664 C C . GLY J 1 229 ? 38.906 77.523 71.760 1.00 23.61 ? ? ? ? ? ? 228 GLY J C 1 +ATOM 19665 O O . GLY J 1 229 ? 39.562 78.395 72.311 1.00 23.65 ? ? ? ? ? ? 228 GLY J O 1 +ATOM 19666 N N . GLU J 1 230 ? 39.412 76.377 71.317 1.00 25.27 ? ? ? ? ? ? 229 GLU J N 1 +ATOM 19667 C CA . GLU J 1 230 ? 40.843 76.065 71.308 1.00 26.85 ? ? ? ? ? ? 229 GLU J CA 1 +ATOM 19668 C C . GLU J 1 230 ? 41.674 77.043 70.497 1.00 25.49 ? ? ? ? ? ? 229 GLU J C 1 +ATOM 19669 O O . GLU J 1 230 ? 42.777 77.435 70.915 1.00 25.14 ? ? ? ? ? ? 229 GLU J O 1 +ATOM 19670 C CB . GLU J 1 230 ? 41.049 74.660 70.737 1.00 27.03 ? ? ? ? ? ? 229 GLU J CB 1 +ATOM 19671 C CG . GLU J 1 230 ? 42.498 74.202 70.766 1.00 33.04 ? ? ? ? ? ? 229 GLU J CG 1 +ATOM 19672 C CD . GLU J 1 230 ? 42.657 72.779 70.306 1.00 34.69 ? ? ? ? ? ? 229 GLU J CD 1 +ATOM 19673 O OE1 . GLU J 1 230 ? 42.030 72.402 69.294 1.00 46.96 ? ? ? ? ? ? 229 GLU J OE1 1 +ATOM 19674 O OE2 . GLU J 1 230 ? 43.421 72.040 70.956 1.00 50.67 ? ? ? ? ? ? 229 GLU J OE2 1 +ATOM 19675 N N . ARG J 1 231 ? 41.158 77.425 69.329 1.00 25.44 ? ? ? ? ? ? 230 ARG J N 1 +ATOM 19676 C CA . ARG J 1 231 ? 41.872 78.351 68.447 1.00 29.80 ? ? ? ? ? ? 230 ARG J CA 1 +ATOM 19677 C C . ARG J 1 231 ? 41.964 79.729 69.043 1.00 25.10 ? ? ? ? ? ? 230 ARG J C 1 +ATOM 19678 O O . ARG J 1 231 ? 42.998 80.392 68.917 1.00 25.91 ? ? ? ? ? ? 230 ARG J O 1 +ATOM 19679 C CB . ARG J 1 231 ? 41.235 78.436 67.052 1.00 30.21 ? ? ? ? ? ? 230 ARG J CB 1 +ATOM 19680 C CG . ARG J 1 231 ? 41.400 77.146 66.210 1.00 41.72 ? ? ? ? ? ? 230 ARG J CG 1 +ATOM 19681 C CD . ARG J 1 231 ? 41.015 77.298 64.688 1.00 42.83 ? ? ? ? ? ? 230 ARG J CD 1 +ATOM 19682 N NE . ARG J 1 231 ? 39.670 77.866 64.463 1.00 57.19 ? ? ? ? ? ? 230 ARG J NE 1 +ATOM 19683 C CZ . ARG J 1 231 ? 39.404 79.142 64.128 1.00 61.30 ? ? ? ? ? ? 230 ARG J CZ 1 +ATOM 19684 N NH1 . ARG J 1 231 ? 40.380 80.049 63.957 1.00 61.39 ? ? ? ? ? ? 230 ARG J NH1 1 +ATOM 19685 N NH2 . ARG J 1 231 ? 38.131 79.520 63.962 1.00 54.17 ? ? ? ? ? ? 230 ARG J NH2 1 +ATOM 19686 N N . TYR J 1 232 ? 40.881 80.171 69.669 1.00 23.13 ? ? ? ? ? ? 231 TYR J N 1 +ATOM 19687 C CA . TYR J 1 232 ? 40.836 81.474 70.321 1.00 22.85 ? ? ? ? ? ? 231 TYR J CA 1 +ATOM 19688 C C . TYR J 1 232 ? 41.712 81.502 71.560 1.00 22.25 ? ? ? ? ? ? 231 TYR J C 1 +ATOM 19689 O O . TYR J 1 232 ? 42.448 82.461 71.765 1.00 25.00 ? ? ? ? ? ? 231 TYR J O 1 +ATOM 19690 C CB . TYR J 1 232 ? 39.401 81.798 70.709 1.00 24.24 ? ? ? ? ? ? 231 TYR J CB 1 +ATOM 19691 C CG . TYR J 1 232 ? 39.122 83.167 71.265 1.00 24.11 ? ? ? ? ? ? 231 TYR J CG 1 +ATOM 19692 C CD1 . TYR J 1 232 ? 39.688 84.288 70.715 1.00 24.90 ? ? ? ? ? ? 231 TYR J CD1 1 +ATOM 19693 C CD2 . TYR J 1 232 ? 38.206 83.340 72.303 1.00 21.10 ? ? ? ? ? ? 231 TYR J CD2 1 +ATOM 19694 C CE1 . TYR J 1 232 ? 39.412 85.532 71.213 1.00 22.54 ? ? ? ? ? ? 231 TYR J CE1 1 +ATOM 19695 C CE2 . TYR J 1 232 ? 37.918 84.588 72.791 1.00 21.25 ? ? ? ? ? ? 231 TYR J CE2 1 +ATOM 19696 C CZ . TYR J 1 232 ? 38.533 85.675 72.233 1.00 20.47 ? ? ? ? ? ? 231 TYR J CZ 1 +ATOM 19697 O OH . TYR J 1 232 ? 38.275 86.933 72.694 1.00 23.42 ? ? ? ? ? ? 231 TYR J OH 1 +ATOM 19698 N N . VAL J 1 233 ? 41.659 80.476 72.397 1.00 22.83 ? ? ? ? ? ? 232 VAL J N 1 +ATOM 19699 C CA . VAL J 1 233 ? 42.402 80.574 73.674 1.00 22.72 ? ? ? ? ? ? 232 VAL J CA 1 +ATOM 19700 C C . VAL J 1 233 ? 43.913 80.509 73.480 1.00 23.42 ? ? ? ? ? ? 232 VAL J C 1 +ATOM 19701 O O . VAL J 1 233 ? 44.640 81.020 74.322 1.00 23.62 ? ? ? ? ? ? 232 VAL J O 1 +ATOM 19702 C CB . VAL J 1 233 ? 41.926 79.549 74.787 1.00 24.44 ? ? ? ? ? ? 232 VAL J CB 1 +ATOM 19703 C CG1 . VAL J 1 233 ? 40.428 79.680 75.061 1.00 23.14 ? ? ? ? ? ? 232 VAL J CG1 1 +ATOM 19704 C CG2 . VAL J 1 233 ? 42.235 78.158 74.424 1.00 23.88 ? ? ? ? ? ? 232 VAL J CG2 1 +ATOM 19705 N N . LYS J 1 234 ? 44.378 79.951 72.355 1.00 24.03 ? ? ? ? ? ? 233 LYS J N 1 +ATOM 19706 C CA . LYS J 1 234 ? 45.839 79.825 72.072 1.00 27.62 ? ? ? ? ? ? 233 LYS J CA 1 +ATOM 19707 C C . LYS J 1 234 ? 46.623 81.143 72.146 1.00 23.18 ? ? ? ? ? ? 233 LYS J C 1 +ATOM 19708 O O . LYS J 1 234 ? 47.599 81.235 72.923 1.00 24.15 ? ? ? ? ? ? 233 LYS J O 1 +ATOM 19709 C CB . LYS J 1 234 ? 46.137 79.107 70.731 1.00 28.73 ? ? ? ? ? ? 233 LYS J CB 1 +ATOM 19710 C CG . LYS J 1 234 ? 47.610 78.640 70.617 1.00 29.97 ? ? ? ? ? ? 233 LYS J CG 1 +ATOM 19711 C CD . LYS J 1 234 ? 47.874 77.755 69.361 1.00 35.26 ? ? ? ? ? ? 233 LYS J CD 1 +ATOM 19712 C CE . LYS J 1 234 ? 49.140 78.187 68.606 1.00 48.69 ? ? ? ? ? ? 233 LYS J CE 1 +ATOM 19713 N NZ . LYS J 1 234 ? 49.069 77.810 67.150 1.00 57.82 ? ? ? ? ? ? 233 LYS J NZ 1 +ATOM 19714 N N . PRO J 1 235 ? 46.230 82.162 71.348 1.00 22.16 ? ? ? ? ? ? 234 PRO J N 1 +ATOM 19715 C CA . PRO J 1 235 ? 46.920 83.443 71.491 1.00 22.25 ? ? ? ? ? ? 234 PRO J CA 1 +ATOM 19716 C C . PRO J 1 235 ? 46.638 84.197 72.809 1.00 21.16 ? ? ? ? ? ? 234 PRO J C 1 +ATOM 19717 O O . PRO J 1 235 ? 47.477 84.996 73.240 1.00 21.49 ? ? ? ? ? ? 234 PRO J O 1 +ATOM 19718 C CB . PRO J 1 235 ? 46.409 84.248 70.283 1.00 22.74 ? ? ? ? ? ? 234 PRO J CB 1 +ATOM 19719 C CG . PRO J 1 235 ? 45.058 83.711 70.036 1.00 20.94 ? ? ? ? ? ? 234 PRO J CG 1 +ATOM 19720 C CD . PRO J 1 235 ? 45.193 82.231 70.296 1.00 23.94 ? ? ? ? ? ? 234 PRO J CD 1 +ATOM 19721 N N . ILE J 1 236 ? 45.493 83.972 73.448 1.00 21.54 ? ? ? ? ? ? 235 ILE J N 1 +ATOM 19722 C CA . ILE J 1 236 ? 45.223 84.610 74.743 1.00 20.67 ? ? ? ? ? ? 235 ILE J CA 1 +ATOM 19723 C C . ILE J 1 236 ? 46.219 84.086 75.773 1.00 20.67 ? ? ? ? ? ? 235 ILE J C 1 +ATOM 19724 O O . ILE J 1 236 ? 46.866 84.870 76.464 1.00 22.63 ? ? ? ? ? ? 235 ILE J O 1 +ATOM 19725 C CB . ILE J 1 236 ? 43.773 84.358 75.251 1.00 21.81 ? ? ? ? ? ? 235 ILE J CB 1 +ATOM 19726 C CG1 . ILE J 1 236 ? 42.733 84.948 74.279 1.00 19.83 ? ? ? ? ? ? 235 ILE J CG1 1 +ATOM 19727 C CG2 . ILE J 1 236 ? 43.587 84.932 76.669 1.00 20.07 ? ? ? ? ? ? 235 ILE J CG2 1 +ATOM 19728 C CD1 . ILE J 1 236 ? 41.311 84.436 74.546 1.00 17.85 ? ? ? ? ? ? 235 ILE J CD1 1 +ATOM 19729 N N . VAL J 1 237 ? 46.346 82.768 75.861 1.00 20.49 ? ? ? ? ? ? 236 VAL J N 1 +ATOM 19730 C CA . VAL J 1 237 ? 47.329 82.119 76.748 1.00 20.44 ? ? ? ? ? ? 236 VAL J CA 1 +ATOM 19731 C C . VAL J 1 237 ? 48.751 82.629 76.476 1.00 21.97 ? ? ? ? ? ? 236 VAL J C 1 +ATOM 19732 O O . VAL J 1 237 ? 49.568 82.869 77.397 1.00 22.41 ? ? ? ? ? ? 236 VAL J O 1 +ATOM 19733 C CB . VAL J 1 237 ? 47.309 80.610 76.524 1.00 21.63 ? ? ? ? ? ? 236 VAL J CB 1 +ATOM 19734 C CG1 . VAL J 1 237 ? 48.516 79.902 77.193 1.00 18.86 ? ? ? ? ? ? 236 VAL J CG1 1 +ATOM 19735 C CG2 . VAL J 1 237 ? 46.047 80.051 77.013 1.00 20.81 ? ? ? ? ? ? 236 VAL J CG2 1 +ATOM 19736 N N . GLU J 1 238 ? 49.078 82.767 75.198 1.00 23.20 ? ? ? ? ? ? 237 GLU J N 1 +ATOM 19737 C CA . GLU J 1 238 ? 50.443 83.124 74.819 1.00 23.14 ? ? ? ? ? ? 237 GLU J CA 1 +ATOM 19738 C C . GLU J 1 238 ? 50.728 84.543 75.280 1.00 21.98 ? ? ? ? ? ? 237 GLU J C 1 +ATOM 19739 O O . GLU J 1 238 ? 51.796 84.817 75.860 1.00 22.05 ? ? ? ? ? ? 237 GLU J O 1 +ATOM 19740 C CB . GLU J 1 238 ? 50.650 82.945 73.316 1.00 24.97 ? ? ? ? ? ? 237 GLU J CB 1 +ATOM 19741 C CG . GLU J 1 238 ? 52.105 83.008 72.843 1.00 33.64 ? ? ? ? ? ? 237 GLU J CG 1 +ATOM 19742 C CD . GLU J 1 238 ? 52.692 84.425 72.857 1.00 38.65 ? ? ? ? ? ? 237 GLU J CD 1 +ATOM 19743 O OE1 . GLU J 1 238 ? 51.971 85.365 72.428 1.00 44.84 ? ? ? ? ? ? 237 GLU J OE1 1 +ATOM 19744 O OE2 . GLU J 1 238 ? 53.859 84.601 73.295 1.00 37.41 ? ? ? ? ? ? 237 GLU J OE2 1 +ATOM 19745 N N . LYS J 1 239 ? 49.767 85.436 75.053 1.00 22.25 ? ? ? ? ? ? 238 LYS J N 1 +ATOM 19746 C CA . LYS J 1 239 ? 49.897 86.844 75.472 1.00 23.64 ? ? ? ? ? ? 238 LYS J CA 1 +ATOM 19747 C C . LYS J 1 239 ? 49.909 87.036 76.981 1.00 22.31 ? ? ? ? ? ? 238 LYS J C 1 +ATOM 19748 O O . LYS J 1 239 ? 50.562 87.937 77.459 1.00 22.12 ? ? ? ? ? ? 238 LYS J O 1 +ATOM 19749 C CB . LYS J 1 239 ? 48.769 87.712 74.902 1.00 25.25 ? ? ? ? ? ? 238 LYS J CB 1 +ATOM 19750 C CG . LYS J 1 239 ? 48.998 88.243 73.495 1.00 29.34 ? ? ? ? ? ? 238 LYS J CG 1 +ATOM 19751 C CD . LYS J 1 239 ? 47.928 89.278 73.140 1.00 33.43 ? ? ? ? ? ? 238 LYS J CD 1 +ATOM 19752 C CE . LYS J 1 239 ? 48.142 89.875 71.744 1.00 45.45 ? ? ? ? ? ? 238 LYS J CE 1 +ATOM 19753 N NZ . LYS J 1 239 ? 48.440 88.823 70.722 1.00 47.59 ? ? ? ? ? ? 238 LYS J NZ 1 +ATOM 19754 N N . LEU J 1 240 ? 49.114 86.239 77.706 1.00 22.37 ? ? ? ? ? ? 239 LEU J N 1 +ATOM 19755 C CA . LEU J 1 240 ? 49.066 86.295 79.186 1.00 21.31 ? ? ? ? ? ? 239 LEU J CA 1 +ATOM 19756 C C . LEU J 1 240 ? 50.363 85.759 79.763 1.00 20.92 ? ? ? ? ? ? 239 LEU J C 1 +ATOM 19757 O O . LEU J 1 240 ? 50.925 86.409 80.631 1.00 20.79 ? ? ? ? ? ? 239 LEU J O 1 +ATOM 19758 C CB . LEU J 1 240 ? 47.844 85.541 79.777 1.00 20.73 ? ? ? ? ? ? 239 LEU J CB 1 +ATOM 19759 C CG . LEU J 1 240 ? 46.506 86.300 79.643 1.00 21.08 ? ? ? ? ? ? 239 LEU J CG 1 +ATOM 19760 C CD1 . LEU J 1 240 ? 45.353 85.405 80.000 1.00 16.54 ? ? ? ? ? ? 239 LEU J CD1 1 +ATOM 19761 C CD2 . LEU J 1 240 ? 46.463 87.647 80.416 1.00 20.58 ? ? ? ? ? ? 239 LEU J CD2 1 +ATOM 19762 N N . ALA J 1 241 ? 50.876 84.640 79.224 1.00 21.20 ? ? ? ? ? ? 240 ALA J N 1 +ATOM 19763 C CA . ALA J 1 241 ? 52.199 84.091 79.624 1.00 20.39 ? ? ? ? ? ? 240 ALA J CA 1 +ATOM 19764 C C . ALA J 1 241 ? 53.307 85.113 79.491 1.00 20.71 ? ? ? ? ? ? 240 ALA J C 1 +ATOM 19765 O O . ALA J 1 241 ? 54.202 85.187 80.350 1.00 22.73 ? ? ? ? ? ? 240 ALA J O 1 +ATOM 19766 C CB . ALA J 1 241 ? 52.545 82.831 78.813 1.00 18.69 ? ? ? ? ? ? 240 ALA J CB 1 +ATOM 19767 N N . GLY J 1 242 ? 53.264 85.870 78.393 1.00 21.02 ? ? ? ? ? ? 241 GLY J N 1 +ATOM 19768 C CA . GLY J 1 242 ? 54.190 86.959 78.140 1.00 21.31 ? ? ? ? ? ? 241 GLY J CA 1 +ATOM 19769 C C . GLY J 1 242 ? 54.112 88.081 79.159 1.00 22.03 ? ? ? ? ? ? 241 GLY J C 1 +ATOM 19770 O O . GLY J 1 242 ? 55.152 88.609 79.596 1.00 21.83 ? ? ? ? ? ? 241 GLY J O 1 +ATOM 19771 N N . LEU J 1 243 ? 52.887 88.479 79.516 1.00 21.30 ? ? ? ? ? ? 242 LEU J N 1 +ATOM 19772 C CA . LEU J 1 243 ? 52.674 89.453 80.600 1.00 21.04 ? ? ? ? ? ? 242 LEU J CA 1 +ATOM 19773 C C . LEU J 1 243 ? 53.228 88.956 81.919 1.00 21.68 ? ? ? ? ? ? 242 LEU J C 1 +ATOM 19774 O O . LEU J 1 243 ? 53.918 89.705 82.643 1.00 21.07 ? ? ? ? ? ? 242 LEU J O 1 +ATOM 19775 C CB . LEU J 1 243 ? 51.190 89.708 80.787 1.00 22.42 ? ? ? ? ? ? 242 LEU J CB 1 +ATOM 19776 C CG . LEU J 1 243 ? 50.732 90.625 81.906 1.00 21.39 ? ? ? ? ? ? 242 LEU J CG 1 +ATOM 19777 C CD1 . LEU J 1 243 ? 51.232 92.022 81.668 1.00 19.73 ? ? ? ? ? ? 242 LEU J CD1 1 +ATOM 19778 C CD2 . LEU J 1 243 ? 49.192 90.516 81.990 1.00 20.90 ? ? ? ? ? ? 242 LEU J CD2 1 +ATOM 19779 N N . PHE J 1 244 ? 52.921 87.702 82.239 1.00 22.50 ? ? ? ? ? ? 243 PHE J N 1 +ATOM 19780 C CA . PHE J 1 244 ? 53.369 87.131 83.525 1.00 23.62 ? ? ? ? ? ? 243 PHE J CA 1 +ATOM 19781 C C . PHE J 1 244 ? 54.897 87.260 83.593 1.00 23.94 ? ? ? ? ? ? 243 PHE J C 1 +ATOM 19782 O O . PHE J 1 244 ? 55.422 87.800 84.568 1.00 25.17 ? ? ? ? ? ? 243 PHE J O 1 +ATOM 19783 C CB . PHE J 1 244 ? 52.983 85.643 83.713 1.00 23.36 ? ? ? ? ? ? 243 PHE J CB 1 +ATOM 19784 C CG . PHE J 1 244 ? 51.493 85.333 83.709 1.00 23.22 ? ? ? ? ? ? 243 PHE J CG 1 +ATOM 19785 C CD1 . PHE J 1 244 ? 50.526 86.302 83.643 1.00 24.72 ? ? ? ? ? ? 243 PHE J CD1 1 +ATOM 19786 C CD2 . PHE J 1 244 ? 51.085 84.019 83.816 1.00 23.35 ? ? ? ? ? ? 243 PHE J CD2 1 +ATOM 19787 C CE1 . PHE J 1 244 ? 49.196 85.948 83.649 1.00 25.01 ? ? ? ? ? ? 243 PHE J CE1 1 +ATOM 19788 C CE2 . PHE J 1 244 ? 49.747 83.676 83.833 1.00 23.68 ? ? ? ? ? ? 243 PHE J CE2 1 +ATOM 19789 C CZ . PHE J 1 244 ? 48.812 84.635 83.752 1.00 21.48 ? ? ? ? ? ? 243 PHE J CZ 1 +ATOM 19790 N N . GLU J 1 245 ? 55.576 86.780 82.541 1.00 23.96 ? ? ? ? ? ? 244 GLU J N 1 +ATOM 19791 C CA . GLU J 1 245 ? 57.030 86.855 82.410 1.00 24.57 ? ? ? ? ? ? 244 GLU J CA 1 +ATOM 19792 C C . GLU J 1 245 ? 57.571 88.244 82.595 1.00 24.22 ? ? ? ? ? ? 244 GLU J C 1 +ATOM 19793 O O . GLU J 1 245 ? 58.524 88.444 83.372 1.00 25.58 ? ? ? ? ? ? 244 GLU J O 1 +ATOM 19794 C CB . GLU J 1 245 ? 57.477 86.311 81.036 1.00 25.89 ? ? ? ? ? ? 244 GLU J CB 1 +ATOM 19795 C CG . GLU J 1 245 ? 57.364 84.791 80.937 1.00 26.77 ? ? ? ? ? ? 244 GLU J CG 1 +ATOM 19796 C CD . GLU J 1 245 ? 57.317 84.260 79.506 1.00 29.47 ? ? ? ? ? ? 244 GLU J CD 1 +ATOM 19797 O OE1 . GLU J 1 245 ? 57.168 85.046 78.543 1.00 33.29 ? ? ? ? ? ? 244 GLU J OE1 1 +ATOM 19798 O OE2 . GLU J 1 245 ? 57.430 83.030 79.355 1.00 34.52 ? ? ? ? ? ? 244 GLU J OE2 1 +ATOM 19799 N N . GLU J 1 246 ? 57.005 89.198 81.858 1.00 24.63 ? ? ? ? ? ? 245 GLU J N 1 +ATOM 19800 C CA . GLU J 1 246 ? 57.468 90.594 81.897 1.00 25.31 ? ? ? ? ? ? 245 GLU J CA 1 +ATOM 19801 C C . GLU J 1 246 ? 57.224 91.184 83.267 1.00 25.98 ? ? ? ? ? ? 245 GLU J C 1 +ATOM 19802 O O . GLU J 1 246 ? 58.063 91.885 83.778 1.00 27.10 ? ? ? ? ? ? 245 GLU J O 1 +ATOM 19803 C CB . GLU J 1 246 ? 56.778 91.457 80.819 1.00 25.57 ? ? ? ? ? ? 245 GLU J CB 1 +ATOM 19804 C CG . GLU J 1 246 ? 57.168 91.102 79.328 1.00 26.34 ? ? ? ? ? ? 245 GLU J CG 1 +ATOM 19805 C CD . GLU J 1 246 ? 56.152 91.611 78.247 1.00 28.82 ? ? ? ? ? ? 245 GLU J CD 1 +ATOM 19806 O OE1 . GLU J 1 246 ? 55.100 92.207 78.582 1.00 29.76 ? ? ? ? ? ? 245 GLU J OE1 1 +ATOM 19807 O OE2 . GLU J 1 246 ? 56.410 91.417 77.030 1.00 35.99 ? ? ? ? ? ? 245 GLU J OE2 1 +ATOM 19808 N N . MSE J 1 247 ? 56.065 90.913 83.866 1.00 26.43 ? ? ? ? ? ? 246 MSE J N 1 +ATOM 19809 C CA . MSE J 1 247 ? 55.793 91.376 85.240 1.00 26.44 ? ? ? ? ? ? 246 MSE J CA 1 +ATOM 19810 C C . MSE J 1 247 ? 56.809 90.860 86.234 1.00 28.20 ? ? ? ? ? ? 246 MSE J C 1 +ATOM 19811 O O . MSE J 1 247 ? 57.162 91.571 87.136 1.00 28.93 ? ? ? ? ? ? 246 MSE J O 1 +ATOM 19812 C CB . MSE J 1 247 ? 54.398 90.951 85.698 1.00 27.69 ? ? ? ? ? ? 246 MSE J CB 1 +ATOM 19813 C CG . MSE J 1 247 ? 53.280 91.751 85.072 1.00 28.00 ? ? ? ? ? ? 246 MSE J CG 1 +ATOM 19814 SE SE . MSE J 1 247 ? 51.547 91.112 85.657 0.75 29.70 ? ? ? ? ? ? 246 MSE J SE 1 +ATOM 19815 C CE . MSE J 1 247 ? 51.480 92.080 87.450 1.00 20.34 ? ? ? ? ? ? 246 MSE J CE 1 +ATOM 19816 N N . ALA J 1 248 ? 57.269 89.618 86.062 1.00 30.02 ? ? ? ? ? ? 247 ALA J N 1 +ATOM 19817 C CA . ALA J 1 248 ? 58.268 88.991 86.934 1.00 30.57 ? ? ? ? ? ? 247 ALA J CA 1 +ATOM 19818 C C . ALA J 1 248 ? 59.657 89.526 86.679 1.00 30.70 ? ? ? ? ? ? 247 ALA J C 1 +ATOM 19819 O O . ALA J 1 248 ? 60.480 89.555 87.591 1.00 31.35 ? ? ? ? ? ? 247 ALA J O 1 +ATOM 19820 C CB . ALA J 1 248 ? 58.268 87.443 86.756 1.00 27.66 ? ? ? ? ? ? 247 ALA J CB 1 +ATOM 19821 N N . GLN J 1 249 ? 59.927 89.918 85.444 1.00 30.37 ? ? ? ? ? ? 248 GLN J N 1 +ATOM 19822 C CA . GLN J 1 249 ? 61.297 90.268 85.044 1.00 33.44 ? ? ? ? ? ? 248 GLN J CA 1 +ATOM 19823 C C . GLN J 1 249 ? 61.600 91.759 84.967 1.00 33.52 ? ? ? ? ? ? 248 GLN J C 1 +ATOM 19824 O O . GLN J 1 249 ? 62.779 92.130 84.870 1.00 34.60 ? ? ? ? ? ? 248 GLN J O 1 +ATOM 19825 C CB . GLN J 1 249 ? 61.632 89.615 83.696 1.00 33.42 ? ? ? ? ? ? 248 GLN J CB 1 +ATOM 19826 C CG . GLN J 1 249 ? 61.785 88.121 83.789 1.00 37.15 ? ? ? ? ? ? 248 GLN J CG 1 +ATOM 19827 C CD . GLN J 1 249 ? 61.708 87.418 82.449 1.00 38.85 ? ? ? ? ? ? 248 GLN J CD 1 +ATOM 19828 O OE1 . GLN J 1 249 ? 61.542 88.047 81.395 1.00 43.93 ? ? ? ? ? ? 248 GLN J OE1 1 +ATOM 19829 N NE2 . GLN J 1 249 ? 61.817 86.088 82.488 1.00 42.13 ? ? ? ? ? ? 248 GLN J NE2 1 +ATOM 19830 N N . HIS J 1 250 ? 60.566 92.603 84.985 1.00 32.94 ? ? ? ? ? ? 249 HIS J N 1 +ATOM 19831 C CA . HIS J 1 250 ? 60.759 94.060 84.972 1.00 32.97 ? ? ? ? ? ? 249 HIS J CA 1 +ATOM 19832 C C . HIS J 1 250 ? 60.071 94.763 86.116 1.00 32.36 ? ? ? ? ? ? 249 HIS J C 1 +ATOM 19833 O O . HIS J 1 250 ? 59.027 94.316 86.598 1.00 33.33 ? ? ? ? ? ? 249 HIS J O 1 +ATOM 19834 C CB . HIS J 1 250 ? 60.240 94.660 83.660 1.00 34.33 ? ? ? ? ? ? 249 HIS J CB 1 +ATOM 19835 C CG . HIS J 1 250 ? 60.892 94.089 82.443 1.00 35.50 ? ? ? ? ? ? 249 HIS J CG 1 +ATOM 19836 N ND1 . HIS J 1 250 ? 62.018 94.642 81.877 1.00 39.94 ? ? ? ? ? ? 249 HIS J ND1 1 +ATOM 19837 C CD2 . HIS J 1 250 ? 60.588 93.001 81.693 1.00 38.96 ? ? ? ? ? ? 249 HIS J CD2 1 +ATOM 19838 C CE1 . HIS J 1 250 ? 62.387 93.914 80.834 1.00 41.20 ? ? ? ? ? ? 249 HIS J CE1 1 +ATOM 19839 N NE2 . HIS J 1 250 ? 61.538 92.911 80.701 1.00 39.06 ? ? ? ? ? ? 249 HIS J NE2 1 +ATOM 19840 N N . ASP J 1 251 ? 60.652 95.879 86.544 1.00 32.09 ? ? ? ? ? ? 250 ASP J N 1 +ATOM 19841 C CA . ASP J 1 251 ? 59.932 96.885 87.328 1.00 31.58 ? ? ? ? ? ? 250 ASP J CA 1 +ATOM 19842 C C . ASP J 1 251 ? 58.944 97.565 86.393 1.00 28.37 ? ? ? ? ? ? 250 ASP J C 1 +ATOM 19843 O O . ASP J 1 251 ? 59.125 97.547 85.182 1.00 27.61 ? ? ? ? ? ? 250 ASP J O 1 +ATOM 19844 C CB . ASP J 1 251 ? 60.894 97.951 87.881 1.00 33.30 ? ? ? ? ? ? 250 ASP J CB 1 +ATOM 19845 C CG . ASP J 1 251 ? 61.762 97.436 89.022 1.00 40.68 ? ? ? ? ? ? 250 ASP J CG 1 +ATOM 19846 O OD1 . ASP J 1 251 ? 61.555 96.289 89.530 1.00 40.71 ? ? ? ? ? ? 250 ASP J OD1 1 +ATOM 19847 O OD2 . ASP J 1 251 ? 62.645 98.221 89.415 1.00 49.00 ? ? ? ? ? ? 250 ASP J OD2 1 +ATOM 19848 N N . LEU J 1 252 ? 57.923 98.187 86.958 1.00 26.43 ? ? ? ? ? ? 251 LEU J N 1 +ATOM 19849 C CA . LEU J 1 252 ? 56.910 98.859 86.150 1.00 26.03 ? ? ? ? ? ? 251 LEU J CA 1 +ATOM 19850 C C . LEU J 1 252 ? 57.516 99.928 85.216 1.00 26.00 ? ? ? ? ? ? 251 LEU J C 1 +ATOM 19851 O O . LEU J 1 252 ? 57.138 100.036 84.048 1.00 24.84 ? ? ? ? ? ? 251 LEU J O 1 +ATOM 19852 C CB . LEU J 1 252 ? 55.871 99.486 87.066 1.00 26.11 ? ? ? ? ? ? 251 LEU J CB 1 +ATOM 19853 C CG . LEU J 1 252 ? 54.614 100.043 86.429 1.00 24.35 ? ? ? ? ? ? 251 LEU J CG 1 +ATOM 19854 C CD1 . LEU J 1 252 ? 53.810 98.976 85.620 1.00 18.80 ? ? ? ? ? ? 251 LEU J CD1 1 +ATOM 19855 C CD2 . LEU J 1 252 ? 53.818 100.656 87.544 1.00 21.49 ? ? ? ? ? ? 251 LEU J CD2 1 +ATOM 19856 N N . TYR J 1 253 ? 58.436 100.715 85.749 1.00 27.18 ? ? ? ? ? ? 252 TYR J N 1 +ATOM 19857 C CA . TYR J 1 253 ? 59.180 101.707 84.998 1.00 28.27 ? ? ? ? ? ? 252 TYR J CA 1 +ATOM 19858 C C . TYR J 1 253 ? 60.639 101.410 85.232 1.00 31.82 ? ? ? ? ? ? 252 TYR J C 1 +ATOM 19859 O O . TYR J 1 253 ? 61.033 100.988 86.336 1.00 31.73 ? ? ? ? ? ? 252 TYR J O 1 +ATOM 19860 C CB . TYR J 1 253 ? 58.870 103.118 85.497 1.00 26.88 ? ? ? ? ? ? 252 TYR J CB 1 +ATOM 19861 C CG . TYR J 1 253 ? 57.475 103.584 85.197 1.00 26.82 ? ? ? ? ? ? 252 TYR J CG 1 +ATOM 19862 C CD1 . TYR J 1 253 ? 57.172 104.177 83.978 1.00 26.41 ? ? ? ? ? ? 252 TYR J CD1 1 +ATOM 19863 C CD2 . TYR J 1 253 ? 56.448 103.432 86.130 1.00 25.18 ? ? ? ? ? ? 252 TYR J CD2 1 +ATOM 19864 C CE1 . TYR J 1 253 ? 55.901 104.593 83.688 1.00 26.68 ? ? ? ? ? ? 252 TYR J CE1 1 +ATOM 19865 C CE2 . TYR J 1 253 ? 55.160 103.845 85.844 1.00 23.69 ? ? ? ? ? ? 252 TYR J CE2 1 +ATOM 19866 C CZ . TYR J 1 253 ? 54.898 104.433 84.615 1.00 26.30 ? ? ? ? ? ? 252 TYR J CZ 1 +ATOM 19867 O OH . TYR J 1 253 ? 53.637 104.871 84.296 1.00 27.93 ? ? ? ? ? ? 252 TYR J OH 1 +ATOM 19868 N N . GLU J 1 254 ? 61.450 101.617 84.197 1.00 37.01 ? ? ? ? ? ? 253 GLU J N 1 +ATOM 19869 C CA . GLU J 1 254 ? 62.882 101.339 84.274 1.00 42.53 ? ? ? ? ? ? 253 GLU J CA 1 +ATOM 19870 C C . GLU J 1 254 ? 63.696 102.443 83.583 1.00 44.54 ? ? ? ? ? ? 253 GLU J C 1 +ATOM 19871 O O . GLU J 1 254 ? 63.174 103.445 83.075 1.00 46.07 ? ? ? ? ? ? 253 GLU J O 1 +ATOM 19872 C CB . GLU J 1 254 ? 63.190 99.950 83.687 1.00 43.21 ? ? ? ? ? ? 253 GLU J CB 1 +ATOM 19873 C CG . GLU J 1 254 ? 62.646 98.794 84.540 1.00 42.65 ? ? ? ? ? ? 253 GLU J CG 1 +ATOM 19874 C CD . GLU J 1 254 ? 63.160 97.412 84.141 1.00 45.32 ? ? ? ? ? ? 253 GLU J CD 1 +ATOM 19875 O OE1 . GLU J 1 254 ? 63.277 97.136 82.917 1.00 50.73 ? ? ? ? ? ? 253 GLU J OE1 1 +ATOM 19876 O OE2 . GLU J 1 254 ? 63.408 96.589 85.071 1.00 48.56 ? ? ? ? ? ? 253 GLU J OE2 1 +ATOM 19877 O OXT . GLU J 1 254 ? 64.921 102.345 83.551 1.00 48.30 ? ? ? ? ? ? 253 GLU J OXT 1 +ATOM 19878 N N . MSE K 1 2 ? 24.869 134.016 81.333 1.00 39.19 ? ? ? ? ? ? 1 MSE K N 1 +ATOM 19879 C CA . MSE K 1 2 ? 24.339 133.494 82.614 1.00 40.05 ? ? ? ? ? ? 1 MSE K CA 1 +ATOM 19880 C C . MSE K 1 2 ? 22.921 132.991 82.397 1.00 37.41 ? ? ? ? ? ? 1 MSE K C 1 +ATOM 19881 O O . MSE K 1 2 ? 22.049 133.746 82.001 1.00 37.66 ? ? ? ? ? ? 1 MSE K O 1 +ATOM 19882 C CB . MSE K 1 2 ? 24.350 134.578 83.696 1.00 39.96 ? ? ? ? ? ? 1 MSE K CB 1 +ATOM 19883 C CG . MSE K 1 2 ? 23.478 134.274 84.934 1.00 43.34 ? ? ? ? ? ? 1 MSE K CG 1 +ATOM 19884 SE SE . MSE K 1 2 ? 23.477 135.720 86.304 0.75 47.84 ? ? ? ? ? ? 1 MSE K SE 1 +ATOM 19885 C CE . MSE K 1 2 ? 25.483 135.931 86.306 1.00 42.05 ? ? ? ? ? ? 1 MSE K CE 1 +ATOM 19886 N N . ASN K 1 3 ? 22.677 131.719 82.692 1.00 33.66 ? ? ? ? ? ? 2 ASN K N 1 +ATOM 19887 C CA . ASN K 1 3 ? 21.357 131.157 82.487 1.00 31.04 ? ? ? ? ? ? 2 ASN K CA 1 +ATOM 19888 C C . ASN K 1 3 ? 20.862 130.494 83.758 1.00 29.86 ? ? ? ? ? ? 2 ASN K C 1 +ATOM 19889 O O . ASN K 1 3 ? 21.199 129.348 84.048 1.00 28.08 ? ? ? ? ? ? 2 ASN K O 1 +ATOM 19890 C CB . ASN K 1 3 ? 21.378 130.170 81.314 1.00 29.81 ? ? ? ? ? ? 2 ASN K CB 1 +ATOM 19891 C CG . ASN K 1 3 ? 20.002 129.787 80.850 1.00 27.93 ? ? ? ? ? ? 2 ASN K CG 1 +ATOM 19892 O OD1 . ASN K 1 3 ? 19.021 129.848 81.595 1.00 33.11 ? ? ? ? ? ? 2 ASN K OD1 1 +ATOM 19893 N ND2 . ASN K 1 3 ? 19.908 129.404 79.600 1.00 28.03 ? ? ? ? ? ? 2 ASN K ND2 1 +ATOM 19894 N N . LYS K 1 4 ? 20.055 131.229 84.509 1.00 28.78 ? ? ? ? ? ? 3 LYS K N 1 +ATOM 19895 C CA . LYS K 1 4 ? 19.499 130.724 85.761 1.00 30.12 ? ? ? ? ? ? 3 LYS K CA 1 +ATOM 19896 C C . LYS K 1 4 ? 18.490 129.596 85.552 1.00 28.58 ? ? ? ? ? ? 3 LYS K C 1 +ATOM 19897 O O . LYS K 1 4 ? 18.130 128.911 86.508 1.00 28.32 ? ? ? ? ? ? 3 LYS K O 1 +ATOM 19898 C CB . LYS K 1 4 ? 18.828 131.859 86.565 1.00 32.08 ? ? ? ? ? ? 3 LYS K CB 1 +ATOM 19899 C CG . LYS K 1 4 ? 19.806 132.931 87.158 1.00 34.16 ? ? ? ? ? ? 3 LYS K CG 1 +ATOM 19900 C CD . LYS K 1 4 ? 19.074 133.815 88.195 1.00 33.46 ? ? ? ? ? ? 3 LYS K CD 1 +ATOM 19901 C CE . LYS K 1 4 ? 19.959 134.938 88.748 1.00 37.68 ? ? ? ? ? ? 3 LYS K CE 1 +ATOM 19902 N NZ . LYS K 1 4 ? 19.292 135.678 89.878 1.00 33.24 ? ? ? ? ? ? 3 LYS K NZ 1 +ATOM 19903 N N . GLU K 1 5 ? 18.005 129.412 84.329 1.00 27.59 ? ? ? ? ? ? 4 GLU K N 1 +ATOM 19904 C CA . GLU K 1 5 ? 16.992 128.396 84.077 1.00 27.73 ? ? ? ? ? ? 4 GLU K CA 1 +ATOM 19905 C C . GLU K 1 5 ? 17.586 126.986 84.096 1.00 23.79 ? ? ? ? ? ? 4 GLU K C 1 +ATOM 19906 O O . GLU K 1 5 ? 16.944 126.045 84.574 1.00 24.46 ? ? ? ? ? ? 4 GLU K O 1 +ATOM 19907 C CB . GLU K 1 5 ? 16.261 128.647 82.738 1.00 27.48 ? ? ? ? ? ? 4 GLU K CB 1 +ATOM 19908 C CG . GLU K 1 5 ? 14.912 127.948 82.666 1.00 31.82 ? ? ? ? ? ? 4 GLU K CG 1 +ATOM 19909 C CD . GLU K 1 5 ? 14.085 128.304 81.422 1.00 33.94 ? ? ? ? ? ? 4 GLU K CD 1 +ATOM 19910 O OE1 . GLU K 1 5 ? 14.377 129.323 80.751 1.00 42.17 ? ? ? ? ? ? 4 GLU K OE1 1 +ATOM 19911 O OE2 . GLU K 1 5 ? 13.137 127.545 81.124 1.00 34.07 ? ? ? ? ? ? 4 GLU K OE2 1 +ATOM 19912 N N . VAL K 1 6 ? 18.817 126.851 83.607 1.00 21.67 ? ? ? ? ? ? 5 VAL K N 1 +ATOM 19913 C CA . VAL K 1 6 ? 19.442 125.536 83.417 1.00 21.09 ? ? ? ? ? ? 5 VAL K CA 1 +ATOM 19914 C C . VAL K 1 6 ? 20.822 125.373 84.110 1.00 20.70 ? ? ? ? ? ? 5 VAL K C 1 +ATOM 19915 O O . VAL K 1 6 ? 21.402 124.290 84.011 1.00 20.78 ? ? ? ? ? ? 5 VAL K O 1 +ATOM 19916 C CB . VAL K 1 6 ? 19.628 125.189 81.874 1.00 22.54 ? ? ? ? ? ? 5 VAL K CB 1 +ATOM 19917 C CG1 . VAL K 1 6 ? 18.336 125.351 81.080 1.00 18.92 ? ? ? ? ? ? 5 VAL K CG1 1 +ATOM 19918 C CG2 . VAL K 1 6 ? 20.740 126.034 81.259 1.00 19.60 ? ? ? ? ? ? 5 VAL K CG2 1 +ATOM 19919 N N . ASP K 1 7 ? 21.329 126.409 84.796 1.00 19.75 ? ? ? ? ? ? 6 ASP K N 1 +ATOM 19920 C CA . ASP K 1 7 ? 22.651 126.382 85.430 1.00 19.75 ? ? ? ? ? ? 6 ASP K CA 1 +ATOM 19921 C C . ASP K 1 7 ? 22.559 126.693 86.921 1.00 19.80 ? ? ? ? ? ? 6 ASP K C 1 +ATOM 19922 O O . ASP K 1 7 ? 22.501 127.844 87.284 1.00 20.88 ? ? ? ? ? ? 6 ASP K O 1 +ATOM 19923 C CB . ASP K 1 7 ? 23.599 127.370 84.737 1.00 18.85 ? ? ? ? ? ? 6 ASP K CB 1 +ATOM 19924 C CG . ASP K 1 7 ? 25.002 127.331 85.295 1.00 22.61 ? ? ? ? ? ? 6 ASP K CG 1 +ATOM 19925 O OD1 . ASP K 1 7 ? 25.263 126.488 86.181 1.00 29.22 ? ? ? ? ? ? 6 ASP K OD1 1 +ATOM 19926 O OD2 . ASP K 1 7 ? 25.867 128.133 84.848 1.00 27.33 ? ? ? ? ? ? 6 ASP K OD2 1 +ATOM 19927 N N . LEU K 1 8 ? 22.596 125.667 87.782 1.00 19.24 ? ? ? ? ? ? 7 LEU K N 1 +ATOM 19928 C CA . LEU K 1 8 ? 22.384 125.876 89.225 1.00 19.80 ? ? ? ? ? ? 7 LEU K CA 1 +ATOM 19929 C C . LEU K 1 8 ? 23.479 126.695 89.893 1.00 20.83 ? ? ? ? ? ? 7 LEU K C 1 +ATOM 19930 O O . LEU K 1 8 ? 23.224 127.322 90.931 1.00 22.22 ? ? ? ? ? ? 7 LEU K O 1 +ATOM 19931 C CB . LEU K 1 8 ? 22.228 124.571 90.000 1.00 20.04 ? ? ? ? ? ? 7 LEU K CB 1 +ATOM 19932 C CG . LEU K 1 8 ? 21.440 124.712 91.311 1.00 19.04 ? ? ? ? ? ? 7 LEU K CG 1 +ATOM 19933 C CD1 . LEU K 1 8 ? 19.946 124.749 90.969 1.00 14.03 ? ? ? ? ? ? 7 LEU K CD1 1 +ATOM 19934 C CD2 . LEU K 1 8 ? 21.743 123.556 92.281 1.00 18.44 ? ? ? ? ? ? 7 LEU K CD2 1 +ATOM 19935 N N . SER K 1 9 ? 24.673 126.726 89.301 1.00 21.16 ? ? ? ? ? ? 8 SER K N 1 +ATOM 19936 C CA . SER K 1 9 ? 25.745 127.565 89.836 1.00 22.15 ? ? ? ? ? ? 8 SER K CA 1 +ATOM 19937 C C . SER K 1 9 ? 25.426 129.068 89.880 1.00 22.63 ? ? ? ? ? ? 8 SER K C 1 +ATOM 19938 O O . SER K 1 9 ? 26.084 129.816 90.617 1.00 23.28 ? ? ? ? ? ? 8 SER K O 1 +ATOM 19939 C CB . SER K 1 9 ? 27.049 127.342 89.076 1.00 21.66 ? ? ? ? ? ? 8 SER K CB 1 +ATOM 19940 O OG . SER K 1 9 ? 27.378 125.970 89.077 1.00 26.67 ? ? ? ? ? ? 8 SER K OG 1 +ATOM 19941 N N . VAL K 1 10 ? 24.459 129.513 89.094 1.00 22.38 ? ? ? ? ? ? 9 VAL K N 1 +ATOM 19942 C CA . VAL K 1 10 ? 24.037 130.932 89.147 1.00 23.02 ? ? ? ? ? ? 9 VAL K CA 1 +ATOM 19943 C C . VAL K 1 10 ? 22.579 131.120 89.542 1.00 23.86 ? ? ? ? ? ? 9 VAL K C 1 +ATOM 19944 O O . VAL K 1 10 ? 22.158 132.233 89.815 1.00 27.77 ? ? ? ? ? ? 9 VAL K O 1 +ATOM 19945 C CB . VAL K 1 10 ? 24.354 131.685 87.812 1.00 21.74 ? ? ? ? ? ? 9 VAL K CB 1 +ATOM 19946 C CG1 . VAL K 1 10 ? 25.859 131.706 87.567 1.00 18.55 ? ? ? ? ? ? 9 VAL K CG1 1 +ATOM 19947 C CG2 . VAL K 1 10 ? 23.588 131.100 86.610 1.00 22.23 ? ? ? ? ? ? 9 VAL K CG2 1 +ATOM 19948 N N . SER K 1 11 ? 21.826 130.034 89.634 1.00 22.90 ? ? ? ? ? ? 10 SER K N 1 +ATOM 19949 C CA . SER K 1 11 ? 20.391 130.091 89.798 1.00 21.61 ? ? ? ? ? ? 10 SER K CA 1 +ATOM 19950 C C . SER K 1 11 ? 19.916 130.311 91.232 1.00 22.95 ? ? ? ? ? ? 10 SER K C 1 +ATOM 19951 O O . SER K 1 11 ? 20.708 130.255 92.181 1.00 22.55 ? ? ? ? ? ? 10 SER K O 1 +ATOM 19952 C CB . SER K 1 11 ? 19.789 128.796 89.275 1.00 22.69 ? ? ? ? ? ? 10 SER K CB 1 +ATOM 19953 O OG . SER K 1 11 ? 18.377 128.905 89.157 1.00 27.36 ? ? ? ? ? ? 10 SER K OG 1 +ATOM 19954 N N . CYS K 1 12 ? 18.613 130.545 91.388 1.00 22.67 ? ? ? ? ? ? 11 CYS K N 1 +ATOM 19955 C CA . CYS K 1 12 ? 17.996 130.747 92.699 1.00 23.16 ? ? ? ? ? ? 11 CYS K CA 1 +ATOM 19956 C C . CYS K 1 12 ? 16.607 130.111 92.744 1.00 23.30 ? ? ? ? ? ? 11 CYS K C 1 +ATOM 19957 O O . CYS K 1 12 ? 16.069 129.782 91.691 1.00 23.96 ? ? ? ? ? ? 11 CYS K O 1 +ATOM 19958 C CB . CYS K 1 12 ? 17.896 132.241 92.971 1.00 24.73 ? ? ? ? ? ? 11 CYS K CB 1 +ATOM 19959 S SG . CYS K 1 12 ? 16.910 133.078 91.735 1.00 27.38 ? ? ? ? ? ? 11 CYS K SG 1 +ATOM 19960 N N . LEU K 1 13 ? 16.027 129.920 93.934 1.00 23.28 ? ? ? ? ? ? 12 LEU K N 1 +ATOM 19961 C CA . LEU K 1 13 ? 14.785 129.136 94.035 1.00 24.06 ? ? ? ? ? ? 12 LEU K CA 1 +ATOM 19962 C C . LEU K 1 13 ? 13.636 129.797 93.259 1.00 25.68 ? ? ? ? ? ? 12 LEU K C 1 +ATOM 19963 O O . LEU K 1 13 ? 12.842 129.103 92.645 1.00 26.57 ? ? ? ? ? ? 12 LEU K O 1 +ATOM 19964 C CB . LEU K 1 13 ? 14.388 128.884 95.507 1.00 24.43 ? ? ? ? ? ? 12 LEU K CB 1 +ATOM 19965 C CG . LEU K 1 13 ? 13.034 128.241 95.857 1.00 24.83 ? ? ? ? ? ? 12 LEU K CG 1 +ATOM 19966 C CD1 . LEU K 1 13 ? 12.902 126.818 95.328 1.00 22.86 ? ? ? ? ? ? 12 LEU K CD1 1 +ATOM 19967 C CD2 . LEU K 1 13 ? 12.738 128.247 97.357 1.00 22.74 ? ? ? ? ? ? 12 LEU K CD2 1 +ATOM 19968 N N . GLY K 1 14 ? 13.549 131.124 93.292 1.00 26.63 ? ? ? ? ? ? 13 GLY K N 1 +ATOM 19969 C CA . GLY K 1 14 ? 12.502 131.847 92.589 1.00 27.06 ? ? ? ? ? ? 13 GLY K CA 1 +ATOM 19970 C C . GLY K 1 14 ? 12.473 131.560 91.097 1.00 28.45 ? ? ? ? ? ? 13 GLY K C 1 +ATOM 19971 O O . GLY K 1 14 ? 11.378 131.482 90.515 1.00 29.03 ? ? ? ? ? ? 13 GLY K O 1 +ATOM 19972 N N . LYS K 1 15 ? 13.651 131.417 90.478 1.00 28.84 ? ? ? ? ? ? 14 LYS K N 1 +ATOM 19973 C CA . LYS K 1 15 ? 13.751 131.140 89.039 1.00 30.22 ? ? ? ? ? ? 14 LYS K CA 1 +ATOM 19974 C C . LYS K 1 15 ? 13.319 129.735 88.680 1.00 30.94 ? ? ? ? ? ? 14 LYS K C 1 +ATOM 19975 O O . LYS K 1 15 ? 12.840 129.536 87.579 1.00 35.27 ? ? ? ? ? ? 14 LYS K O 1 +ATOM 19976 C CB . LYS K 1 15 ? 15.190 131.358 88.517 1.00 30.22 ? ? ? ? ? ? 14 LYS K CB 1 +ATOM 19977 N N . VAL K 1 16 ? 13.502 128.760 89.584 1.00 29.36 ? ? ? ? ? ? 15 VAL K N 1 +ATOM 19978 C CA . VAL K 1 16 ? 13.339 127.331 89.244 1.00 28.21 ? ? ? ? ? ? 15 VAL K CA 1 +ATOM 19979 C C . VAL K 1 16 ? 12.092 126.683 89.824 1.00 29.37 ? ? ? ? ? ? 15 VAL K C 1 +ATOM 19980 O O . VAL K 1 16 ? 11.721 125.588 89.384 1.00 27.54 ? ? ? ? ? ? 15 VAL K O 1 +ATOM 19981 C CB . VAL K 1 16 ? 14.560 126.416 89.681 1.00 27.16 ? ? ? ? ? ? 15 VAL K CB 1 +ATOM 19982 C CG1 . VAL K 1 16 ? 15.878 127.064 89.363 1.00 27.69 ? ? ? ? ? ? 15 VAL K CG1 1 +ATOM 19983 C CG2 . VAL K 1 16 ? 14.487 126.042 91.179 1.00 23.47 ? ? ? ? ? ? 15 VAL K CG2 1 +ATOM 19984 N N . LYS K 1 17 ? 11.453 127.320 90.799 1.00 30.82 ? ? ? ? ? ? 16 LYS K N 1 +ATOM 19985 C CA . LYS K 1 17 ? 10.496 126.600 91.629 1.00 34.74 ? ? ? ? ? ? 16 LYS K CA 1 +ATOM 19986 C C . LYS K 1 17 ? 9.191 126.243 90.933 1.00 35.10 ? ? ? ? ? ? 16 LYS K C 1 +ATOM 19987 O O . LYS K 1 17 ? 8.525 125.288 91.344 1.00 35.37 ? ? ? ? ? ? 16 LYS K O 1 +ATOM 19988 C CB . LYS K 1 17 ? 10.206 127.332 92.949 1.00 35.28 ? ? ? ? ? ? 16 LYS K CB 1 +ATOM 19989 C CG . LYS K 1 17 ? 9.317 128.557 92.852 1.00 37.28 ? ? ? ? ? ? 16 LYS K CG 1 +ATOM 19990 C CD . LYS K 1 17 ? 8.855 129.019 94.263 1.00 39.38 ? ? ? ? ? ? 16 LYS K CD 1 +ATOM 19991 C CE . LYS K 1 17 ? 8.081 130.354 94.217 1.00 50.11 ? ? ? ? ? ? 16 LYS K CE 1 +ATOM 19992 N NZ . LYS K 1 17 ? 6.602 130.206 93.925 1.00 55.81 ? ? ? ? ? ? 16 LYS K NZ 1 +ATOM 19993 N N . GLU K 1 18 ? 8.815 126.998 89.905 1.00 36.37 ? ? ? ? ? ? 17 GLU K N 1 +ATOM 19994 C CA . GLU K 1 18 ? 7.557 126.731 89.200 1.00 40.12 ? ? ? ? ? ? 17 GLU K CA 1 +ATOM 19995 C C . GLU K 1 18 ? 7.805 125.985 87.891 1.00 38.47 ? ? ? ? ? ? 17 GLU K C 1 +ATOM 19996 O O . GLU K 1 18 ? 6.860 125.615 87.218 1.00 39.27 ? ? ? ? ? ? 17 GLU K O 1 +ATOM 19997 C CB . GLU K 1 18 ? 6.794 128.043 88.947 1.00 42.13 ? ? ? ? ? ? 17 GLU K CB 1 +ATOM 19998 C CG . GLU K 1 18 ? 6.526 128.862 90.251 1.00 49.95 ? ? ? ? ? ? 17 GLU K CG 1 +ATOM 19999 C CD . GLU K 1 18 ? 5.526 130.016 90.083 1.00 52.62 ? ? ? ? ? ? 17 GLU K CD 1 +ATOM 20000 O OE1 . GLU K 1 18 ? 5.073 130.296 88.939 1.00 62.02 ? ? ? ? ? ? 17 GLU K OE1 1 +ATOM 20001 O OE2 . GLU K 1 18 ? 5.196 130.648 91.115 1.00 62.82 ? ? ? ? ? ? 17 GLU K OE2 1 +ATOM 20002 N N . LEU K 1 19 ? 9.072 125.753 87.539 1.00 35.57 ? ? ? ? ? ? 18 LEU K N 1 +ATOM 20003 C CA . LEU K 1 19 ? 9.404 125.145 86.244 1.00 32.96 ? ? ? ? ? ? 18 LEU K CA 1 +ATOM 20004 C C . LEU K 1 19 ? 9.574 123.636 86.349 1.00 31.70 ? ? ? ? ? ? 18 LEU K C 1 +ATOM 20005 O O . LEU K 1 19 ? 10.089 123.130 87.331 1.00 32.36 ? ? ? ? ? ? 18 LEU K O 1 +ATOM 20006 C CB . LEU K 1 19 ? 10.655 125.788 85.634 1.00 31.03 ? ? ? ? ? ? 18 LEU K CB 1 +ATOM 20007 C CG . LEU K 1 19 ? 10.630 127.311 85.544 1.00 31.86 ? ? ? ? ? ? 18 LEU K CG 1 +ATOM 20008 C CD1 . LEU K 1 19 ? 11.950 127.798 84.993 1.00 25.61 ? ? ? ? ? ? 18 LEU K CD1 1 +ATOM 20009 C CD2 . LEU K 1 19 ? 9.445 127.826 84.699 1.00 29.74 ? ? ? ? ? ? 18 LEU K CD2 1 +ATOM 20010 N N . LYS K 1 20 ? 9.143 122.911 85.323 1.00 30.54 ? ? ? ? ? ? 19 LYS K N 1 +ATOM 20011 C CA . LYS K 1 20 ? 9.290 121.463 85.310 1.00 29.77 ? ? ? ? ? ? 19 LYS K CA 1 +ATOM 20012 C C . LYS K 1 20 ? 10.627 121.086 84.662 1.00 26.90 ? ? ? ? ? ? 19 LYS K C 1 +ATOM 20013 O O . LYS K 1 20 ? 10.995 121.637 83.641 1.00 24.73 ? ? ? ? ? ? 19 LYS K O 1 +ATOM 20014 C CB . LYS K 1 20 ? 8.128 120.805 84.576 1.00 32.04 ? ? ? ? ? ? 19 LYS K CB 1 +ATOM 20015 C CG . LYS K 1 20 ? 8.211 119.253 84.537 1.00 38.64 ? ? ? ? ? ? 19 LYS K CG 1 +ATOM 20016 C CD . LYS K 1 20 ? 7.325 118.724 83.404 1.00 48.74 ? ? ? ? ? ? 19 LYS K CD 1 +ATOM 20017 C CE . LYS K 1 20 ? 7.697 117.326 82.919 1.00 54.03 ? ? ? ? ? ? 19 LYS K CE 1 +ATOM 20018 N NZ . LYS K 1 20 ? 7.285 117.179 81.485 1.00 53.70 ? ? ? ? ? ? 19 LYS K NZ 1 +ATOM 20019 N N . TYR K 1 21 ? 11.374 120.182 85.289 1.00 25.47 ? ? ? ? ? ? 20 TYR K N 1 +ATOM 20020 C CA . TYR K 1 21 ? 12.702 119.758 84.782 1.00 24.34 ? ? ? ? ? ? 20 TYR K CA 1 +ATOM 20021 C C . TYR K 1 21 ? 12.636 118.289 84.419 1.00 24.02 ? ? ? ? ? ? 20 TYR K C 1 +ATOM 20022 O O . TYR K 1 21 ? 12.114 117.485 85.177 1.00 26.18 ? ? ? ? ? ? 20 TYR K O 1 +ATOM 20023 C CB . TYR K 1 21 ? 13.802 119.989 85.812 1.00 23.36 ? ? ? ? ? ? 20 TYR K CB 1 +ATOM 20024 C CG . TYR K 1 21 ? 14.098 121.442 85.966 1.00 23.72 ? ? ? ? ? ? 20 TYR K CG 1 +ATOM 20025 C CD1 . TYR K 1 21 ? 13.373 122.218 86.841 1.00 21.84 ? ? ? ? ? ? 20 TYR K CD1 1 +ATOM 20026 C CD2 . TYR K 1 21 ? 15.121 122.054 85.207 1.00 21.25 ? ? ? ? ? ? 20 TYR K CD2 1 +ATOM 20027 C CE1 . TYR K 1 21 ? 13.627 123.595 86.957 1.00 23.85 ? ? ? ? ? ? 20 TYR K CE1 1 +ATOM 20028 C CE2 . TYR K 1 21 ? 15.393 123.407 85.318 1.00 18.64 ? ? ? ? ? ? 20 TYR K CE2 1 +ATOM 20029 C CZ . TYR K 1 21 ? 14.645 124.170 86.185 1.00 20.06 ? ? ? ? ? ? 20 TYR K CZ 1 +ATOM 20030 O OH . TYR K 1 21 ? 14.888 125.505 86.261 1.00 21.35 ? ? ? ? ? ? 20 TYR K OH 1 +ATOM 20031 N N . ASP K 1 22 ? 13.172 117.955 83.251 1.00 24.79 ? ? ? ? ? ? 21 ASP K N 1 +ATOM 20032 C CA . ASP K 1 22 ? 13.107 116.614 82.688 1.00 26.20 ? ? ? ? ? ? 21 ASP K CA 1 +ATOM 20033 C C . ASP K 1 22 ? 14.324 115.731 83.005 1.00 26.46 ? ? ? ? ? ? 21 ASP K C 1 +ATOM 20034 O O . ASP K 1 22 ? 14.182 114.508 83.243 1.00 27.87 ? ? ? ? ? ? 21 ASP K O 1 +ATOM 20035 C CB . ASP K 1 22 ? 12.957 116.725 81.185 1.00 26.35 ? ? ? ? ? ? 21 ASP K CB 1 +ATOM 20036 C CG . ASP K 1 22 ? 11.637 117.414 80.795 1.00 33.01 ? ? ? ? ? ? 21 ASP K CG 1 +ATOM 20037 O OD1 . ASP K 1 22 ? 10.565 116.870 81.167 1.00 37.10 ? ? ? ? ? ? 21 ASP K OD1 1 +ATOM 20038 O OD2 . ASP K 1 22 ? 11.685 118.494 80.164 1.00 33.71 ? ? ? ? ? ? 21 ASP K OD2 1 +ATOM 20039 N N . VAL K 1 23 ? 15.505 116.339 82.987 1.00 24.53 ? ? ? ? ? ? 22 VAL K N 1 +ATOM 20040 C CA . VAL K 1 23 ? 16.757 115.610 83.228 1.00 22.95 ? ? ? ? ? ? 22 VAL K CA 1 +ATOM 20041 C C . VAL K 1 23 ? 17.667 116.492 84.056 1.00 21.69 ? ? ? ? ? ? 22 VAL K C 1 +ATOM 20042 O O . VAL K 1 23 ? 17.666 117.708 83.860 1.00 20.69 ? ? ? ? ? ? 22 VAL K O 1 +ATOM 20043 C CB . VAL K 1 23 ? 17.467 115.218 81.907 1.00 23.34 ? ? ? ? ? ? 22 VAL K CB 1 +ATOM 20044 C CG1 . VAL K 1 23 ? 18.618 114.252 82.174 1.00 21.87 ? ? ? ? ? ? 22 VAL K CG1 1 +ATOM 20045 C CG2 . VAL K 1 23 ? 16.459 114.567 80.955 1.00 23.57 ? ? ? ? ? ? 22 VAL K CG2 1 +ATOM 20046 N N . ILE K 1 24 ? 18.400 115.874 84.994 1.00 20.17 ? ? ? ? ? ? 23 ILE K N 1 +ATOM 20047 C CA . ILE K 1 24 ? 19.396 116.534 85.826 1.00 18.57 ? ? ? ? ? ? 23 ILE K CA 1 +ATOM 20048 C C . ILE K 1 24 ? 20.726 116.093 85.244 1.00 18.01 ? ? ? ? ? ? 23 ILE K C 1 +ATOM 20049 O O . ILE K 1 24 ? 20.874 114.915 84.895 1.00 19.02 ? ? ? ? ? ? 23 ILE K O 1 +ATOM 20050 C CB . ILE K 1 24 ? 19.276 116.111 87.318 1.00 18.14 ? ? ? ? ? ? 23 ILE K CB 1 +ATOM 20051 C CG1 . ILE K 1 24 ? 17.846 116.190 87.800 1.00 22.06 ? ? ? ? ? ? 23 ILE K CG1 1 +ATOM 20052 C CG2 . ILE K 1 24 ? 20.165 116.971 88.239 1.00 16.52 ? ? ? ? ? ? 23 ILE K CG2 1 +ATOM 20053 C CD1 . ILE K 1 24 ? 17.257 117.598 87.787 1.00 21.22 ? ? ? ? ? ? 23 ILE K CD1 1 +ATOM 20054 N N . ILE K 1 25 ? 21.659 117.027 85.059 1.00 17.82 ? ? ? ? ? ? 24 ILE K N 1 +ATOM 20055 C CA . ILE K 1 25 ? 23.019 116.723 84.562 1.00 18.79 ? ? ? ? ? ? 24 ILE K CA 1 +ATOM 20056 C C . ILE K 1 25 ? 23.975 117.031 85.695 1.00 17.20 ? ? ? ? ? ? 24 ILE K C 1 +ATOM 20057 O O . ILE K 1 25 ? 23.883 118.095 86.299 1.00 17.43 ? ? ? ? ? ? 24 ILE K O 1 +ATOM 20058 C CB . ILE K 1 25 ? 23.464 117.571 83.324 1.00 22.28 ? ? ? ? ? ? 24 ILE K CB 1 +ATOM 20059 C CG1 . ILE K 1 25 ? 22.305 117.787 82.296 1.00 21.36 ? ? ? ? ? ? 24 ILE K CG1 1 +ATOM 20060 C CG2 . ILE K 1 25 ? 24.716 116.977 82.707 1.00 15.59 ? ? ? ? ? ? 24 ILE K CG2 1 +ATOM 20061 C CD1 . ILE K 1 25 ? 21.652 116.566 81.824 1.00 32.45 ? ? ? ? ? ? 24 ILE K CD1 1 +ATOM 20062 N N . LEU K 1 26 ? 24.851 116.081 86.020 1.00 17.36 ? ? ? ? ? ? 25 LEU K N 1 +ATOM 20063 C CA . LEU K 1 26 ? 25.830 116.271 87.061 1.00 17.54 ? ? ? ? ? ? 25 LEU K CA 1 +ATOM 20064 C C . LEU K 1 26 ? 27.241 116.263 86.466 1.00 17.98 ? ? ? ? ? ? 25 LEU K C 1 +ATOM 20065 O O . LEU K 1 26 ? 27.746 115.214 86.138 1.00 18.70 ? ? ? ? ? ? 25 LEU K O 1 +ATOM 20066 C CB . LEU K 1 26 ? 25.669 115.207 88.136 1.00 19.25 ? ? ? ? ? ? 25 LEU K CB 1 +ATOM 20067 C CG . LEU K 1 26 ? 26.638 115.181 89.319 1.00 15.16 ? ? ? ? ? ? 25 LEU K CG 1 +ATOM 20068 C CD1 . LEU K 1 26 ? 26.501 116.401 90.234 1.00 12.00 ? ? ? ? ? ? 25 LEU K CD1 1 +ATOM 20069 C CD2 . LEU K 1 26 ? 26.391 113.894 90.076 1.00 15.13 ? ? ? ? ? ? 25 LEU K CD2 1 +ATOM 20070 N N . PRO K 1 27 ? 27.865 117.454 86.319 1.00 18.38 ? ? ? ? ? ? 26 PRO K N 1 +ATOM 20071 C CA . PRO K 1 27 ? 29.229 117.490 85.864 1.00 18.60 ? ? ? ? ? ? 26 PRO K CA 1 +ATOM 20072 C C . PRO K 1 27 ? 30.137 117.010 87.006 1.00 18.73 ? ? ? ? ? ? 26 PRO K C 1 +ATOM 20073 O O . PRO K 1 27 ? 29.955 117.398 88.164 1.00 18.98 ? ? ? ? ? ? 26 PRO K O 1 +ATOM 20074 C CB . PRO K 1 27 ? 29.465 118.980 85.527 1.00 19.00 ? ? ? ? ? ? 26 PRO K CB 1 +ATOM 20075 C CG . PRO K 1 27 ? 28.129 119.653 85.599 1.00 17.11 ? ? ? ? ? ? 26 PRO K CG 1 +ATOM 20076 C CD . PRO K 1 27 ? 27.355 118.819 86.578 1.00 19.94 ? ? ? ? ? ? 26 PRO K CD 1 +ATOM 20077 N N . TRP K 1 28 ? 31.070 116.144 86.684 1.00 18.43 ? ? ? ? ? ? 27 TRP K N 1 +ATOM 20078 C CA . TRP K 1 28 ? 31.926 115.545 87.679 1.00 17.42 ? ? ? ? ? ? 27 TRP K CA 1 +ATOM 20079 C C . TRP K 1 28 ? 33.349 115.614 87.179 1.00 16.79 ? ? ? ? ? ? 27 TRP K C 1 +ATOM 20080 O O . TRP K 1 28 ? 33.697 115.005 86.147 1.00 16.76 ? ? ? ? ? ? 27 TRP K O 1 +ATOM 20081 C CB . TRP K 1 28 ? 31.556 114.101 87.959 1.00 15.32 ? ? ? ? ? ? 27 TRP K CB 1 +ATOM 20082 C CG . TRP K 1 28 ? 32.064 113.616 89.286 1.00 16.18 ? ? ? ? ? ? 27 TRP K CG 1 +ATOM 20083 C CD1 . TRP K 1 28 ? 33.364 113.650 89.732 1.00 11.83 ? ? ? ? ? ? 27 TRP K CD1 1 +ATOM 20084 C CD2 . TRP K 1 28 ? 31.306 112.967 90.322 1.00 15.75 ? ? ? ? ? ? 27 TRP K CD2 1 +ATOM 20085 N NE1 . TRP K 1 28 ? 33.443 113.108 90.965 1.00 14.18 ? ? ? ? ? ? 27 TRP K NE1 1 +ATOM 20086 C CE2 . TRP K 1 28 ? 32.200 112.665 91.352 1.00 17.33 ? ? ? ? ? ? 27 TRP K CE2 1 +ATOM 20087 C CE3 . TRP K 1 28 ? 29.967 112.591 90.460 1.00 19.89 ? ? ? ? ? ? 27 TRP K CE3 1 +ATOM 20088 C CZ2 . TRP K 1 28 ? 31.798 112.032 92.528 1.00 17.64 ? ? ? ? ? ? 27 TRP K CZ2 1 +ATOM 20089 C CZ3 . TRP K 1 28 ? 29.562 111.959 91.642 1.00 19.42 ? ? ? ? ? ? 27 TRP K CZ3 1 +ATOM 20090 C CH2 . TRP K 1 28 ? 30.474 111.693 92.652 1.00 17.41 ? ? ? ? ? ? 27 TRP K CH2 1 +ATOM 20091 N N . GLY K 1 29 ? 34.156 116.388 87.913 1.00 16.25 ? ? ? ? ? ? 28 GLY K N 1 +ATOM 20092 C CA . GLY K 1 29 ? 35.514 116.687 87.514 1.00 16.65 ? ? ? ? ? ? 28 GLY K CA 1 +ATOM 20093 C C . GLY K 1 29 ? 36.542 116.165 88.486 1.00 16.88 ? ? ? ? ? ? 28 GLY K C 1 +ATOM 20094 O O . GLY K 1 29 ? 36.508 115.016 88.894 1.00 16.76 ? ? ? ? ? ? 28 GLY K O 1 +ATOM 20095 N N . ALA K 1 30 ? 37.466 117.037 88.842 1.00 17.98 ? ? ? ? ? ? 29 ALA K N 1 +ATOM 20096 C CA . ALA K 1 30 ? 38.682 116.683 89.573 1.00 16.95 ? ? ? ? ? ? 29 ALA K CA 1 +ATOM 20097 C C . ALA K 1 30 ? 39.406 117.989 89.905 1.00 17.72 ? ? ? ? ? ? 29 ALA K C 1 +ATOM 20098 O O . ALA K 1 30 ? 39.232 118.994 89.186 1.00 18.22 ? ? ? ? ? ? 29 ALA K O 1 +ATOM 20099 C CB . ALA K 1 30 ? 39.563 115.787 88.727 1.00 15.31 ? ? ? ? ? ? 29 ALA K CB 1 +ATOM 20100 N N . THR K 1 31 ? 40.198 117.961 90.992 1.00 18.88 ? ? ? ? ? ? 30 THR K N 1 +ATOM 20101 C CA . THR K 1 31 ? 41.139 119.037 91.380 1.00 18.51 ? ? ? ? ? ? 30 THR K CA 1 +ATOM 20102 C C . THR K 1 31 ? 42.579 118.586 91.088 1.00 19.95 ? ? ? ? ? ? 30 THR K C 1 +ATOM 20103 O O . THR K 1 31 ? 43.212 117.844 91.843 1.00 19.20 ? ? ? ? ? ? 30 THR K O 1 +ATOM 20104 C CB . THR K 1 31 ? 40.922 119.508 92.842 1.00 18.27 ? ? ? ? ? ? 30 THR K CB 1 +ATOM 20105 O OG1 . THR K 1 31 ? 39.562 119.885 92.987 1.00 21.27 ? ? ? ? ? ? 30 THR K OG1 1 +ATOM 20106 C CG2 . THR K 1 31 ? 41.758 120.731 93.164 1.00 16.73 ? ? ? ? ? ? 30 THR K CG2 1 +ATOM 20107 N N . GLU K 1 32 ? 43.081 119.017 89.948 1.00 20.34 ? ? ? ? ? ? 31 GLU K N 1 +ATOM 20108 C CA . GLU K 1 32 ? 44.169 118.299 89.301 1.00 20.77 ? ? ? ? ? ? 31 GLU K CA 1 +ATOM 20109 C C . GLU K 1 32 ? 45.011 119.208 88.460 1.00 21.31 ? ? ? ? ? ? 31 GLU K C 1 +ATOM 20110 O O . GLU K 1 32 ? 44.450 119.947 87.610 1.00 21.78 ? ? ? ? ? ? 31 GLU K O 1 +ATOM 20111 C CB . GLU K 1 32 ? 43.578 117.251 88.358 1.00 20.66 ? ? ? ? ? ? 31 GLU K CB 1 +ATOM 20112 C CG . GLU K 1 32 ? 44.575 116.257 87.891 1.00 20.33 ? ? ? ? ? ? 31 GLU K CG 1 +ATOM 20113 C CD . GLU K 1 32 ? 44.025 115.331 86.815 1.00 24.25 ? ? ? ? ? ? 31 GLU K CD 1 +ATOM 20114 O OE1 . GLU K 1 32 ? 43.061 115.716 86.125 1.00 23.47 ? ? ? ? ? ? 31 GLU K OE1 1 +ATOM 20115 O OE2 . GLU K 1 32 ? 44.579 114.234 86.629 1.00 26.94 ? ? ? ? ? ? 31 GLU K OE2 1 +ATOM 20116 N N . PRO K 1 33 ? 46.351 119.153 88.652 1.00 22.67 ? ? ? ? ? ? 32 PRO K N 1 +ATOM 20117 C CA . PRO K 1 33 ? 47.244 119.861 87.751 1.00 22.33 ? ? ? ? ? ? 32 PRO K CA 1 +ATOM 20118 C C . PRO K 1 33 ? 47.121 119.360 86.298 1.00 21.55 ? ? ? ? ? ? 32 PRO K C 1 +ATOM 20119 O O . PRO K 1 33 ? 47.040 118.145 86.034 1.00 20.92 ? ? ? ? ? ? 32 PRO K O 1 +ATOM 20120 C CB . PRO K 1 33 ? 48.634 119.551 88.319 1.00 24.41 ? ? ? ? ? ? 32 PRO K CB 1 +ATOM 20121 C CG . PRO K 1 33 ? 48.386 119.081 89.725 1.00 26.11 ? ? ? ? ? ? 32 PRO K CG 1 +ATOM 20122 C CD . PRO K 1 33 ? 47.083 118.454 89.725 1.00 20.90 ? ? ? ? ? ? 32 PRO K CD 1 +ATOM 20123 N N . HIS K 1 34 ? 47.106 120.315 85.376 1.00 20.92 ? ? ? ? ? ? 33 HIS K N 1 +ATOM 20124 C CA . HIS K 1 34 ? 46.909 120.087 83.957 1.00 19.93 ? ? ? ? ? ? 33 HIS K CA 1 +ATOM 20125 C C . HIS K 1 34 ? 48.034 120.773 83.208 1.00 20.71 ? ? ? ? ? ? 33 HIS K C 1 +ATOM 20126 O O . HIS K 1 34 ? 47.848 121.867 82.732 1.00 18.45 ? ? ? ? ? ? 33 HIS K O 1 +ATOM 20127 C CB . HIS K 1 34 ? 45.568 120.692 83.513 1.00 20.67 ? ? ? ? ? ? 33 HIS K CB 1 +ATOM 20128 C CG . HIS K 1 34 ? 44.392 119.795 83.719 1.00 16.64 ? ? ? ? ? ? 33 HIS K CG 1 +ATOM 20129 N ND1 . HIS K 1 34 ? 43.801 119.605 84.946 1.00 24.52 ? ? ? ? ? ? 33 HIS K ND1 1 +ATOM 20130 C CD2 . HIS K 1 34 ? 43.702 119.023 82.851 1.00 21.33 ? ? ? ? ? ? 33 HIS K CD2 1 +ATOM 20131 C CE1 . HIS K 1 34 ? 42.779 118.773 84.823 1.00 19.98 ? ? ? ? ? ? 33 HIS K CE1 1 +ATOM 20132 N NE2 . HIS K 1 34 ? 42.692 118.413 83.556 1.00 23.13 ? ? ? ? ? ? 33 HIS K NE2 1 +ATOM 20133 N N . ASN K 1 35 ? 49.205 120.125 83.118 1.00 21.37 ? ? ? ? ? ? 34 ASN K N 1 +ATOM 20134 C CA . ASN K 1 35 ? 50.414 120.775 82.571 1.00 22.16 ? ? ? ? ? ? 34 ASN K CA 1 +ATOM 20135 C C . ASN K 1 35 ? 50.668 122.047 83.397 1.00 23.64 ? ? ? ? ? ? 34 ASN K C 1 +ATOM 20136 O O . ASN K 1 35 ? 50.170 122.158 84.517 1.00 24.29 ? ? ? ? ? ? 34 ASN K O 1 +ATOM 20137 C CB . ASN K 1 35 ? 50.209 121.079 81.083 1.00 23.26 ? ? ? ? ? ? 34 ASN K CB 1 +ATOM 20138 C CG . ASN K 1 35 ? 51.515 121.181 80.300 1.00 23.55 ? ? ? ? ? ? 34 ASN K CG 1 +ATOM 20139 O OD1 . ASN K 1 35 ? 52.427 121.902 80.685 1.00 20.61 ? ? ? ? ? ? 34 ASN K OD1 1 +ATOM 20140 N ND2 . ASN K 1 35 ? 51.590 120.478 79.192 1.00 22.45 ? ? ? ? ? ? 34 ASN K ND2 1 +ATOM 20141 N N . LEU K 1 36 ? 51.382 123.027 82.851 1.00 24.12 ? ? ? ? ? ? 35 LEU K N 1 +ATOM 20142 C CA . LEU K 1 36 ? 51.643 124.245 83.592 1.00 23.04 ? ? ? ? ? ? 35 LEU K CA 1 +ATOM 20143 C C . LEU K 1 36 ? 50.596 125.290 83.364 1.00 22.33 ? ? ? ? ? ? 35 LEU K C 1 +ATOM 20144 O O . LEU K 1 36 ? 50.502 126.236 84.161 1.00 24.08 ? ? ? ? ? ? 35 LEU K O 1 +ATOM 20145 C CB . LEU K 1 36 ? 53.019 124.807 83.232 1.00 24.84 ? ? ? ? ? ? 35 LEU K CB 1 +ATOM 20146 C CG . LEU K 1 36 ? 54.158 123.794 83.470 1.00 26.49 ? ? ? ? ? ? 35 LEU K CG 1 +ATOM 20147 C CD1 . LEU K 1 36 ? 55.462 124.280 82.879 1.00 25.68 ? ? ? ? ? ? 35 LEU K CD1 1 +ATOM 20148 C CD2 . LEU K 1 36 ? 54.310 123.492 84.935 1.00 22.22 ? ? ? ? ? ? 35 LEU K CD2 1 +ATOM 20149 N N . HIS K 1 37 ? 49.780 125.125 82.312 1.00 22.16 ? ? ? ? ? ? 36 HIS K N 1 +ATOM 20150 C CA . HIS K 1 37 ? 48.972 126.229 81.800 1.00 22.20 ? ? ? ? ? ? 36 HIS K CA 1 +ATOM 20151 C C . HIS K 1 37 ? 47.446 126.162 82.041 1.00 22.41 ? ? ? ? ? ? 36 HIS K C 1 +ATOM 20152 O O . HIS K 1 37 ? 46.767 127.194 81.972 1.00 22.38 ? ? ? ? ? ? 36 HIS K O 1 +ATOM 20153 C CB . HIS K 1 37 ? 49.203 126.401 80.308 1.00 23.00 ? ? ? ? ? ? 36 HIS K CB 1 +ATOM 20154 C CG . HIS K 1 37 ? 48.742 125.237 79.504 1.00 22.15 ? ? ? ? ? ? 36 HIS K CG 1 +ATOM 20155 N ND1 . HIS K 1 37 ? 49.218 123.967 79.709 1.00 22.23 ? ? ? ? ? ? 36 HIS K ND1 1 +ATOM 20156 C CD2 . HIS K 1 37 ? 47.880 125.152 78.468 1.00 21.44 ? ? ? ? ? ? 36 HIS K CD2 1 +ATOM 20157 C CE1 . HIS K 1 37 ? 48.654 123.141 78.847 1.00 23.21 ? ? ? ? ? ? 36 HIS K CE1 1 +ATOM 20158 N NE2 . HIS K 1 37 ? 47.821 123.832 78.096 1.00 21.21 ? ? ? ? ? ? 36 HIS K NE2 1 +ATOM 20159 N N . LEU K 1 38 ? 46.903 124.966 82.283 1.00 21.69 ? ? ? ? ? ? 37 LEU K N 1 +ATOM 20160 C CA . LEU K 1 38 ? 45.446 124.841 82.361 1.00 20.31 ? ? ? ? ? ? 37 LEU K CA 1 +ATOM 20161 C C . LEU K 1 38 ? 44.986 124.899 83.807 1.00 19.81 ? ? ? ? ? ? 37 LEU K C 1 +ATOM 20162 O O . LEU K 1 38 ? 45.718 124.513 84.702 1.00 20.21 ? ? ? ? ? ? 37 LEU K O 1 +ATOM 20163 C CB . LEU K 1 38 ? 44.974 123.561 81.662 1.00 21.29 ? ? ? ? ? ? 37 LEU K CB 1 +ATOM 20164 C CG . LEU K 1 38 ? 44.924 123.529 80.126 1.00 18.61 ? ? ? ? ? ? 37 LEU K CG 1 +ATOM 20165 C CD1 . LEU K 1 38 ? 44.650 122.097 79.597 1.00 16.65 ? ? ? ? ? ? 37 LEU K CD1 1 +ATOM 20166 C CD2 . LEU K 1 38 ? 43.896 124.516 79.615 1.00 20.34 ? ? ? ? ? ? 37 LEU K CD2 1 +ATOM 20167 N N . PRO K 1 39 ? 43.772 125.396 84.049 1.00 21.01 ? ? ? ? ? ? 38 PRO K N 1 +ATOM 20168 C CA . PRO K 1 39 ? 43.229 125.400 85.404 1.00 21.05 ? ? ? ? ? ? 38 PRO K CA 1 +ATOM 20169 C C . PRO K 1 39 ? 43.186 124.038 86.125 1.00 19.76 ? ? ? ? ? ? 38 PRO K C 1 +ATOM 20170 O O . PRO K 1 39 ? 42.941 122.991 85.502 1.00 19.31 ? ? ? ? ? ? 38 PRO K O 1 +ATOM 20171 C CB . PRO K 1 39 ? 41.807 125.923 85.195 1.00 20.86 ? ? ? ? ? ? 38 PRO K CB 1 +ATOM 20172 C CG . PRO K 1 39 ? 41.851 126.669 83.982 1.00 19.90 ? ? ? ? ? ? 38 PRO K CG 1 +ATOM 20173 C CD . PRO K 1 39 ? 42.807 125.984 83.097 1.00 22.45 ? ? ? ? ? ? 38 PRO K CD 1 +ATOM 20174 N N . TYR K 1 40 ? 43.426 124.077 87.435 1.00 19.51 ? ? ? ? ? ? 39 TYR K N 1 +ATOM 20175 C CA . TYR K 1 40 ? 43.250 122.928 88.324 1.00 18.89 ? ? ? ? ? ? 39 TYR K CA 1 +ATOM 20176 C C . TYR K 1 40 ? 41.868 122.379 88.200 1.00 18.53 ? ? ? ? ? ? 39 TYR K C 1 +ATOM 20177 O O . TYR K 1 40 ? 41.686 121.165 88.301 1.00 19.35 ? ? ? ? ? ? 39 TYR K O 1 +ATOM 20178 C CB . TYR K 1 40 ? 43.476 123.318 89.780 1.00 19.37 ? ? ? ? ? ? 39 TYR K CB 1 +ATOM 20179 C CG . TYR K 1 40 ? 44.899 123.170 90.228 1.00 18.38 ? ? ? ? ? ? 39 TYR K CG 1 +ATOM 20180 C CD1 . TYR K 1 40 ? 45.827 124.165 89.986 1.00 20.48 ? ? ? ? ? ? 39 TYR K CD1 1 +ATOM 20181 C CD2 . TYR K 1 40 ? 45.309 122.048 90.925 1.00 18.73 ? ? ? ? ? ? 39 TYR K CD2 1 +ATOM 20182 C CE1 . TYR K 1 40 ? 47.132 124.048 90.405 1.00 22.28 ? ? ? ? ? ? 39 TYR K CE1 1 +ATOM 20183 C CE2 . TYR K 1 40 ? 46.644 121.919 91.353 1.00 24.66 ? ? ? ? ? ? 39 TYR K CE2 1 +ATOM 20184 C CZ . TYR K 1 40 ? 47.547 122.930 91.077 1.00 20.36 ? ? ? ? ? ? 39 TYR K CZ 1 +ATOM 20185 O OH . TYR K 1 40 ? 48.867 122.842 91.521 1.00 25.07 ? ? ? ? ? ? 39 TYR K OH 1 +ATOM 20186 N N . LEU K 1 41 ? 40.890 123.267 87.965 1.00 18.35 ? ? ? ? ? ? 40 LEU K N 1 +ATOM 20187 C CA . LEU K 1 41 ? 39.511 122.844 87.819 1.00 17.64 ? ? ? ? ? ? 40 LEU K CA 1 +ATOM 20188 C C . LEU K 1 41 ? 39.058 122.604 86.376 1.00 17.83 ? ? ? ? ? ? 40 LEU K C 1 +ATOM 20189 O O . LEU K 1 41 ? 37.857 122.574 86.123 1.00 18.60 ? ? ? ? ? ? 40 LEU K O 1 +ATOM 20190 C CB . LEU K 1 41 ? 38.596 123.873 88.513 1.00 20.95 ? ? ? ? ? ? 40 LEU K CB 1 +ATOM 20191 C CG . LEU K 1 41 ? 38.631 123.908 90.051 1.00 19.63 ? ? ? ? ? ? 40 LEU K CG 1 +ATOM 20192 C CD1 . LEU K 1 41 ? 37.636 124.942 90.528 1.00 19.74 ? ? ? ? ? ? 40 LEU K CD1 1 +ATOM 20193 C CD2 . LEU K 1 41 ? 38.289 122.520 90.583 1.00 19.05 ? ? ? ? ? ? 40 LEU K CD2 1 +ATOM 20194 N N . THR K 1 42 ? 39.995 122.392 85.448 1.00 18.72 ? ? ? ? ? ? 41 THR K N 1 +ATOM 20195 C CA . THR K 1 42 ? 39.666 122.108 84.041 1.00 18.37 ? ? ? ? ? ? 41 THR K CA 1 +ATOM 20196 C C . THR K 1 42 ? 38.578 121.048 83.889 1.00 19.09 ? ? ? ? ? ? 41 THR K C 1 +ATOM 20197 O O . THR K 1 42 ? 37.661 121.203 83.069 1.00 18.18 ? ? ? ? ? ? 41 THR K O 1 +ATOM 20198 C CB . THR K 1 42 ? 40.912 121.669 83.222 1.00 20.44 ? ? ? ? ? ? 41 THR K CB 1 +ATOM 20199 O OG1 . THR K 1 42 ? 41.801 122.782 83.082 1.00 19.46 ? ? ? ? ? ? 41 THR K OG1 1 +ATOM 20200 C CG2 . THR K 1 42 ? 40.538 121.118 81.829 1.00 16.33 ? ? ? ? ? ? 41 THR K CG2 1 +ATOM 20201 N N . ASP K 1 43 ? 38.670 119.975 84.660 1.00 19.03 ? ? ? ? ? ? 42 ASP K N 1 +ATOM 20202 C CA . ASP K 1 43 ? 37.750 118.849 84.479 1.00 18.00 ? ? ? ? ? ? 42 ASP K CA 1 +ATOM 20203 C C . ASP K 1 43 ? 36.372 119.092 85.005 1.00 18.40 ? ? ? ? ? ? 42 ASP K C 1 +ATOM 20204 O O . ASP K 1 43 ? 35.479 118.301 84.704 1.00 18.47 ? ? ? ? ? ? 42 ASP K O 1 +ATOM 20205 C CB . ASP K 1 43 ? 38.272 117.602 85.163 1.00 19.23 ? ? ? ? ? ? 42 ASP K CB 1 +ATOM 20206 C CG . ASP K 1 43 ? 39.466 117.049 84.504 1.00 20.37 ? ? ? ? ? ? 42 ASP K CG 1 +ATOM 20207 O OD1 . ASP K 1 43 ? 39.792 117.439 83.336 1.00 23.63 ? ? ? ? ? ? 42 ASP K OD1 1 +ATOM 20208 O OD2 . ASP K 1 43 ? 40.049 116.167 85.135 1.00 22.77 ? ? ? ? ? ? 42 ASP K OD2 1 +ATOM 20209 N N . CYS K 1 44 ? 36.207 120.140 85.819 1.00 18.63 ? ? ? ? ? ? 43 CYS K N 1 +ATOM 20210 C CA . CYS K 1 44 ? 34.887 120.596 86.262 1.00 19.83 ? ? ? ? ? ? 43 CYS K CA 1 +ATOM 20211 C C . CYS K 1 44 ? 34.273 121.610 85.314 1.00 19.44 ? ? ? ? ? ? 43 CYS K C 1 +ATOM 20212 O O . CYS K 1 44 ? 33.056 121.600 85.062 1.00 19.04 ? ? ? ? ? ? 43 CYS K O 1 +ATOM 20213 C CB . CYS K 1 44 ? 34.987 121.299 87.623 1.00 21.06 ? ? ? ? ? ? 43 CYS K CB 1 +ATOM 20214 S SG . CYS K 1 44 ? 35.308 120.241 89.023 1.00 22.08 ? ? ? ? ? ? 43 CYS K SG 1 +ATOM 20215 N N . ILE K 1 45 ? 35.115 122.531 84.868 1.00 18.83 ? ? ? ? ? ? 44 ILE K N 1 +ATOM 20216 C CA . ILE K 1 45 ? 34.707 123.665 84.031 1.00 18.91 ? ? ? ? ? ? 44 ILE K CA 1 +ATOM 20217 C C . ILE K 1 45 ? 34.214 123.176 82.687 1.00 19.64 ? ? ? ? ? ? 44 ILE K C 1 +ATOM 20218 O O . ILE K 1 45 ? 33.154 123.611 82.210 1.00 20.84 ? ? ? ? ? ? 44 ILE K O 1 +ATOM 20219 C CB . ILE K 1 45 ? 35.892 124.661 83.819 1.00 19.94 ? ? ? ? ? ? 44 ILE K CB 1 +ATOM 20220 C CG1 . ILE K 1 45 ? 36.289 125.346 85.137 1.00 22.06 ? ? ? ? ? ? 44 ILE K CG1 1 +ATOM 20221 C CG2 . ILE K 1 45 ? 35.582 125.748 82.745 1.00 17.20 ? ? ? ? ? ? 44 ILE K CG2 1 +ATOM 20222 C CD1 . ILE K 1 45 ? 37.717 125.968 85.100 1.00 19.17 ? ? ? ? ? ? 44 ILE K CD1 1 +ATOM 20223 N N . LEU K 1 46 ? 34.980 122.294 82.056 1.00 19.31 ? ? ? ? ? ? 45 LEU K N 1 +ATOM 20224 C CA . LEU K 1 46 ? 34.638 121.868 80.678 1.00 19.28 ? ? ? ? ? ? 45 LEU K CA 1 +ATOM 20225 C C . LEU K 1 46 ? 33.298 121.161 80.583 1.00 18.47 ? ? ? ? ? ? 45 LEU K C 1 +ATOM 20226 O O . LEU K 1 46 ? 32.473 121.584 79.767 1.00 18.70 ? ? ? ? ? ? 45 LEU K O 1 +ATOM 20227 C CB . LEU K 1 46 ? 35.760 121.065 80.014 1.00 16.68 ? ? ? ? ? ? 45 LEU K CB 1 +ATOM 20228 C CG . LEU K 1 46 ? 36.992 121.939 79.792 1.00 19.39 ? ? ? ? ? ? 45 LEU K CG 1 +ATOM 20229 C CD1 . LEU K 1 46 ? 37.978 121.131 78.989 1.00 16.25 ? ? ? ? ? ? 45 LEU K CD1 1 +ATOM 20230 C CD2 . LEU K 1 46 ? 36.709 123.375 79.145 1.00 14.45 ? ? ? ? ? ? 45 LEU K CD2 1 +ATOM 20231 N N . PRO K 1 47 ? 33.068 120.087 81.377 1.00 18.60 ? ? ? ? ? ? 46 PRO K N 1 +ATOM 20232 C CA . PRO K 1 47 ? 31.740 119.458 81.306 1.00 18.76 ? ? ? ? ? ? 46 PRO K CA 1 +ATOM 20233 C C . PRO K 1 47 ? 30.596 120.358 81.709 1.00 18.53 ? ? ? ? ? ? 46 PRO K C 1 +ATOM 20234 O O . PRO K 1 47 ? 29.473 120.215 81.188 1.00 20.94 ? ? ? ? ? ? 46 PRO K O 1 +ATOM 20235 C CB . PRO K 1 47 ? 31.827 118.273 82.292 1.00 19.41 ? ? ? ? ? ? 46 PRO K CB 1 +ATOM 20236 C CG . PRO K 1 47 ? 33.057 118.515 83.088 1.00 19.01 ? ? ? ? ? ? 46 PRO K CG 1 +ATOM 20237 C CD . PRO K 1 47 ? 33.970 119.352 82.273 1.00 18.88 ? ? ? ? ? ? 46 PRO K CD 1 +ATOM 20238 N N . HIS K 1 48 ? 30.852 121.234 82.668 1.00 19.68 ? ? ? ? ? ? 47 HIS K N 1 +ATOM 20239 C CA . HIS K 1 48 ? 29.863 122.183 83.092 1.00 21.10 ? ? ? ? ? ? 47 HIS K CA 1 +ATOM 20240 C C . HIS K 1 48 ? 29.417 123.025 81.928 1.00 19.46 ? ? ? ? ? ? 47 HIS K C 1 +ATOM 20241 O O . HIS K 1 48 ? 28.219 123.167 81.681 1.00 18.99 ? ? ? ? ? ? 47 HIS K O 1 +ATOM 20242 C CB . HIS K 1 48 ? 30.404 123.110 84.192 1.00 22.06 ? ? ? ? ? ? 47 HIS K CB 1 +ATOM 20243 C CG . HIS K 1 48 ? 29.453 124.202 84.558 1.00 23.59 ? ? ? ? ? ? 47 HIS K CG 1 +ATOM 20244 N ND1 . HIS K 1 48 ? 29.469 125.438 83.946 1.00 26.93 ? ? ? ? ? ? 47 HIS K ND1 1 +ATOM 20245 C CD2 . HIS K 1 48 ? 28.423 124.229 85.438 1.00 25.80 ? ? ? ? ? ? 47 HIS K CD2 1 +ATOM 20246 C CE1 . HIS K 1 48 ? 28.500 126.185 84.448 1.00 24.90 ? ? ? ? ? ? 47 HIS K CE1 1 +ATOM 20247 N NE2 . HIS K 1 48 ? 27.850 125.474 85.353 1.00 26.92 ? ? ? ? ? ? 47 HIS K NE2 1 +ATOM 20248 N N . ASP K 1 49 ? 30.376 123.627 81.242 1.00 20.79 ? ? ? ? ? ? 48 ASP K N 1 +ATOM 20249 C CA . ASP K 1 49 ? 30.062 124.565 80.155 1.00 21.25 ? ? ? ? ? ? 48 ASP K CA 1 +ATOM 20250 C C . ASP K 1 49 ? 29.401 123.876 78.972 1.00 20.68 ? ? ? ? ? ? 48 ASP K C 1 +ATOM 20251 O O . ASP K 1 49 ? 28.479 124.427 78.368 1.00 21.37 ? ? ? ? ? ? 48 ASP K O 1 +ATOM 20252 C CB . ASP K 1 49 ? 31.313 125.341 79.717 1.00 21.89 ? ? ? ? ? ? 48 ASP K CB 1 +ATOM 20253 C CG . ASP K 1 49 ? 31.738 126.422 80.752 1.00 26.07 ? ? ? ? ? ? 48 ASP K CG 1 +ATOM 20254 O OD1 . ASP K 1 49 ? 31.004 126.626 81.747 1.00 33.46 ? ? ? ? ? ? 48 ASP K OD1 1 +ATOM 20255 O OD2 . ASP K 1 49 ? 32.794 127.067 80.579 1.00 26.77 ? ? ? ? ? ? 48 ASP K OD2 1 +ATOM 20256 N N . ILE K 1 50 ? 29.874 122.678 78.646 1.00 19.79 ? ? ? ? ? ? 49 ILE K N 1 +ATOM 20257 C CA . ILE K 1 50 ? 29.294 121.868 77.574 1.00 18.66 ? ? ? ? ? ? 49 ILE K CA 1 +ATOM 20258 C C . ILE K 1 50 ? 27.861 121.474 77.911 1.00 19.83 ? ? ? ? ? ? 49 ILE K C 1 +ATOM 20259 O O . ILE K 1 50 ? 26.992 121.558 77.057 1.00 20.24 ? ? ? ? ? ? 49 ILE K O 1 +ATOM 20260 C CB . ILE K 1 50 ? 30.137 120.608 77.304 1.00 21.12 ? ? ? ? ? ? 49 ILE K CB 1 +ATOM 20261 C CG1 . ILE K 1 50 ? 31.449 121.017 76.636 1.00 18.36 ? ? ? ? ? ? 49 ILE K CG1 1 +ATOM 20262 C CG2 . ILE K 1 50 ? 29.347 119.535 76.475 1.00 17.11 ? ? ? ? ? ? 49 ILE K CG2 1 +ATOM 20263 C CD1 . ILE K 1 50 ? 32.608 119.995 76.778 1.00 19.54 ? ? ? ? ? ? 49 ILE K CD1 1 +ATOM 20264 N N . ALA K 1 51 ? 27.625 121.057 79.160 1.00 19.93 ? ? ? ? ? ? 50 ALA K N 1 +ATOM 20265 C CA . ALA K 1 51 ? 26.291 120.681 79.607 1.00 19.60 ? ? ? ? ? ? 50 ALA K CA 1 +ATOM 20266 C C . ALA K 1 51 ? 25.307 121.867 79.571 1.00 19.18 ? ? ? ? ? ? 50 ALA K C 1 +ATOM 20267 O O . ALA K 1 51 ? 24.144 121.719 79.207 1.00 19.96 ? ? ? ? ? ? 50 ALA K O 1 +ATOM 20268 C CB . ALA K 1 51 ? 26.352 120.029 81.044 1.00 16.92 ? ? ? ? ? ? 50 ALA K CB 1 +ATOM 20269 N N . VAL K 1 52 ? 25.757 123.040 79.983 1.00 19.93 ? ? ? ? ? ? 51 VAL K N 1 +ATOM 20270 C CA . VAL K 1 52 ? 24.880 124.194 79.969 1.00 20.57 ? ? ? ? ? ? 51 VAL K CA 1 +ATOM 20271 C C . VAL K 1 52 ? 24.473 124.511 78.513 1.00 21.21 ? ? ? ? ? ? 51 VAL K C 1 +ATOM 20272 O O . VAL K 1 52 ? 23.286 124.706 78.260 1.00 21.17 ? ? ? ? ? ? 51 VAL K O 1 +ATOM 20273 C CB . VAL K 1 52 ? 25.478 125.404 80.721 1.00 22.44 ? ? ? ? ? ? 51 VAL K CB 1 +ATOM 20274 C CG1 . VAL K 1 52 ? 24.568 126.660 80.535 1.00 21.32 ? ? ? ? ? ? 51 VAL K CG1 1 +ATOM 20275 C CG2 . VAL K 1 52 ? 25.629 125.080 82.236 1.00 16.79 ? ? ? ? ? ? 51 VAL K CG2 1 +ATOM 20276 N N . GLU K 1 53 ? 25.435 124.506 77.572 1.00 21.47 ? ? ? ? ? ? 52 GLU K N 1 +ATOM 20277 C CA . GLU K 1 53 ? 25.133 124.657 76.141 1.00 24.18 ? ? ? ? ? ? 52 GLU K CA 1 +ATOM 20278 C C . GLU K 1 53 ? 24.148 123.620 75.610 1.00 21.85 ? ? ? ? ? ? 52 GLU K C 1 +ATOM 20279 O O . GLU K 1 53 ? 23.196 123.953 74.895 1.00 22.85 ? ? ? ? ? ? 52 GLU K O 1 +ATOM 20280 C CB . GLU K 1 53 ? 26.390 124.519 75.305 1.00 27.01 ? ? ? ? ? ? 52 GLU K CB 1 +ATOM 20281 C CG . GLU K 1 53 ? 27.147 125.799 75.056 1.00 37.93 ? ? ? ? ? ? 52 GLU K CG 1 +ATOM 20282 C CD . GLU K 1 53 ? 28.021 125.705 73.815 1.00 38.31 ? ? ? ? ? ? 52 GLU K CD 1 +ATOM 20283 O OE1 . GLU K 1 53 ? 29.241 125.537 73.962 1.00 36.95 ? ? ? ? ? ? 52 GLU K OE1 1 +ATOM 20284 O OE2 . GLU K 1 53 ? 27.483 125.766 72.686 1.00 51.71 ? ? ? ? ? ? 52 GLU K OE2 1 +ATOM 20285 N N . ALA K 1 54 ? 24.414 122.354 75.915 1.00 20.79 ? ? ? ? ? ? 53 ALA K N 1 +ATOM 20286 C CA . ALA K 1 54 ? 23.523 121.271 75.515 1.00 18.92 ? ? ? ? ? ? 53 ALA K CA 1 +ATOM 20287 C C . ALA K 1 54 ? 22.109 121.482 76.051 1.00 20.14 ? ? ? ? ? ? 53 ALA K C 1 +ATOM 20288 O O . ALA K 1 54 ? 21.101 121.241 75.340 1.00 20.90 ? ? ? ? ? ? 53 ALA K O 1 +ATOM 20289 C CB . ALA K 1 54 ? 24.061 119.982 76.019 1.00 16.61 ? ? ? ? ? ? 53 ALA K CB 1 +ATOM 20290 N N . ALA K 1 55 ? 22.030 121.911 77.313 1.00 20.14 ? ? ? ? ? ? 54 ALA K N 1 +ATOM 20291 C CA . ALA K 1 55 ? 20.747 122.164 77.989 1.00 21.13 ? ? ? ? ? ? 54 ALA K CA 1 +ATOM 20292 C C . ALA K 1 55 ? 19.976 123.329 77.346 1.00 20.80 ? ? ? ? ? ? 54 ALA K C 1 +ATOM 20293 O O . ALA K 1 55 ? 18.765 123.288 77.184 1.00 21.63 ? ? ? ? ? ? 54 ALA K O 1 +ATOM 20294 C CB . ALA K 1 55 ? 20.985 122.410 79.470 1.00 16.85 ? ? ? ? ? ? 54 ALA K CB 1 +ATOM 20295 N N . GLU K 1 56 ? 20.708 124.357 76.952 1.00 22.72 ? ? ? ? ? ? 55 GLU K N 1 +ATOM 20296 C CA . GLU K 1 56 ? 20.129 125.485 76.228 1.00 24.21 ? ? ? ? ? ? 55 GLU K CA 1 +ATOM 20297 C C . GLU K 1 56 ? 19.567 125.030 74.853 1.00 23.98 ? ? ? ? ? ? 55 GLU K C 1 +ATOM 20298 O O . GLU K 1 56 ? 18.458 125.431 74.460 1.00 23.55 ? ? ? ? ? ? 55 GLU K O 1 +ATOM 20299 C CB . GLU K 1 56 ? 21.188 126.585 76.073 1.00 24.13 ? ? ? ? ? ? 55 GLU K CB 1 +ATOM 20300 C CG . GLU K 1 56 ? 21.547 127.264 77.405 1.00 26.67 ? ? ? ? ? ? 55 GLU K CG 1 +ATOM 20301 C CD . GLU K 1 56 ? 22.642 128.346 77.301 1.00 28.90 ? ? ? ? ? ? 55 GLU K CD 1 +ATOM 20302 O OE1 . GLU K 1 56 ? 23.696 128.124 76.643 1.00 35.06 ? ? ? ? ? ? 55 GLU K OE1 1 +ATOM 20303 O OE2 . GLU K 1 56 ? 22.465 129.415 77.928 1.00 37.26 ? ? ? ? ? ? 55 GLU K OE2 1 +ATOM 20304 N N . LEU K 1 57 ? 20.317 124.188 74.139 1.00 23.74 ? ? ? ? ? ? 56 LEU K N 1 +ATOM 20305 C CA . LEU K 1 57 ? 19.851 123.662 72.852 1.00 23.33 ? ? ? ? ? ? 56 LEU K CA 1 +ATOM 20306 C C . LEU K 1 57 ? 18.615 122.784 72.996 1.00 24.74 ? ? ? ? ? ? 56 LEU K C 1 +ATOM 20307 O O . LEU K 1 57 ? 17.676 122.880 72.205 1.00 25.86 ? ? ? ? ? ? 56 LEU K O 1 +ATOM 20308 C CB . LEU K 1 57 ? 20.979 122.894 72.134 1.00 25.11 ? ? ? ? ? ? 56 LEU K CB 1 +ATOM 20309 C CG . LEU K 1 57 ? 20.666 122.230 70.775 1.00 26.05 ? ? ? ? ? ? 56 LEU K CG 1 +ATOM 20310 C CD1 . LEU K 1 57 ? 19.919 123.237 69.825 1.00 25.67 ? ? ? ? ? ? 56 LEU K CD1 1 +ATOM 20311 C CD2 . LEU K 1 57 ? 21.960 121.719 70.166 1.00 20.07 ? ? ? ? ? ? 56 LEU K CD2 1 +ATOM 20312 N N . ALA K 1 58 ? 18.610 121.902 73.989 1.00 24.75 ? ? ? ? ? ? 57 ALA K N 1 +ATOM 20313 C CA . ALA K 1 58 ? 17.454 121.030 74.225 1.00 23.93 ? ? ? ? ? ? 57 ALA K CA 1 +ATOM 20314 C C . ALA K 1 58 ? 16.219 121.843 74.556 1.00 24.80 ? ? ? ? ? ? 57 ALA K C 1 +ATOM 20315 O O . ALA K 1 58 ? 15.105 121.490 74.155 1.00 25.79 ? ? ? ? ? ? 57 ALA K O 1 +ATOM 20316 C CB . ALA K 1 58 ? 17.742 120.022 75.353 1.00 20.53 ? ? ? ? ? ? 57 ALA K CB 1 +ATOM 20317 N N . LEU K 1 59 ? 16.409 122.920 75.311 1.00 24.87 ? ? ? ? ? ? 58 LEU K N 1 +ATOM 20318 C CA . LEU K 1 59 ? 15.284 123.797 75.684 1.00 25.77 ? ? ? ? ? ? 58 LEU K CA 1 +ATOM 20319 C C . LEU K 1 59 ? 14.755 124.594 74.502 1.00 26.83 ? ? ? ? ? ? 58 LEU K C 1 +ATOM 20320 O O . LEU K 1 59 ? 13.557 124.656 74.312 1.00 27.42 ? ? ? ? ? ? 58 LEU K O 1 +ATOM 20321 C CB . LEU K 1 59 ? 15.633 124.732 76.849 1.00 24.16 ? ? ? ? ? ? 58 LEU K CB 1 +ATOM 20322 C CG . LEU K 1 59 ? 14.474 125.552 77.456 1.00 25.75 ? ? ? ? ? ? 58 LEU K CG 1 +ATOM 20323 C CD1 . LEU K 1 59 ? 13.371 124.670 78.068 1.00 22.43 ? ? ? ? ? ? 58 LEU K CD1 1 +ATOM 20324 C CD2 . LEU K 1 59 ? 15.007 126.569 78.467 1.00 24.17 ? ? ? ? ? ? 58 LEU K CD2 1 +ATOM 20325 N N . SER K 1 60 ? 15.632 125.193 73.697 1.00 28.23 ? ? ? ? ? ? 59 SER K N 1 +ATOM 20326 C CA . SER K 1 60 ? 15.163 126.054 72.598 1.00 31.09 ? ? ? ? ? ? 59 SER K CA 1 +ATOM 20327 C C . SER K 1 60 ? 14.532 125.223 71.495 1.00 31.99 ? ? ? ? ? ? 59 SER K C 1 +ATOM 20328 O O . SER K 1 60 ? 13.526 125.630 70.902 1.00 34.20 ? ? ? ? ? ? 59 SER K O 1 +ATOM 20329 C CB . SER K 1 60 ? 16.278 126.914 72.030 1.00 28.36 ? ? ? ? ? ? 59 SER K CB 1 +ATOM 20330 O OG . SER K 1 60 ? 17.330 126.111 71.548 1.00 37.94 ? ? ? ? ? ? 59 SER K OG 1 +ATOM 20331 N N . ARG K 1 61 ? 15.108 124.050 71.252 1.00 32.13 ? ? ? ? ? ? 60 ARG K N 1 +ATOM 20332 C CA . ARG K 1 61 ? 14.719 123.196 70.139 1.00 32.13 ? ? ? ? ? ? 60 ARG K CA 1 +ATOM 20333 C C . ARG K 1 61 ? 13.458 122.369 70.423 1.00 31.84 ? ? ? ? ? ? 60 ARG K C 1 +ATOM 20334 O O . ARG K 1 61 ? 12.575 122.293 69.571 1.00 32.92 ? ? ? ? ? ? 60 ARG K O 1 +ATOM 20335 C CB . ARG K 1 61 ? 15.874 122.290 69.765 1.00 30.20 ? ? ? ? ? ? 60 ARG K CB 1 +ATOM 20336 C CG . ARG K 1 61 ? 15.526 121.337 68.668 1.00 34.59 ? ? ? ? ? ? 60 ARG K CG 1 +ATOM 20337 C CD . ARG K 1 61 ? 16.755 120.847 68.013 1.00 35.61 ? ? ? ? ? ? 60 ARG K CD 1 +ATOM 20338 N NE . ARG K 1 61 ? 17.442 119.858 68.832 1.00 35.45 ? ? ? ? ? ? 60 ARG K NE 1 +ATOM 20339 C CZ . ARG K 1 61 ? 18.694 119.483 68.622 1.00 33.76 ? ? ? ? ? ? 60 ARG K CZ 1 +ATOM 20340 N NH1 . ARG K 1 61 ? 19.375 120.003 67.611 1.00 35.04 ? ? ? ? ? ? 60 ARG K NH1 1 +ATOM 20341 N NH2 . ARG K 1 61 ? 19.244 118.552 69.391 1.00 37.22 ? ? ? ? ? ? 60 ARG K NH2 1 +ATOM 20342 N N . SER K 1 62 ? 13.378 121.752 71.599 1.00 30.76 ? ? ? ? ? ? 61 SER K N 1 +ATOM 20343 C CA . SER K 1 62 ? 12.281 120.831 71.908 1.00 30.14 ? ? ? ? ? ? 61 SER K CA 1 +ATOM 20344 C C . SER K 1 62 ? 11.543 121.161 73.182 1.00 29.22 ? ? ? ? ? ? 61 SER K C 1 +ATOM 20345 O O . SER K 1 62 ? 10.628 120.433 73.590 1.00 29.15 ? ? ? ? ? ? 61 SER K O 1 +ATOM 20346 C CB . SER K 1 62 ? 12.805 119.402 72.012 1.00 28.41 ? ? ? ? ? ? 61 SER K CB 1 +ATOM 20347 O OG . SER K 1 62 ? 13.690 119.124 70.946 1.00 35.25 ? ? ? ? ? ? 61 SER K OG 1 +ATOM 20348 N N . GLY K 1 63 ? 11.920 122.244 73.836 1.00 28.32 ? ? ? ? ? ? 62 GLY K N 1 +ATOM 20349 C CA . GLY K 1 63 ? 11.286 122.575 75.126 1.00 28.59 ? ? ? ? ? ? 62 GLY K CA 1 +ATOM 20350 C C . GLY K 1 63 ? 11.527 121.523 76.207 1.00 28.14 ? ? ? ? ? ? 62 GLY K C 1 +ATOM 20351 O O . GLY K 1 63 ? 10.732 121.370 77.116 1.00 30.04 ? ? ? ? ? ? 62 GLY K O 1 +ATOM 20352 N N . VAL K 1 64 ? 12.633 120.794 76.106 1.00 27.77 ? ? ? ? ? ? 63 VAL K N 1 +ATOM 20353 C CA . VAL K 1 64 ? 13.066 119.859 77.151 1.00 25.83 ? ? ? ? ? ? 63 VAL K CA 1 +ATOM 20354 C C . VAL K 1 64 ? 13.969 120.655 78.110 1.00 25.14 ? ? ? ? ? ? 63 VAL K C 1 +ATOM 20355 O O . VAL K 1 64 ? 15.008 121.216 77.686 1.00 24.72 ? ? ? ? ? ? 63 VAL K O 1 +ATOM 20356 C CB . VAL K 1 64 ? 13.793 118.671 76.486 1.00 26.14 ? ? ? ? ? ? 63 VAL K CB 1 +ATOM 20357 C CG1 . VAL K 1 64 ? 14.540 117.813 77.502 1.00 26.11 ? ? ? ? ? ? 63 VAL K CG1 1 +ATOM 20358 C CG2 . VAL K 1 64 ? 12.796 117.850 75.664 1.00 24.07 ? ? ? ? ? ? 63 VAL K CG2 1 +ATOM 20359 N N . ARG K 1 65 ? 13.573 120.725 79.392 1.00 24.45 ? ? ? ? ? ? 64 ARG K N 1 +ATOM 20360 C CA . ARG K 1 65 ? 14.309 121.509 80.391 1.00 23.90 ? ? ? ? ? ? 64 ARG K CA 1 +ATOM 20361 C C . ARG K 1 65 ? 15.149 120.613 81.316 1.00 23.21 ? ? ? ? ? ? 64 ARG K C 1 +ATOM 20362 O O . ARG K 1 65 ? 14.626 119.718 82.005 1.00 22.09 ? ? ? ? ? ? 64 ARG K O 1 +ATOM 20363 C CB . ARG K 1 65 ? 13.354 122.366 81.247 1.00 25.62 ? ? ? ? ? ? 64 ARG K CB 1 +ATOM 20364 C CG . ARG K 1 65 ? 14.083 123.473 82.078 1.00 25.79 ? ? ? ? ? ? 64 ARG K CG 1 +ATOM 20365 C CD . ARG K 1 65 ? 13.113 124.311 82.952 1.00 26.63 ? ? ? ? ? ? 64 ARG K CD 1 +ATOM 20366 N NE . ARG K 1 65 ? 12.232 125.172 82.150 1.00 28.82 ? ? ? ? ? ? 64 ARG K NE 1 +ATOM 20367 C CZ . ARG K 1 65 ? 10.958 124.900 81.823 1.00 30.32 ? ? ? ? ? ? 64 ARG K CZ 1 +ATOM 20368 N NH1 . ARG K 1 65 ? 10.354 123.795 82.212 1.00 28.82 ? ? ? ? ? ? 64 ARG K NH1 1 +ATOM 20369 N NH2 . ARG K 1 65 ? 10.268 125.766 81.095 1.00 32.74 ? ? ? ? ? ? 64 ARG K NH2 1 +ATOM 20370 N N . CYS K 1 66 ? 16.445 120.890 81.331 1.00 22.48 ? ? ? ? ? ? 65 CYS K N 1 +ATOM 20371 C CA . CYS K 1 66 ? 17.403 120.152 82.125 1.00 23.40 ? ? ? ? ? ? 65 CYS K CA 1 +ATOM 20372 C C . CYS K 1 66 ? 18.139 121.091 83.066 1.00 23.03 ? ? ? ? ? ? 65 CYS K C 1 +ATOM 20373 O O . CYS K 1 66 ? 18.413 122.232 82.699 1.00 24.16 ? ? ? ? ? ? 65 CYS K O 1 +ATOM 20374 C CB . CYS K 1 66 ? 18.418 119.510 81.181 1.00 24.10 ? ? ? ? ? ? 65 CYS K CB 1 +ATOM 20375 S SG . CYS K 1 66 ? 17.670 118.445 79.939 1.00 25.01 ? ? ? ? ? ? 65 CYS K SG 1 +ATOM 20376 N N . MSE K 1 67 ? 18.464 120.608 84.267 1.00 21.17 ? ? ? ? ? ? 66 MSE K N 1 +ATOM 20377 C CA . MSE K 1 67 ? 19.216 121.388 85.229 1.00 19.12 ? ? ? ? ? ? 66 MSE K CA 1 +ATOM 20378 C C . MSE K 1 67 ? 20.610 120.802 85.362 1.00 18.95 ? ? ? ? ? ? 66 MSE K C 1 +ATOM 20379 O O . MSE K 1 67 ? 20.765 119.601 85.662 1.00 17.83 ? ? ? ? ? ? 66 MSE K O 1 +ATOM 20380 C CB . MSE K 1 67 ? 18.537 121.402 86.590 1.00 19.79 ? ? ? ? ? ? 66 MSE K CB 1 +ATOM 20381 C CG . MSE K 1 67 ? 19.340 122.151 87.619 1.00 21.62 ? ? ? ? ? ? 66 MSE K CG 1 +ATOM 20382 SE SE . MSE K 1 67 ? 19.614 124.016 87.147 0.75 18.95 ? ? ? ? ? ? 66 MSE K SE 1 +ATOM 20383 C CE . MSE K 1 67 ? 17.869 124.624 87.788 1.00 16.35 ? ? ? ? ? ? 66 MSE K CE 1 +ATOM 20384 N N . VAL K 1 68 ? 21.601 121.678 85.126 1.00 18.87 ? ? ? ? ? ? 67 VAL K N 1 +ATOM 20385 C CA . VAL K 1 68 ? 22.993 121.355 85.252 1.00 18.00 ? ? ? ? ? ? 67 VAL K CA 1 +ATOM 20386 C C . VAL K 1 68 ? 23.437 121.704 86.688 1.00 18.78 ? ? ? ? ? ? 67 VAL K C 1 +ATOM 20387 O O . VAL K 1 68 ? 23.514 122.857 87.099 1.00 18.90 ? ? ? ? ? ? 67 VAL K O 1 +ATOM 20388 C CB . VAL K 1 68 ? 23.853 122.072 84.212 1.00 17.45 ? ? ? ? ? ? 67 VAL K CB 1 +ATOM 20389 C CG1 . VAL K 1 68 ? 25.348 121.582 84.308 1.00 16.64 ? ? ? ? ? ? 67 VAL K CG1 1 +ATOM 20390 C CG2 . VAL K 1 68 ? 23.316 121.819 82.827 1.00 16.75 ? ? ? ? ? ? 67 VAL K CG2 1 +ATOM 20391 N N . MSE K 1 69 ? 23.707 120.664 87.448 1.00 18.55 ? ? ? ? ? ? 68 MSE K N 1 +ATOM 20392 C CA . MSE K 1 69 ? 24.074 120.813 88.848 1.00 18.76 ? ? ? ? ? ? 68 MSE K CA 1 +ATOM 20393 C C . MSE K 1 69 ? 25.455 121.422 88.931 1.00 19.10 ? ? ? ? ? ? 68 MSE K C 1 +ATOM 20394 O O . MSE K 1 69 ? 26.178 121.440 87.929 1.00 19.72 ? ? ? ? ? ? 68 MSE K O 1 +ATOM 20395 C CB . MSE K 1 69 ? 24.077 119.449 89.534 1.00 18.42 ? ? ? ? ? ? 68 MSE K CB 1 +ATOM 20396 C CG . MSE K 1 69 ? 22.737 118.818 89.589 1.00 21.91 ? ? ? ? ? ? 68 MSE K CG 1 +ATOM 20397 SE SE . MSE K 1 69 ? 21.435 119.829 90.608 0.75 28.14 ? ? ? ? ? ? 68 MSE K SE 1 +ATOM 20398 C CE . MSE K 1 69 ? 22.206 119.614 92.437 1.00 19.95 ? ? ? ? ? ? 68 MSE K CE 1 +ATOM 20399 N N . PRO K 1 70 ? 25.840 121.917 90.120 1.00 19.84 ? ? ? ? ? ? 69 PRO K N 1 +ATOM 20400 C CA . PRO K 1 70 ? 27.207 122.364 90.257 1.00 21.44 ? ? ? ? ? ? 69 PRO K CA 1 +ATOM 20401 C C . PRO K 1 70 ? 28.200 121.201 90.146 1.00 21.91 ? ? ? ? ? ? 69 PRO K C 1 +ATOM 20402 O O . PRO K 1 70 ? 27.911 120.099 90.611 1.00 20.94 ? ? ? ? ? ? 69 PRO K O 1 +ATOM 20403 C CB . PRO K 1 70 ? 27.237 122.967 91.670 1.00 23.96 ? ? ? ? ? ? 69 PRO K CB 1 +ATOM 20404 C CG . PRO K 1 70 ? 25.834 123.119 92.055 1.00 22.28 ? ? ? ? ? ? 69 PRO K CG 1 +ATOM 20405 C CD . PRO K 1 70 ? 25.110 122.029 91.388 1.00 19.00 ? ? ? ? ? ? 69 PRO K CD 1 +ATOM 20406 N N . PRO K 1 71 ? 29.379 121.443 89.556 1.00 22.61 ? ? ? ? ? ? 70 PRO K N 1 +ATOM 20407 C CA . PRO K 1 71 ? 30.378 120.383 89.361 1.00 21.53 ? ? ? ? ? ? 70 PRO K CA 1 +ATOM 20408 C C . PRO K 1 71 ? 30.973 119.811 90.649 1.00 21.98 ? ? ? ? ? ? 70 PRO K C 1 +ATOM 20409 O O . PRO K 1 71 ? 31.180 120.546 91.625 1.00 23.13 ? ? ? ? ? ? 70 PRO K O 1 +ATOM 20410 C CB . PRO K 1 71 ? 31.483 121.085 88.582 1.00 23.99 ? ? ? ? ? ? 70 PRO K CB 1 +ATOM 20411 C CG . PRO K 1 71 ? 30.854 122.360 88.021 1.00 22.86 ? ? ? ? ? ? 70 PRO K CG 1 +ATOM 20412 C CD . PRO K 1 71 ? 29.828 122.747 89.016 1.00 22.20 ? ? ? ? ? ? 70 PRO K CD 1 +ATOM 20413 N N . VAL K 1 72 ? 31.275 118.511 90.640 1.00 20.82 ? ? ? ? ? ? 71 VAL K N 1 +ATOM 20414 C CA . VAL K 1 72 ? 31.889 117.848 91.771 1.00 18.29 ? ? ? ? ? ? 71 VAL K CA 1 +ATOM 20415 C C . VAL K 1 72 ? 33.372 117.850 91.534 1.00 17.08 ? ? ? ? ? ? 71 VAL K C 1 +ATOM 20416 O O . VAL K 1 72 ? 33.818 117.274 90.553 1.00 17.52 ? ? ? ? ? ? 71 VAL K O 1 +ATOM 20417 C CB . VAL K 1 72 ? 31.437 116.386 91.881 1.00 19.50 ? ? ? ? ? ? 71 VAL K CB 1 +ATOM 20418 C CG1 . VAL K 1 72 ? 31.903 115.792 93.170 1.00 13.54 ? ? ? ? ? ? 71 VAL K CG1 1 +ATOM 20419 C CG2 . VAL K 1 72 ? 29.939 116.292 91.754 1.00 12.11 ? ? ? ? ? ? 71 VAL K CG2 1 +ATOM 20420 N N . PRO K 1 73 ? 34.152 118.512 92.408 1.00 16.94 ? ? ? ? ? ? 72 PRO K N 1 +ATOM 20421 C CA . PRO K 1 73 ? 35.602 118.632 92.153 1.00 18.12 ? ? ? ? ? ? 72 PRO K CA 1 +ATOM 20422 C C . PRO K 1 73 ? 36.466 117.510 92.710 1.00 18.29 ? ? ? ? ? ? 72 PRO K C 1 +ATOM 20423 O O . PRO K 1 73 ? 37.689 117.704 92.896 1.00 22.04 ? ? ? ? ? ? 72 PRO K O 1 +ATOM 20424 C CB . PRO K 1 73 ? 35.942 119.953 92.846 1.00 19.62 ? ? ? ? ? ? 72 PRO K CB 1 +ATOM 20425 C CG . PRO K 1 73 ? 35.101 119.916 94.066 1.00 21.98 ? ? ? ? ? ? 72 PRO K CG 1 +ATOM 20426 C CD . PRO K 1 73 ? 33.776 119.259 93.617 1.00 19.39 ? ? ? ? ? ? 72 PRO K CD 1 +ATOM 20427 N N . PHE K 1 74 ? 35.861 116.356 92.962 1.00 17.66 ? ? ? ? ? ? 73 PHE K N 1 +ATOM 20428 C CA . PHE K 1 74 ? 36.554 115.263 93.630 1.00 17.48 ? ? ? ? ? ? 73 PHE K CA 1 +ATOM 20429 C C . PHE K 1 74 ? 36.752 114.065 92.694 1.00 17.34 ? ? ? ? ? ? 73 PHE K C 1 +ATOM 20430 O O . PHE K 1 74 ? 35.874 113.254 92.526 1.00 17.99 ? ? ? ? ? ? 73 PHE K O 1 +ATOM 20431 C CB . PHE K 1 74 ? 35.776 114.868 94.881 1.00 18.32 ? ? ? ? ? ? 73 PHE K CB 1 +ATOM 20432 C CG . PHE K 1 74 ? 35.622 115.986 95.872 1.00 20.82 ? ? ? ? ? ? 73 PHE K CG 1 +ATOM 20433 C CD1 . PHE K 1 74 ? 36.731 116.453 96.591 1.00 23.86 ? ? ? ? ? ? 73 PHE K CD1 1 +ATOM 20434 C CD2 . PHE K 1 74 ? 34.383 116.566 96.095 1.00 17.59 ? ? ? ? ? ? 73 PHE K CD2 1 +ATOM 20435 C CE1 . PHE K 1 74 ? 36.598 117.505 97.482 1.00 22.64 ? ? ? ? ? ? 73 PHE K CE1 1 +ATOM 20436 C CE2 . PHE K 1 74 ? 34.235 117.616 96.983 1.00 20.59 ? ? ? ? ? ? 73 PHE K CE2 1 +ATOM 20437 C CZ . PHE K 1 74 ? 35.328 118.095 97.685 1.00 17.99 ? ? ? ? ? ? 73 PHE K CZ 1 +ATOM 20438 N N . GLY K 1 75 ? 37.931 113.971 92.100 1.00 18.30 ? ? ? ? ? ? 74 GLY K N 1 +ATOM 20439 C CA . GLY K 1 75 ? 38.269 112.900 91.175 1.00 17.37 ? ? ? ? ? ? 74 GLY K CA 1 +ATOM 20440 C C . GLY K 1 75 ? 39.190 111.857 91.764 1.00 17.19 ? ? ? ? ? ? 74 GLY K C 1 +ATOM 20441 O O . GLY K 1 75 ? 39.828 112.079 92.832 1.00 16.94 ? ? ? ? ? ? 74 GLY K O 1 +ATOM 20442 N N . ALA K 1 76 ? 39.249 110.716 91.078 1.00 16.48 ? ? ? ? ? ? 75 ALA K N 1 +ATOM 20443 C CA . ALA K 1 76 ? 40.105 109.596 91.444 1.00 16.91 ? ? ? ? ? ? 75 ALA K CA 1 +ATOM 20444 C C . ALA K 1 76 ? 41.397 109.726 90.649 1.00 18.30 ? ? ? ? ? ? 75 ALA K C 1 +ATOM 20445 O O . ALA K 1 76 ? 41.353 109.837 89.426 1.00 20.09 ? ? ? ? ? ? 75 ALA K O 1 +ATOM 20446 C CB . ALA K 1 76 ? 39.386 108.278 91.100 1.00 16.36 ? ? ? ? ? ? 75 ALA K CB 1 +ATOM 20447 N N . HIS K 1 77 ? 42.546 109.727 91.334 1.00 19.73 ? ? ? ? ? ? 76 HIS K N 1 +ATOM 20448 C CA . HIS K 1 77 ? 43.849 110.029 90.730 1.00 19.35 ? ? ? ? ? ? 76 HIS K CA 1 +ATOM 20449 C C . HIS K 1 77 ? 44.877 108.906 90.848 1.00 20.76 ? ? ? ? ? ? 76 HIS K C 1 +ATOM 20450 O O . HIS K 1 77 ? 44.629 107.889 91.473 1.00 20.03 ? ? ? ? ? ? 76 HIS K O 1 +ATOM 20451 C CB . HIS K 1 77 ? 44.368 111.314 91.346 1.00 21.38 ? ? ? ? ? ? 76 HIS K CB 1 +ATOM 20452 C CG . HIS K 1 77 ? 43.540 112.487 90.951 1.00 20.99 ? ? ? ? ? ? 76 HIS K CG 1 +ATOM 20453 N ND1 . HIS K 1 77 ? 43.522 112.960 89.656 1.00 23.52 ? ? ? ? ? ? 76 HIS K ND1 1 +ATOM 20454 C CD2 . HIS K 1 77 ? 42.588 113.177 91.623 1.00 23.11 ? ? ? ? ? ? 76 HIS K CD2 1 +ATOM 20455 C CE1 . HIS K 1 77 ? 42.641 113.943 89.572 1.00 25.19 ? ? ? ? ? ? 76 HIS K CE1 1 +ATOM 20456 N NE2 . HIS K 1 77 ? 42.065 114.097 90.753 1.00 18.65 ? ? ? ? ? ? 76 HIS K NE2 1 +ATOM 20457 N N . ASN K 1 78 ? 46.010 109.087 90.184 1.00 20.60 ? ? ? ? ? ? 77 ASN K N 1 +ATOM 20458 C CA . ASN K 1 78 ? 46.980 108.019 89.977 1.00 21.10 ? ? ? ? ? ? 77 ASN K CA 1 +ATOM 20459 C C . ASN K 1 78 ? 48.147 108.191 90.902 1.00 21.70 ? ? ? ? ? ? 77 ASN K C 1 +ATOM 20460 O O . ASN K 1 78 ? 48.327 109.274 91.469 1.00 22.24 ? ? ? ? ? ? 77 ASN K O 1 +ATOM 20461 C CB . ASN K 1 78 ? 47.483 108.049 88.531 1.00 20.24 ? ? ? ? ? ? 77 ASN K CB 1 +ATOM 20462 C CG . ASN K 1 78 ? 46.521 107.396 87.544 1.00 23.02 ? ? ? ? ? ? 77 ASN K CG 1 +ATOM 20463 O OD1 . ASN K 1 78 ? 45.313 107.543 87.648 1.00 26.41 ? ? ? ? ? ? 77 ASN K OD1 1 +ATOM 20464 N ND2 . ASN K 1 78 ? 47.071 106.707 86.552 1.00 26.18 ? ? ? ? ? ? 77 ASN K ND2 1 +ATOM 20465 N N . PRO K 1 79 ? 48.974 107.146 91.056 1.00 23.35 ? ? ? ? ? ? 78 PRO K N 1 +ATOM 20466 C CA . PRO K 1 79 ? 50.208 107.302 91.820 1.00 23.31 ? ? ? ? ? ? 78 PRO K CA 1 +ATOM 20467 C C . PRO K 1 79 ? 51.068 108.415 91.225 1.00 23.07 ? ? ? ? ? ? 78 PRO K C 1 +ATOM 20468 O O . PRO K 1 79 ? 51.102 108.613 90.005 1.00 23.30 ? ? ? ? ? ? 78 PRO K O 1 +ATOM 20469 C CB . PRO K 1 79 ? 50.900 105.952 91.651 1.00 23.91 ? ? ? ? ? ? 78 PRO K CB 1 +ATOM 20470 C CG . PRO K 1 79 ? 49.805 105.021 91.391 1.00 24.25 ? ? ? ? ? ? 78 PRO K CG 1 +ATOM 20471 C CD . PRO K 1 79 ? 48.840 105.777 90.550 1.00 24.34 ? ? ? ? ? ? 78 PRO K CD 1 +ATOM 20472 N N . GLY K 1 80 ? 51.727 109.160 92.089 1.00 22.51 ? ? ? ? ? ? 79 GLY K N 1 +ATOM 20473 C CA . GLY K 1 80 ? 52.502 110.317 91.643 1.00 23.95 ? ? ? ? ? ? 79 GLY K CA 1 +ATOM 20474 C C . GLY K 1 80 ? 51.720 111.607 91.555 1.00 23.96 ? ? ? ? ? ? 79 GLY K C 1 +ATOM 20475 O O . GLY K 1 80 ? 52.319 112.680 91.582 1.00 26.47 ? ? ? ? ? ? 79 GLY K O 1 +ATOM 20476 N N . GLN K 1 81 ? 50.397 111.538 91.473 1.00 23.37 ? ? ? ? ? ? 80 GLN K N 1 +ATOM 20477 C CA . GLN K 1 81 ? 49.604 112.770 91.356 1.00 23.98 ? ? ? ? ? ? 80 GLN K CA 1 +ATOM 20478 C C . GLN K 1 81 ? 49.252 113.434 92.689 1.00 24.75 ? ? ? ? ? ? 80 GLN K C 1 +ATOM 20479 O O . GLN K 1 81 ? 49.162 114.664 92.772 1.00 24.74 ? ? ? ? ? ? 80 GLN K O 1 +ATOM 20480 C CB . GLN K 1 81 ? 48.319 112.522 90.607 1.00 24.73 ? ? ? ? ? ? 80 GLN K CB 1 +ATOM 20481 C CG . GLN K 1 81 ? 48.475 112.481 89.129 1.00 25.25 ? ? ? ? ? ? 80 GLN K CG 1 +ATOM 20482 C CD . GLN K 1 81 ? 47.131 112.374 88.460 1.00 25.53 ? ? ? ? ? ? 80 GLN K CD 1 +ATOM 20483 O OE1 . GLN K 1 81 ? 46.420 111.349 88.592 1.00 26.00 ? ? ? ? ? ? 80 GLN K OE1 1 +ATOM 20484 N NE2 . GLN K 1 81 ? 46.754 113.428 87.750 1.00 21.30 ? ? ? ? ? ? 80 GLN K NE2 1 +ATOM 20485 N N . ARG K 1 82 ? 49.037 112.615 93.708 1.00 24.29 ? ? ? ? ? ? 81 ARG K N 1 +ATOM 20486 C CA . ARG K 1 82 ? 48.665 113.101 95.027 1.00 26.58 ? ? ? ? ? ? 81 ARG K CA 1 +ATOM 20487 C C . ARG K 1 82 ? 49.772 113.973 95.690 1.00 26.62 ? ? ? ? ? ? 81 ARG K C 1 +ATOM 20488 O O . ARG K 1 82 ? 49.481 114.886 96.456 1.00 27.34 ? ? ? ? ? ? 81 ARG K O 1 +ATOM 20489 C CB . ARG K 1 82 ? 48.289 111.882 95.890 1.00 27.64 ? ? ? ? ? ? 81 ARG K CB 1 +ATOM 20490 C CG . ARG K 1 82 ? 47.556 112.183 97.150 1.00 30.48 ? ? ? ? ? ? 81 ARG K CG 1 +ATOM 20491 C CD . ARG K 1 82 ? 47.236 110.927 97.951 1.00 28.38 ? ? ? ? ? ? 81 ARG K CD 1 +ATOM 20492 N NE . ARG K 1 82 ? 48.418 110.109 98.273 1.00 36.05 ? ? ? ? ? ? 81 ARG K NE 1 +ATOM 20493 C CZ . ARG K 1 82 ? 48.439 109.148 99.205 1.00 37.77 ? ? ? ? ? ? 81 ARG K CZ 1 +ATOM 20494 N NH1 . ARG K 1 82 ? 47.372 108.923 99.934 1.00 32.06 ? ? ? ? ? ? 81 ARG K NH1 1 +ATOM 20495 N NH2 . ARG K 1 82 ? 49.532 108.417 99.446 1.00 38.88 ? ? ? ? ? ? 81 ARG K NH2 1 +ATOM 20496 N N . GLU K 1 83 ? 51.035 113.691 95.369 1.00 26.77 ? ? ? ? ? ? 82 GLU K N 1 +ATOM 20497 C CA . GLU K 1 83 ? 52.161 114.491 95.834 1.00 30.00 ? ? ? ? ? ? 82 GLU K CA 1 +ATOM 20498 C C . GLU K 1 83 ? 52.294 115.862 95.139 1.00 26.99 ? ? ? ? ? ? 82 GLU K C 1 +ATOM 20499 O O . GLU K 1 83 ? 53.116 116.680 95.561 1.00 26.53 ? ? ? ? ? ? 82 GLU K O 1 +ATOM 20500 C CB . GLU K 1 83 ? 53.482 113.711 95.622 1.00 31.72 ? ? ? ? ? ? 82 GLU K CB 1 +ATOM 20501 C CG . GLU K 1 83 ? 53.898 113.652 94.145 1.00 36.96 ? ? ? ? ? ? 82 GLU K CG 1 +ATOM 20502 C CD . GLU K 1 83 ? 55.068 112.689 93.831 1.00 40.59 ? ? ? ? ? ? 82 GLU K CD 1 +ATOM 20503 O OE1 . GLU K 1 83 ? 54.917 111.468 94.083 1.00 55.48 ? ? ? ? ? ? 82 GLU K OE1 1 +ATOM 20504 O OE2 . GLU K 1 83 ? 56.114 113.156 93.281 1.00 52.27 ? ? ? ? ? ? 82 GLU K OE2 1 +ATOM 20505 N N . LEU K 1 84 ? 51.546 116.086 94.056 1.00 24.98 ? ? ? ? ? ? 83 LEU K N 1 +ATOM 20506 C CA . LEU K 1 84 ? 51.561 117.352 93.367 1.00 24.31 ? ? ? ? ? ? 83 LEU K CA 1 +ATOM 20507 C C . LEU K 1 84 ? 50.701 118.302 94.145 1.00 23.37 ? ? ? ? ? ? 83 LEU K C 1 +ATOM 20508 O O . LEU K 1 84 ? 49.613 117.932 94.578 1.00 22.09 ? ? ? ? ? ? 83 LEU K O 1 +ATOM 20509 C CB . LEU K 1 84 ? 51.037 117.218 91.931 1.00 24.97 ? ? ? ? ? ? 83 LEU K CB 1 +ATOM 20510 C CG . LEU K 1 84 ? 51.918 116.375 90.996 1.00 28.08 ? ? ? ? ? ? 83 LEU K CG 1 +ATOM 20511 C CD1 . LEU K 1 84 ? 51.196 116.071 89.720 1.00 22.42 ? ? ? ? ? ? 83 LEU K CD1 1 +ATOM 20512 C CD2 . LEU K 1 84 ? 53.306 117.067 90.737 1.00 29.35 ? ? ? ? ? ? 83 LEU K CD2 1 +ATOM 20513 N N . PRO K 1 85 ? 51.168 119.546 94.306 1.00 23.68 ? ? ? ? ? ? 84 PRO K N 1 +ATOM 20514 C CA . PRO K 1 85 ? 50.469 120.495 95.169 1.00 23.02 ? ? ? ? ? ? 84 PRO K CA 1 +ATOM 20515 C C . PRO K 1 85 ? 49.022 120.748 94.789 1.00 21.61 ? ? ? ? ? ? 84 PRO K C 1 +ATOM 20516 O O . PRO K 1 85 ? 48.702 120.992 93.621 1.00 21.73 ? ? ? ? ? ? 84 PRO K O 1 +ATOM 20517 C CB . PRO K 1 85 ? 51.301 121.782 95.050 1.00 24.54 ? ? ? ? ? ? 84 PRO K CB 1 +ATOM 20518 C CG . PRO K 1 85 ? 52.209 121.568 93.826 1.00 27.28 ? ? ? ? ? ? 84 PRO K CG 1 +ATOM 20519 C CD . PRO K 1 85 ? 52.415 120.112 93.734 1.00 25.01 ? ? ? ? ? ? 84 PRO K CD 1 +ATOM 20520 N N . PHE K 1 86 ? 48.162 120.670 95.793 1.00 21.33 ? ? ? ? ? ? 85 PHE K N 1 +ATOM 20521 C CA . PHE K 1 86 ? 46.717 120.896 95.649 1.00 21.09 ? ? ? ? ? ? 85 PHE K CA 1 +ATOM 20522 C C . PHE K 1 86 ? 45.909 119.894 94.804 1.00 20.76 ? ? ? ? ? ? 85 PHE K C 1 +ATOM 20523 O O . PHE K 1 86 ? 44.720 120.120 94.599 1.00 22.33 ? ? ? ? ? ? 85 PHE K O 1 +ATOM 20524 C CB . PHE K 1 86 ? 46.477 122.335 95.176 1.00 22.58 ? ? ? ? ? ? 85 PHE K CB 1 +ATOM 20525 C CG . PHE K 1 86 ? 47.387 123.319 95.816 1.00 21.61 ? ? ? ? ? ? 85 PHE K CG 1 +ATOM 20526 C CD1 . PHE K 1 86 ? 47.435 123.428 97.204 1.00 26.73 ? ? ? ? ? ? 85 PHE K CD1 1 +ATOM 20527 C CD2 . PHE K 1 86 ? 48.189 124.142 95.045 1.00 21.81 ? ? ? ? ? ? 85 PHE K CD2 1 +ATOM 20528 C CE1 . PHE K 1 86 ? 48.303 124.344 97.832 1.00 25.07 ? ? ? ? ? ? 85 PHE K CE1 1 +ATOM 20529 C CE2 . PHE K 1 86 ? 49.058 125.080 95.657 1.00 26.89 ? ? ? ? ? ? 85 PHE K CE2 1 +ATOM 20530 C CZ . PHE K 1 86 ? 49.107 125.181 97.046 1.00 23.36 ? ? ? ? ? ? 85 PHE K CZ 1 +ATOM 20531 N N . CYS K 1 87 ? 46.530 118.796 94.362 1.00 20.76 ? ? ? ? ? ? 86 CYS K N 1 +ATOM 20532 C CA . CYS K 1 87 ? 45.806 117.675 93.768 1.00 21.28 ? ? ? ? ? ? 86 CYS K CA 1 +ATOM 20533 C C . CYS K 1 87 ? 45.098 116.877 94.860 1.00 21.54 ? ? ? ? ? ? 86 CYS K C 1 +ATOM 20534 O O . CYS K 1 87 ? 45.732 116.515 95.855 1.00 23.15 ? ? ? ? ? ? 86 CYS K O 1 +ATOM 20535 C CB . CYS K 1 87 ? 46.757 116.740 93.002 1.00 21.08 ? ? ? ? ? ? 86 CYS K CB 1 +ATOM 20536 S SG . CYS K 1 87 ? 45.907 115.348 92.182 1.00 25.07 ? ? ? ? ? ? 86 CYS K SG 1 +ATOM 20537 N N . ILE K 1 88 ? 43.795 116.623 94.703 1.00 19.16 ? ? ? ? ? ? 87 ILE K N 1 +ATOM 20538 C CA . ILE K 1 88 ? 43.049 115.942 95.752 1.00 19.75 ? ? ? ? ? ? 87 ILE K CA 1 +ATOM 20539 C C . ILE K 1 88 ? 42.544 114.599 95.275 1.00 18.96 ? ? ? ? ? ? 87 ILE K C 1 +ATOM 20540 O O . ILE K 1 88 ? 41.618 114.573 94.465 1.00 19.08 ? ? ? ? ? ? 87 ILE K O 1 +ATOM 20541 C CB . ILE K 1 88 ? 41.827 116.769 96.228 1.00 19.47 ? ? ? ? ? ? 87 ILE K CB 1 +ATOM 20542 C CG1 . ILE K 1 88 ? 42.270 118.155 96.736 1.00 19.04 ? ? ? ? ? ? 87 ILE K CG1 1 +ATOM 20543 C CG2 . ILE K 1 88 ? 41.045 115.985 97.317 1.00 18.13 ? ? ? ? ? ? 87 ILE K CG2 1 +ATOM 20544 C CD1 . ILE K 1 88 ? 43.336 118.165 97.914 1.00 16.67 ? ? ? ? ? ? 87 ILE K CD1 1 +ATOM 20545 N N . HIS K 1 89 ? 43.162 113.506 95.749 1.00 18.44 ? ? ? ? ? ? 88 HIS K N 1 +ATOM 20546 C CA . HIS K 1 89 ? 42.711 112.143 95.419 1.00 18.03 ? ? ? ? ? ? 88 HIS K CA 1 +ATOM 20547 C C . HIS K 1 89 ? 41.495 111.780 96.279 1.00 17.71 ? ? ? ? ? ? 88 HIS K C 1 +ATOM 20548 O O . HIS K 1 89 ? 41.536 111.913 97.504 1.00 17.19 ? ? ? ? ? ? 88 HIS K O 1 +ATOM 20549 C CB . HIS K 1 89 ? 43.810 111.082 95.623 1.00 18.85 ? ? ? ? ? ? 88 HIS K CB 1 +ATOM 20550 C CG . HIS K 1 89 ? 43.288 109.676 95.476 1.00 22.38 ? ? ? ? ? ? 88 HIS K CG 1 +ATOM 20551 N ND1 . HIS K 1 89 ? 42.799 109.190 94.281 1.00 18.07 ? ? ? ? ? ? 88 HIS K ND1 1 +ATOM 20552 C CD2 . HIS K 1 89 ? 43.100 108.691 96.387 1.00 17.95 ? ? ? ? ? ? 88 HIS K CD2 1 +ATOM 20553 C CE1 . HIS K 1 89 ? 42.338 107.970 94.460 1.00 19.04 ? ? ? ? ? ? 88 HIS K CE1 1 +ATOM 20554 N NE2 . HIS K 1 89 ? 42.495 107.647 95.731 1.00 21.90 ? ? ? ? ? ? 88 HIS K NE2 1 +ATOM 20555 N N . THR K 1 90 ? 40.421 111.346 95.608 1.00 17.63 ? ? ? ? ? ? 89 THR K N 1 +ATOM 20556 C CA . THR K 1 90 ? 39.201 110.908 96.241 1.00 17.38 ? ? ? ? ? ? 89 THR K CA 1 +ATOM 20557 C C . THR K 1 90 ? 39.029 109.381 96.095 1.00 16.91 ? ? ? ? ? ? 89 THR K C 1 +ATOM 20558 O O . THR K 1 90 ? 39.018 108.840 94.978 1.00 17.77 ? ? ? ? ? ? 89 THR K O 1 +ATOM 20559 C CB . THR K 1 90 ? 38.006 111.622 95.584 1.00 17.19 ? ? ? ? ? ? 89 THR K CB 1 +ATOM 20560 O OG1 . THR K 1 90 ? 38.403 112.950 95.276 1.00 20.70 ? ? ? ? ? ? 89 THR K OG1 1 +ATOM 20561 C CG2 . THR K 1 90 ? 36.795 111.655 96.503 1.00 16.41 ? ? ? ? ? ? 89 THR K CG2 1 +ATOM 20562 N N . ARG K 1 91 ? 38.893 108.683 97.214 1.00 14.83 ? ? ? ? ? ? 90 ARG K N 1 +ATOM 20563 C CA . ARG K 1 91 ? 38.618 107.245 97.184 1.00 15.72 ? ? ? ? ? ? 90 ARG K CA 1 +ATOM 20564 C C . ARG K 1 91 ? 37.255 106.953 96.522 1.00 17.16 ? ? ? ? ? ? 90 ARG K C 1 +ATOM 20565 O O . ARG K 1 91 ? 36.354 107.795 96.543 1.00 16.22 ? ? ? ? ? ? 90 ARG K O 1 +ATOM 20566 C CB . ARG K 1 91 ? 38.576 106.720 98.608 1.00 16.33 ? ? ? ? ? ? 90 ARG K CB 1 +ATOM 20567 C CG . ARG K 1 91 ? 39.881 106.702 99.286 1.00 18.71 ? ? ? ? ? ? 90 ARG K CG 1 +ATOM 20568 C CD . ARG K 1 91 ? 39.704 106.359 100.766 1.00 21.02 ? ? ? ? ? ? 90 ARG K CD 1 +ATOM 20569 N NE . ARG K 1 91 ? 39.140 107.480 101.501 1.00 25.61 ? ? ? ? ? ? 90 ARG K NE 1 +ATOM 20570 C CZ . ARG K 1 91 ? 38.804 107.459 102.787 1.00 26.17 ? ? ? ? ? ? 90 ARG K CZ 1 +ATOM 20571 N NH1 . ARG K 1 91 ? 38.959 106.363 103.513 1.00 27.99 ? ? ? ? ? ? 90 ARG K NH1 1 +ATOM 20572 N NH2 . ARG K 1 91 ? 38.346 108.555 103.354 1.00 23.63 ? ? ? ? ? ? 90 ARG K NH2 1 +ATOM 20573 N N . TYR K 1 92 ? 37.122 105.757 95.934 1.00 17.63 ? ? ? ? ? ? 91 TYR K N 1 +ATOM 20574 C CA . TYR K 1 92 ? 35.885 105.330 95.316 1.00 17.62 ? ? ? ? ? ? 91 TYR K CA 1 +ATOM 20575 C C . TYR K 1 92 ? 34.774 105.475 96.308 1.00 15.38 ? ? ? ? ? ? 91 TYR K C 1 +ATOM 20576 O O . TYR K 1 92 ? 33.724 105.927 95.961 1.00 17.90 ? ? ? ? ? ? 91 TYR K O 1 +ATOM 20577 C CB . TYR K 1 92 ? 35.938 103.848 94.863 1.00 18.93 ? ? ? ? ? ? 91 TYR K CB 1 +ATOM 20578 C CG . TYR K 1 92 ? 34.852 103.456 93.885 1.00 18.57 ? ? ? ? ? ? 91 TYR K CG 1 +ATOM 20579 C CD1 . TYR K 1 92 ? 33.626 102.929 94.306 1.00 18.30 ? ? ? ? ? ? 91 TYR K CD1 1 +ATOM 20580 C CD2 . TYR K 1 92 ? 35.058 103.609 92.525 1.00 24.72 ? ? ? ? ? ? 91 TYR K CD2 1 +ATOM 20581 C CE1 . TYR K 1 92 ? 32.643 102.578 93.367 1.00 21.02 ? ? ? ? ? ? 91 TYR K CE1 1 +ATOM 20582 C CE2 . TYR K 1 92 ? 34.097 103.255 91.587 1.00 26.60 ? ? ? ? ? ? 91 TYR K CE2 1 +ATOM 20583 C CZ . TYR K 1 92 ? 32.889 102.737 91.999 1.00 26.39 ? ? ? ? ? ? 91 TYR K CZ 1 +ATOM 20584 O OH . TYR K 1 92 ? 31.962 102.419 90.992 1.00 28.35 ? ? ? ? ? ? 91 TYR K OH 1 +ATOM 20585 N N . ALA K 1 93 ? 35.000 105.030 97.530 1.00 16.24 ? ? ? ? ? ? 92 ALA K N 1 +ATOM 20586 C CA . ALA K 1 93 ? 33.985 105.021 98.571 1.00 16.08 ? ? ? ? ? ? 92 ALA K CA 1 +ATOM 20587 C C . ALA K 1 93 ? 33.477 106.432 98.883 1.00 15.82 ? ? ? ? ? ? 92 ALA K C 1 +ATOM 20588 O O . ALA K 1 93 ? 32.294 106.655 99.236 1.00 15.40 ? ? ? ? ? ? 92 ALA K O 1 +ATOM 20589 C CB . ALA K 1 93 ? 34.563 104.383 99.821 1.00 15.37 ? ? ? ? ? ? 92 ALA K CB 1 +ATOM 20590 N N . THR K 1 94 ? 34.380 107.392 98.776 1.00 15.21 ? ? ? ? ? ? 93 THR K N 1 +ATOM 20591 C CA . THR K 1 94 ? 34.023 108.768 99.029 1.00 14.73 ? ? ? ? ? ? 93 THR K CA 1 +ATOM 20592 C C . THR K 1 94 ? 33.135 109.310 97.922 1.00 16.02 ? ? ? ? ? ? 93 THR K C 1 +ATOM 20593 O O . THR K 1 94 ? 32.112 109.919 98.223 1.00 16.10 ? ? ? ? ? ? 93 THR K O 1 +ATOM 20594 C CB . THR K 1 94 ? 35.221 109.621 99.206 1.00 14.33 ? ? ? ? ? ? 93 THR K CB 1 +ATOM 20595 O OG1 . THR K 1 94 ? 35.996 109.085 100.299 1.00 15.59 ? ? ? ? ? ? 93 THR K OG1 1 +ATOM 20596 C CG2 . THR K 1 94 ? 34.784 111.098 99.466 1.00 12.46 ? ? ? ? ? ? 93 THR K CG2 1 +ATOM 20597 N N . GLN K 1 95 ? 33.505 109.041 96.658 1.00 16.94 ? ? ? ? ? ? 94 GLN K N 1 +ATOM 20598 C CA . GLN K 1 95 ? 32.675 109.410 95.491 1.00 16.11 ? ? ? ? ? ? 94 GLN K CA 1 +ATOM 20599 C C . GLN K 1 95 ? 31.327 108.708 95.545 1.00 15.56 ? ? ? ? ? ? 94 GLN K C 1 +ATOM 20600 O O . GLN K 1 95 ? 30.305 109.300 95.241 1.00 16.09 ? ? ? ? ? ? 94 GLN K O 1 +ATOM 20601 C CB . GLN K 1 95 ? 33.361 109.040 94.166 1.00 16.12 ? ? ? ? ? ? 94 GLN K CB 1 +ATOM 20602 C CG . GLN K 1 95 ? 34.722 109.704 93.922 1.00 18.06 ? ? ? ? ? ? 94 GLN K CG 1 +ATOM 20603 C CD . GLN K 1 95 ? 35.354 109.271 92.642 1.00 18.97 ? ? ? ? ? ? 94 GLN K CD 1 +ATOM 20604 O OE1 . GLN K 1 95 ? 35.401 108.076 92.319 1.00 21.58 ? ? ? ? ? ? 94 GLN K OE1 1 +ATOM 20605 N NE2 . GLN K 1 95 ? 35.846 110.244 91.878 1.00 20.44 ? ? ? ? ? ? 94 GLN K NE2 1 +ATOM 20606 N N . GLN K 1 96 ? 31.325 107.434 95.907 1.00 16.79 ? ? ? ? ? ? 95 GLN K N 1 +ATOM 20607 C CA . GLN K 1 96 ? 30.071 106.699 96.032 1.00 16.88 ? ? ? ? ? ? 95 GLN K CA 1 +ATOM 20608 C C . GLN K 1 96 ? 29.175 107.328 97.089 1.00 15.81 ? ? ? ? ? ? 95 GLN K C 1 +ATOM 20609 O O . GLN K 1 96 ? 27.962 107.423 96.875 1.00 17.51 ? ? ? ? ? ? 95 GLN K O 1 +ATOM 20610 C CB . GLN K 1 96 ? 30.298 105.207 96.323 1.00 18.07 ? ? ? ? ? ? 95 GLN K CB 1 +ATOM 20611 C CG . GLN K 1 96 ? 29.013 104.378 96.286 1.00 21.06 ? ? ? ? ? ? 95 GLN K CG 1 +ATOM 20612 C CD . GLN K 1 96 ? 29.232 102.874 96.509 1.00 27.82 ? ? ? ? ? ? 95 GLN K CD 1 +ATOM 20613 O OE1 . GLN K 1 96 ? 30.195 102.271 96.010 1.00 35.38 ? ? ? ? ? ? 95 GLN K OE1 1 +ATOM 20614 N NE2 . GLN K 1 96 ? 28.309 102.262 97.237 1.00 40.32 ? ? ? ? ? ? 95 GLN K NE2 1 +ATOM 20615 N N . ALA K 1 97 ? 29.733 107.708 98.241 1.00 15.66 ? ? ? ? ? ? 96 ALA K N 1 +ATOM 20616 C CA . ALA K 1 97 ? 28.944 108.359 99.290 1.00 15.35 ? ? ? ? ? ? 96 ALA K CA 1 +ATOM 20617 C C . ALA K 1 97 ? 28.367 109.687 98.795 1.00 16.45 ? ? ? ? ? ? 96 ALA K C 1 +ATOM 20618 O O . ALA K 1 97 ? 27.196 110.011 99.053 1.00 14.49 ? ? ? ? ? ? 96 ALA K O 1 +ATOM 20619 C CB . ALA K 1 97 ? 29.781 108.535 100.570 1.00 12.84 ? ? ? ? ? ? 96 ALA K CB 1 +ATOM 20620 N N . ILE K 1 98 ? 29.144 110.448 98.040 1.00 15.77 ? ? ? ? ? ? 97 ILE K N 1 +ATOM 20621 C CA . ILE K 1 98 ? 28.585 111.669 97.410 1.00 14.62 ? ? ? ? ? ? 97 ILE K CA 1 +ATOM 20622 C C . ILE K 1 98 ? 27.376 111.409 96.493 1.00 15.90 ? ? ? ? ? ? 97 ILE K C 1 +ATOM 20623 O O . ILE K 1 98 ? 26.315 112.060 96.602 1.00 15.90 ? ? ? ? ? ? 97 ILE K O 1 +ATOM 20624 C CB . ILE K 1 98 ? 29.675 112.444 96.612 1.00 15.94 ? ? ? ? ? ? 97 ILE K CB 1 +ATOM 20625 C CG1 . ILE K 1 98 ? 30.702 113.067 97.576 1.00 14.68 ? ? ? ? ? ? 97 ILE K CG1 1 +ATOM 20626 C CG2 . ILE K 1 98 ? 29.046 113.579 95.744 1.00 16.45 ? ? ? ? ? ? 97 ILE K CG2 1 +ATOM 20627 C CD1 . ILE K 1 98 ? 32.022 113.431 96.932 1.00 13.66 ? ? ? ? ? ? 97 ILE K CD1 1 +ATOM 20628 N N . LEU K 1 99 ? 27.559 110.490 95.555 1.00 16.48 ? ? ? ? ? ? 98 LEU K N 1 +ATOM 20629 C CA . LEU K 1 99 ? 26.544 110.181 94.542 1.00 16.90 ? ? ? ? ? ? 98 LEU K CA 1 +ATOM 20630 C C . LEU K 1 99 ? 25.287 109.697 95.213 1.00 17.22 ? ? ? ? ? ? 98 LEU K C 1 +ATOM 20631 O O . LEU K 1 99 ? 24.204 110.130 94.847 1.00 17.83 ? ? ? ? ? ? 98 LEU K O 1 +ATOM 20632 C CB . LEU K 1 99 ? 27.046 109.129 93.532 1.00 16.93 ? ? ? ? ? ? 98 LEU K CB 1 +ATOM 20633 C CG . LEU K 1 99 ? 26.211 108.994 92.244 1.00 17.04 ? ? ? ? ? ? 98 LEU K CG 1 +ATOM 20634 C CD1 . LEU K 1 99 ? 26.185 110.301 91.494 1.00 15.33 ? ? ? ? ? ? 98 LEU K CD1 1 +ATOM 20635 C CD2 . LEU K 1 99 ? 26.719 107.880 91.342 1.00 15.59 ? ? ? ? ? ? 98 LEU K CD2 1 +ATOM 20636 N N . GLU K 1 100 ? 25.458 108.808 96.191 1.00 17.99 ? ? ? ? ? ? 99 GLU K N 1 +ATOM 20637 C CA . GLU K 1 100 ? 24.371 108.349 97.089 1.00 18.34 ? ? ? ? ? ? 99 GLU K CA 1 +ATOM 20638 C C . GLU K 1 100 ? 23.569 109.525 97.678 1.00 17.56 ? ? ? ? ? ? 99 GLU K C 1 +ATOM 20639 O O . GLU K 1 100 ? 22.341 109.543 97.632 1.00 17.80 ? ? ? ? ? ? 99 GLU K O 1 +ATOM 20640 C CB . GLU K 1 100 ? 24.957 107.475 98.230 1.00 17.72 ? ? ? ? ? ? 99 GLU K CB 1 +ATOM 20641 C CG . GLU K 1 100 ? 25.161 106.046 97.841 1.00 20.03 ? ? ? ? ? ? 99 GLU K CG 1 +ATOM 20642 C CD . GLU K 1 100 ? 25.921 105.178 98.852 1.00 22.86 ? ? ? ? ? ? 99 GLU K CD 1 +ATOM 20643 O OE1 . GLU K 1 100 ? 26.298 105.637 99.961 1.00 23.14 ? ? ? ? ? ? 99 GLU K OE1 1 +ATOM 20644 O OE2 . GLU K 1 100 ? 26.146 103.989 98.510 1.00 26.92 ? ? ? ? ? ? 99 GLU K OE2 1 +ATOM 20645 N N . ASP K 1 101 ? 24.261 110.486 98.264 1.00 16.85 ? ? ? ? ? ? 100 ASP K N 1 +ATOM 20646 C CA . ASP K 1 101 ? 23.607 111.673 98.839 1.00 17.15 ? ? ? ? ? ? 100 ASP K CA 1 +ATOM 20647 C C . ASP K 1 101 ? 22.905 112.540 97.766 1.00 17.44 ? ? ? ? ? ? 100 ASP K C 1 +ATOM 20648 O O . ASP K 1 101 ? 21.806 113.026 97.998 1.00 18.52 ? ? ? ? ? ? 100 ASP K O 1 +ATOM 20649 C CB . ASP K 1 101 ? 24.613 112.485 99.660 1.00 18.96 ? ? ? ? ? ? 100 ASP K CB 1 +ATOM 20650 C CG . ASP K 1 101 ? 25.064 111.776 100.945 1.00 21.06 ? ? ? ? ? ? 100 ASP K CG 1 +ATOM 20651 O OD1 . ASP K 1 101 ? 24.510 110.730 101.310 1.00 23.74 ? ? ? ? ? ? 100 ASP K OD1 1 +ATOM 20652 O OD2 . ASP K 1 101 ? 26.002 112.253 101.594 1.00 17.48 ? ? ? ? ? ? 100 ASP K OD2 1 +ATOM 20653 N N . ILE K 1 102 ? 23.509 112.699 96.586 1.00 17.51 ? ? ? ? ? ? 101 ILE K N 1 +ATOM 20654 C CA . ILE K 1 102 ? 22.901 113.465 95.506 1.00 15.77 ? ? ? ? ? ? 101 ILE K CA 1 +ATOM 20655 C C . ILE K 1 102 ? 21.616 112.784 95.064 1.00 16.93 ? ? ? ? ? ? 101 ILE K C 1 +ATOM 20656 O O . ILE K 1 102 ? 20.571 113.408 95.030 1.00 17.60 ? ? ? ? ? ? 101 ILE K O 1 +ATOM 20657 C CB . ILE K 1 102 ? 23.861 113.671 94.275 1.00 15.91 ? ? ? ? ? ? 101 ILE K CB 1 +ATOM 20658 C CG1 . ILE K 1 102 ? 24.958 114.708 94.605 1.00 16.00 ? ? ? ? ? ? 101 ILE K CG1 1 +ATOM 20659 C CG2 . ILE K 1 102 ? 23.076 114.140 93.017 1.00 14.96 ? ? ? ? ? ? 101 ILE K CG2 1 +ATOM 20660 C CD1 . ILE K 1 102 ? 26.319 114.535 93.809 1.00 14.41 ? ? ? ? ? ? 101 ILE K CD1 1 +ATOM 20661 N N . VAL K 1 103 ? 21.711 111.481 94.780 1.00 17.57 ? ? ? ? ? ? 102 VAL K N 1 +ATOM 20662 C CA . VAL K 1 103 ? 20.590 110.705 94.262 1.00 17.62 ? ? ? ? ? ? 102 VAL K CA 1 +ATOM 20663 C C . VAL K 1 103 ? 19.464 110.693 95.288 1.00 18.30 ? ? ? ? ? ? 102 VAL K C 1 +ATOM 20664 O O . VAL K 1 103 ? 18.318 110.944 94.940 1.00 19.16 ? ? ? ? ? ? 102 VAL K O 1 +ATOM 20665 C CB . VAL K 1 103 ? 21.056 109.272 93.812 1.00 19.88 ? ? ? ? ? ? 102 VAL K CB 1 +ATOM 20666 C CG1 . VAL K 1 103 ? 19.876 108.370 93.521 1.00 18.69 ? ? ? ? ? ? 102 VAL K CG1 1 +ATOM 20667 C CG2 . VAL K 1 103 ? 21.937 109.380 92.567 1.00 15.71 ? ? ? ? ? ? 102 VAL K CG2 1 +ATOM 20668 N N . SER K 1 104 ? 19.787 110.469 96.559 1.00 17.44 ? ? ? ? ? ? 103 SER K N 1 +ATOM 20669 C CA . SER K 1 104 ? 18.762 110.400 97.592 1.00 17.73 ? ? ? ? ? ? 103 SER K CA 1 +ATOM 20670 C C . SER K 1 104 ? 17.969 111.705 97.666 1.00 18.66 ? ? ? ? ? ? 103 SER K C 1 +ATOM 20671 O O . SER K 1 104 ? 16.762 111.682 97.798 1.00 19.31 ? ? ? ? ? ? 103 SER K O 1 +ATOM 20672 C CB . SER K 1 104 ? 19.390 110.078 98.938 1.00 20.68 ? ? ? ? ? ? 103 SER K CB 1 +ATOM 20673 O OG . SER K 1 104 ? 18.530 110.415 100.017 1.00 25.42 ? ? ? ? ? ? 103 SER K OG 1 +ATOM 20674 N N . SER K 1 105 ? 18.651 112.845 97.559 1.00 18.56 ? ? ? ? ? ? 104 SER K N 1 +ATOM 20675 C CA . SER K 1 105 ? 17.962 114.137 97.581 1.00 18.10 ? ? ? ? ? ? 104 SER K CA 1 +ATOM 20676 C C . SER K 1 105 ? 17.135 114.377 96.320 1.00 17.45 ? ? ? ? ? ? 104 SER K C 1 +ATOM 20677 O O . SER K 1 105 ? 15.951 114.744 96.404 1.00 18.33 ? ? ? ? ? ? 104 SER K O 1 +ATOM 20678 C CB . SER K 1 105 ? 18.966 115.273 97.862 1.00 18.98 ? ? ? ? ? ? 104 SER K CB 1 +ATOM 20679 O OG . SER K 1 105 ? 19.445 115.163 99.224 1.00 21.11 ? ? ? ? ? ? 104 SER K OG 1 +ATOM 20680 N N . LEU K 1 106 ? 17.726 114.164 95.152 1.00 17.83 ? ? ? ? ? ? 105 LEU K N 1 +ATOM 20681 C CA . LEU K 1 106 ? 16.976 114.317 93.892 1.00 17.83 ? ? ? ? ? ? 105 LEU K CA 1 +ATOM 20682 C C . LEU K 1 106 ? 15.738 113.420 93.830 1.00 18.91 ? ? ? ? ? ? 105 LEU K C 1 +ATOM 20683 O O . LEU K 1 106 ? 14.682 113.823 93.331 1.00 18.72 ? ? ? ? ? ? 105 LEU K O 1 +ATOM 20684 C CB . LEU K 1 106 ? 17.877 114.067 92.685 1.00 18.98 ? ? ? ? ? ? 105 LEU K CB 1 +ATOM 20685 C CG . LEU K 1 106 ? 19.041 115.060 92.458 1.00 19.44 ? ? ? ? ? ? 105 LEU K CG 1 +ATOM 20686 C CD1 . LEU K 1 106 ? 19.827 114.563 91.253 1.00 12.26 ? ? ? ? ? ? 105 LEU K CD1 1 +ATOM 20687 C CD2 . LEU K 1 106 ? 18.583 116.544 92.284 1.00 17.94 ? ? ? ? ? ? 105 LEU K CD2 1 +ATOM 20688 N N . HIS K 1 107 ? 15.844 112.217 94.363 1.00 19.05 ? ? ? ? ? ? 106 HIS K N 1 +ATOM 20689 C CA . HIS K 1 107 ? 14.733 111.318 94.341 1.00 21.29 ? ? ? ? ? ? 106 HIS K CA 1 +ATOM 20690 C C . HIS K 1 107 ? 13.572 111.786 95.220 1.00 21.10 ? ? ? ? ? ? 106 HIS K C 1 +ATOM 20691 O O . HIS K 1 107 ? 12.407 111.722 94.814 1.00 22.85 ? ? ? ? ? ? 106 HIS K O 1 +ATOM 20692 C CB . HIS K 1 107 ? 15.211 109.933 94.751 1.00 23.03 ? ? ? ? ? ? 106 HIS K CB 1 +ATOM 20693 C CG . HIS K 1 107 ? 14.190 108.877 94.565 1.00 19.41 ? ? ? ? ? ? 106 HIS K CG 1 +ATOM 20694 N ND1 . HIS K 1 107 ? 13.239 108.602 95.511 1.00 25.30 ? ? ? ? ? ? 106 HIS K ND1 1 +ATOM 20695 C CD2 . HIS K 1 107 ? 13.992 108.000 93.559 1.00 24.00 ? ? ? ? ? ? 106 HIS K CD2 1 +ATOM 20696 C CE1 . HIS K 1 107 ? 12.481 107.613 95.087 1.00 26.98 ? ? ? ? ? ? 106 HIS K CE1 1 +ATOM 20697 N NE2 . HIS K 1 107 ? 12.916 107.237 93.902 1.00 24.36 ? ? ? ? ? ? 106 HIS K NE2 1 +ATOM 20698 N N . VAL K 1 108 ? 13.887 112.250 96.418 1.00 21.72 ? ? ? ? ? ? 107 VAL K N 1 +ATOM 20699 C CA . VAL K 1 108 ? 12.886 112.835 97.321 1.00 22.80 ? ? ? ? ? ? 107 VAL K CA 1 +ATOM 20700 C C . VAL K 1 108 ? 12.188 114.034 96.654 1.00 22.18 ? ? ? ? ? ? 107 VAL K C 1 +ATOM 20701 O O . VAL K 1 108 ? 11.004 114.234 96.840 1.00 22.55 ? ? ? ? ? ? 107 VAL K O 1 +ATOM 20702 C CB . VAL K 1 108 ? 13.530 113.235 98.681 1.00 22.35 ? ? ? ? ? ? 107 VAL K CB 1 +ATOM 20703 C CG1 . VAL K 1 108 ? 12.549 114.026 99.547 1.00 26.01 ? ? ? ? ? ? 107 VAL K CG1 1 +ATOM 20704 C CG2 . VAL K 1 108 ? 13.994 111.976 99.394 1.00 26.70 ? ? ? ? ? ? 107 VAL K CG2 1 +ATOM 20705 N N . GLN K 1 109 ? 12.941 114.786 95.855 1.00 21.75 ? ? ? ? ? ? 108 GLN K N 1 +ATOM 20706 C CA . GLN K 1 109 ? 12.433 115.930 95.094 1.00 21.43 ? ? ? ? ? ? 108 GLN K CA 1 +ATOM 20707 C C . GLN K 1 109 ? 11.563 115.499 93.905 1.00 23.20 ? ? ? ? ? ? 108 GLN K C 1 +ATOM 20708 O O . GLN K 1 109 ? 10.964 116.343 93.250 1.00 23.93 ? ? ? ? ? ? 108 GLN K O 1 +ATOM 20709 C CB . GLN K 1 109 ? 13.623 116.797 94.609 1.00 20.20 ? ? ? ? ? ? 108 GLN K CB 1 +ATOM 20710 C CG . GLN K 1 109 ? 14.376 117.484 95.751 1.00 16.91 ? ? ? ? ? ? 108 GLN K CG 1 +ATOM 20711 C CD . GLN K 1 109 ? 15.842 117.807 95.465 1.00 21.53 ? ? ? ? ? ? 108 GLN K CD 1 +ATOM 20712 O OE1 . GLN K 1 109 ? 16.273 117.900 94.297 1.00 19.94 ? ? ? ? ? ? 108 GLN K OE1 1 +ATOM 20713 N NE2 . GLN K 1 109 ? 16.602 118.070 96.540 1.00 14.07 ? ? ? ? ? ? 108 GLN K NE2 1 +ATOM 20714 N N . GLY K 1 110 ? 11.518 114.205 93.576 1.00 22.77 ? ? ? ? ? ? 109 GLY K N 1 +ATOM 20715 C CA . GLY K 1 110 ? 10.685 113.736 92.481 1.00 21.96 ? ? ? ? ? ? 109 GLY K CA 1 +ATOM 20716 C C . GLY K 1 110 ? 11.382 113.517 91.138 1.00 22.31 ? ? ? ? ? ? 109 GLY K C 1 +ATOM 20717 O O . GLY K 1 110 ? 10.729 113.134 90.184 1.00 21.71 ? ? ? ? ? ? 109 GLY K O 1 +ATOM 20718 N N . PHE K 1 111 ? 12.701 113.751 91.062 1.00 21.18 ? ? ? ? ? ? 110 PHE K N 1 +ATOM 20719 C CA . PHE K 1 111 ? 13.453 113.583 89.836 1.00 19.60 ? ? ? ? ? ? 110 PHE K CA 1 +ATOM 20720 C C . PHE K 1 111 ? 13.739 112.127 89.619 1.00 20.60 ? ? ? ? ? ? 110 PHE K C 1 +ATOM 20721 O O . PHE K 1 111 ? 13.893 111.386 90.577 1.00 21.46 ? ? ? ? ? ? 110 PHE K O 1 +ATOM 20722 C CB . PHE K 1 111 ? 14.748 114.416 89.867 1.00 19.39 ? ? ? ? ? ? 110 PHE K CB 1 +ATOM 20723 C CG . PHE K 1 111 ? 14.495 115.882 90.028 1.00 19.91 ? ? ? ? ? ? 110 PHE K CG 1 +ATOM 20724 C CD1 . PHE K 1 111 ? 13.695 116.563 89.105 1.00 22.36 ? ? ? ? ? ? 110 PHE K CD1 1 +ATOM 20725 C CD2 . PHE K 1 111 ? 14.977 116.587 91.128 1.00 20.33 ? ? ? ? ? ? 110 PHE K CD2 1 +ATOM 20726 C CE1 . PHE K 1 111 ? 13.410 117.913 89.261 1.00 19.60 ? ? ? ? ? ? 110 PHE K CE1 1 +ATOM 20727 C CE2 . PHE K 1 111 ? 14.692 117.960 91.276 1.00 21.63 ? ? ? ? ? ? 110 PHE K CE2 1 +ATOM 20728 C CZ . PHE K 1 111 ? 13.916 118.613 90.332 1.00 20.56 ? ? ? ? ? ? 110 PHE K CZ 1 +ATOM 20729 N N . ARG K 1 112 ? 13.766 111.686 88.358 1.00 20.23 ? ? ? ? ? ? 111 ARG K N 1 +ATOM 20730 C CA . ARG K 1 112 ? 13.953 110.266 88.048 1.00 21.77 ? ? ? ? ? ? 111 ARG K CA 1 +ATOM 20731 C C . ARG K 1 112 ? 14.956 110.018 86.925 1.00 20.50 ? ? ? ? ? ? 111 ARG K C 1 +ATOM 20732 O O . ARG K 1 112 ? 15.116 108.891 86.481 1.00 20.55 ? ? ? ? ? ? 111 ARG K O 1 +ATOM 20733 C CB . ARG K 1 112 ? 12.607 109.605 87.714 1.00 22.16 ? ? ? ? ? ? 111 ARG K CB 1 +ATOM 20734 C CG . ARG K 1 112 ? 11.585 109.687 88.812 1.00 21.72 ? ? ? ? ? ? 111 ARG K CG 1 +ATOM 20735 C CD . ARG K 1 112 ? 12.041 108.881 90.013 1.00 22.81 ? ? ? ? ? ? 111 ARG K CD 1 +ATOM 20736 N NE . ARG K 1 112 ? 11.016 108.768 91.048 1.00 25.68 ? ? ? ? ? ? 111 ARG K NE 1 +ATOM 20737 C CZ . ARG K 1 112 ? 10.912 109.554 92.107 1.00 23.79 ? ? ? ? ? ? 111 ARG K CZ 1 +ATOM 20738 N NH1 . ARG K 1 112 ? 11.791 110.520 92.318 1.00 24.87 ? ? ? ? ? ? 111 ARG K NH1 1 +ATOM 20739 N NH2 . ARG K 1 112 ? 9.947 109.354 92.975 1.00 24.57 ? ? ? ? ? ? 111 ARG K NH2 1 +ATOM 20740 N N . LYS K 1 113 ? 15.642 111.056 86.479 1.00 19.85 ? ? ? ? ? ? 112 LYS K N 1 +ATOM 20741 C CA . LYS K 1 113 ? 16.608 110.918 85.388 1.00 20.26 ? ? ? ? ? ? 112 LYS K CA 1 +ATOM 20742 C C . LYS K 1 113 ? 17.828 111.806 85.608 1.00 19.50 ? ? ? ? ? ? 112 LYS K C 1 +ATOM 20743 O O . LYS K 1 113 ? 17.690 113.004 85.798 1.00 18.86 ? ? ? ? ? ? 112 LYS K O 1 +ATOM 20744 C CB . LYS K 1 113 ? 15.958 111.261 84.054 1.00 21.63 ? ? ? ? ? ? 112 LYS K CB 1 +ATOM 20745 C CG . LYS K 1 113 ? 14.839 110.312 83.653 1.00 27.85 ? ? ? ? ? ? 112 LYS K CG 1 +ATOM 20746 C CD . LYS K 1 113 ? 14.022 110.920 82.533 1.00 35.57 ? ? ? ? ? ? 112 LYS K CD 1 +ATOM 20747 C CE . LYS K 1 113 ? 12.953 109.970 82.052 1.00 40.41 ? ? ? ? ? ? 112 LYS K CE 1 +ATOM 20748 N NZ . LYS K 1 113 ? 12.133 110.656 81.035 1.00 45.24 ? ? ? ? ? ? 112 LYS K NZ 1 +ATOM 20749 N N . LEU K 1 114 ? 19.006 111.189 85.586 1.00 19.04 ? ? ? ? ? ? 113 LEU K N 1 +ATOM 20750 C CA . LEU K 1 114 ? 20.274 111.857 85.878 1.00 18.29 ? ? ? ? ? ? 113 LEU K CA 1 +ATOM 20751 C C . LEU K 1 114 ? 21.325 111.418 84.868 1.00 17.81 ? ? ? ? ? ? 113 LEU K C 1 +ATOM 20752 O O . LEU K 1 114 ? 21.484 110.238 84.638 1.00 18.83 ? ? ? ? ? ? 113 LEU K O 1 +ATOM 20753 C CB . LEU K 1 114 ? 20.738 111.500 87.314 1.00 17.48 ? ? ? ? ? ? 113 LEU K CB 1 +ATOM 20754 C CG . LEU K 1 114 ? 22.094 112.052 87.823 1.00 19.01 ? ? ? ? ? ? 113 LEU K CG 1 +ATOM 20755 C CD1 . LEU K 1 114 ? 22.068 113.613 87.913 1.00 13.73 ? ? ? ? ? ? 113 LEU K CD1 1 +ATOM 20756 C CD2 . LEU K 1 114 ? 22.511 111.374 89.175 1.00 16.31 ? ? ? ? ? ? 113 LEU K CD2 1 +ATOM 20757 N N . LEU K 1 115 ? 22.066 112.367 84.294 1.00 17.84 ? ? ? ? ? ? 114 LEU K N 1 +ATOM 20758 C CA . LEU K 1 115 ? 23.268 112.069 83.528 1.00 17.53 ? ? ? ? ? ? 114 LEU K CA 1 +ATOM 20759 C C . LEU K 1 115 ? 24.479 112.549 84.299 1.00 17.76 ? ? ? ? ? ? 114 LEU K C 1 +ATOM 20760 O O . LEU K 1 115 ? 24.571 113.741 84.611 1.00 18.74 ? ? ? ? ? ? 114 LEU K O 1 +ATOM 20761 C CB . LEU K 1 115 ? 23.267 112.756 82.137 1.00 18.46 ? ? ? ? ? ? 114 LEU K CB 1 +ATOM 20762 C CG . LEU K 1 115 ? 24.607 112.622 81.380 1.00 17.25 ? ? ? ? ? ? 114 LEU K CG 1 +ATOM 20763 C CD1 . LEU K 1 115 ? 24.930 111.197 80.943 1.00 16.17 ? ? ? ? ? ? 114 LEU K CD1 1 +ATOM 20764 C CD2 . LEU K 1 115 ? 24.722 113.556 80.174 1.00 16.31 ? ? ? ? ? ? 114 LEU K CD2 1 +ATOM 20765 N N . ILE K 1 116 ? 25.427 111.648 84.578 1.00 17.29 ? ? ? ? ? ? 115 ILE K N 1 +ATOM 20766 C CA . ILE K 1 116 ? 26.692 112.089 85.102 1.00 17.83 ? ? ? ? ? ? 115 ILE K CA 1 +ATOM 20767 C C . ILE K 1 116 ? 27.596 112.385 83.909 1.00 18.59 ? ? ? ? ? ? 115 ILE K C 1 +ATOM 20768 O O . ILE K 1 116 ? 27.891 111.467 83.112 1.00 18.40 ? ? ? ? ? ? 115 ILE K O 1 +ATOM 20769 C CB . ILE K 1 116 ? 27.388 111.059 86.022 1.00 18.00 ? ? ? ? ? ? 115 ILE K CB 1 +ATOM 20770 C CG1 . ILE K 1 116 ? 26.464 110.575 87.120 1.00 17.95 ? ? ? ? ? ? 115 ILE K CG1 1 +ATOM 20771 C CG2 . ILE K 1 116 ? 28.612 111.727 86.673 1.00 18.35 ? ? ? ? ? ? 115 ILE K CG2 1 +ATOM 20772 C CD1 . ILE K 1 116 ? 27.063 109.418 88.003 1.00 14.29 ? ? ? ? ? ? 115 ILE K CD1 1 +ATOM 20773 N N . LEU K 1 117 ? 28.037 113.641 83.781 1.00 17.60 ? ? ? ? ? ? 116 LEU K N 1 +ATOM 20774 C CA . LEU K 1 117 ? 28.907 114.017 82.685 1.00 16.93 ? ? ? ? ? ? 116 LEU K CA 1 +ATOM 20775 C C . LEU K 1 117 ? 30.289 114.306 83.234 1.00 17.89 ? ? ? ? ? ? 116 LEU K C 1 +ATOM 20776 O O . LEU K 1 117 ? 30.542 115.390 83.762 1.00 18.35 ? ? ? ? ? ? 116 LEU K O 1 +ATOM 20777 C CB . LEU K 1 117 ? 28.380 115.268 81.958 1.00 16.57 ? ? ? ? ? ? 116 LEU K CB 1 +ATOM 20778 C CG . LEU K 1 117 ? 29.147 115.644 80.672 1.00 17.39 ? ? ? ? ? ? 116 LEU K CG 1 +ATOM 20779 C CD1 . LEU K 1 117 ? 29.104 114.504 79.682 1.00 14.09 ? ? ? ? ? ? 116 LEU K CD1 1 +ATOM 20780 C CD2 . LEU K 1 117 ? 28.629 116.981 80.065 1.00 16.17 ? ? ? ? ? ? 116 LEU K CD2 1 +ATOM 20781 N N . SER K 1 118 ? 31.188 113.363 83.076 1.00 18.06 ? ? ? ? ? ? 117 SER K N 1 +ATOM 20782 C CA . SER K 1 118 ? 32.488 113.457 83.688 1.00 18.50 ? ? ? ? ? ? 117 SER K CA 1 +ATOM 20783 C C . SER K 1 118 ? 33.456 114.215 82.789 1.00 20.41 ? ? ? ? ? ? 117 SER K C 1 +ATOM 20784 O O . SER K 1 118 ? 33.371 114.128 81.559 1.00 20.76 ? ? ? ? ? ? 117 SER K O 1 +ATOM 20785 C CB . SER K 1 118 ? 33.029 112.052 83.945 1.00 18.50 ? ? ? ? ? ? 117 SER K CB 1 +ATOM 20786 O OG . SER K 1 118 ? 34.332 112.070 84.528 1.00 22.03 ? ? ? ? ? ? 117 SER K OG 1 +ATOM 20787 N N . GLY K 1 119 ? 34.378 114.941 83.423 1.00 20.91 ? ? ? ? ? ? 118 GLY K N 1 +ATOM 20788 C CA . GLY K 1 119 ? 35.474 115.606 82.759 1.00 20.71 ? ? ? ? ? ? 118 GLY K CA 1 +ATOM 20789 C C . GLY K 1 119 ? 36.808 114.959 83.040 1.00 20.01 ? ? ? ? ? ? 118 GLY K C 1 +ATOM 20790 O O . GLY K 1 119 ? 37.802 115.375 82.470 1.00 20.95 ? ? ? ? ? ? 118 GLY K O 1 +ATOM 20791 N N . HIS K 1 120 ? 36.813 113.933 83.891 1.00 19.69 ? ? ? ? ? ? 119 HIS K N 1 +ATOM 20792 C CA . HIS K 1 120 ? 38.026 113.245 84.319 1.00 21.07 ? ? ? ? ? ? 119 HIS K CA 1 +ATOM 20793 C C . HIS K 1 120 ? 37.934 111.745 84.044 1.00 22.25 ? ? ? ? ? ? 119 HIS K C 1 +ATOM 20794 O O . HIS K 1 120 ? 37.051 111.068 84.536 1.00 23.51 ? ? ? ? ? ? 119 HIS K O 1 +ATOM 20795 C CB . HIS K 1 120 ? 38.241 113.523 85.818 1.00 22.21 ? ? ? ? ? ? 119 HIS K CB 1 +ATOM 20796 C CG . HIS K 1 120 ? 39.401 112.798 86.413 1.00 21.26 ? ? ? ? ? ? 119 HIS K CG 1 +ATOM 20797 N ND1 . HIS K 1 120 ? 40.697 113.000 85.992 1.00 22.55 ? ? ? ? ? ? 119 HIS K ND1 1 +ATOM 20798 C CD2 . HIS K 1 120 ? 39.467 111.888 87.415 1.00 21.26 ? ? ? ? ? ? 119 HIS K CD2 1 +ATOM 20799 C CE1 . HIS K 1 120 ? 41.515 112.233 86.691 1.00 21.56 ? ? ? ? ? ? 119 HIS K CE1 1 +ATOM 20800 N NE2 . HIS K 1 120 ? 40.793 111.555 87.571 1.00 23.43 ? ? ? ? ? ? 119 HIS K NE2 1 +ATOM 20801 N N . GLY K 1 121 ? 38.862 111.235 83.247 1.00 23.13 ? ? ? ? ? ? 120 GLY K N 1 +ATOM 20802 C CA . GLY K 1 121 ? 38.844 109.835 82.800 1.00 23.08 ? ? ? ? ? ? 120 GLY K CA 1 +ATOM 20803 C C . GLY K 1 121 ? 39.104 108.828 83.898 1.00 23.70 ? ? ? ? ? ? 120 GLY K C 1 +ATOM 20804 O O . GLY K 1 121 ? 38.710 107.659 83.782 1.00 24.89 ? ? ? ? ? ? 120 GLY K O 1 +ATOM 20805 N N . GLY K 1 122 ? 39.762 109.296 84.956 1.00 23.66 ? ? ? ? ? ? 121 GLY K N 1 +ATOM 20806 C CA . GLY K 1 122 ? 40.011 108.528 86.165 1.00 22.91 ? ? ? ? ? ? 121 GLY K CA 1 +ATOM 20807 C C . GLY K 1 122 ? 38.771 108.189 86.959 1.00 22.77 ? ? ? ? ? ? 121 GLY K C 1 +ATOM 20808 O O . GLY K 1 122 ? 38.775 107.219 87.699 1.00 23.26 ? ? ? ? ? ? 121 GLY K O 1 +ATOM 20809 N N . ASN K 1 123 ? 37.697 108.946 86.766 1.00 22.36 ? ? ? ? ? ? 122 ASN K N 1 +ATOM 20810 C CA . ASN K 1 123 ? 36.420 108.633 87.371 1.00 21.88 ? ? ? ? ? ? 122 ASN K CA 1 +ATOM 20811 C C . ASN K 1 123 ? 35.705 107.490 86.628 1.00 22.49 ? ? ? ? ? ? 122 ASN K C 1 +ATOM 20812 O O . ASN K 1 123 ? 35.618 107.492 85.389 1.00 21.77 ? ? ? ? ? ? 122 ASN K O 1 +ATOM 20813 C CB . ASN K 1 123 ? 35.502 109.860 87.345 1.00 22.04 ? ? ? ? ? ? 122 ASN K CB 1 +ATOM 20814 C CG . ASN K 1 123 ? 36.044 111.026 88.139 1.00 21.58 ? ? ? ? ? ? 122 ASN K CG 1 +ATOM 20815 O OD1 . ASN K 1 123 ? 36.758 110.846 89.136 1.00 18.40 ? ? ? ? ? ? 122 ASN K OD1 1 +ATOM 20816 N ND2 . ASN K 1 123 ? 35.673 112.235 87.726 1.00 16.97 ? ? ? ? ? ? 122 ASN K ND2 1 +ATOM 20817 N N . ASN K 1 124 ? 35.159 106.553 87.399 1.00 21.06 ? ? ? ? ? ? 123 ASN K N 1 +ATOM 20818 C CA . ASN K 1 124 ? 34.504 105.394 86.874 1.00 22.34 ? ? ? ? ? ? 123 ASN K CA 1 +ATOM 20819 C C . ASN K 1 124 ? 33.260 105.229 87.714 1.00 20.88 ? ? ? ? ? ? 123 ASN K C 1 +ATOM 20820 O O . ASN K 1 124 ? 33.352 105.162 88.959 1.00 21.74 ? ? ? ? ? ? 123 ASN K O 1 +ATOM 20821 C CB . ASN K 1 124 ? 35.420 104.165 87.037 1.00 26.08 ? ? ? ? ? ? 123 ASN K CB 1 +ATOM 20822 C CG . ASN K 1 124 ? 36.557 104.125 86.027 1.00 29.63 ? ? ? ? ? ? 123 ASN K CG 1 +ATOM 20823 O OD1 . ASN K 1 124 ? 36.325 104.058 84.818 1.00 37.04 ? ? ? ? ? ? 123 ASN K OD1 1 +ATOM 20824 N ND2 . ASN K 1 124 ? 37.800 104.125 86.527 1.00 28.88 ? ? ? ? ? ? 123 ASN K ND2 1 +ATOM 20825 N N . PHE K 1 125 ? 32.100 105.177 87.063 1.00 20.19 ? ? ? ? ? ? 124 PHE K N 1 +ATOM 20826 C CA . PHE K 1 125 ? 30.801 105.238 87.762 1.00 19.14 ? ? ? ? ? ? 124 PHE K CA 1 +ATOM 20827 C C . PHE K 1 125 ? 29.926 104.007 87.585 1.00 18.98 ? ? ? ? ? ? 124 PHE K C 1 +ATOM 20828 O O . PHE K 1 125 ? 28.888 103.916 88.217 1.00 19.64 ? ? ? ? ? ? 124 PHE K O 1 +ATOM 20829 C CB . PHE K 1 125 ? 30.020 106.483 87.306 1.00 20.36 ? ? ? ? ? ? 124 PHE K CB 1 +ATOM 20830 C CG . PHE K 1 125 ? 30.726 107.772 87.612 1.00 21.71 ? ? ? ? ? ? 124 PHE K CG 1 +ATOM 20831 C CD1 . PHE K 1 125 ? 30.740 108.284 88.901 1.00 20.80 ? ? ? ? ? ? 124 PHE K CD1 1 +ATOM 20832 C CD2 . PHE K 1 125 ? 31.387 108.475 86.630 1.00 20.08 ? ? ? ? ? ? 124 PHE K CD2 1 +ATOM 20833 C CE1 . PHE K 1 125 ? 31.396 109.472 89.190 1.00 17.86 ? ? ? ? ? ? 124 PHE K CE1 1 +ATOM 20834 C CE2 . PHE K 1 125 ? 32.049 109.675 86.929 1.00 17.40 ? ? ? ? ? ? 124 PHE K CE2 1 +ATOM 20835 C CZ . PHE K 1 125 ? 32.056 110.164 88.197 1.00 16.49 ? ? ? ? ? ? 124 PHE K CZ 1 +ATOM 20836 N N . LYS K 1 126 ? 30.347 103.045 86.760 1.00 19.17 ? ? ? ? ? ? 125 LYS K N 1 +ATOM 20837 C CA . LYS K 1 126 ? 29.512 101.932 86.422 1.00 18.96 ? ? ? ? ? ? 125 LYS K CA 1 +ATOM 20838 C C . LYS K 1 126 ? 29.079 101.074 87.640 1.00 19.01 ? ? ? ? ? ? 125 LYS K C 1 +ATOM 20839 O O . LYS K 1 126 ? 27.911 100.656 87.710 1.00 20.73 ? ? ? ? ? ? 125 LYS K O 1 +ATOM 20840 C CB . LYS K 1 126 ? 30.227 101.039 85.411 1.00 21.31 ? ? ? ? ? ? 125 LYS K CB 1 +ATOM 20841 C CG . LYS K 1 126 ? 30.466 101.636 84.031 1.00 19.23 ? ? ? ? ? ? 125 LYS K CG 1 +ATOM 20842 C CD . LYS K 1 126 ? 30.814 100.541 83.021 1.00 22.43 ? ? ? ? ? ? 125 LYS K CD 1 +ATOM 20843 C CE . LYS K 1 126 ? 31.207 101.115 81.649 1.00 27.71 ? ? ? ? ? ? 125 LYS K CE 1 +ATOM 20844 N NZ . LYS K 1 126 ? 32.676 101.424 81.630 1.00 36.27 ? ? ? ? ? ? 125 LYS K NZ 1 +ATOM 20845 N N . GLY K 1 127 ? 30.018 100.762 88.546 1.00 17.76 ? ? ? ? ? ? 126 GLY K N 1 +ATOM 20846 C CA . GLY K 1 127 ? 29.714 100.064 89.797 1.00 18.10 ? ? ? ? ? ? 126 GLY K CA 1 +ATOM 20847 C C . GLY K 1 127 ? 28.772 100.832 90.724 1.00 19.44 ? ? ? ? ? ? 126 GLY K C 1 +ATOM 20848 O O . GLY K 1 127 ? 27.893 100.266 91.366 1.00 17.75 ? ? ? ? ? ? 126 GLY K O 1 +ATOM 20849 N N . MSE K 1 128 ? 28.955 102.142 90.788 1.00 19.50 ? ? ? ? ? ? 127 MSE K N 1 +ATOM 20850 C CA . MSE K 1 128 ? 28.117 102.972 91.614 1.00 19.57 ? ? ? ? ? ? 127 MSE K CA 1 +ATOM 20851 C C . MSE K 1 128 ? 26.681 102.940 91.110 1.00 18.05 ? ? ? ? ? ? 127 MSE K C 1 +ATOM 20852 O O . MSE K 1 128 ? 25.729 102.787 91.907 1.00 17.02 ? ? ? ? ? ? 127 MSE K O 1 +ATOM 20853 C CB . MSE K 1 128 ? 28.623 104.420 91.598 1.00 21.05 ? ? ? ? ? ? 127 MSE K CB 1 +ATOM 20854 C CG . MSE K 1 128 ? 29.850 104.677 92.382 1.00 22.51 ? ? ? ? ? ? 127 MSE K CG 1 +ATOM 20855 SE SE . MSE K 1 128 ? 30.320 106.549 92.216 0.75 16.07 ? ? ? ? ? ? 127 MSE K SE 1 +ATOM 20856 C CE . MSE K 1 128 ? 32.324 106.278 92.232 1.00 15.34 ? ? ? ? ? ? 127 MSE K CE 1 +ATOM 20857 N N . ILE K 1 129 ? 26.560 103.086 89.792 1.00 18.33 ? ? ? ? ? ? 128 ILE K N 1 +ATOM 20858 C CA . ILE K 1 129 ? 25.292 103.066 89.083 1.00 18.38 ? ? ? ? ? ? 128 ILE K CA 1 +ATOM 20859 C C . ILE K 1 129 ? 24.574 101.690 89.222 1.00 18.35 ? ? ? ? ? ? 128 ILE K C 1 +ATOM 20860 O O . ILE K 1 129 ? 23.344 101.623 89.438 1.00 17.65 ? ? ? ? ? ? 128 ILE K O 1 +ATOM 20861 C CB . ILE K 1 129 ? 25.519 103.461 87.587 1.00 18.96 ? ? ? ? ? ? 128 ILE K CB 1 +ATOM 20862 C CG1 . ILE K 1 129 ? 25.894 104.949 87.491 1.00 20.82 ? ? ? ? ? ? 128 ILE K CG1 1 +ATOM 20863 C CG2 . ILE K 1 129 ? 24.286 103.203 86.749 1.00 18.12 ? ? ? ? ? ? 128 ILE K CG2 1 +ATOM 20864 C CD1 . ILE K 1 129 ? 26.294 105.424 86.112 1.00 17.20 ? ? ? ? ? ? 128 ILE K CD1 1 +ATOM 20865 N N . ARG K 1 130 ? 25.337 100.603 89.103 1.00 18.28 ? ? ? ? ? ? 129 ARG K N 1 +ATOM 20866 C CA . ARG K 1 130 ? 24.772 99.257 89.326 1.00 18.47 ? ? ? ? ? ? 129 ARG K CA 1 +ATOM 20867 C C . ARG K 1 130 ? 24.182 99.126 90.728 1.00 18.89 ? ? ? ? ? ? 129 ARG K C 1 +ATOM 20868 O O . ARG K 1 130 ? 23.085 98.644 90.898 1.00 20.04 ? ? ? ? ? ? 129 ARG K O 1 +ATOM 20869 C CB . ARG K 1 130 ? 25.822 98.160 89.089 1.00 18.28 ? ? ? ? ? ? 129 ARG K CB 1 +ATOM 20870 C CG . ARG K 1 130 ? 26.057 97.877 87.646 1.00 20.51 ? ? ? ? ? ? 129 ARG K CG 1 +ATOM 20871 C CD . ARG K 1 130 ? 26.961 96.662 87.442 1.00 22.22 ? ? ? ? ? ? 129 ARG K CD 1 +ATOM 20872 N NE . ARG K 1 130 ? 26.933 96.261 86.055 1.00 20.99 ? ? ? ? ? ? 129 ARG K NE 1 +ATOM 20873 C CZ . ARG K 1 130 ? 27.809 96.634 85.143 1.00 23.39 ? ? ? ? ? ? 129 ARG K CZ 1 +ATOM 20874 N NH1 . ARG K 1 130 ? 28.862 97.406 85.459 1.00 26.01 ? ? ? ? ? ? 129 ARG K NH1 1 +ATOM 20875 N NH2 . ARG K 1 130 ? 27.644 96.203 83.898 1.00 24.39 ? ? ? ? ? ? 129 ARG K NH2 1 +ATOM 20876 N N . ASP K 1 131 ? 24.902 99.603 91.736 1.00 19.22 ? ? ? ? ? ? 130 ASP K N 1 +ATOM 20877 C CA . ASP K 1 131 ? 24.415 99.491 93.095 1.00 19.22 ? ? ? ? ? ? 130 ASP K CA 1 +ATOM 20878 C C . ASP K 1 131 ? 23.201 100.399 93.336 1.00 19.68 ? ? ? ? ? ? 130 ASP K C 1 +ATOM 20879 O O . ASP K 1 131 ? 22.270 100.008 93.995 1.00 20.43 ? ? ? ? ? ? 130 ASP K O 1 +ATOM 20880 C CB . ASP K 1 131 ? 25.537 99.763 94.088 1.00 21.97 ? ? ? ? ? ? 130 ASP K CB 1 +ATOM 20881 C CG . ASP K 1 131 ? 26.671 98.715 94.021 1.00 25.06 ? ? ? ? ? ? 130 ASP K CG 1 +ATOM 20882 O OD1 . ASP K 1 131 ? 26.408 97.571 93.579 1.00 26.45 ? ? ? ? ? ? 130 ASP K OD1 1 +ATOM 20883 O OD2 . ASP K 1 131 ? 27.821 99.040 94.415 1.00 25.12 ? ? ? ? ? ? 130 ASP K OD2 1 +ATOM 20884 N N . LEU K 1 132 ? 23.190 101.591 92.745 1.00 19.60 ? ? ? ? ? ? 131 LEU K N 1 +ATOM 20885 C CA . LEU K 1 132 ? 22.081 102.507 92.920 1.00 19.98 ? ? ? ? ? ? 131 LEU K CA 1 +ATOM 20886 C C . LEU K 1 132 ? 20.814 102.050 92.152 1.00 20.52 ? ? ? ? ? ? 131 LEU K C 1 +ATOM 20887 O O . LEU K 1 132 ? 19.700 102.382 92.536 1.00 21.02 ? ? ? ? ? ? 131 LEU K O 1 +ATOM 20888 C CB . LEU K 1 132 ? 22.505 103.911 92.523 1.00 20.23 ? ? ? ? ? ? 131 LEU K CB 1 +ATOM 20889 C CG . LEU K 1 132 ? 23.336 104.685 93.572 1.00 21.68 ? ? ? ? ? ? 131 LEU K CG 1 +ATOM 20890 C CD1 . LEU K 1 132 ? 24.139 105.780 92.897 1.00 20.11 ? ? ? ? ? ? 131 LEU K CD1 1 +ATOM 20891 C CD2 . LEU K 1 132 ? 22.476 105.256 94.747 1.00 18.34 ? ? ? ? ? ? 131 LEU K CD2 1 +ATOM 20892 N N . ALA K 1 133 ? 21.001 101.279 91.086 1.00 21.16 ? ? ? ? ? ? 132 ALA K N 1 +ATOM 20893 C CA . ALA K 1 133 ? 19.903 100.723 90.286 1.00 21.95 ? ? ? ? ? ? 132 ALA K CA 1 +ATOM 20894 C C . ALA K 1 133 ? 19.042 99.836 91.143 1.00 22.24 ? ? ? ? ? ? 132 ALA K C 1 +ATOM 20895 O O . ALA K 1 133 ? 17.807 99.815 91.001 1.00 23.99 ? ? ? ? ? ? 132 ALA K O 1 +ATOM 20896 C CB . ALA K 1 133 ? 20.464 99.911 89.091 1.00 22.75 ? ? ? ? ? ? 132 ALA K CB 1 +ATOM 20897 N N . PHE K 1 134 ? 19.681 99.104 92.046 1.00 24.10 ? ? ? ? ? ? 133 PHE K N 1 +ATOM 20898 C CA . PHE K 1 134 ? 18.934 98.232 92.946 1.00 25.58 ? ? ? ? ? ? 133 PHE K CA 1 +ATOM 20899 C C . PHE K 1 134 ? 18.270 99.002 94.107 1.00 26.07 ? ? ? ? ? ? 133 PHE K C 1 +ATOM 20900 O O . PHE K 1 134 ? 17.187 98.637 94.524 1.00 27.44 ? ? ? ? ? ? 133 PHE K O 1 +ATOM 20901 C CB . PHE K 1 134 ? 19.835 97.099 93.471 1.00 25.54 ? ? ? ? ? ? 133 PHE K CB 1 +ATOM 20902 C CG . PHE K 1 134 ? 20.310 96.155 92.402 1.00 26.82 ? ? ? ? ? ? 133 PHE K CG 1 +ATOM 20903 C CD1 . PHE K 1 134 ? 19.419 95.369 91.703 1.00 24.52 ? ? ? ? ? ? 133 PHE K CD1 1 +ATOM 20904 C CD2 . PHE K 1 134 ? 21.665 96.030 92.112 1.00 26.00 ? ? ? ? ? ? 133 PHE K CD2 1 +ATOM 20905 C CE1 . PHE K 1 134 ? 19.858 94.502 90.723 1.00 24.33 ? ? ? ? ? ? 133 PHE K CE1 1 +ATOM 20906 C CE2 . PHE K 1 134 ? 22.109 95.123 91.124 1.00 26.42 ? ? ? ? ? ? 133 PHE K CE2 1 +ATOM 20907 C CZ . PHE K 1 134 ? 21.212 94.371 90.443 1.00 19.26 ? ? ? ? ? ? 133 PHE K CZ 1 +ATOM 20908 N N . GLU K 1 135 ? 18.903 100.057 94.618 1.00 26.68 ? ? ? ? ? ? 134 GLU K N 1 +ATOM 20909 C CA . GLU K 1 135 ? 18.331 100.833 95.724 1.00 25.61 ? ? ? ? ? ? 134 GLU K CA 1 +ATOM 20910 C C . GLU K 1 135 ? 17.215 101.745 95.224 1.00 25.97 ? ? ? ? ? ? 134 GLU K C 1 +ATOM 20911 O O . GLU K 1 135 ? 16.238 101.970 95.931 1.00 24.79 ? ? ? ? ? ? 134 GLU K O 1 +ATOM 20912 C CB . GLU K 1 135 ? 19.381 101.728 96.430 1.00 27.53 ? ? ? ? ? ? 134 GLU K CB 1 +ATOM 20913 C CG . GLU K 1 135 ? 20.673 101.063 96.922 1.00 43.01 ? ? ? ? ? ? 134 GLU K CG 1 +ATOM 20914 C CD . GLU K 1 135 ? 20.452 100.055 98.061 1.00 56.89 ? ? ? ? ? ? 134 GLU K CD 1 +ATOM 20915 O OE1 . GLU K 1 135 ? 19.548 100.281 98.900 1.00 68.74 ? ? ? ? ? ? 134 GLU K OE1 1 +ATOM 20916 O OE2 . GLU K 1 135 ? 21.188 99.039 98.120 1.00 67.68 ? ? ? ? ? ? 134 GLU K OE2 1 +ATOM 20917 N N . TYR K 1 136 ? 17.388 102.313 94.023 1.00 23.52 ? ? ? ? ? ? 135 TYR K N 1 +ATOM 20918 C CA . TYR K 1 136 ? 16.380 103.211 93.426 1.00 22.21 ? ? ? ? ? ? 135 TYR K CA 1 +ATOM 20919 C C . TYR K 1 136 ? 16.034 102.710 92.023 1.00 23.03 ? ? ? ? ? ? 135 TYR K C 1 +ATOM 20920 O O . TYR K 1 136 ? 16.556 103.223 91.032 1.00 21.24 ? ? ? ? ? ? 135 TYR K O 1 +ATOM 20921 C CB . TYR K 1 136 ? 16.919 104.671 93.369 1.00 21.33 ? ? ? ? ? ? 135 TYR K CB 1 +ATOM 20922 C CG . TYR K 1 136 ? 17.364 105.248 94.703 1.00 20.94 ? ? ? ? ? ? 135 TYR K CG 1 +ATOM 20923 C CD1 . TYR K 1 136 ? 16.486 105.942 95.512 1.00 22.00 ? ? ? ? ? ? 135 TYR K CD1 1 +ATOM 20924 C CD2 . TYR K 1 136 ? 18.681 105.117 95.135 1.00 23.55 ? ? ? ? ? ? 135 TYR K CD2 1 +ATOM 20925 C CE1 . TYR K 1 136 ? 16.903 106.469 96.738 1.00 27.08 ? ? ? ? ? ? 135 TYR K CE1 1 +ATOM 20926 C CE2 . TYR K 1 136 ? 19.095 105.615 96.346 1.00 18.93 ? ? ? ? ? ? 135 TYR K CE2 1 +ATOM 20927 C CZ . TYR K 1 136 ? 18.206 106.295 97.144 1.00 24.83 ? ? ? ? ? ? 135 TYR K CZ 1 +ATOM 20928 O OH . TYR K 1 136 ? 18.616 106.779 98.360 1.00 22.81 ? ? ? ? ? ? 135 TYR K OH 1 +ATOM 20929 N N . PRO K 1 137 ? 15.196 101.662 91.922 1.00 25.00 ? ? ? ? ? ? 136 PRO K N 1 +ATOM 20930 C CA . PRO K 1 137 ? 14.888 101.053 90.589 1.00 25.81 ? ? ? ? ? ? 136 PRO K CA 1 +ATOM 20931 C C . PRO K 1 137 ? 14.107 101.945 89.618 1.00 25.90 ? ? ? ? ? ? 136 PRO K C 1 +ATOM 20932 O O . PRO K 1 137 ? 14.097 101.677 88.418 1.00 27.13 ? ? ? ? ? ? 136 PRO K O 1 +ATOM 20933 C CB . PRO K 1 137 ? 14.093 99.797 90.937 1.00 25.04 ? ? ? ? ? ? 136 PRO K CB 1 +ATOM 20934 C CG . PRO K 1 137 ? 13.625 99.994 92.322 1.00 27.16 ? ? ? ? ? ? 136 PRO K CG 1 +ATOM 20935 C CD . PRO K 1 137 ? 14.547 100.941 93.022 1.00 25.34 ? ? ? ? ? ? 136 PRO K CD 1 +ATOM 20936 N N . ASP K 1 138 ? 13.515 103.019 90.131 1.00 25.64 ? ? ? ? ? ? 137 ASP K N 1 +ATOM 20937 C CA . ASP K 1 138 ? 12.797 103.981 89.313 1.00 25.69 ? ? ? ? ? ? 137 ASP K CA 1 +ATOM 20938 C C . ASP K 1 138 ? 13.636 105.188 88.912 1.00 24.34 ? ? ? ? ? ? 137 ASP K C 1 +ATOM 20939 O O . ASP K 1 138 ? 13.124 106.072 88.268 1.00 23.88 ? ? ? ? ? ? 137 ASP K O 1 +ATOM 20940 C CB . ASP K 1 138 ? 11.529 104.444 90.039 1.00 26.45 ? ? ? ? ? ? 137 ASP K CB 1 +ATOM 20941 C CG . ASP K 1 138 ? 11.811 105.082 91.402 1.00 31.36 ? ? ? ? ? ? 137 ASP K CG 1 +ATOM 20942 O OD1 . ASP K 1 138 ? 12.910 104.893 91.988 1.00 32.25 ? ? ? ? ? ? 137 ASP K OD1 1 +ATOM 20943 O OD2 . ASP K 1 138 ? 10.905 105.761 91.911 1.00 42.33 ? ? ? ? ? ? 137 ASP K OD2 1 +ATOM 20944 N N . PHE K 1 139 ? 14.930 105.197 89.242 1.00 22.96 ? ? ? ? ? ? 138 PHE K N 1 +ATOM 20945 C CA . PHE K 1 139 ? 15.807 106.331 89.005 1.00 21.21 ? ? ? ? ? ? 138 PHE K CA 1 +ATOM 20946 C C . PHE K 1 139 ? 16.862 105.930 87.963 1.00 21.40 ? ? ? ? ? ? 138 PHE K C 1 +ATOM 20947 O O . PHE K 1 139 ? 17.700 105.089 88.247 1.00 22.07 ? ? ? ? ? ? 138 PHE K O 1 +ATOM 20948 C CB . PHE K 1 139 ? 16.518 106.720 90.320 1.00 22.06 ? ? ? ? ? ? 138 PHE K CB 1 +ATOM 20949 C CG . PHE K 1 139 ? 17.113 108.103 90.308 1.00 22.90 ? ? ? ? ? ? 138 PHE K CG 1 +ATOM 20950 C CD1 . PHE K 1 139 ? 18.382 108.325 89.828 1.00 28.99 ? ? ? ? ? ? 138 PHE K CD1 1 +ATOM 20951 C CD2 . PHE K 1 139 ? 16.402 109.182 90.822 1.00 25.62 ? ? ? ? ? ? 138 PHE K CD2 1 +ATOM 20952 C CE1 . PHE K 1 139 ? 18.930 109.593 89.815 1.00 29.86 ? ? ? ? ? ? 138 PHE K CE1 1 +ATOM 20953 C CE2 . PHE K 1 139 ? 16.943 110.470 90.803 1.00 27.32 ? ? ? ? ? ? 138 PHE K CE2 1 +ATOM 20954 C CZ . PHE K 1 139 ? 18.212 110.674 90.288 1.00 24.99 ? ? ? ? ? ? 138 PHE K CZ 1 +ATOM 20955 N N . LEU K 1 140 ? 16.790 106.516 86.774 1.00 21.00 ? ? ? ? ? ? 139 LEU K N 1 +ATOM 20956 C CA . LEU K 1 140 ? 17.698 106.276 85.697 1.00 21.63 ? ? ? ? ? ? 139 LEU K CA 1 +ATOM 20957 C C . LEU K 1 140 ? 18.955 107.120 85.867 1.00 21.38 ? ? ? ? ? ? 139 LEU K C 1 +ATOM 20958 O O . LEU K 1 140 ? 18.888 108.353 85.963 1.00 22.06 ? ? ? ? ? ? 139 LEU K O 1 +ATOM 20959 C CB . LEU K 1 140 ? 17.015 106.642 84.380 1.00 21.42 ? ? ? ? ? ? 139 LEU K CB 1 +ATOM 20960 C CG . LEU K 1 140 ? 17.737 106.416 83.060 1.00 23.25 ? ? ? ? ? ? 139 LEU K CG 1 +ATOM 20961 C CD1 . LEU K 1 140 ? 18.101 104.919 82.895 1.00 24.75 ? ? ? ? ? ? 139 LEU K CD1 1 +ATOM 20962 C CD2 . LEU K 1 140 ? 16.810 106.890 81.936 1.00 21.37 ? ? ? ? ? ? 139 LEU K CD2 1 +ATOM 20963 N N . ILE K 1 141 ? 20.103 106.453 85.876 1.00 20.18 ? ? ? ? ? ? 140 ILE K N 1 +ATOM 20964 C CA . ILE K 1 141 ? 21.389 107.143 85.849 1.00 19.41 ? ? ? ? ? ? 140 ILE K CA 1 +ATOM 20965 C C . ILE K 1 141 ? 22.229 106.662 84.662 1.00 19.29 ? ? ? ? ? ? 140 ILE K C 1 +ATOM 20966 O O . ILE K 1 141 ? 22.436 105.459 84.479 1.00 18.66 ? ? ? ? ? ? 140 ILE K O 1 +ATOM 20967 C CB . ILE K 1 141 ? 22.189 106.955 87.155 1.00 20.02 ? ? ? ? ? ? 140 ILE K CB 1 +ATOM 20968 C CG1 . ILE K 1 141 ? 21.308 107.175 88.380 1.00 20.22 ? ? ? ? ? ? 140 ILE K CG1 1 +ATOM 20969 C CG2 . ILE K 1 141 ? 23.395 107.908 87.162 1.00 18.97 ? ? ? ? ? ? 140 ILE K CG2 1 +ATOM 20970 C CD1 . ILE K 1 141 ? 21.969 106.827 89.712 1.00 18.82 ? ? ? ? ? ? 140 ILE K CD1 1 +ATOM 20971 N N . ALA K 1 142 ? 22.656 107.622 83.833 1.00 19.42 ? ? ? ? ? ? 141 ALA K N 1 +ATOM 20972 C CA . ALA K 1 142 ? 23.587 107.390 82.746 1.00 18.26 ? ? ? ? ? ? 141 ALA K CA 1 +ATOM 20973 C C . ALA K 1 142 ? 24.915 108.083 83.074 1.00 18.39 ? ? ? ? ? ? 141 ALA K C 1 +ATOM 20974 O O . ALA K 1 142 ? 24.951 109.056 83.863 1.00 18.89 ? ? ? ? ? ? 141 ALA K O 1 +ATOM 20975 C CB . ALA K 1 142 ? 22.983 107.918 81.381 1.00 16.89 ? ? ? ? ? ? 141 ALA K CB 1 +ATOM 20976 N N . ALA K 1 143 ? 26.003 107.587 82.483 1.00 17.58 ? ? ? ? ? ? 142 ALA K N 1 +ATOM 20977 C CA . ALA K 1 143 ? 27.338 108.221 82.616 1.00 18.42 ? ? ? ? ? ? 142 ALA K CA 1 +ATOM 20978 C C . ALA K 1 143 ? 28.031 108.347 81.284 1.00 18.79 ? ? ? ? ? ? 142 ALA K C 1 +ATOM 20979 O O . ALA K 1 143 ? 27.987 107.429 80.465 1.00 18.98 ? ? ? ? ? ? 142 ALA K O 1 +ATOM 20980 C CB . ALA K 1 143 ? 28.266 107.410 83.600 1.00 15.63 ? ? ? ? ? ? 142 ALA K CB 1 +ATOM 20981 N N . ALA K 1 144 ? 28.724 109.470 81.110 1.00 19.88 ? ? ? ? ? ? 143 ALA K N 1 +ATOM 20982 C CA . ALA K 1 144 ? 29.516 109.758 79.918 1.00 20.71 ? ? ? ? ? ? 143 ALA K CA 1 +ATOM 20983 C C . ALA K 1 144 ? 30.751 110.595 80.273 1.00 20.57 ? ? ? ? ? ? 143 ALA K C 1 +ATOM 20984 O O . ALA K 1 144 ? 30.702 111.454 81.157 1.00 19.78 ? ? ? ? ? ? 143 ALA K O 1 +ATOM 20985 C CB . ALA K 1 144 ? 28.667 110.519 78.843 1.00 18.82 ? ? ? ? ? ? 143 ALA K CB 1 +ATOM 20986 N N . ASN K 1 145 ? 31.849 110.356 79.580 1.00 20.35 ? ? ? ? ? ? 144 ASN K N 1 +ATOM 20987 C CA . ASN K 1 145 ? 32.926 111.364 79.505 1.00 21.44 ? ? ? ? ? ? 144 ASN K CA 1 +ATOM 20988 C C . ASN K 1 145 ? 32.634 112.324 78.332 1.00 21.21 ? ? ? ? ? ? 144 ASN K C 1 +ATOM 20989 O O . ASN K 1 145 ? 32.450 111.865 77.201 1.00 21.04 ? ? ? ? ? ? 144 ASN K O 1 +ATOM 20990 C CB . ASN K 1 145 ? 34.295 110.711 79.284 1.00 21.46 ? ? ? ? ? ? 144 ASN K CB 1 +ATOM 20991 C CG . ASN K 1 145 ? 34.792 109.966 80.507 1.00 27.28 ? ? ? ? ? ? 144 ASN K CG 1 +ATOM 20992 O OD1 . ASN K 1 145 ? 34.980 110.568 81.571 1.00 25.82 ? ? ? ? ? ? 144 ASN K OD1 1 +ATOM 20993 N ND2 . ASN K 1 145 ? 35.005 108.644 80.369 1.00 20.28 ? ? ? ? ? ? 144 ASN K ND2 1 +ATOM 20994 N N . TRP K 1 146 ? 32.616 113.644 78.576 1.00 20.03 ? ? ? ? ? ? 145 TRP K N 1 +ATOM 20995 C CA . TRP K 1 146 ? 32.285 114.594 77.502 1.00 20.64 ? ? ? ? ? ? 145 TRP K CA 1 +ATOM 20996 C C . TRP K 1 146 ? 33.236 114.361 76.327 1.00 20.56 ? ? ? ? ? ? 145 TRP K C 1 +ATOM 20997 O O . TRP K 1 146 ? 32.826 114.472 75.171 1.00 21.12 ? ? ? ? ? ? 145 TRP K O 1 +ATOM 20998 C CB . TRP K 1 146 ? 32.261 116.061 77.967 1.00 19.05 ? ? ? ? ? ? 145 TRP K CB 1 +ATOM 20999 C CG . TRP K 1 146 ? 33.629 116.572 78.244 1.00 19.01 ? ? ? ? ? ? 145 TRP K CG 1 +ATOM 21000 C CD1 . TRP K 1 146 ? 34.251 116.585 79.430 1.00 17.57 ? ? ? ? ? ? 145 TRP K CD1 1 +ATOM 21001 C CD2 . TRP K 1 146 ? 34.564 117.118 77.286 1.00 22.73 ? ? ? ? ? ? 145 TRP K CD2 1 +ATOM 21002 N NE1 . TRP K 1 146 ? 35.518 117.114 79.300 1.00 22.61 ? ? ? ? ? ? 145 TRP K NE1 1 +ATOM 21003 C CE2 . TRP K 1 146 ? 35.736 117.445 77.990 1.00 19.51 ? ? ? ? ? ? 145 TRP K CE2 1 +ATOM 21004 C CE3 . TRP K 1 146 ? 34.506 117.385 75.907 1.00 20.62 ? ? ? ? ? ? 145 TRP K CE3 1 +ATOM 21005 C CZ2 . TRP K 1 146 ? 36.862 117.989 77.361 1.00 23.36 ? ? ? ? ? ? 145 TRP K CZ2 1 +ATOM 21006 C CZ3 . TRP K 1 146 ? 35.619 117.922 75.283 1.00 21.41 ? ? ? ? ? ? 145 TRP K CZ3 1 +ATOM 21007 C CH2 . TRP K 1 146 ? 36.786 118.219 76.006 1.00 22.43 ? ? ? ? ? ? 145 TRP K CH2 1 +ATOM 21008 N N . PHE K 1 147 ? 34.489 113.999 76.609 1.00 21.62 ? ? ? ? ? ? 146 PHE K N 1 +ATOM 21009 C CA . PHE K 1 147 ? 35.518 113.874 75.565 1.00 21.13 ? ? ? ? ? ? 146 PHE K CA 1 +ATOM 21010 C C . PHE K 1 147 ? 35.469 112.573 74.783 1.00 21.73 ? ? ? ? ? ? 146 PHE K C 1 +ATOM 21011 O O . PHE K 1 147 ? 36.285 112.364 73.912 1.00 23.41 ? ? ? ? ? ? 146 PHE K O 1 +ATOM 21012 C CB . PHE K 1 147 ? 36.924 114.072 76.125 1.00 21.46 ? ? ? ? ? ? 146 PHE K CB 1 +ATOM 21013 C CG . PHE K 1 147 ? 37.220 113.238 77.341 1.00 24.43 ? ? ? ? ? ? 146 PHE K CG 1 +ATOM 21014 C CD1 . PHE K 1 147 ? 37.637 111.926 77.211 1.00 24.39 ? ? ? ? ? ? 146 PHE K CD1 1 +ATOM 21015 C CD2 . PHE K 1 147 ? 37.108 113.792 78.624 1.00 23.71 ? ? ? ? ? ? 146 PHE K CD2 1 +ATOM 21016 C CE1 . PHE K 1 147 ? 37.916 111.155 78.330 1.00 28.61 ? ? ? ? ? ? 146 PHE K CE1 1 +ATOM 21017 C CE2 . PHE K 1 147 ? 37.378 113.034 79.756 1.00 26.27 ? ? ? ? ? ? 146 PHE K CE2 1 +ATOM 21018 C CZ . PHE K 1 147 ? 37.776 111.708 79.617 1.00 28.88 ? ? ? ? ? ? 146 PHE K CZ 1 +ATOM 21019 N N . GLU K 1 148 ? 34.513 111.707 75.098 1.00 21.98 ? ? ? ? ? ? 147 GLU K N 1 +ATOM 21020 C CA . GLU K 1 148 ? 34.264 110.491 74.329 1.00 21.67 ? ? ? ? ? ? 147 GLU K CA 1 +ATOM 21021 C C . GLU K 1 148 ? 32.976 110.582 73.552 1.00 22.25 ? ? ? ? ? ? 147 GLU K C 1 +ATOM 21022 O O . GLU K 1 148 ? 32.631 109.638 72.849 1.00 23.93 ? ? ? ? ? ? 147 GLU K O 1 +ATOM 21023 C CB . GLU K 1 148 ? 34.199 109.272 75.249 1.00 21.81 ? ? ? ? ? ? 147 GLU K CB 1 +ATOM 21024 C CG . GLU K 1 148 ? 35.462 109.040 76.040 1.00 21.89 ? ? ? ? ? ? 147 GLU K CG 1 +ATOM 21025 C CD . GLU K 1 148 ? 35.395 107.855 76.960 1.00 24.46 ? ? ? ? ? ? 147 GLU K CD 1 +ATOM 21026 O OE1 . GLU K 1 148 ? 34.283 107.504 77.458 1.00 25.80 ? ? ? ? ? ? 147 GLU K OE1 1 +ATOM 21027 O OE2 . GLU K 1 148 ? 36.485 107.281 77.205 1.00 32.14 ? ? ? ? ? ? 147 GLU K OE2 1 +ATOM 21028 N N . VAL K 1 149 ? 32.231 111.674 73.704 1.00 23.04 ? ? ? ? ? ? 148 VAL K N 1 +ATOM 21029 C CA . VAL K 1 149 ? 30.960 111.840 72.971 1.00 22.55 ? ? ? ? ? ? 148 VAL K CA 1 +ATOM 21030 C C . VAL K 1 149 ? 31.206 111.897 71.441 1.00 23.72 ? ? ? ? ? ? 148 VAL K C 1 +ATOM 21031 O O . VAL K 1 149 ? 30.435 111.349 70.651 1.00 23.02 ? ? ? ? ? ? 148 VAL K O 1 +ATOM 21032 C CB . VAL K 1 149 ? 30.152 113.059 73.481 1.00 23.20 ? ? ? ? ? ? 148 VAL K CB 1 +ATOM 21033 C CG1 . VAL K 1 149 ? 28.975 113.328 72.568 1.00 17.65 ? ? ? ? ? ? 148 VAL K CG1 1 +ATOM 21034 C CG2 . VAL K 1 149 ? 29.647 112.788 74.954 1.00 19.10 ? ? ? ? ? ? 148 VAL K CG2 1 +ATOM 21035 N N . VAL K 1 150 ? 32.293 112.551 71.057 1.00 23.62 ? ? ? ? ? ? 149 VAL K N 1 +ATOM 21036 C CA . VAL K 1 150 ? 32.793 112.557 69.680 1.00 22.92 ? ? ? ? ? ? 149 VAL K CA 1 +ATOM 21037 C C . VAL K 1 150 ? 34.294 112.334 69.777 1.00 24.53 ? ? ? ? ? ? 149 VAL K C 1 +ATOM 21038 O O . VAL K 1 150 ? 34.949 112.919 70.631 1.00 23.85 ? ? ? ? ? ? 149 VAL K O 1 +ATOM 21039 C CB . VAL K 1 150 ? 32.496 113.900 68.960 1.00 24.96 ? ? ? ? ? ? 149 VAL K CB 1 +ATOM 21040 C CG1 . VAL K 1 150 ? 33.170 113.915 67.580 1.00 22.33 ? ? ? ? ? ? 149 VAL K CG1 1 +ATOM 21041 C CG2 . VAL K 1 150 ? 30.952 114.119 68.851 1.00 18.98 ? ? ? ? ? ? 149 VAL K CG2 1 +ATOM 21042 N N . SER K 1 151 ? 34.824 111.460 68.919 1.00 27.02 ? ? ? ? ? ? 150 SER K N 1 +ATOM 21043 C CA . SER K 1 151 ? 36.248 111.173 68.910 1.00 29.53 ? ? ? ? ? ? 150 SER K CA 1 +ATOM 21044 C C . SER K 1 151 ? 36.972 112.430 68.498 1.00 29.82 ? ? ? ? ? ? 150 SER K C 1 +ATOM 21045 O O . SER K 1 151 ? 36.485 113.166 67.625 1.00 30.27 ? ? ? ? ? ? 150 SER K O 1 +ATOM 21046 C CB . SER K 1 151 ? 36.590 110.046 67.920 1.00 31.50 ? ? ? ? ? ? 150 SER K CB 1 +ATOM 21047 O OG . SER K 1 151 ? 37.997 109.840 67.922 1.00 37.20 ? ? ? ? ? ? 150 SER K OG 1 +ATOM 21048 N N . PRO K 1 152 ? 38.109 112.718 69.158 1.00 31.84 ? ? ? ? ? ? 151 PRO K N 1 +ATOM 21049 C CA . PRO K 1 152 ? 38.901 113.889 68.800 1.00 32.95 ? ? ? ? ? ? 151 PRO K CA 1 +ATOM 21050 C C . PRO K 1 152 ? 39.709 113.685 67.507 1.00 34.55 ? ? ? ? ? ? 151 PRO K C 1 +ATOM 21051 O O . PRO K 1 152 ? 40.231 114.664 66.970 1.00 34.57 ? ? ? ? ? ? 151 PRO K O 1 +ATOM 21052 C CB . PRO K 1 152 ? 39.789 114.102 70.028 1.00 32.72 ? ? ? ? ? ? 151 PRO K CB 1 +ATOM 21053 C CG . PRO K 1 152 ? 39.934 112.758 70.607 1.00 34.81 ? ? ? ? ? ? 151 PRO K CG 1 +ATOM 21054 C CD . PRO K 1 152 ? 38.676 111.999 70.309 1.00 33.70 ? ? ? ? ? ? 151 PRO K CD 1 +ATOM 21055 N N . LYS K 1 153 ? 39.784 112.438 67.032 1.00 38.07 ? ? ? ? ? ? 152 LYS K N 1 +ATOM 21056 C CA . LYS K 1 153 ? 40.382 112.088 65.742 1.00 42.26 ? ? ? ? ? ? 152 LYS K CA 1 +ATOM 21057 C C . LYS K 1 153 ? 39.913 112.992 64.582 1.00 42.06 ? ? ? ? ? ? 152 LYS K C 1 +ATOM 21058 O O . LYS K 1 153 ? 38.714 113.056 64.245 1.00 43.54 ? ? ? ? ? ? 152 LYS K O 1 +ATOM 21059 C CB . LYS K 1 153 ? 40.051 110.628 65.392 1.00 44.63 ? ? ? ? ? ? 152 LYS K CB 1 +ATOM 21060 C CG . LYS K 1 153 ? 41.034 109.577 65.936 1.00 55.47 ? ? ? ? ? ? 152 LYS K CG 1 +ATOM 21061 C CD . LYS K 1 153 ? 41.360 108.504 64.863 1.00 64.90 ? ? ? ? ? ? 152 LYS K CD 1 +ATOM 21062 C CE . LYS K 1 153 ? 42.277 109.065 63.743 1.00 66.96 ? ? ? ? ? ? 152 LYS K CE 1 +ATOM 21063 N NZ . LYS K 1 153 ? 42.681 108.039 62.738 1.00 67.19 ? ? ? ? ? ? 152 LYS K NZ 1 +ATOM 21064 N N . GLY K 1 154 ? 40.865 113.694 63.975 1.00 39.80 ? ? ? ? ? ? 153 GLY K N 1 +ATOM 21065 C CA . GLY K 1 154 ? 40.567 114.591 62.867 1.00 35.89 ? ? ? ? ? ? 153 GLY K CA 1 +ATOM 21066 C C . GLY K 1 154 ? 40.115 115.976 63.270 1.00 33.00 ? ? ? ? ? ? 153 GLY K C 1 +ATOM 21067 O O . GLY K 1 154 ? 39.873 116.827 62.403 1.00 34.05 ? ? ? ? ? ? 153 GLY K O 1 +ATOM 21068 N N . TYR K 1 155 ? 39.980 116.222 64.577 1.00 29.49 ? ? ? ? ? ? 154 TYR K N 1 +ATOM 21069 C CA . TYR K 1 155 ? 39.738 117.587 65.089 1.00 26.49 ? ? ? ? ? ? 154 TYR K CA 1 +ATOM 21070 C C . TYR K 1 155 ? 41.022 118.267 65.579 1.00 25.02 ? ? ? ? ? ? 154 TYR K C 1 +ATOM 21071 O O . TYR K 1 155 ? 41.057 119.499 65.726 1.00 26.69 ? ? ? ? ? ? 154 TYR K O 1 +ATOM 21072 C CB . TYR K 1 155 ? 38.686 117.542 66.188 1.00 25.19 ? ? ? ? ? ? 154 TYR K CB 1 +ATOM 21073 C CG . TYR K 1 155 ? 37.296 117.261 65.687 1.00 23.96 ? ? ? ? ? ? 154 TYR K CG 1 +ATOM 21074 C CD1 . TYR K 1 155 ? 36.428 118.308 65.329 1.00 26.23 ? ? ? ? ? ? 154 TYR K CD1 1 +ATOM 21075 C CD2 . TYR K 1 155 ? 36.816 115.959 65.601 1.00 26.50 ? ? ? ? ? ? 154 TYR K CD2 1 +ATOM 21076 C CE1 . TYR K 1 155 ? 35.129 118.050 64.902 1.00 25.60 ? ? ? ? ? ? 154 TYR K CE1 1 +ATOM 21077 C CE2 . TYR K 1 155 ? 35.511 115.695 65.168 1.00 22.40 ? ? ? ? ? ? 154 TYR K CE2 1 +ATOM 21078 C CZ . TYR K 1 155 ? 34.685 116.737 64.820 1.00 23.59 ? ? ? ? ? ? 154 TYR K CZ 1 +ATOM 21079 O OH . TYR K 1 155 ? 33.425 116.472 64.345 1.00 27.82 ? ? ? ? ? ? 154 TYR K OH 1 +ATOM 21080 N N . PHE K 1 156 ? 42.066 117.470 65.832 1.00 25.56 ? ? ? ? ? ? 155 PHE K N 1 +ATOM 21081 C CA . PHE K 1 156 ? 43.328 117.923 66.446 1.00 26.71 ? ? ? ? ? ? 155 PHE K CA 1 +ATOM 21082 C C . PHE K 1 156 ? 44.538 117.257 65.798 1.00 29.32 ? ? ? ? ? ? 155 PHE K C 1 +ATOM 21083 O O . PHE K 1 156 ? 44.427 116.137 65.269 1.00 31.60 ? ? ? ? ? ? 155 PHE K O 1 +ATOM 21084 C CB . PHE K 1 156 ? 43.332 117.628 67.964 1.00 27.02 ? ? ? ? ? ? 155 PHE K CB 1 +ATOM 21085 C CG . PHE K 1 156 ? 42.198 118.273 68.674 1.00 24.47 ? ? ? ? ? ? 155 PHE K CG 1 +ATOM 21086 C CD1 . PHE K 1 156 ? 42.182 119.659 68.845 1.00 21.65 ? ? ? ? ? ? 155 PHE K CD1 1 +ATOM 21087 C CD2 . PHE K 1 156 ? 41.076 117.533 69.038 1.00 22.32 ? ? ? ? ? ? 155 PHE K CD2 1 +ATOM 21088 C CE1 . PHE K 1 156 ? 41.078 120.291 69.413 1.00 22.86 ? ? ? ? ? ? 155 PHE K CE1 1 +ATOM 21089 C CE2 . PHE K 1 156 ? 39.980 118.146 69.618 1.00 24.41 ? ? ? ? ? ? 155 PHE K CE2 1 +ATOM 21090 C CZ . PHE K 1 156 ? 39.977 119.525 69.820 1.00 24.53 ? ? ? ? ? ? 155 PHE K CZ 1 +ATOM 21091 N N . GLU K 1 157 ? 45.691 117.930 65.857 1.00 31.60 ? ? ? ? ? ? 156 GLU K N 1 +ATOM 21092 C CA . GLU K 1 157 ? 46.900 117.494 65.141 1.00 35.18 ? ? ? ? ? ? 156 GLU K CA 1 +ATOM 21093 C C . GLU K 1 157 ? 47.795 116.559 65.954 1.00 34.20 ? ? ? ? ? ? 156 GLU K C 1 +ATOM 21094 O O . GLU K 1 157 ? 48.359 115.611 65.402 1.00 34.89 ? ? ? ? ? ? 156 GLU K O 1 +ATOM 21095 C CB . GLU K 1 157 ? 47.748 118.705 64.698 1.00 37.30 ? ? ? ? ? ? 156 GLU K CB 1 +ATOM 21096 C CG . GLU K 1 157 ? 47.046 119.727 63.760 1.00 42.56 ? ? ? ? ? ? 156 GLU K CG 1 +ATOM 21097 C CD . GLU K 1 157 ? 47.939 120.958 63.478 1.00 43.78 ? ? ? ? ? ? 156 GLU K CD 1 +ATOM 21098 O OE1 . GLU K 1 157 ? 49.092 120.769 62.987 1.00 56.38 ? ? ? ? ? ? 156 GLU K OE1 1 +ATOM 21099 O OE2 . GLU K 1 157 ? 47.487 122.108 63.753 1.00 56.46 ? ? ? ? ? ? 156 GLU K OE2 1 +ATOM 21100 N N . ALA K 1 158 ? 47.959 116.844 67.251 1.00 35.25 ? ? ? ? ? ? 157 ALA K N 1 +ATOM 21101 C CA . ALA K 1 158 ? 48.837 116.043 68.109 1.00 34.70 ? ? ? ? ? ? 157 ALA K CA 1 +ATOM 21102 C C . ALA K 1 158 ? 48.295 114.616 68.218 1.00 36.00 ? ? ? ? ? ? 157 ALA K C 1 +ATOM 21103 O O . ALA K 1 158 ? 47.061 114.395 68.301 1.00 35.49 ? ? ? ? ? ? 157 ALA K O 1 +ATOM 21104 C CB . ALA K 1 158 ? 48.998 116.680 69.483 1.00 34.44 ? ? ? ? ? ? 157 ALA K CB 1 +ATOM 21105 N N . GLU K 1 159 ? 49.217 113.657 68.194 1.00 37.55 ? ? ? ? ? ? 158 GLU K N 1 +ATOM 21106 C CA . GLU K 1 159 ? 48.847 112.244 68.240 1.00 41.07 ? ? ? ? ? ? 158 GLU K CA 1 +ATOM 21107 C C . GLU K 1 159 ? 48.644 111.729 69.677 1.00 38.18 ? ? ? ? ? ? 158 GLU K C 1 +ATOM 21108 O O . GLU K 1 159 ? 47.641 111.041 69.958 1.00 38.52 ? ? ? ? ? ? 158 GLU K O 1 +ATOM 21109 C CB . GLU K 1 159 ? 49.855 111.380 67.467 1.00 43.41 ? ? ? ? ? ? 158 GLU K CB 1 +ATOM 21110 C CG . GLU K 1 159 ? 49.334 110.885 66.106 1.00 53.81 ? ? ? ? ? ? 158 GLU K CG 1 +ATOM 21111 C CD . GLU K 1 159 ? 48.252 109.805 66.241 1.00 65.33 ? ? ? ? ? ? 158 GLU K CD 1 +ATOM 21112 O OE1 . GLU K 1 159 ? 47.087 110.146 66.555 1.00 73.08 ? ? ? ? ? ? 158 GLU K OE1 1 +ATOM 21113 O OE2 . GLU K 1 159 ? 48.564 108.610 66.024 1.00 72.18 ? ? ? ? ? ? 158 GLU K OE2 1 +ATOM 21114 N N . ILE K 1 160 ? 49.575 112.053 70.572 1.00 35.48 ? ? ? ? ? ? 159 ILE K N 1 +ATOM 21115 C CA . ILE K 1 160 ? 49.343 111.870 72.008 1.00 34.17 ? ? ? ? ? ? 159 ILE K CA 1 +ATOM 21116 C C . ILE K 1 160 ? 48.582 113.111 72.559 1.00 32.82 ? ? ? ? ? ? 159 ILE K C 1 +ATOM 21117 O O . ILE K 1 160 ? 48.987 114.277 72.348 1.00 30.94 ? ? ? ? ? ? 159 ILE K O 1 +ATOM 21118 C CB . ILE K 1 160 ? 50.663 111.612 72.798 1.00 34.95 ? ? ? ? ? ? 159 ILE K CB 1 +ATOM 21119 C CG1 . ILE K 1 160 ? 51.396 110.390 72.225 1.00 37.08 ? ? ? ? ? ? 159 ILE K CG1 1 +ATOM 21120 C CG2 . ILE K 1 160 ? 50.356 111.396 74.309 1.00 34.70 ? ? ? ? ? ? 159 ILE K CG2 1 +ATOM 21121 C CD1 . ILE K 1 160 ? 52.850 110.203 72.699 1.00 36.45 ? ? ? ? ? ? 159 ILE K CD1 1 +ATOM 21122 N N . ASP K 1 161 ? 47.477 112.837 73.256 1.00 31.62 ? ? ? ? ? ? 160 ASP K N 1 +ATOM 21123 C CA . ASP K 1 161 ? 46.566 113.863 73.771 1.00 32.53 ? ? ? ? ? ? 160 ASP K CA 1 +ATOM 21124 C C . ASP K 1 161 ? 45.692 113.235 74.854 1.00 31.99 ? ? ? ? ? ? 160 ASP K C 1 +ATOM 21125 O O . ASP K 1 161 ? 44.507 113.048 74.643 1.00 33.12 ? ? ? ? ? ? 160 ASP K O 1 +ATOM 21126 C CB . ASP K 1 161 ? 45.689 114.403 72.617 1.00 32.60 ? ? ? ? ? ? 160 ASP K CB 1 +ATOM 21127 C CG . ASP K 1 161 ? 44.929 115.678 72.967 1.00 35.09 ? ? ? ? ? ? 160 ASP K CG 1 +ATOM 21128 O OD1 . ASP K 1 161 ? 45.055 116.183 74.088 1.00 37.15 ? ? ? ? ? ? 160 ASP K OD1 1 +ATOM 21129 O OD2 . ASP K 1 161 ? 44.164 116.172 72.098 1.00 43.18 ? ? ? ? ? ? 160 ASP K OD2 1 +ATOM 21130 N N . ASP K 1 162 ? 46.279 112.916 76.010 1.00 31.67 ? ? ? ? ? ? 161 ASP K N 1 +ATOM 21131 C CA . ASP K 1 162 ? 45.577 112.197 77.080 1.00 30.64 ? ? ? ? ? ? 161 ASP K CA 1 +ATOM 21132 C C . ASP K 1 162 ? 45.127 113.103 78.201 1.00 29.52 ? ? ? ? ? ? 161 ASP K C 1 +ATOM 21133 O O . ASP K 1 162 ? 44.018 112.958 78.704 1.00 30.80 ? ? ? ? ? ? 161 ASP K O 1 +ATOM 21134 C CB . ASP K 1 162 ? 46.456 111.090 77.652 1.00 31.63 ? ? ? ? ? ? 161 ASP K CB 1 +ATOM 21135 C CG . ASP K 1 162 ? 46.635 109.918 76.685 1.00 37.49 ? ? ? ? ? ? 161 ASP K CG 1 +ATOM 21136 O OD1 . ASP K 1 162 ? 45.745 109.719 75.811 1.00 46.51 ? ? ? ? ? ? 161 ASP K OD1 1 +ATOM 21137 O OD2 . ASP K 1 162 ? 47.665 109.195 76.798 1.00 46.59 ? ? ? ? ? ? 161 ASP K OD2 1 +ATOM 21138 N N . HIS K 1 163 ? 45.965 114.053 78.585 1.00 26.47 ? ? ? ? ? ? 162 HIS K N 1 +ATOM 21139 C CA . HIS K 1 163 ? 45.683 114.915 79.736 1.00 23.92 ? ? ? ? ? ? 162 HIS K CA 1 +ATOM 21140 C C . HIS K 1 163 ? 46.321 116.275 79.497 1.00 22.30 ? ? ? ? ? ? 162 HIS K C 1 +ATOM 21141 O O . HIS K 1 163 ? 47.529 116.356 79.251 1.00 21.33 ? ? ? ? ? ? 162 HIS K O 1 +ATOM 21142 C CB . HIS K 1 163 ? 46.247 114.275 81.031 1.00 23.42 ? ? ? ? ? ? 162 HIS K CB 1 +ATOM 21143 C CG . HIS K 1 163 ? 46.088 115.125 82.256 1.00 22.61 ? ? ? ? ? ? 162 HIS K CG 1 +ATOM 21144 N ND1 . HIS K 1 163 ? 44.862 115.400 82.823 1.00 26.50 ? ? ? ? ? ? 162 HIS K ND1 1 +ATOM 21145 C CD2 . HIS K 1 163 ? 47.007 115.756 83.027 1.00 25.33 ? ? ? ? ? ? 162 HIS K CD2 1 +ATOM 21146 C CE1 . HIS K 1 163 ? 45.036 116.164 83.888 1.00 27.36 ? ? ? ? ? ? 162 HIS K CE1 1 +ATOM 21147 N NE2 . HIS K 1 163 ? 46.326 116.391 84.036 1.00 20.50 ? ? ? ? ? ? 162 HIS K NE2 1 +ATOM 21148 N N . ALA K 1 164 ? 45.507 117.329 79.526 1.00 21.45 ? ? ? ? ? ? 163 ALA K N 1 +ATOM 21149 C CA . ALA K 1 164 ? 46.015 118.706 79.400 1.00 21.85 ? ? ? ? ? ? 163 ALA K CA 1 +ATOM 21150 C C . ALA K 1 164 ? 46.671 118.971 78.017 1.00 23.28 ? ? ? ? ? ? 163 ALA K C 1 +ATOM 21151 O O . ALA K 1 164 ? 47.514 119.872 77.890 1.00 24.27 ? ? ? ? ? ? 163 ALA K O 1 +ATOM 21152 C CB . ALA K 1 164 ? 47.011 118.951 80.489 1.00 20.66 ? ? ? ? ? ? 163 ALA K CB 1 +ATOM 21153 N N . GLY K 1 165 ? 46.310 118.167 77.016 1.00 23.68 ? ? ? ? ? ? 164 GLY K N 1 +ATOM 21154 C CA . GLY K 1 165 ? 46.916 118.251 75.676 1.00 24.12 ? ? ? ? ? ? 164 GLY K CA 1 +ATOM 21155 C C . GLY K 1 165 ? 46.133 119.161 74.735 1.00 23.46 ? ? ? ? ? ? 164 GLY K C 1 +ATOM 21156 O O . GLY K 1 165 ? 45.501 120.125 75.185 1.00 23.51 ? ? ? ? ? ? 164 GLY K O 1 +ATOM 21157 N N . GLU K 1 166 ? 46.165 118.862 73.432 1.00 22.91 ? ? ? ? ? ? 165 GLU K N 1 +ATOM 21158 C CA . GLU K 1 166 ? 45.622 119.808 72.443 1.00 23.05 ? ? ? ? ? ? 165 GLU K CA 1 +ATOM 21159 C C . GLU K 1 166 ? 44.106 120.003 72.579 1.00 22.35 ? ? ? ? ? ? 165 GLU K C 1 +ATOM 21160 O O . GLU K 1 166 ? 43.631 121.113 72.462 1.00 23.29 ? ? ? ? ? ? 165 GLU K O 1 +ATOM 21161 C CB . GLU K 1 166 ? 45.962 119.361 71.024 1.00 24.17 ? ? ? ? ? ? 165 GLU K CB 1 +ATOM 21162 C CG . GLU K 1 166 ? 45.956 120.454 70.001 1.00 27.46 ? ? ? ? ? ? 165 GLU K CG 1 +ATOM 21163 C CD . GLU K 1 166 ? 46.469 119.975 68.630 1.00 25.08 ? ? ? ? ? ? 165 GLU K CD 1 +ATOM 21164 O OE1 . GLU K 1 166 ? 47.597 119.433 68.550 1.00 28.80 ? ? ? ? ? ? 165 GLU K OE1 1 +ATOM 21165 O OE2 . GLU K 1 166 ? 45.737 120.155 67.641 1.00 27.92 ? ? ? ? ? ? 165 GLU K OE2 1 +ATOM 21166 N N . SER K 1 167 ? 43.359 118.930 72.837 1.00 22.77 ? ? ? ? ? ? 166 SER K N 1 +ATOM 21167 C CA . SER K 1 167 ? 41.892 119.011 72.864 1.00 23.08 ? ? ? ? ? ? 166 SER K CA 1 +ATOM 21168 C C . SER K 1 167 ? 41.370 119.730 74.084 1.00 23.19 ? ? ? ? ? ? 166 SER K C 1 +ATOM 21169 O O . SER K 1 167 ? 40.538 120.616 73.944 1.00 25.21 ? ? ? ? ? ? 166 SER K O 1 +ATOM 21170 C CB . SER K 1 167 ? 41.247 117.639 72.747 1.00 24.51 ? ? ? ? ? ? 166 SER K CB 1 +ATOM 21171 O OG . SER K 1 167 ? 41.584 116.849 73.860 1.00 31.90 ? ? ? ? ? ? 166 SER K OG 1 +ATOM 21172 N N . GLU K 1 168 ? 41.850 119.375 75.281 1.00 23.88 ? ? ? ? ? ? 167 GLU K N 1 +ATOM 21173 C CA . GLU K 1 168 ? 41.372 120.056 76.491 1.00 22.98 ? ? ? ? ? ? 167 GLU K CA 1 +ATOM 21174 C C . GLU K 1 168 ? 41.762 121.519 76.420 1.00 21.08 ? ? ? ? ? ? 167 GLU K C 1 +ATOM 21175 O O . GLU K 1 168 ? 40.948 122.406 76.705 1.00 21.48 ? ? ? ? ? ? 167 GLU K O 1 +ATOM 21176 C CB . GLU K 1 168 ? 41.938 119.427 77.770 1.00 24.05 ? ? ? ? ? ? 167 GLU K CB 1 +ATOM 21177 C CG . GLU K 1 168 ? 41.021 118.430 78.415 1.00 25.92 ? ? ? ? ? ? 167 GLU K CG 1 +ATOM 21178 C CD . GLU K 1 168 ? 41.515 117.947 79.765 1.00 26.93 ? ? ? ? ? ? 167 GLU K CD 1 +ATOM 21179 O OE1 . GLU K 1 168 ? 42.760 117.826 79.971 1.00 25.37 ? ? ? ? ? ? 167 GLU K OE1 1 +ATOM 21180 O OE2 . GLU K 1 168 ? 40.634 117.652 80.614 1.00 24.69 ? ? ? ? ? ? 167 GLU K OE2 1 +ATOM 21181 N N . THR K 1 169 ? 42.997 121.786 76.033 1.00 20.52 ? ? ? ? ? ? 168 THR K N 1 +ATOM 21182 C CA . THR K 1 169 ? 43.452 123.176 75.852 1.00 20.55 ? ? ? ? ? ? 168 THR K CA 1 +ATOM 21183 C C . THR K 1 169 ? 42.618 124.004 74.860 1.00 20.80 ? ? ? ? ? ? 168 THR K C 1 +ATOM 21184 O O . THR K 1 169 ? 42.289 125.160 75.145 1.00 21.89 ? ? ? ? ? ? 168 THR K O 1 +ATOM 21185 C CB . THR K 1 169 ? 44.893 123.222 75.392 1.00 20.07 ? ? ? ? ? ? 168 THR K CB 1 +ATOM 21186 O OG1 . THR K 1 169 ? 45.663 122.347 76.215 1.00 20.93 ? ? ? ? ? ? 168 THR K OG1 1 +ATOM 21187 C CG2 . THR K 1 169 ? 45.438 124.611 75.541 1.00 18.11 ? ? ? ? ? ? 168 THR K CG2 1 +ATOM 21188 N N . SER K 1 170 ? 42.324 123.423 73.691 1.00 20.49 ? ? ? ? ? ? 169 SER K N 1 +ATOM 21189 C CA . SER K 1 170 ? 41.530 124.120 72.686 1.00 20.73 ? ? ? ? ? ? 169 SER K CA 1 +ATOM 21190 C C . SER K 1 170 ? 40.126 124.411 73.215 1.00 21.31 ? ? ? ? ? ? 169 SER K C 1 +ATOM 21191 O O . SER K 1 170 ? 39.575 125.493 72.963 1.00 21.33 ? ? ? ? ? ? 169 SER K O 1 +ATOM 21192 C CB . SER K 1 170 ? 41.388 123.287 71.414 1.00 20.70 ? ? ? ? ? ? 169 SER K CB 1 +ATOM 21193 O OG . SER K 1 170 ? 42.637 122.993 70.833 1.00 21.88 ? ? ? ? ? ? 169 SER K OG 1 +ATOM 21194 N N . VAL K 1 171 ? 39.528 123.448 73.931 1.00 21.43 ? ? ? ? ? ? 170 VAL K N 1 +ATOM 21195 C CA . VAL K 1 171 ? 38.148 123.637 74.432 1.00 19.89 ? ? ? ? ? ? 170 VAL K CA 1 +ATOM 21196 C C . VAL K 1 171 ? 38.143 124.718 75.525 1.00 20.47 ? ? ? ? ? ? 170 VAL K C 1 +ATOM 21197 O O . VAL K 1 171 ? 37.250 125.586 75.553 1.00 22.55 ? ? ? ? ? ? 170 VAL K O 1 +ATOM 21198 C CB . VAL K 1 171 ? 37.506 122.291 74.886 1.00 18.94 ? ? ? ? ? ? 170 VAL K CB 1 +ATOM 21199 C CG1 . VAL K 1 171 ? 36.031 122.480 75.324 1.00 18.99 ? ? ? ? ? ? 170 VAL K CG1 1 +ATOM 21200 C CG2 . VAL K 1 171 ? 37.591 121.275 73.754 1.00 18.73 ? ? ? ? ? ? 170 VAL K CG2 1 +ATOM 21201 N N . MSE K 1 172 ? 39.172 124.704 76.388 1.00 20.27 ? ? ? ? ? ? 171 MSE K N 1 +ATOM 21202 C CA . MSE K 1 172 ? 39.350 125.758 77.422 1.00 20.68 ? ? ? ? ? ? 171 MSE K CA 1 +ATOM 21203 C C . MSE K 1 172 ? 39.578 127.151 76.794 1.00 21.19 ? ? ? ? ? ? 171 MSE K C 1 +ATOM 21204 O O . MSE K 1 172 ? 39.014 128.154 77.241 1.00 21.57 ? ? ? ? ? ? 171 MSE K O 1 +ATOM 21205 C CB . MSE K 1 172 ? 40.530 125.391 78.359 1.00 21.51 ? ? ? ? ? ? 171 MSE K CB 1 +ATOM 21206 C CG . MSE K 1 172 ? 40.661 126.299 79.601 1.00 21.90 ? ? ? ? ? ? 171 MSE K CG 1 +ATOM 21207 SE SE . MSE K 1 172 ? 39.029 126.491 80.700 0.75 25.74 ? ? ? ? ? ? 171 MSE K SE 1 +ATOM 21208 C CE . MSE K 1 172 ? 38.897 124.561 81.358 1.00 21.70 ? ? ? ? ? ? 171 MSE K CE 1 +ATOM 21209 N N . MSE K 1 173 ? 40.391 127.202 75.742 1.00 21.85 ? ? ? ? ? ? 172 MSE K N 1 +ATOM 21210 C CA . MSE K 1 173 ? 40.588 128.455 74.976 1.00 22.02 ? ? ? ? ? ? 172 MSE K CA 1 +ATOM 21211 C C . MSE K 1 173 ? 39.277 128.966 74.369 1.00 22.61 ? ? ? ? ? ? 172 MSE K C 1 +ATOM 21212 O O . MSE K 1 173 ? 39.035 130.177 74.280 1.00 23.75 ? ? ? ? ? ? 172 MSE K O 1 +ATOM 21213 C CB . MSE K 1 173 ? 41.625 128.240 73.878 1.00 22.67 ? ? ? ? ? ? 172 MSE K CB 1 +ATOM 21214 C CG . MSE K 1 173 ? 43.018 128.163 74.438 1.00 23.08 ? ? ? ? ? ? 172 MSE K CG 1 +ATOM 21215 SE SE . MSE K 1 173 ? 44.357 127.717 73.104 0.75 25.61 ? ? ? ? ? ? 172 MSE K SE 1 +ATOM 21216 C CE . MSE K 1 173 ? 44.944 129.603 72.491 1.00 26.24 ? ? ? ? ? ? 172 MSE K CE 1 +ATOM 21217 N N . HIS K 1 174 ? 38.438 128.031 73.934 1.00 22.70 ? ? ? ? ? ? 173 HIS K N 1 +ATOM 21218 C CA . HIS K 1 174 ? 37.121 128.384 73.428 1.00 21.80 ? ? ? ? ? ? 173 HIS K CA 1 +ATOM 21219 C C . HIS K 1 174 ? 36.236 128.979 74.532 1.00 23.07 ? ? ? ? ? ? 173 HIS K C 1 +ATOM 21220 O O . HIS K 1 174 ? 35.804 130.127 74.429 1.00 23.15 ? ? ? ? ? ? 173 HIS K O 1 +ATOM 21221 C CB . HIS K 1 174 ? 36.446 127.180 72.752 1.00 21.07 ? ? ? ? ? ? 173 HIS K CB 1 +ATOM 21222 C CG . HIS K 1 174 ? 35.017 127.452 72.395 1.00 22.11 ? ? ? ? ? ? 173 HIS K CG 1 +ATOM 21223 N ND1 . HIS K 1 174 ? 34.646 128.500 71.583 1.00 23.26 ? ? ? ? ? ? 173 HIS K ND1 1 +ATOM 21224 C CD2 . HIS K 1 174 ? 33.871 126.857 72.789 1.00 19.68 ? ? ? ? ? ? 173 HIS K CD2 1 +ATOM 21225 C CE1 . HIS K 1 174 ? 33.328 128.540 71.492 1.00 26.92 ? ? ? ? ? ? 173 HIS K CE1 1 +ATOM 21226 N NE2 . HIS K 1 174 ? 32.832 127.549 72.212 1.00 24.35 ? ? ? ? ? ? 173 HIS K NE2 1 +ATOM 21227 N N . TYR K 1 175 ? 36.011 128.232 75.611 1.00 22.71 ? ? ? ? ? ? 174 TYR K N 1 +ATOM 21228 C CA . TYR K 1 175 ? 35.099 128.679 76.664 1.00 21.56 ? ? ? ? ? ? 174 TYR K CA 1 +ATOM 21229 C C . TYR K 1 175 ? 35.615 129.733 77.591 1.00 20.61 ? ? ? ? ? ? 174 TYR K C 1 +ATOM 21230 O O . TYR K 1 175 ? 34.830 130.577 77.989 1.00 19.62 ? ? ? ? ? ? 174 TYR K O 1 +ATOM 21231 C CB . TYR K 1 175 ? 34.612 127.508 77.525 1.00 22.66 ? ? ? ? ? ? 174 TYR K CB 1 +ATOM 21232 C CG . TYR K 1 175 ? 33.599 126.652 76.849 1.00 21.11 ? ? ? ? ? ? 174 TYR K CG 1 +ATOM 21233 C CD1 . TYR K 1 175 ? 32.365 127.160 76.493 1.00 24.22 ? ? ? ? ? ? 174 TYR K CD1 1 +ATOM 21234 C CD2 . TYR K 1 175 ? 33.868 125.318 76.570 1.00 23.89 ? ? ? ? ? ? 174 TYR K CD2 1 +ATOM 21235 C CE1 . TYR K 1 175 ? 31.418 126.352 75.879 1.00 24.24 ? ? ? ? ? ? 174 TYR K CE1 1 +ATOM 21236 C CE2 . TYR K 1 175 ? 32.932 124.505 75.950 1.00 17.47 ? ? ? ? ? ? 174 TYR K CE2 1 +ATOM 21237 C CZ . TYR K 1 175 ? 31.719 125.012 75.602 1.00 24.87 ? ? ? ? ? ? 174 TYR K CZ 1 +ATOM 21238 O OH . TYR K 1 175 ? 30.796 124.162 74.991 1.00 19.69 ? ? ? ? ? ? 174 TYR K OH 1 +ATOM 21239 N N . HIS K 1 176 ? 36.891 129.653 77.978 1.00 21.74 ? ? ? ? ? ? 175 HIS K N 1 +ATOM 21240 C CA . HIS K 1 176 ? 37.486 130.581 78.947 1.00 22.71 ? ? ? ? ? ? 175 HIS K CA 1 +ATOM 21241 C C . HIS K 1 176 ? 38.919 130.979 78.570 1.00 23.32 ? ? ? ? ? ? 175 HIS K C 1 +ATOM 21242 O O . HIS K 1 176 ? 39.860 130.570 79.231 1.00 23.77 ? ? ? ? ? ? 175 HIS K O 1 +ATOM 21243 C CB . HIS K 1 176 ? 37.509 129.979 80.358 1.00 22.79 ? ? ? ? ? ? 175 HIS K CB 1 +ATOM 21244 C CG . HIS K 1 176 ? 36.152 129.749 80.917 1.00 23.93 ? ? ? ? ? ? 175 HIS K CG 1 +ATOM 21245 N ND1 . HIS K 1 176 ? 35.382 130.768 81.437 1.00 20.26 ? ? ? ? ? ? 175 HIS K ND1 1 +ATOM 21246 C CD2 . HIS K 1 176 ? 35.397 128.627 80.979 1.00 23.26 ? ? ? ? ? ? 175 HIS K CD2 1 +ATOM 21247 C CE1 . HIS K 1 176 ? 34.208 130.282 81.799 1.00 29.64 ? ? ? ? ? ? 175 HIS K CE1 1 +ATOM 21248 N NE2 . HIS K 1 176 ? 34.189 128.987 81.526 1.00 26.94 ? ? ? ? ? ? 175 HIS K NE2 1 +ATOM 21249 N N . PRO K 1 177 ? 39.074 131.815 77.537 1.00 25.41 ? ? ? ? ? ? 176 PRO K N 1 +ATOM 21250 C CA . PRO K 1 177 ? 40.436 132.174 77.104 1.00 26.60 ? ? ? ? ? ? 176 PRO K CA 1 +ATOM 21251 C C . PRO K 1 177 ? 41.240 132.923 78.182 1.00 25.87 ? ? ? ? ? ? 176 PRO K C 1 +ATOM 21252 O O . PRO K 1 177 ? 42.493 132.865 78.203 1.00 27.61 ? ? ? ? ? ? 176 PRO K O 1 +ATOM 21253 C CB . PRO K 1 177 ? 40.180 133.048 75.854 1.00 27.04 ? ? ? ? ? ? 176 PRO K CB 1 +ATOM 21254 C CG . PRO K 1 177 ? 38.800 133.522 76.006 1.00 24.97 ? ? ? ? ? ? 176 PRO K CG 1 +ATOM 21255 C CD . PRO K 1 177 ? 38.047 132.460 76.700 1.00 25.37 ? ? ? ? ? ? 176 PRO K CD 1 +ATOM 21256 N N . GLU K 1 178 ? 40.519 133.587 79.075 1.00 27.22 ? ? ? ? ? ? 177 GLU K N 1 +ATOM 21257 C CA . GLU K 1 178 ? 41.107 134.297 80.188 1.00 27.41 ? ? ? ? ? ? 177 GLU K CA 1 +ATOM 21258 C C . GLU K 1 178 ? 41.743 133.392 81.251 1.00 27.48 ? ? ? ? ? ? 177 GLU K C 1 +ATOM 21259 O O . GLU K 1 178 ? 42.539 133.882 82.079 1.00 27.08 ? ? ? ? ? ? 177 GLU K O 1 +ATOM 21260 C CB . GLU K 1 178 ? 40.035 135.143 80.859 1.00 30.56 ? ? ? ? ? ? 177 GLU K CB 1 +ATOM 21261 C CG . GLU K 1 178 ? 39.043 134.363 81.766 1.00 31.56 ? ? ? ? ? ? 177 GLU K CG 1 +ATOM 21262 C CD . GLU K 1 178 ? 37.833 133.781 81.049 1.00 35.15 ? ? ? ? ? ? 177 GLU K CD 1 +ATOM 21263 O OE1 . GLU K 1 178 ? 37.793 133.799 79.786 1.00 32.66 ? ? ? ? ? ? 177 GLU K OE1 1 +ATOM 21264 O OE2 . GLU K 1 178 ? 36.909 133.320 81.784 1.00 35.92 ? ? ? ? ? ? 177 GLU K OE2 1 +ATOM 21265 N N . LEU K 1 179 ? 41.390 132.097 81.254 1.00 26.62 ? ? ? ? ? ? 178 LEU K N 1 +ATOM 21266 C CA . LEU K 1 179 ? 41.914 131.138 82.249 1.00 25.88 ? ? ? ? ? ? 178 LEU K CA 1 +ATOM 21267 C C . LEU K 1 179 ? 43.144 130.357 81.788 1.00 26.65 ? ? ? ? ? ? 178 LEU K C 1 +ATOM 21268 O O . LEU K 1 179 ? 43.714 129.592 82.560 1.00 28.52 ? ? ? ? ? ? 178 LEU K O 1 +ATOM 21269 C CB . LEU K 1 179 ? 40.830 130.149 82.683 1.00 25.25 ? ? ? ? ? ? 178 LEU K CB 1 +ATOM 21270 C CG . LEU K 1 179 ? 39.618 130.608 83.485 1.00 26.07 ? ? ? ? ? ? 178 LEU K CG 1 +ATOM 21271 C CD1 . LEU K 1 179 ? 38.896 129.344 83.926 1.00 23.61 ? ? ? ? ? ? 178 LEU K CD1 1 +ATOM 21272 C CD2 . LEU K 1 179 ? 39.915 131.508 84.705 1.00 26.84 ? ? ? ? ? ? 178 LEU K CD2 1 +ATOM 21273 N N . VAL K 1 180 ? 43.555 130.525 80.539 1.00 27.18 ? ? ? ? ? ? 179 VAL K N 1 +ATOM 21274 C CA . VAL K 1 180 ? 44.679 129.762 80.004 1.00 26.76 ? ? ? ? ? ? 179 VAL K CA 1 +ATOM 21275 C C . VAL K 1 180 ? 45.575 130.692 79.212 1.00 28.28 ? ? ? ? ? ? 179 VAL K C 1 +ATOM 21276 O O . VAL K 1 180 ? 45.085 131.509 78.431 1.00 28.63 ? ? ? ? ? ? 179 VAL K O 1 +ATOM 21277 C CB . VAL K 1 180 ? 44.233 128.512 79.153 1.00 26.80 ? ? ? ? ? ? 179 VAL K CB 1 +ATOM 21278 C CG1 . VAL K 1 180 ? 43.148 128.841 78.132 1.00 25.98 ? ? ? ? ? ? 179 VAL K CG1 1 +ATOM 21279 C CG2 . VAL K 1 180 ? 45.445 127.858 78.459 1.00 28.51 ? ? ? ? ? ? 179 VAL K CG2 1 +ATOM 21280 N N . ASN K 1 181 ? 46.886 130.582 79.455 1.00 29.68 ? ? ? ? ? ? 180 ASN K N 1 +ATOM 21281 C CA . ASN K 1 181 ? 47.890 131.246 78.643 1.00 31.00 ? ? ? ? ? ? 180 ASN K CA 1 +ATOM 21282 C C . ASN K 1 181 ? 48.802 130.185 78.056 1.00 27.68 ? ? ? ? ? ? 180 ASN K C 1 +ATOM 21283 O O . ASN K 1 181 ? 49.723 129.723 78.714 1.00 26.80 ? ? ? ? ? ? 180 ASN K O 1 +ATOM 21284 C CB . ASN K 1 181 ? 48.653 132.298 79.475 1.00 34.54 ? ? ? ? ? ? 180 ASN K CB 1 +ATOM 21285 C CG . ASN K 1 181 ? 49.893 132.859 78.757 1.00 47.62 ? ? ? ? ? ? 180 ASN K CG 1 +ATOM 21286 O OD1 . ASN K 1 181 ? 49.995 132.868 77.513 1.00 59.43 ? ? ? ? ? ? 180 ASN K OD1 1 +ATOM 21287 N ND2 . ASN K 1 181 ? 50.848 133.333 79.554 1.00 59.41 ? ? ? ? ? ? 180 ASN K ND2 1 +ATOM 21288 N N . LEU K 1 182 ? 48.551 129.849 76.786 1.00 27.08 ? ? ? ? ? ? 181 LEU K N 1 +ATOM 21289 C CA . LEU K 1 182 ? 49.206 128.747 76.088 1.00 27.04 ? ? ? ? ? ? 181 LEU K CA 1 +ATOM 21290 C C . LEU K 1 182 ? 50.736 128.843 76.041 1.00 27.07 ? ? ? ? ? ? 181 LEU K C 1 +ATOM 21291 O O . LEU K 1 182 ? 51.425 127.829 76.023 1.00 26.91 ? ? ? ? ? ? 181 LEU K O 1 +ATOM 21292 C CB . LEU K 1 182 ? 48.587 128.618 74.671 1.00 29.37 ? ? ? ? ? ? 181 LEU K CB 1 +ATOM 21293 C CG . LEU K 1 182 ? 49.109 127.508 73.742 1.00 28.98 ? ? ? ? ? ? 181 LEU K CG 1 +ATOM 21294 C CD1 . LEU K 1 182 ? 48.986 126.135 74.409 1.00 29.16 ? ? ? ? ? ? 181 LEU K CD1 1 +ATOM 21295 C CD2 . LEU K 1 182 ? 48.369 127.558 72.430 1.00 27.55 ? ? ? ? ? ? 181 LEU K CD2 1 +ATOM 21296 N N . ALA K 1 183 ? 51.269 130.059 76.068 1.00 28.04 ? ? ? ? ? ? 182 ALA K N 1 +ATOM 21297 C CA . ALA K 1 183 ? 52.717 130.272 76.115 1.00 28.94 ? ? ? ? ? ? 182 ALA K CA 1 +ATOM 21298 C C . ALA K 1 183 ? 53.402 129.619 77.319 1.00 30.08 ? ? ? ? ? ? 182 ALA K C 1 +ATOM 21299 O O . ALA K 1 183 ? 54.601 129.284 77.241 1.00 30.57 ? ? ? ? ? ? 182 ALA K O 1 +ATOM 21300 C CB . ALA K 1 183 ? 53.029 131.769 76.096 1.00 30.80 ? ? ? ? ? ? 182 ALA K CB 1 +ATOM 21301 N N . GLU K 1 184 ? 52.653 129.431 78.417 1.00 30.76 ? ? ? ? ? ? 183 GLU K N 1 +ATOM 21302 C CA . GLU K 1 184 ? 53.177 128.809 79.642 1.00 31.54 ? ? ? ? ? ? 183 GLU K CA 1 +ATOM 21303 C C . GLU K 1 184 ? 53.230 127.279 79.606 1.00 28.02 ? ? ? ? ? ? 183 GLU K C 1 +ATOM 21304 O O . GLU K 1 184 ? 53.876 126.672 80.450 1.00 27.55 ? ? ? ? ? ? 183 GLU K O 1 +ATOM 21305 C CB . GLU K 1 184 ? 52.348 129.249 80.852 1.00 32.13 ? ? ? ? ? ? 183 GLU K CB 1 +ATOM 21306 C CG . GLU K 1 184 ? 52.369 130.765 81.119 1.00 35.80 ? ? ? ? ? ? 183 GLU K CG 1 +ATOM 21307 C CD . GLU K 1 184 ? 51.221 131.228 82.042 1.00 40.39 ? ? ? ? ? ? 183 GLU K CD 1 +ATOM 21308 O OE1 . GLU K 1 184 ? 50.593 130.341 82.697 1.00 46.16 ? ? ? ? ? ? 183 GLU K OE1 1 +ATOM 21309 O OE2 . GLU K 1 184 ? 50.940 132.467 82.100 1.00 43.97 ? ? ? ? ? ? 183 GLU K OE2 1 +ATOM 21310 N N . ALA K 1 185 ? 52.557 126.648 78.641 1.00 26.98 ? ? ? ? ? ? 184 ALA K N 1 +ATOM 21311 C CA . ALA K 1 185 ? 52.505 125.170 78.565 1.00 25.63 ? ? ? ? ? ? 184 ALA K CA 1 +ATOM 21312 C C . ALA K 1 185 ? 53.866 124.593 78.300 1.00 26.49 ? ? ? ? ? ? 184 ALA K C 1 +ATOM 21313 O O . ALA K 1 185 ? 54.644 125.150 77.533 1.00 27.45 ? ? ? ? ? ? 184 ALA K O 1 +ATOM 21314 C CB . ALA K 1 185 ? 51.531 124.701 77.477 1.00 24.61 ? ? ? ? ? ? 184 ALA K CB 1 +ATOM 21315 N N . GLY K 1 186 ? 54.161 123.479 78.964 1.00 26.32 ? ? ? ? ? ? 185 GLY K N 1 +ATOM 21316 C CA . GLY K 1 186 ? 55.284 122.638 78.592 1.00 25.03 ? ? ? ? ? ? 185 GLY K CA 1 +ATOM 21317 C C . GLY K 1 186 ? 54.872 121.597 77.555 1.00 25.35 ? ? ? ? ? ? 185 GLY K C 1 +ATOM 21318 O O . GLY K 1 186 ? 53.691 121.496 77.196 1.00 24.94 ? ? ? ? ? ? 185 GLY K O 1 +ATOM 21319 N N . ASP K 1 187 ? 55.838 120.797 77.119 1.00 26.21 ? ? ? ? ? ? 186 ASP K N 1 +ATOM 21320 C CA . ASP K 1 187 ? 55.657 119.844 76.012 1.00 30.56 ? ? ? ? ? ? 186 ASP K CA 1 +ATOM 21321 C C . ASP K 1 187 ? 54.724 118.650 76.288 1.00 27.52 ? ? ? ? ? ? 186 ASP K C 1 +ATOM 21322 O O . ASP K 1 187 ? 54.325 117.949 75.350 1.00 26.91 ? ? ? ? ? ? 186 ASP K O 1 +ATOM 21323 C CB . ASP K 1 187 ? 57.033 119.285 75.579 1.00 32.94 ? ? ? ? ? ? 186 ASP K CB 1 +ATOM 21324 C CG . ASP K 1 187 ? 57.900 120.317 74.805 1.00 44.22 ? ? ? ? ? ? 186 ASP K CG 1 +ATOM 21325 O OD1 . ASP K 1 187 ? 57.402 121.407 74.375 1.00 47.25 ? ? ? ? ? ? 186 ASP K OD1 1 +ATOM 21326 O OD2 . ASP K 1 187 ? 59.106 120.003 74.622 1.00 55.50 ? ? ? ? ? ? 186 ASP K OD2 1 +ATOM 21327 N N . GLY K 1 188 ? 54.403 118.405 77.564 1.00 27.33 ? ? ? ? ? ? 187 GLY K N 1 +ATOM 21328 C CA . GLY K 1 188 ? 53.606 117.239 77.949 1.00 26.86 ? ? ? ? ? ? 187 GLY K CA 1 +ATOM 21329 C C . GLY K 1 188 ? 54.242 115.899 77.562 1.00 27.16 ? ? ? ? ? ? 187 GLY K C 1 +ATOM 21330 O O . GLY K 1 188 ? 53.522 114.954 77.161 1.00 26.31 ? ? ? ? ? ? 187 GLY K O 1 +ATOM 21331 N N . GLU K 1 189 ? 55.566 115.796 77.666 1.00 27.96 ? ? ? ? ? ? 188 GLU K N 1 +ATOM 21332 C CA . GLU K 1 189 ? 56.244 114.559 77.262 1.00 30.66 ? ? ? ? ? ? 188 GLU K CA 1 +ATOM 21333 C C . GLU K 1 189 ? 55.903 113.474 78.294 1.00 30.76 ? ? ? ? ? ? 188 GLU K C 1 +ATOM 21334 O O . GLU K 1 189 ? 55.864 113.738 79.510 1.00 30.49 ? ? ? ? ? ? 188 GLU K O 1 +ATOM 21335 C CB . GLU K 1 189 ? 57.775 114.757 77.078 1.00 32.77 ? ? ? ? ? ? 188 GLU K CB 1 +ATOM 21336 N N . SER K 1 190 ? 55.621 112.274 77.797 1.00 31.96 ? ? ? ? ? ? 189 SER K N 1 +ATOM 21337 C CA . SER K 1 190 ? 55.259 111.120 78.625 1.00 32.85 ? ? ? ? ? ? 189 SER K CA 1 +ATOM 21338 C C . SER K 1 190 ? 56.198 109.940 78.359 1.00 33.65 ? ? ? ? ? ? 189 SER K C 1 +ATOM 21339 O O . SER K 1 190 ? 56.828 109.849 77.296 1.00 34.75 ? ? ? ? ? ? 189 SER K O 1 +ATOM 21340 C CB . SER K 1 190 ? 53.797 110.698 78.378 1.00 34.59 ? ? ? ? ? ? 189 SER K CB 1 +ATOM 21341 O OG . SER K 1 190 ? 53.541 110.370 77.006 1.00 38.75 ? ? ? ? ? ? 189 SER K OG 1 +ATOM 21342 N N . LYS K 1 191 ? 56.291 109.054 79.344 1.00 32.48 ? ? ? ? ? ? 190 LYS K N 1 +ATOM 21343 C CA . LYS K 1 191 ? 57.125 107.868 79.276 1.00 34.67 ? ? ? ? ? ? 190 LYS K CA 1 +ATOM 21344 C C . LYS K 1 191 ? 56.226 106.650 79.437 1.00 32.07 ? ? ? ? ? ? 190 LYS K C 1 +ATOM 21345 O O . LYS K 1 191 ? 55.337 106.640 80.291 1.00 31.11 ? ? ? ? ? ? 190 LYS K O 1 +ATOM 21346 C CB . LYS K 1 191 ? 58.187 107.913 80.380 1.00 35.43 ? ? ? ? ? ? 190 LYS K CB 1 +ATOM 21347 C CG . LYS K 1 191 ? 59.244 106.845 80.308 1.00 42.19 ? ? ? ? ? ? 190 LYS K CG 1 +ATOM 21348 C CD . LYS K 1 191 ? 60.241 106.983 81.464 1.00 44.82 ? ? ? ? ? ? 190 LYS K CD 1 +ATOM 21349 C CE . LYS K 1 191 ? 61.157 105.754 81.592 1.00 53.44 ? ? ? ? ? ? 190 LYS K CE 1 +ATOM 21350 N NZ . LYS K 1 191 ? 62.608 106.161 81.657 1.00 55.32 ? ? ? ? ? ? 190 LYS K NZ 1 +ATOM 21351 N N . PRO K 1 192 ? 56.441 105.622 78.605 1.00 31.19 ? ? ? ? ? ? 191 PRO K N 1 +ATOM 21352 C CA . PRO K 1 192 ? 55.669 104.386 78.738 1.00 29.92 ? ? ? ? ? ? 191 PRO K CA 1 +ATOM 21353 C C . PRO K 1 192 ? 56.184 103.486 79.881 1.00 27.43 ? ? ? ? ? ? 191 PRO K C 1 +ATOM 21354 O O . PRO K 1 192 ? 57.196 103.823 80.511 1.00 26.85 ? ? ? ? ? ? 191 PRO K O 1 +ATOM 21355 C CB . PRO K 1 192 ? 55.891 103.715 77.365 1.00 31.40 ? ? ? ? ? ? 191 PRO K CB 1 +ATOM 21356 C CG . PRO K 1 192 ? 57.289 104.095 76.992 1.00 30.28 ? ? ? ? ? ? 191 PRO K CG 1 +ATOM 21357 C CD . PRO K 1 192 ? 57.407 105.546 77.485 1.00 31.64 ? ? ? ? ? ? 191 PRO K CD 1 +ATOM 21358 N N . PHE K 1 193 ? 55.498 102.359 80.114 1.00 26.36 ? ? ? ? ? ? 192 PHE K N 1 +ATOM 21359 C CA . PHE K 1 193 ? 55.925 101.328 81.078 1.00 25.73 ? ? ? ? ? ? 192 PHE K CA 1 +ATOM 21360 C C . PHE K 1 193 ? 57.095 100.530 80.531 1.00 26.34 ? ? ? ? ? ? 192 PHE K C 1 +ATOM 21361 O O . PHE K 1 193 ? 57.244 100.414 79.306 1.00 26.26 ? ? ? ? ? ? 192 PHE K O 1 +ATOM 21362 C CB . PHE K 1 193 ? 54.812 100.306 81.373 1.00 25.13 ? ? ? ? ? ? 192 PHE K CB 1 +ATOM 21363 C CG . PHE K 1 193 ? 53.553 100.910 81.973 1.00 23.85 ? ? ? ? ? ? 192 PHE K CG 1 +ATOM 21364 C CD1 . PHE K 1 193 ? 53.603 101.580 83.171 1.00 23.20 ? ? ? ? ? ? 192 PHE K CD1 1 +ATOM 21365 C CD2 . PHE K 1 193 ? 52.336 100.784 81.328 1.00 21.98 ? ? ? ? ? ? 192 PHE K CD2 1 +ATOM 21366 C CE1 . PHE K 1 193 ? 52.467 102.128 83.733 1.00 24.28 ? ? ? ? ? ? 192 PHE K CE1 1 +ATOM 21367 C CE2 . PHE K 1 193 ? 51.200 101.320 81.872 1.00 26.85 ? ? ? ? ? ? 192 PHE K CE2 1 +ATOM 21368 C CZ . PHE K 1 193 ? 51.266 102.012 83.077 1.00 25.86 ? ? ? ? ? ? 192 PHE K CZ 1 +ATOM 21369 N N . ALA K 1 194 ? 57.878 99.931 81.437 1.00 26.31 ? ? ? ? ? ? 193 ALA K N 1 +ATOM 21370 C CA . ALA K 1 194 ? 58.920 98.961 81.051 1.00 27.37 ? ? ? ? ? ? 193 ALA K CA 1 +ATOM 21371 C C . ALA K 1 194 ? 58.366 97.572 80.800 1.00 28.04 ? ? ? ? ? ? 193 ALA K C 1 +ATOM 21372 O O . ALA K 1 194 ? 59.097 96.720 80.342 1.00 29.46 ? ? ? ? ? ? 193 ALA K O 1 +ATOM 21373 C CB . ALA K 1 194 ? 60.024 98.877 82.123 1.00 25.75 ? ? ? ? ? ? 193 ALA K CB 1 +ATOM 21374 N N . ILE K 1 195 ? 57.100 97.332 81.156 1.00 27.92 ? ? ? ? ? ? 194 ILE K N 1 +ATOM 21375 C CA . ILE K 1 195 ? 56.413 96.043 80.898 1.00 25.31 ? ? ? ? ? ? 194 ILE K CA 1 +ATOM 21376 C C . ILE K 1 195 ? 55.625 96.265 79.630 1.00 26.40 ? ? ? ? ? ? 194 ILE K C 1 +ATOM 21377 O O . ILE K 1 195 ? 54.655 97.009 79.625 1.00 26.86 ? ? ? ? ? ? 194 ILE K O 1 +ATOM 21378 C CB . ILE K 1 195 ? 55.500 95.620 82.076 1.00 25.71 ? ? ? ? ? ? 194 ILE K CB 1 +ATOM 21379 C CG1 . ILE K 1 195 ? 56.321 95.571 83.361 1.00 25.41 ? ? ? ? ? ? 194 ILE K CG1 1 +ATOM 21380 C CG2 . ILE K 1 195 ? 54.857 94.244 81.841 1.00 23.49 ? ? ? ? ? ? 194 ILE K CG2 1 +ATOM 21381 C CD1 . ILE K 1 195 ? 55.524 95.489 84.650 1.00 22.96 ? ? ? ? ? ? 194 ILE K CD1 1 +ATOM 21382 N N . ALA K 1 196 ? 56.097 95.656 78.546 1.00 25.72 ? ? ? ? ? ? 195 ALA K N 1 +ATOM 21383 C CA . ALA K 1 196 ? 55.602 95.897 77.194 1.00 25.18 ? ? ? ? ? ? 195 ALA K CA 1 +ATOM 21384 C C . ALA K 1 196 ? 54.106 95.551 77.044 1.00 24.77 ? ? ? ? ? ? 195 ALA K C 1 +ATOM 21385 O O . ALA K 1 196 ? 53.336 96.314 76.450 1.00 25.62 ? ? ? ? ? ? 195 ALA K O 1 +ATOM 21386 C CB . ALA K 1 196 ? 56.447 95.069 76.195 1.00 24.44 ? ? ? ? ? ? 195 ALA K CB 1 +ATOM 21387 N N . SER K 1 197 ? 53.710 94.410 77.606 1.00 24.26 ? ? ? ? ? ? 196 SER K N 1 +ATOM 21388 C CA . SER K 1 197 ? 52.321 93.970 77.550 1.00 23.91 ? ? ? ? ? ? 196 SER K CA 1 +ATOM 21389 C C . SER K 1 197 ? 51.377 95.006 78.148 1.00 23.71 ? ? ? ? ? ? 196 SER K C 1 +ATOM 21390 O O . SER K 1 197 ? 50.226 95.094 77.743 1.00 23.43 ? ? ? ? ? ? 196 SER K O 1 +ATOM 21391 C CB . SER K 1 197 ? 52.140 92.648 78.263 1.00 23.19 ? ? ? ? ? ? 196 SER K CB 1 +ATOM 21392 O OG . SER K 1 197 ? 53.041 91.685 77.750 1.00 26.81 ? ? ? ? ? ? 196 SER K OG 1 +ATOM 21393 N N . LEU K 1 198 ? 51.868 95.795 79.104 1.00 23.88 ? ? ? ? ? ? 197 LEU K N 1 +ATOM 21394 C CA . LEU K 1 198 ? 51.047 96.874 79.673 1.00 24.40 ? ? ? ? ? ? 197 LEU K CA 1 +ATOM 21395 C C . LEU K 1 198 ? 50.904 98.030 78.679 1.00 25.18 ? ? ? ? ? ? 197 LEU K C 1 +ATOM 21396 O O . LEU K 1 198 ? 49.824 98.596 78.569 1.00 26.32 ? ? ? ? ? ? 197 LEU K O 1 +ATOM 21397 C CB . LEU K 1 198 ? 51.588 97.355 81.030 1.00 22.36 ? ? ? ? ? ? 197 LEU K CB 1 +ATOM 21398 C CG . LEU K 1 198 ? 51.573 96.330 82.175 1.00 24.11 ? ? ? ? ? ? 197 LEU K CG 1 +ATOM 21399 C CD1 . LEU K 1 198 ? 51.901 96.978 83.534 1.00 17.95 ? ? ? ? ? ? 197 LEU K CD1 1 +ATOM 21400 C CD2 . LEU K 1 198 ? 50.249 95.584 82.242 1.00 17.77 ? ? ? ? ? ? 197 LEU K CD2 1 +ATOM 21401 N N . ASN K 1 199 ? 51.962 98.350 77.931 1.00 26.74 ? ? ? ? ? ? 198 ASN K N 1 +ATOM 21402 C CA . ASN K 1 199 ? 51.855 99.346 76.850 1.00 27.23 ? ? ? ? ? ? 198 ASN K CA 1 +ATOM 21403 C C . ASN K 1 199 ? 50.936 98.849 75.725 1.00 27.71 ? ? ? ? ? ? 198 ASN K C 1 +ATOM 21404 O O . ASN K 1 199 ? 50.223 99.630 75.112 1.00 27.56 ? ? ? ? ? ? 198 ASN K O 1 +ATOM 21405 C CB . ASN K 1 199 ? 53.229 99.699 76.286 1.00 28.03 ? ? ? ? ? ? 198 ASN K CB 1 +ATOM 21406 C CG . ASN K 1 199 ? 54.170 100.233 77.330 1.00 27.09 ? ? ? ? ? ? 198 ASN K CG 1 +ATOM 21407 O OD1 . ASN K 1 199 ? 53.766 100.938 78.233 1.00 27.36 ? ? ? ? ? ? 198 ASN K OD1 1 +ATOM 21408 N ND2 . ASN K 1 199 ? 55.435 99.898 77.205 1.00 27.23 ? ? ? ? ? ? 198 ASN K ND2 1 +ATOM 21409 N N . GLU K 1 200 ? 50.954 97.543 75.476 1.00 28.66 ? ? ? ? ? ? 199 GLU K N 1 +ATOM 21410 C CA . GLU K 1 200 ? 50.105 96.902 74.477 1.00 30.91 ? ? ? ? ? ? 199 GLU K CA 1 +ATOM 21411 C C . GLU K 1 200 ? 48.657 96.669 74.962 1.00 30.13 ? ? ? ? ? ? 199 GLU K C 1 +ATOM 21412 O O . GLU K 1 200 ? 47.816 96.195 74.207 1.00 29.48 ? ? ? ? ? ? 199 GLU K O 1 +ATOM 21413 C CB . GLU K 1 200 ? 50.732 95.564 74.071 1.00 31.76 ? ? ? ? ? ? 199 GLU K CB 1 +ATOM 21414 C CG . GLU K 1 200 ? 52.192 95.674 73.512 1.00 35.68 ? ? ? ? ? ? 199 GLU K CG 1 +ATOM 21415 C CD . GLU K 1 200 ? 53.013 94.365 73.617 1.00 38.10 ? ? ? ? ? ? 199 GLU K CD 1 +ATOM 21416 O OE1 . GLU K 1 200 ? 52.461 93.280 73.957 1.00 44.78 ? ? ? ? ? ? 199 GLU K OE1 1 +ATOM 21417 O OE2 . GLU K 1 200 ? 54.241 94.443 73.348 1.00 53.24 ? ? ? ? ? ? 199 GLU K OE2 1 +ATOM 21418 N N . LYS K 1 201 ? 48.395 96.983 76.230 1.00 30.17 ? ? ? ? ? ? 200 LYS K N 1 +ATOM 21419 C CA . LYS K 1 201 ? 47.056 96.959 76.824 1.00 30.26 ? ? ? ? ? ? 200 LYS K CA 1 +ATOM 21420 C C . LYS K 1 201 ? 46.489 95.553 76.997 1.00 27.74 ? ? ? ? ? ? 200 LYS K C 1 +ATOM 21421 O O . LYS K 1 201 ? 45.269 95.344 77.004 1.00 27.96 ? ? ? ? ? ? 200 LYS K O 1 +ATOM 21422 C CB . LYS K 1 201 ? 46.085 97.898 76.083 1.00 32.22 ? ? ? ? ? ? 200 LYS K CB 1 +ATOM 21423 C CG . LYS K 1 201 ? 46.476 99.381 76.235 1.00 35.64 ? ? ? ? ? ? 200 LYS K CG 1 +ATOM 21424 C CD . LYS K 1 201 ? 45.538 100.320 75.492 1.00 40.27 ? ? ? ? ? ? 200 LYS K CD 1 +ATOM 21425 C CE . LYS K 1 201 ? 45.840 101.798 75.830 1.00 49.04 ? ? ? ? ? ? 200 LYS K CE 1 +ATOM 21426 N NZ . LYS K 1 201 ? 47.301 102.097 75.902 1.00 52.82 ? ? ? ? ? ? 200 LYS K NZ 1 +ATOM 21427 N N . VAL K 1 202 ? 47.390 94.601 77.207 1.00 25.23 ? ? ? ? ? ? 201 VAL K N 1 +ATOM 21428 C CA . VAL K 1 202 ? 47.021 93.234 77.555 1.00 24.27 ? ? ? ? ? ? 201 VAL K CA 1 +ATOM 21429 C C . VAL K 1 202 ? 46.353 93.236 78.932 1.00 23.70 ? ? ? ? ? ? 201 VAL K C 1 +ATOM 21430 O O . VAL K 1 202 ? 45.312 92.603 79.149 1.00 22.97 ? ? ? ? ? ? 201 VAL K O 1 +ATOM 21431 C CB . VAL K 1 202 ? 48.268 92.343 77.468 1.00 24.25 ? ? ? ? ? ? 201 VAL K CB 1 +ATOM 21432 C CG1 . VAL K 1 202 ? 48.048 90.939 78.076 1.00 24.47 ? ? ? ? ? ? 201 VAL K CG1 1 +ATOM 21433 C CG2 . VAL K 1 202 ? 48.668 92.250 75.996 1.00 24.17 ? ? ? ? ? ? 201 VAL K CG2 1 +ATOM 21434 N N . ALA K 1 203 ? 46.936 94.013 79.838 1.00 22.84 ? ? ? ? ? ? 202 ALA K N 1 +ATOM 21435 C CA . ALA K 1 203 ? 46.361 94.280 81.158 1.00 21.08 ? ? ? ? ? ? 202 ALA K CA 1 +ATOM 21436 C C . ALA K 1 203 ? 46.486 95.778 81.416 1.00 21.92 ? ? ? ? ? ? 202 ALA K C 1 +ATOM 21437 O O . ALA K 1 203 ? 47.215 96.477 80.710 1.00 22.42 ? ? ? ? ? ? 202 ALA K O 1 +ATOM 21438 C CB . ALA K 1 203 ? 47.065 93.482 82.197 1.00 17.78 ? ? ? ? ? ? 202 ALA K CB 1 +ATOM 21439 N N . TRP K 1 204 ? 45.748 96.262 82.413 1.00 22.71 ? ? ? ? ? ? 203 TRP K N 1 +ATOM 21440 C CA . TRP K 1 204 ? 45.770 97.670 82.855 1.00 20.86 ? ? ? ? ? ? 203 TRP K CA 1 +ATOM 21441 C C . TRP K 1 204 ? 46.389 97.858 84.242 1.00 20.17 ? ? ? ? ? ? 203 TRP K C 1 +ATOM 21442 O O . TRP K 1 204 ? 46.109 97.108 85.178 1.00 18.61 ? ? ? ? ? ? 203 TRP K O 1 +ATOM 21443 C CB . TRP K 1 204 ? 44.350 98.220 82.869 1.00 21.41 ? ? ? ? ? ? 203 TRP K CB 1 +ATOM 21444 C CG . TRP K 1 204 ? 44.235 99.650 83.265 1.00 19.79 ? ? ? ? ? ? 203 TRP K CG 1 +ATOM 21445 C CD1 . TRP K 1 204 ? 44.267 100.733 82.441 1.00 23.88 ? ? ? ? ? ? 203 TRP K CD1 1 +ATOM 21446 C CD2 . TRP K 1 204 ? 44.024 100.163 84.592 1.00 17.81 ? ? ? ? ? ? 203 TRP K CD2 1 +ATOM 21447 N NE1 . TRP K 1 204 ? 44.096 101.893 83.173 1.00 23.41 ? ? ? ? ? ? 203 TRP K NE1 1 +ATOM 21448 C CE2 . TRP K 1 204 ? 43.959 101.570 84.493 1.00 23.11 ? ? ? ? ? ? 203 TRP K CE2 1 +ATOM 21449 C CE3 . TRP K 1 204 ? 43.915 99.569 85.854 1.00 20.85 ? ? ? ? ? ? 203 TRP K CE3 1 +ATOM 21450 C CZ2 . TRP K 1 204 ? 43.781 102.392 85.608 1.00 24.61 ? ? ? ? ? ? 203 TRP K CZ2 1 +ATOM 21451 C CZ3 . TRP K 1 204 ? 43.746 100.381 86.954 1.00 22.69 ? ? ? ? ? ? 203 TRP K CZ3 1 +ATOM 21452 C CH2 . TRP K 1 204 ? 43.673 101.775 86.827 1.00 22.64 ? ? ? ? ? ? 203 TRP K CH2 1 +ATOM 21453 N N . VAL K 1 205 ? 47.245 98.875 84.320 1.00 19.82 ? ? ? ? ? ? 204 VAL K N 1 +ATOM 21454 C CA . VAL K 1 205 ? 47.870 99.392 85.521 1.00 20.45 ? ? ? ? ? ? 204 VAL K CA 1 +ATOM 21455 C C . VAL K 1 205 ? 47.789 100.915 85.357 1.00 21.64 ? ? ? ? ? ? 204 VAL K C 1 +ATOM 21456 O O . VAL K 1 205 ? 47.883 101.418 84.241 1.00 21.57 ? ? ? ? ? ? 204 VAL K O 1 +ATOM 21457 C CB . VAL K 1 205 ? 49.336 98.900 85.663 1.00 22.05 ? ? ? ? ? ? 204 VAL K CB 1 +ATOM 21458 C CG1 . VAL K 1 205 ? 50.117 99.664 86.782 1.00 21.12 ? ? ? ? ? ? 204 VAL K CG1 1 +ATOM 21459 C CG2 . VAL K 1 205 ? 49.332 97.398 85.932 1.00 21.57 ? ? ? ? ? ? 204 VAL K CG2 1 +ATOM 21460 N N . PRO K 1 206 ? 47.557 101.644 86.447 1.00 21.18 ? ? ? ? ? ? 205 PRO K N 1 +ATOM 21461 C CA . PRO K 1 206 ? 47.540 103.111 86.311 1.00 22.71 ? ? ? ? ? ? 205 PRO K CA 1 +ATOM 21462 C C . PRO K 1 206 ? 48.940 103.696 86.012 1.00 22.90 ? ? ? ? ? ? 205 PRO K C 1 +ATOM 21463 O O . PRO K 1 206 ? 49.958 103.177 86.462 1.00 23.61 ? ? ? ? ? ? 205 PRO K O 1 +ATOM 21464 C CB . PRO K 1 206 ? 47.019 103.592 87.674 1.00 22.46 ? ? ? ? ? ? 205 PRO K CB 1 +ATOM 21465 C CG . PRO K 1 206 ? 47.459 102.487 88.634 1.00 21.96 ? ? ? ? ? ? 205 PRO K CG 1 +ATOM 21466 C CD . PRO K 1 206 ? 47.303 101.205 87.835 1.00 22.68 ? ? ? ? ? ? 205 PRO K CD 1 +ATOM 21467 N N . ARG K 1 207 ? 48.981 104.723 85.184 1.00 23.96 ? ? ? ? ? ? 206 ARG K N 1 +ATOM 21468 C CA . ARG K 1 207 ? 50.218 105.424 84.865 1.00 25.16 ? ? ? ? ? ? 206 ARG K CA 1 +ATOM 21469 C C . ARG K 1 207 ? 50.642 106.064 86.148 1.00 22.83 ? ? ? ? ? ? 206 ARG K C 1 +ATOM 21470 O O . ARG K 1 207 ? 49.765 106.561 86.869 1.00 22.05 ? ? ? ? ? ? 206 ARG K O 1 +ATOM 21471 C CB . ARG K 1 207 ? 49.948 106.493 83.798 1.00 25.60 ? ? ? ? ? ? 206 ARG K CB 1 +ATOM 21472 C CG . ARG K 1 207 ? 51.147 107.380 83.445 1.00 30.21 ? ? ? ? ? ? 206 ARG K CG 1 +ATOM 21473 C CD . ARG K 1 207 ? 50.761 108.605 82.613 1.00 33.17 ? ? ? ? ? ? 206 ARG K CD 1 +ATOM 21474 N NE . ARG K 1 207 ? 49.954 108.303 81.413 1.00 40.22 ? ? ? ? ? ? 206 ARG K NE 1 +ATOM 21475 C CZ . ARG K 1 207 ? 50.429 107.979 80.201 1.00 47.79 ? ? ? ? ? ? 206 ARG K CZ 1 +ATOM 21476 N NH1 . ARG K 1 207 ? 51.740 107.868 79.962 1.00 44.98 ? ? ? ? ? ? 206 ARG K NH1 1 +ATOM 21477 N NH2 . ARG K 1 207 ? 49.569 107.756 79.207 1.00 47.83 ? ? ? ? ? ? 206 ARG K NH2 1 +ATOM 21478 N N . HIS K 1 208 ? 51.951 106.016 86.456 1.00 22.66 ? ? ? ? ? ? 207 HIS K N 1 +ATOM 21479 C CA . HIS K 1 208 ? 52.541 106.717 87.593 1.00 22.72 ? ? ? ? ? ? 207 HIS K CA 1 +ATOM 21480 C C . HIS K 1 208 ? 53.103 108.059 87.144 1.00 24.40 ? ? ? ? ? ? 207 HIS K C 1 +ATOM 21481 O O . HIS K 1 208 ? 54.056 108.108 86.356 1.00 23.82 ? ? ? ? ? ? 207 HIS K O 1 +ATOM 21482 C CB . HIS K 1 208 ? 53.642 105.901 88.250 1.00 23.00 ? ? ? ? ? ? 207 HIS K CB 1 +ATOM 21483 C CG . HIS K 1 208 ? 53.140 104.691 88.990 1.00 21.37 ? ? ? ? ? ? 207 HIS K CG 1 +ATOM 21484 N ND1 . HIS K 1 208 ? 53.739 104.214 90.137 1.00 26.23 ? ? ? ? ? ? 207 HIS K ND1 1 +ATOM 21485 C CD2 . HIS K 1 208 ? 52.097 103.865 88.740 1.00 22.97 ? ? ? ? ? ? 207 HIS K CD2 1 +ATOM 21486 C CE1 . HIS K 1 208 ? 53.103 103.126 90.542 1.00 24.44 ? ? ? ? ? ? 207 HIS K CE1 1 +ATOM 21487 N NE2 . HIS K 1 208 ? 52.103 102.890 89.710 1.00 22.91 ? ? ? ? ? ? 207 HIS K NE2 1 +ATOM 21488 N N . TRP K 1 209 ? 52.495 109.136 87.640 1.00 24.18 ? ? ? ? ? ? 208 TRP K N 1 +ATOM 21489 C CA . TRP K 1 209 ? 52.772 110.490 87.141 1.00 24.57 ? ? ? ? ? ? 208 TRP K CA 1 +ATOM 21490 C C . TRP K 1 209 ? 54.198 110.958 87.415 1.00 25.66 ? ? ? ? ? ? 208 TRP K C 1 +ATOM 21491 O O . TRP K 1 209 ? 54.769 111.711 86.620 1.00 25.57 ? ? ? ? ? ? 208 TRP K O 1 +ATOM 21492 C CB . TRP K 1 209 ? 51.800 111.505 87.756 1.00 23.81 ? ? ? ? ? ? 208 TRP K CB 1 +ATOM 21493 C CG . TRP K 1 209 ? 50.901 112.154 86.759 1.00 25.31 ? ? ? ? ? ? 208 TRP K CG 1 +ATOM 21494 C CD1 . TRP K 1 209 ? 50.935 113.463 86.354 1.00 24.18 ? ? ? ? ? ? 208 TRP K CD1 1 +ATOM 21495 C CD2 . TRP K 1 209 ? 49.853 111.528 86.019 1.00 25.01 ? ? ? ? ? ? 208 TRP K CD2 1 +ATOM 21496 N NE1 . TRP K 1 209 ? 49.951 113.690 85.423 1.00 27.37 ? ? ? ? ? ? 208 TRP K NE1 1 +ATOM 21497 C CE2 . TRP K 1 209 ? 49.284 112.518 85.182 1.00 27.43 ? ? ? ? ? ? 208 TRP K CE2 1 +ATOM 21498 C CE3 . TRP K 1 209 ? 49.320 110.225 85.992 1.00 27.68 ? ? ? ? ? ? 208 TRP K CE3 1 +ATOM 21499 C CZ2 . TRP K 1 209 ? 48.195 112.254 84.329 1.00 26.23 ? ? ? ? ? ? 208 TRP K CZ2 1 +ATOM 21500 C CZ3 . TRP K 1 209 ? 48.246 109.964 85.132 1.00 28.55 ? ? ? ? ? ? 208 TRP K CZ3 1 +ATOM 21501 C CH2 . TRP K 1 209 ? 47.713 110.970 84.297 1.00 26.78 ? ? ? ? ? ? 208 TRP K CH2 1 +ATOM 21502 N N . ASP K 1 210 ? 54.738 110.530 88.558 1.00 26.02 ? ? ? ? ? ? 209 ASP K N 1 +ATOM 21503 C CA . ASP K 1 210 ? 56.121 110.823 88.935 1.00 28.17 ? ? ? ? ? ? 209 ASP K CA 1 +ATOM 21504 C C . ASP K 1 210 ? 57.145 110.171 88.008 1.00 29.31 ? ? ? ? ? ? 209 ASP K C 1 +ATOM 21505 O O . ASP K 1 210 ? 58.234 110.697 87.840 1.00 29.74 ? ? ? ? ? ? 209 ASP K O 1 +ATOM 21506 C CB . ASP K 1 210 ? 56.410 110.453 90.411 1.00 28.49 ? ? ? ? ? ? 209 ASP K CB 1 +ATOM 21507 C CG . ASP K 1 210 ? 56.196 108.965 90.732 1.00 30.26 ? ? ? ? ? ? 209 ASP K CG 1 +ATOM 21508 O OD1 . ASP K 1 210 ? 55.179 108.390 90.304 1.00 32.98 ? ? ? ? ? ? 209 ASP K OD1 1 +ATOM 21509 O OD2 . ASP K 1 210 ? 57.021 108.356 91.464 1.00 35.76 ? ? ? ? ? ? 209 ASP K OD2 1 +ATOM 21510 N N . LYS K 1 211 ? 56.795 109.044 87.392 1.00 29.92 ? ? ? ? ? ? 210 LYS K N 1 +ATOM 21511 C CA . LYS K 1 211 ? 57.703 108.353 86.463 1.00 29.96 ? ? ? ? ? ? 210 LYS K CA 1 +ATOM 21512 C C . LYS K 1 211 ? 57.417 108.670 85.009 1.00 29.86 ? ? ? ? ? ? 210 LYS K C 1 +ATOM 21513 O O . LYS K 1 211 ? 58.304 108.587 84.175 1.00 31.63 ? ? ? ? ? ? 210 LYS K O 1 +ATOM 21514 C CB . LYS K 1 211 ? 57.581 106.847 86.641 1.00 31.07 ? ? ? ? ? ? 210 LYS K CB 1 +ATOM 21515 C CG . LYS K 1 211 ? 57.839 106.337 88.064 1.00 36.29 ? ? ? ? ? ? 210 LYS K CG 1 +ATOM 21516 C CD . LYS K 1 211 ? 59.268 106.641 88.533 1.00 40.60 ? ? ? ? ? ? 210 LYS K CD 1 +ATOM 21517 C CE . LYS K 1 211 ? 59.583 105.931 89.850 1.00 46.04 ? ? ? ? ? ? 210 LYS K CE 1 +ATOM 21518 N NZ . LYS K 1 211 ? 59.025 104.543 89.896 1.00 50.63 ? ? ? ? ? ? 210 LYS K NZ 1 +ATOM 21519 N N . ALA K 1 212 ? 56.163 109.009 84.718 1.00 29.35 ? ? ? ? ? ? 211 ALA K N 1 +ATOM 21520 C CA . ALA K 1 212 ? 55.630 109.052 83.378 1.00 28.93 ? ? ? ? ? ? 211 ALA K CA 1 +ATOM 21521 C C . ALA K 1 212 ? 55.575 110.443 82.795 1.00 30.62 ? ? ? ? ? ? 211 ALA K C 1 +ATOM 21522 O O . ALA K 1 212 ? 55.538 110.562 81.578 1.00 32.13 ? ? ? ? ? ? 211 ALA K O 1 +ATOM 21523 C CB . ALA K 1 212 ? 54.223 108.468 83.366 1.00 27.96 ? ? ? ? ? ? 211 ALA K CB 1 +ATOM 21524 N N . THR K 1 213 ? 55.519 111.486 83.627 1.00 30.67 ? ? ? ? ? ? 212 THR K N 1 +ATOM 21525 C CA . THR K 1 213 ? 55.332 112.860 83.127 1.00 32.40 ? ? ? ? ? ? 212 THR K CA 1 +ATOM 21526 C C . THR K 1 213 ? 56.377 113.808 83.756 1.00 32.42 ? ? ? ? ? ? 212 THR K C 1 +ATOM 21527 O O . THR K 1 213 ? 57.007 113.472 84.749 1.00 35.22 ? ? ? ? ? ? 212 THR K O 1 +ATOM 21528 C CB . THR K 1 213 ? 53.895 113.416 83.430 1.00 33.95 ? ? ? ? ? ? 212 THR K CB 1 +ATOM 21529 O OG1 . THR K 1 213 ? 53.840 113.891 84.782 1.00 37.79 ? ? ? ? ? ? 212 THR K OG1 1 +ATOM 21530 C CG2 . THR K 1 213 ? 52.832 112.365 83.228 1.00 30.31 ? ? ? ? ? ? 212 THR K CG2 1 +ATOM 21531 N N . VAL K 1 214 ? 56.542 114.979 83.155 1.00 32.90 ? ? ? ? ? ? 213 VAL K N 1 +ATOM 21532 C CA . VAL K 1 214 ? 57.574 115.966 83.508 1.00 33.26 ? ? ? ? ? ? 213 VAL K CA 1 +ATOM 21533 C C . VAL K 1 214 ? 56.883 117.207 84.068 1.00 31.46 ? ? ? ? ? ? 213 VAL K C 1 +ATOM 21534 O O . VAL K 1 214 ? 57.190 117.652 85.178 1.00 32.25 ? ? ? ? ? ? 213 VAL K O 1 +ATOM 21535 C CB . VAL K 1 214 ? 58.433 116.344 82.225 1.00 35.20 ? ? ? ? ? ? 213 VAL K CB 1 +ATOM 21536 C CG1 . VAL K 1 214 ? 59.641 117.194 82.579 1.00 38.14 ? ? ? ? ? ? 213 VAL K CG1 1 +ATOM 21537 C CG2 . VAL K 1 214 ? 58.892 115.081 81.471 1.00 37.37 ? ? ? ? ? ? 213 VAL K CG2 1 +ATOM 21538 N N . ASP K 1 215 ? 55.906 117.714 83.318 1.00 28.99 ? ? ? ? ? ? 214 ASP K N 1 +ATOM 21539 C CA . ASP K 1 215 ? 55.138 118.915 83.672 1.00 29.16 ? ? ? ? ? ? 214 ASP K CA 1 +ATOM 21540 C C . ASP K 1 215 ? 53.697 118.613 84.107 1.00 27.59 ? ? ? ? ? ? 214 ASP K C 1 +ATOM 21541 O O . ASP K 1 215 ? 52.882 119.531 84.272 1.00 25.92 ? ? ? ? ? ? 214 ASP K O 1 +ATOM 21542 C CB . ASP K 1 215 ? 55.132 119.873 82.469 1.00 30.07 ? ? ? ? ? ? 214 ASP K CB 1 +ATOM 21543 C CG . ASP K 1 215 ? 54.655 119.193 81.179 1.00 33.08 ? ? ? ? ? ? 214 ASP K CG 1 +ATOM 21544 O OD1 . ASP K 1 215 ? 53.872 118.207 81.270 1.00 35.76 ? ? ? ? ? ? 214 ASP K OD1 1 +ATOM 21545 O OD2 . ASP K 1 215 ? 55.075 119.640 80.086 1.00 35.55 ? ? ? ? ? ? 214 ASP K OD2 1 +ATOM 21546 N N . SER K 1 216 ? 53.404 117.315 84.286 1.00 26.38 ? ? ? ? ? ? 215 SER K N 1 +ATOM 21547 C CA . SER K 1 216 ? 52.101 116.787 84.710 1.00 25.62 ? ? ? ? ? ? 215 SER K CA 1 +ATOM 21548 C C . SER K 1 216 ? 51.103 116.633 83.568 1.00 25.53 ? ? ? ? ? ? 215 SER K C 1 +ATOM 21549 O O . SER K 1 216 ? 50.051 116.003 83.740 1.00 27.01 ? ? ? ? ? ? 215 SER K O 1 +ATOM 21550 C CB . SER K 1 216 ? 51.497 117.576 85.867 1.00 26.18 ? ? ? ? ? ? 215 SER K CB 1 +ATOM 21551 O OG . SER K 1 216 ? 50.575 118.535 85.389 1.00 29.98 ? ? ? ? ? ? 215 SER K OG 1 +ATOM 21552 N N . GLY K 1 217 ? 51.425 117.161 82.386 1.00 24.26 ? ? ? ? ? ? 216 GLY K N 1 +ATOM 21553 C CA . GLY K 1 217 ? 50.584 116.912 81.209 1.00 22.73 ? ? ? ? ? ? 216 GLY K CA 1 +ATOM 21554 C C . GLY K 1 217 ? 50.987 115.630 80.501 1.00 22.69 ? ? ? ? ? ? 216 GLY K C 1 +ATOM 21555 O O . GLY K 1 217 ? 52.115 115.159 80.659 1.00 22.34 ? ? ? ? ? ? 216 GLY K O 1 +ATOM 21556 N N . VAL K 1 218 ? 50.059 115.092 79.703 1.00 23.56 ? ? ? ? ? ? 217 VAL K N 1 +ATOM 21557 C CA . VAL K 1 218 ? 50.325 113.990 78.778 1.00 24.02 ? ? ? ? ? ? 217 VAL K CA 1 +ATOM 21558 C C . VAL K 1 218 ? 49.822 114.377 77.394 1.00 24.61 ? ? ? ? ? ? 217 VAL K C 1 +ATOM 21559 O O . VAL K 1 218 ? 48.623 114.275 77.110 1.00 24.50 ? ? ? ? ? ? 217 VAL K O 1 +ATOM 21560 C CB . VAL K 1 218 ? 49.631 112.688 79.166 1.00 25.02 ? ? ? ? ? ? 217 VAL K CB 1 +ATOM 21561 C CG1 . VAL K 1 218 ? 50.063 111.599 78.205 1.00 22.16 ? ? ? ? ? ? 217 VAL K CG1 1 +ATOM 21562 C CG2 . VAL K 1 218 ? 49.938 112.311 80.636 1.00 25.65 ? ? ? ? ? ? 217 VAL K CG2 1 +ATOM 21563 N N . GLY K 1 219 ? 50.745 114.818 76.536 1.00 25.37 ? ? ? ? ? ? 218 GLY K N 1 +ATOM 21564 C CA . GLY K 1 219 ? 50.419 115.273 75.174 1.00 25.80 ? ? ? ? ? ? 218 GLY K CA 1 +ATOM 21565 C C . GLY K 1 219 ? 50.822 116.721 74.968 1.00 26.50 ? ? ? ? ? ? 218 GLY K C 1 +ATOM 21566 O O . GLY K 1 219 ? 50.636 117.560 75.862 1.00 26.12 ? ? ? ? ? ? 218 GLY K O 1 +ATOM 21567 N N . ASN K 1 220 ? 51.376 117.017 73.794 1.00 27.38 ? ? ? ? ? ? 219 ASN K N 1 +ATOM 21568 C CA . ASN K 1 220 ? 51.798 118.384 73.463 1.00 26.52 ? ? ? ? ? ? 219 ASN K CA 1 +ATOM 21569 C C . ASN K 1 220 ? 50.584 119.218 73.077 1.00 24.35 ? ? ? ? ? ? 219 ASN K C 1 +ATOM 21570 O O . ASN K 1 220 ? 49.911 118.891 72.112 1.00 25.04 ? ? ? ? ? ? 219 ASN K O 1 +ATOM 21571 C CB . ASN K 1 220 ? 52.824 118.373 72.316 1.00 27.04 ? ? ? ? ? ? 219 ASN K CB 1 +ATOM 21572 C CG . ASN K 1 220 ? 53.704 119.609 72.310 1.00 30.59 ? ? ? ? ? ? 219 ASN K CG 1 +ATOM 21573 O OD1 . ASN K 1 220 ? 53.277 120.690 72.719 1.00 27.32 ? ? ? ? ? ? 219 ASN K OD1 1 +ATOM 21574 N ND2 . ASN K 1 220 ? 54.966 119.442 71.888 1.00 28.19 ? ? ? ? ? ? 219 ASN K ND2 1 +ATOM 21575 N N . PRO K 1 221 ? 50.277 120.278 73.860 1.00 23.83 ? ? ? ? ? ? 220 PRO K N 1 +ATOM 21576 C CA . PRO K 1 221 ? 49.144 121.168 73.619 1.00 25.06 ? ? ? ? ? ? 220 PRO K CA 1 +ATOM 21577 C C . PRO K 1 221 ? 49.443 122.382 72.733 1.00 25.99 ? ? ? ? ? ? 220 PRO K C 1 +ATOM 21578 O O . PRO K 1 221 ? 48.547 123.197 72.504 1.00 25.18 ? ? ? ? ? ? 220 PRO K O 1 +ATOM 21579 C CB . PRO K 1 221 ? 48.845 121.682 75.024 1.00 26.43 ? ? ? ? ? ? 220 PRO K CB 1 +ATOM 21580 C CG . PRO K 1 221 ? 50.174 121.770 75.652 1.00 22.71 ? ? ? ? ? ? 220 PRO K CG 1 +ATOM 21581 C CD . PRO K 1 221 ? 50.996 120.672 75.092 1.00 24.70 ? ? ? ? ? ? 220 PRO K CD 1 +ATOM 21582 N N . LYS K 1 222 ? 50.673 122.485 72.219 1.00 27.83 ? ? ? ? ? ? 221 LYS K N 1 +ATOM 21583 C CA A LYS K 1 222 ? 51.132 123.741 71.640 0.50 29.40 ? ? ? ? ? ? 221 LYS K CA 1 +ATOM 21584 C CA B LYS K 1 222 ? 51.173 123.724 71.583 0.50 29.01 ? ? ? ? ? ? 221 LYS K CA 1 +ATOM 21585 C C . LYS K 1 222 ? 50.390 124.196 70.371 1.00 27.24 ? ? ? ? ? ? 221 LYS K C 1 +ATOM 21586 O O . LYS K 1 222 ? 50.394 125.401 70.052 1.00 27.72 ? ? ? ? ? ? 221 LYS K O 1 +ATOM 21587 C CB A LYS K 1 222 ? 52.663 123.706 71.486 0.50 29.94 ? ? ? ? ? ? 221 LYS K CB 1 +ATOM 21588 C CB B LYS K 1 222 ? 52.662 123.594 71.193 0.50 29.54 ? ? ? ? ? ? 221 LYS K CB 1 +ATOM 21589 C CG A LYS K 1 222 ? 53.326 123.773 72.891 0.50 31.91 ? ? ? ? ? ? 221 LYS K CG 1 +ATOM 21590 C CG B LYS K 1 222 ? 53.638 124.478 72.021 0.50 34.11 ? ? ? ? ? ? 221 LYS K CG 1 +ATOM 21591 C CD A LYS K 1 222 ? 54.869 123.777 72.932 0.50 32.16 ? ? ? ? ? ? 221 LYS K CD 1 +ATOM 21592 C CD B LYS K 1 222 ? 53.349 124.506 73.554 0.50 33.41 ? ? ? ? ? ? 221 LYS K CD 1 +ATOM 21593 C CE A LYS K 1 222 ? 55.332 123.797 74.386 0.50 26.66 ? ? ? ? ? ? 221 LYS K CE 1 +ATOM 21594 C CE B LYS K 1 222 ? 52.867 125.873 74.054 0.50 28.74 ? ? ? ? ? ? 221 LYS K CE 1 +ATOM 21595 N NZ A LYS K 1 222 ? 56.781 123.986 74.564 0.50 24.54 ? ? ? ? ? ? 221 LYS K NZ 1 +ATOM 21596 N NZ B LYS K 1 222 ? 54.017 126.703 74.494 0.50 31.39 ? ? ? ? ? ? 221 LYS K NZ 1 +ATOM 21597 N N . LYS K 1 223 ? 49.732 123.267 69.678 1.00 26.95 ? ? ? ? ? ? 222 LYS K N 1 +ATOM 21598 C CA . LYS K 1 223 ? 48.959 123.611 68.481 1.00 26.57 ? ? ? ? ? ? 222 LYS K CA 1 +ATOM 21599 C C . LYS K 1 223 ? 47.504 123.941 68.776 1.00 25.48 ? ? ? ? ? ? 222 LYS K C 1 +ATOM 21600 O O . LYS K 1 223 ? 46.730 124.217 67.858 1.00 25.10 ? ? ? ? ? ? 222 LYS K O 1 +ATOM 21601 C CB . LYS K 1 223 ? 49.084 122.507 67.421 1.00 29.49 ? ? ? ? ? ? 222 LYS K CB 1 +ATOM 21602 C CG . LYS K 1 223 ? 50.555 122.236 67.000 1.00 35.43 ? ? ? ? ? ? 222 LYS K CG 1 +ATOM 21603 C CD . LYS K 1 223 ? 50.636 121.796 65.520 1.00 44.54 ? ? ? ? ? ? 222 LYS K CD 1 +ATOM 21604 C CE . LYS K 1 223 ? 52.089 121.677 64.973 1.00 49.87 ? ? ? ? ? ? 222 LYS K CE 1 +ATOM 21605 N NZ . LYS K 1 223 ? 52.136 121.577 63.439 1.00 52.06 ? ? ? ? ? ? 222 LYS K NZ 1 +ATOM 21606 N N . ALA K 1 224 ? 47.140 123.960 70.058 1.00 24.67 ? ? ? ? ? ? 223 ALA K N 1 +ATOM 21607 C CA . ALA K 1 224 ? 45.784 124.313 70.475 1.00 23.13 ? ? ? ? ? ? 223 ALA K CA 1 +ATOM 21608 C C . ALA K 1 224 ? 45.395 125.713 70.019 1.00 23.12 ? ? ? ? ? ? 223 ALA K C 1 +ATOM 21609 O O . ALA K 1 224 ? 46.220 126.624 70.020 1.00 22.77 ? ? ? ? ? ? 223 ALA K O 1 +ATOM 21610 C CB . ALA K 1 224 ? 45.646 124.190 72.049 1.00 22.38 ? ? ? ? ? ? 223 ALA K CB 1 +ATOM 21611 N N . THR K 1 225 ? 44.116 125.873 69.663 1.00 22.56 ? ? ? ? ? ? 224 THR K N 1 +ATOM 21612 C CA . THR K 1 225 ? 43.521 127.165 69.368 1.00 22.67 ? ? ? ? ? ? 224 THR K CA 1 +ATOM 21613 C C . THR K 1 225 ? 42.063 127.121 69.794 1.00 22.22 ? ? ? ? ? ? 224 THR K C 1 +ATOM 21614 O O . THR K 1 225 ? 41.449 126.030 69.814 1.00 22.49 ? ? ? ? ? ? 224 THR K O 1 +ATOM 21615 C CB . THR K 1 225 ? 43.530 127.474 67.853 1.00 25.15 ? ? ? ? ? ? 224 THR K CB 1 +ATOM 21616 O OG1 . THR K 1 225 ? 42.666 126.541 67.203 1.00 25.80 ? ? ? ? ? ? 224 THR K OG1 1 +ATOM 21617 C CG2 . THR K 1 225 ? 44.950 127.377 67.250 1.00 22.45 ? ? ? ? ? ? 224 THR K CG2 1 +ATOM 21618 N N . ALA K 1 226 ? 41.497 128.284 70.111 1.00 21.89 ? ? ? ? ? ? 225 ALA K N 1 +ATOM 21619 C CA . ALA K 1 226 ? 40.051 128.401 70.419 1.00 21.76 ? ? ? ? ? ? 225 ALA K CA 1 +ATOM 21620 C C . ALA K 1 226 ? 39.138 127.938 69.264 1.00 24.39 ? ? ? ? ? ? 225 ALA K C 1 +ATOM 21621 O O . ALA K 1 226 ? 38.018 127.413 69.496 1.00 24.36 ? ? ? ? ? ? 225 ALA K O 1 +ATOM 21622 C CB . ALA K 1 226 ? 39.704 129.854 70.820 1.00 21.40 ? ? ? ? ? ? 225 ALA K CB 1 +ATOM 21623 N N . GLU K 1 227 ? 39.605 128.136 68.021 1.00 26.29 ? ? ? ? ? ? 226 GLU K N 1 +ATOM 21624 C CA A GLU K 1 227 ? 38.840 127.781 66.843 0.50 26.52 ? ? ? ? ? ? 226 GLU K CA 1 +ATOM 21625 C CA B GLU K 1 227 ? 38.812 127.751 66.828 0.50 26.44 ? ? ? ? ? ? 226 GLU K CA 1 +ATOM 21626 C C . GLU K 1 227 ? 38.686 126.239 66.773 1.00 24.30 ? ? ? ? ? ? 226 GLU K C 1 +ATOM 21627 O O . GLU K 1 227 ? 37.593 125.714 66.506 1.00 23.85 ? ? ? ? ? ? 226 GLU K O 1 +ATOM 21628 C CB A GLU K 1 227 ? 39.545 128.369 65.596 0.50 26.95 ? ? ? ? ? ? 226 GLU K CB 1 +ATOM 21629 C CB B GLU K 1 227 ? 39.397 128.263 65.476 0.50 25.86 ? ? ? ? ? ? 226 GLU K CB 1 +ATOM 21630 C CG A GLU K 1 227 ? 39.560 129.942 65.494 0.50 32.17 ? ? ? ? ? ? 226 GLU K CG 1 +ATOM 21631 C CG B GLU K 1 227 ? 38.927 127.397 64.256 0.50 27.82 ? ? ? ? ? ? 226 GLU K CG 1 +ATOM 21632 C CD A GLU K 1 227 ? 40.329 130.699 66.624 0.50 34.81 ? ? ? ? ? ? 226 GLU K CD 1 +ATOM 21633 C CD B GLU K 1 227 ? 39.199 127.970 62.865 0.50 29.72 ? ? ? ? ? ? 226 GLU K CD 1 +ATOM 21634 O OE1 A GLU K 1 227 ? 41.417 130.257 67.073 0.50 18.65 ? ? ? ? ? ? 226 GLU K OE1 1 +ATOM 21635 O OE1 B GLU K 1 227 ? 39.754 129.074 62.705 0.50 27.09 ? ? ? ? ? ? 226 GLU K OE1 1 +ATOM 21636 O OE2 A GLU K 1 227 ? 39.826 131.760 67.064 0.50 33.01 ? ? ? ? ? ? 226 GLU K OE2 1 +ATOM 21637 O OE2 B GLU K 1 227 ? 38.828 127.275 61.903 0.50 41.99 ? ? ? ? ? ? 226 GLU K OE2 1 +ATOM 21638 N N . LYS K 1 228 ? 39.796 125.531 66.998 1.00 23.66 ? ? ? ? ? ? 227 LYS K N 1 +ATOM 21639 C CA . LYS K 1 228 ? 39.793 124.049 67.035 1.00 23.83 ? ? ? ? ? ? 227 LYS K CA 1 +ATOM 21640 C C . LYS K 1 228 ? 38.884 123.519 68.164 1.00 23.60 ? ? ? ? ? ? 227 LYS K C 1 +ATOM 21641 O O . LYS K 1 228 ? 38.246 122.480 68.012 1.00 24.19 ? ? ? ? ? ? 227 LYS K O 1 +ATOM 21642 C CB . LYS K 1 228 ? 41.218 123.497 67.247 1.00 25.58 ? ? ? ? ? ? 227 LYS K CB 1 +ATOM 21643 C CG . LYS K 1 228 ? 42.213 123.608 66.053 1.00 25.91 ? ? ? ? ? ? 227 LYS K CG 1 +ATOM 21644 C CD . LYS K 1 228 ? 43.615 123.259 66.498 1.00 26.32 ? ? ? ? ? ? 227 LYS K CD 1 +ATOM 21645 C CE . LYS K 1 228 ? 44.518 122.865 65.367 1.00 28.96 ? ? ? ? ? ? 227 LYS K CE 1 +ATOM 21646 N NZ . LYS K 1 228 ? 45.837 122.425 65.884 1.00 28.81 ? ? ? ? ? ? 227 LYS K NZ 1 +ATOM 21647 N N . GLY K 1 229 ? 38.839 124.232 69.296 1.00 23.67 ? ? ? ? ? ? 228 GLY K N 1 +ATOM 21648 C CA . GLY K 1 229 ? 37.990 123.874 70.416 1.00 23.01 ? ? ? ? ? ? 228 GLY K CA 1 +ATOM 21649 C C . GLY K 1 229 ? 36.520 124.061 70.119 1.00 24.01 ? ? ? ? ? ? 228 GLY K C 1 +ATOM 21650 O O . GLY K 1 229 ? 35.698 123.184 70.448 1.00 23.94 ? ? ? ? ? ? 228 GLY K O 1 +ATOM 21651 N N . GLU K 1 230 ? 36.181 125.193 69.499 1.00 24.95 ? ? ? ? ? ? 229 GLU K N 1 +ATOM 21652 C CA . GLU K 1 230 ? 34.781 125.472 69.132 1.00 26.98 ? ? ? ? ? ? 229 GLU K CA 1 +ATOM 21653 C C . GLU K 1 230 ? 34.194 124.442 68.150 1.00 25.49 ? ? ? ? ? ? 229 GLU K C 1 +ATOM 21654 O O . GLU K 1 230 ? 33.021 124.061 68.236 1.00 25.38 ? ? ? ? ? ? 229 GLU K O 1 +ATOM 21655 C CB . GLU K 1 230 ? 34.671 126.844 68.488 1.00 27.24 ? ? ? ? ? ? 229 GLU K CB 1 +ATOM 21656 C CG . GLU K 1 230 ? 33.211 127.194 68.083 1.00 32.47 ? ? ? ? ? ? 229 GLU K CG 1 +ATOM 21657 C CD . GLU K 1 230 ? 33.114 128.515 67.350 1.00 37.57 ? ? ? ? ? ? 229 GLU K CD 1 +ATOM 21658 O OE1 . GLU K 1 230 ? 34.085 128.881 66.609 1.00 48.21 ? ? ? ? ? ? 229 GLU K OE1 1 +ATOM 21659 O OE2 . GLU K 1 230 ? 32.058 129.168 67.508 1.00 50.41 ? ? ? ? ? ? 229 GLU K OE2 1 +ATOM 21660 N N . ARG K 1 231 ? 35.023 124.052 67.193 1.00 25.38 ? ? ? ? ? ? 230 ARG K N 1 +ATOM 21661 C CA . ARG K 1 231 ? 34.654 123.132 66.149 1.00 28.09 ? ? ? ? ? ? 230 ARG K CA 1 +ATOM 21662 C C . ARG K 1 231 ? 34.364 121.740 66.715 1.00 25.09 ? ? ? ? ? ? 230 ARG K C 1 +ATOM 21663 O O . ARG K 1 231 ? 33.447 121.058 66.240 1.00 25.97 ? ? ? ? ? ? 230 ARG K O 1 +ATOM 21664 C CB . ARG K 1 231 ? 35.783 123.070 65.132 1.00 31.53 ? ? ? ? ? ? 230 ARG K CB 1 +ATOM 21665 C CG . ARG K 1 231 ? 35.327 122.857 63.705 1.00 43.69 ? ? ? ? ? ? 230 ARG K CG 1 +ATOM 21666 C CD . ARG K 1 231 ? 36.457 123.216 62.726 1.00 55.04 ? ? ? ? ? ? 230 ARG K CD 1 +ATOM 21667 N NE . ARG K 1 231 ? 37.581 122.268 62.800 1.00 60.95 ? ? ? ? ? ? 230 ARG K NE 1 +ATOM 21668 C CZ . ARG K 1 231 ? 37.567 121.023 62.310 1.00 62.67 ? ? ? ? ? ? 230 ARG K CZ 1 +ATOM 21669 N NH1 . ARG K 1 231 ? 38.655 120.255 62.421 1.00 56.30 ? ? ? ? ? ? 230 ARG K NH1 1 +ATOM 21670 N NH2 . ARG K 1 231 ? 36.471 120.531 61.708 1.00 63.53 ? ? ? ? ? ? 230 ARG K NH2 1 +ATOM 21671 N N . TYR K 1 232 ? 35.145 121.333 67.721 1.00 23.47 ? ? ? ? ? ? 231 TYR K N 1 +ATOM 21672 C CA . TYR K 1 232 ? 35.024 120.026 68.380 1.00 22.78 ? ? ? ? ? ? 231 TYR K CA 1 +ATOM 21673 C C . TYR K 1 232 ? 33.793 119.938 69.261 1.00 22.25 ? ? ? ? ? ? 231 TYR K C 1 +ATOM 21674 O O . TYR K 1 232 ? 33.084 118.930 69.248 1.00 25.25 ? ? ? ? ? ? 231 TYR K O 1 +ATOM 21675 C CB . TYR K 1 232 ? 36.284 119.746 69.207 1.00 24.16 ? ? ? ? ? ? 231 TYR K CB 1 +ATOM 21676 C CG . TYR K 1 232 ? 36.323 118.389 69.891 1.00 24.79 ? ? ? ? ? ? 231 TYR K CG 1 +ATOM 21677 C CD1 . TYR K 1 232 ? 35.983 117.228 69.213 1.00 22.64 ? ? ? ? ? ? 231 TYR K CD1 1 +ATOM 21678 C CD2 . TYR K 1 232 ? 36.739 118.271 71.221 1.00 25.06 ? ? ? ? ? ? 231 TYR K CD2 1 +ATOM 21679 C CE1 . TYR K 1 232 ? 35.994 115.955 69.864 1.00 24.75 ? ? ? ? ? ? 231 TYR K CE1 1 +ATOM 21680 C CE2 . TYR K 1 232 ? 36.783 117.018 71.877 1.00 22.12 ? ? ? ? ? ? 231 TYR K CE2 1 +ATOM 21681 C CZ . TYR K 1 232 ? 36.390 115.868 71.189 1.00 23.48 ? ? ? ? ? ? 231 TYR K CZ 1 +ATOM 21682 O OH . TYR K 1 232 ? 36.404 114.663 71.841 1.00 25.97 ? ? ? ? ? ? 231 TYR K OH 1 +ATOM 21683 N N . VAL K 1 233 ? 33.505 120.991 70.004 1.00 22.67 ? ? ? ? ? ? 232 VAL K N 1 +ATOM 21684 C CA . VAL K 1 233 ? 32.385 120.962 70.947 1.00 22.41 ? ? ? ? ? ? 232 VAL K CA 1 +ATOM 21685 C C . VAL K 1 233 ? 31.051 121.050 70.272 1.00 23.48 ? ? ? ? ? ? 232 VAL K C 1 +ATOM 21686 O O . VAL K 1 233 ? 30.072 120.622 70.852 1.00 23.66 ? ? ? ? ? ? 232 VAL K O 1 +ATOM 21687 C CB . VAL K 1 233 ? 32.459 122.059 72.071 1.00 24.78 ? ? ? ? ? ? 232 VAL K CB 1 +ATOM 21688 C CG1 . VAL K 1 233 ? 33.652 121.803 72.999 1.00 25.71 ? ? ? ? ? ? 232 VAL K CG1 1 +ATOM 21689 C CG2 . VAL K 1 233 ? 32.539 123.456 71.514 1.00 22.58 ? ? ? ? ? ? 232 VAL K CG2 1 +ATOM 21690 N N . LYS K 1 234 ? 30.978 121.595 69.059 1.00 23.80 ? ? ? ? ? ? 233 LYS K N 1 +ATOM 21691 C CA . LYS K 1 234 ? 29.683 121.720 68.397 1.00 25.07 ? ? ? ? ? ? 233 LYS K CA 1 +ATOM 21692 C C . LYS K 1 234 ? 28.955 120.382 68.248 1.00 22.95 ? ? ? ? ? ? 233 LYS K C 1 +ATOM 21693 O O . LYS K 1 234 ? 27.771 120.285 68.643 1.00 23.92 ? ? ? ? ? ? 233 LYS K O 1 +ATOM 21694 C CB . LYS K 1 234 ? 29.818 122.414 67.034 1.00 27.51 ? ? ? ? ? ? 233 LYS K CB 1 +ATOM 21695 C CG . LYS K 1 234 ? 29.755 123.955 67.153 1.00 34.42 ? ? ? ? ? ? 233 LYS K CG 1 +ATOM 21696 C CD . LYS K 1 234 ? 29.796 124.667 65.772 1.00 39.11 ? ? ? ? ? ? 233 LYS K CD 1 +ATOM 21697 C CE . LYS K 1 234 ? 29.344 126.148 65.857 1.00 45.12 ? ? ? ? ? ? 233 LYS K CE 1 +ATOM 21698 N NZ . LYS K 1 234 ? 29.868 126.865 67.086 1.00 55.23 ? ? ? ? ? ? 233 LYS K NZ 1 +ATOM 21699 N N . PRO K 1 235 ? 29.618 119.353 67.647 1.00 21.56 ? ? ? ? ? ? 234 PRO K N 1 +ATOM 21700 C CA . PRO K 1 235 ? 28.942 118.048 67.596 1.00 22.19 ? ? ? ? ? ? 234 PRO K CA 1 +ATOM 21701 C C . PRO K 1 235 ? 28.717 117.365 68.976 1.00 21.06 ? ? ? ? ? ? 234 PRO K C 1 +ATOM 21702 O O . PRO K 1 235 ? 27.735 116.631 69.145 1.00 20.82 ? ? ? ? ? ? 234 PRO K O 1 +ATOM 21703 C CB . PRO K 1 235 ? 29.827 117.225 66.657 1.00 22.17 ? ? ? ? ? ? 234 PRO K CB 1 +ATOM 21704 C CG . PRO K 1 235 ? 31.175 117.917 66.642 1.00 21.35 ? ? ? ? ? ? 234 PRO K CG 1 +ATOM 21705 C CD . PRO K 1 235 ? 30.917 119.345 66.940 1.00 23.52 ? ? ? ? ? ? 234 PRO K CD 1 +ATOM 21706 N N . ILE K 1 236 ? 29.611 117.606 69.943 1.00 21.78 ? ? ? ? ? ? 235 ILE K N 1 +ATOM 21707 C CA . ILE K 1 236 ? 29.449 117.082 71.306 1.00 20.62 ? ? ? ? ? ? 235 ILE K CA 1 +ATOM 21708 C C . ILE K 1 236 ? 28.163 117.674 71.904 1.00 20.59 ? ? ? ? ? ? 235 ILE K C 1 +ATOM 21709 O O . ILE K 1 236 ? 27.329 116.929 72.374 1.00 22.12 ? ? ? ? ? ? 235 ILE K O 1 +ATOM 21710 C CB . ILE K 1 236 ? 30.662 117.395 72.224 1.00 22.32 ? ? ? ? ? ? 235 ILE K CB 1 +ATOM 21711 C CG1 . ILE K 1 236 ? 31.909 116.638 71.774 1.00 18.40 ? ? ? ? ? ? 235 ILE K CG1 1 +ATOM 21712 C CG2 . ILE K 1 236 ? 30.348 117.071 73.731 1.00 19.09 ? ? ? ? ? ? 235 ILE K CG2 1 +ATOM 21713 C CD1 . ILE K 1 236 ? 33.215 117.167 72.401 1.00 19.86 ? ? ? ? ? ? 235 ILE K CD1 1 +ATOM 21714 N N . VAL K 1 237 ? 27.994 118.999 71.828 1.00 20.18 ? ? ? ? ? ? 236 VAL K N 1 +ATOM 21715 C CA . VAL K 1 237 ? 26.797 119.698 72.360 1.00 20.33 ? ? ? ? ? ? 236 VAL K CA 1 +ATOM 21716 C C . VAL K 1 237 ? 25.510 119.221 71.695 1.00 21.71 ? ? ? ? ? ? 236 VAL K C 1 +ATOM 21717 O O . VAL K 1 237 ? 24.442 119.035 72.339 1.00 22.34 ? ? ? ? ? ? 236 VAL K O 1 +ATOM 21718 C CB . VAL K 1 237 ? 26.937 121.261 72.183 1.00 22.85 ? ? ? ? ? ? 236 VAL K CB 1 +ATOM 21719 C CG1 . VAL K 1 237 ? 25.614 121.973 72.408 1.00 18.88 ? ? ? ? ? ? 236 VAL K CG1 1 +ATOM 21720 C CG2 . VAL K 1 237 ? 28.038 121.848 73.118 1.00 21.03 ? ? ? ? ? ? 236 VAL K CG2 1 +ATOM 21721 N N . GLU K 1 238 ? 25.604 119.025 70.384 1.00 22.91 ? ? ? ? ? ? 237 GLU K N 1 +ATOM 21722 C CA . GLU K 1 238 ? 24.468 118.531 69.599 1.00 23.48 ? ? ? ? ? ? 237 GLU K CA 1 +ATOM 21723 C C . GLU K 1 238 ? 24.072 117.116 70.005 1.00 21.33 ? ? ? ? ? ? 237 GLU K C 1 +ATOM 21724 O O . GLU K 1 238 ? 22.901 116.843 70.160 1.00 21.86 ? ? ? ? ? ? 237 GLU K O 1 +ATOM 21725 C CB . GLU K 1 238 ? 24.785 118.598 68.097 1.00 24.61 ? ? ? ? ? ? 237 GLU K CB 1 +ATOM 21726 C CG . GLU K 1 238 ? 23.798 117.869 67.179 1.00 33.53 ? ? ? ? ? ? 237 GLU K CG 1 +ATOM 21727 C CD . GLU K 1 238 ? 22.387 118.432 67.204 1.00 37.67 ? ? ? ? ? ? 237 GLU K CD 1 +ATOM 21728 O OE1 . GLU K 1 238 ? 22.264 119.681 67.113 1.00 42.85 ? ? ? ? ? ? 237 GLU K OE1 1 +ATOM 21729 O OE2 . GLU K 1 238 ? 21.421 117.621 67.281 1.00 38.81 ? ? ? ? ? ? 237 GLU K OE2 1 +ATOM 21730 N N . LYS K 1 239 ? 25.035 116.215 70.146 1.00 22.28 ? ? ? ? ? ? 238 LYS K N 1 +ATOM 21731 C CA . LYS K 1 239 ? 24.734 114.817 70.563 1.00 23.43 ? ? ? ? ? ? 238 LYS K CA 1 +ATOM 21732 C C . LYS K 1 239 ? 24.144 114.736 71.971 1.00 22.48 ? ? ? ? ? ? 238 LYS K C 1 +ATOM 21733 O O . LYS K 1 239 ? 23.145 114.020 72.195 1.00 22.25 ? ? ? ? ? ? 238 LYS K O 1 +ATOM 21734 C CB . LYS K 1 239 ? 25.975 113.938 70.475 1.00 25.55 ? ? ? ? ? ? 238 LYS K CB 1 +ATOM 21735 C CG . LYS K 1 239 ? 26.289 113.394 69.075 1.00 29.49 ? ? ? ? ? ? 238 LYS K CG 1 +ATOM 21736 C CD . LYS K 1 239 ? 27.558 112.577 69.118 1.00 33.15 ? ? ? ? ? ? 238 LYS K CD 1 +ATOM 21737 C CE . LYS K 1 239 ? 28.048 112.098 67.738 1.00 43.48 ? ? ? ? ? ? 238 LYS K CE 1 +ATOM 21738 N NZ . LYS K 1 239 ? 29.079 110.983 67.846 1.00 43.60 ? ? ? ? ? ? 238 LYS K NZ 1 +ATOM 21739 N N . LEU K 1 240 ? 24.732 115.494 72.905 1.00 21.83 ? ? ? ? ? ? 239 LEU K N 1 +ATOM 21740 C CA . LEU K 1 240 ? 24.244 115.522 74.274 1.00 21.01 ? ? ? ? ? ? 239 LEU K CA 1 +ATOM 21741 C C . LEU K 1 240 ? 22.842 116.099 74.326 1.00 20.93 ? ? ? ? ? ? 239 LEU K C 1 +ATOM 21742 O O . LEU K 1 240 ? 22.002 115.580 75.032 1.00 20.65 ? ? ? ? ? ? 239 LEU K O 1 +ATOM 21743 C CB . LEU K 1 240 ? 25.211 116.285 75.212 1.00 22.78 ? ? ? ? ? ? 239 LEU K CB 1 +ATOM 21744 C CG . LEU K 1 240 ? 26.526 115.577 75.576 1.00 19.15 ? ? ? ? ? ? 239 LEU K CG 1 +ATOM 21745 C CD1 . LEU K 1 240 ? 27.465 116.501 76.389 1.00 16.95 ? ? ? ? ? ? 239 LEU K CD1 1 +ATOM 21746 C CD2 . LEU K 1 240 ? 26.273 114.258 76.348 1.00 20.09 ? ? ? ? ? ? 239 LEU K CD2 1 +ATOM 21747 N N . ALA K 1 241 ? 22.561 117.120 73.513 1.00 21.46 ? ? ? ? ? ? 240 ALA K N 1 +ATOM 21748 C CA . ALA K 1 241 ? 21.212 117.685 73.432 1.00 20.24 ? ? ? ? ? ? 240 ALA K CA 1 +ATOM 21749 C C . ALA K 1 241 ? 20.201 116.668 72.940 1.00 20.53 ? ? ? ? ? ? 240 ALA K C 1 +ATOM 21750 O O . ALA K 1 241 ? 19.096 116.556 73.505 1.00 22.65 ? ? ? ? ? ? 240 ALA K O 1 +ATOM 21751 C CB . ALA K 1 241 ? 21.199 118.951 72.570 1.00 18.64 ? ? ? ? ? ? 240 ALA K CB 1 +ATOM 21752 N N . GLY K 1 242 ? 20.581 115.876 71.946 1.00 21.12 ? ? ? ? ? ? 241 GLY K N 1 +ATOM 21753 C CA . GLY K 1 242 ? 19.754 114.724 71.518 1.00 21.32 ? ? ? ? ? ? 241 GLY K CA 1 +ATOM 21754 C C . GLY K 1 242 ? 19.516 113.670 72.606 1.00 21.96 ? ? ? ? ? ? 241 GLY K C 1 +ATOM 21755 O O . GLY K 1 242 ? 18.391 113.223 72.823 1.00 22.33 ? ? ? ? ? ? 241 GLY K O 1 +ATOM 21756 N N . LEU K 1 243 ? 20.578 113.279 73.313 1.00 21.71 ? ? ? ? ? ? 242 LEU K N 1 +ATOM 21757 C CA . LEU K 1 243 ? 20.442 112.371 74.445 1.00 21.01 ? ? ? ? ? ? 242 LEU K CA 1 +ATOM 21758 C C . LEU K 1 243 ? 19.377 112.906 75.411 1.00 21.78 ? ? ? ? ? ? 242 LEU K C 1 +ATOM 21759 O O . LEU K 1 243 ? 18.445 112.181 75.763 1.00 21.01 ? ? ? ? ? ? 242 LEU K O 1 +ATOM 21760 C CB . LEU K 1 243 ? 21.782 112.163 75.153 1.00 20.48 ? ? ? ? ? ? 242 LEU K CB 1 +ATOM 21761 C CG . LEU K 1 243 ? 21.732 111.334 76.448 1.00 21.23 ? ? ? ? ? ? 242 LEU K CG 1 +ATOM 21762 C CD1 . LEU K 1 243 ? 21.265 109.870 76.181 1.00 21.02 ? ? ? ? ? ? 242 LEU K CD1 1 +ATOM 21763 C CD2 . LEU K 1 243 ? 23.069 111.343 77.167 1.00 20.92 ? ? ? ? ? ? 242 LEU K CD2 1 +ATOM 21764 N N . PHE K 1 244 ? 19.500 114.175 75.806 1.00 22.32 ? ? ? ? ? ? 243 PHE K N 1 +ATOM 21765 C CA . PHE K 1 244 ? 18.547 114.748 76.761 1.00 23.43 ? ? ? ? ? ? 243 PHE K CA 1 +ATOM 21766 C C . PHE K 1 244 ? 17.136 114.684 76.212 1.00 23.77 ? ? ? ? ? ? 243 PHE K C 1 +ATOM 21767 O O . PHE K 1 244 ? 16.206 114.345 76.933 1.00 25.11 ? ? ? ? ? ? 243 PHE K O 1 +ATOM 21768 C CB . PHE K 1 244 ? 18.827 116.218 77.110 1.00 24.02 ? ? ? ? ? ? 243 PHE K CB 1 +ATOM 21769 C CG . PHE K 1 244 ? 20.225 116.511 77.606 1.00 23.51 ? ? ? ? ? ? 243 PHE K CG 1 +ATOM 21770 C CD1 . PHE K 1 244 ? 21.037 115.533 78.148 1.00 27.59 ? ? ? ? ? ? 243 PHE K CD1 1 +ATOM 21771 C CD2 . PHE K 1 244 ? 20.687 117.806 77.589 1.00 26.19 ? ? ? ? ? ? 243 PHE K CD2 1 +ATOM 21772 C CE1 . PHE K 1 244 ? 22.302 115.846 78.614 1.00 26.44 ? ? ? ? ? ? 243 PHE K CE1 1 +ATOM 21773 C CE2 . PHE K 1 244 ? 21.955 118.113 78.053 1.00 23.74 ? ? ? ? ? ? 243 PHE K CE2 1 +ATOM 21774 C CZ . PHE K 1 244 ? 22.750 117.138 78.565 1.00 25.37 ? ? ? ? ? ? 243 PHE K CZ 1 +ATOM 21775 N N . GLU K 1 245 ? 16.967 115.069 74.958 1.00 23.84 ? ? ? ? ? ? 244 GLU K N 1 +ATOM 21776 C CA . GLU K 1 245 ? 15.647 115.029 74.333 1.00 24.69 ? ? ? ? ? ? 244 GLU K CA 1 +ATOM 21777 C C . GLU K 1 245 ? 15.078 113.613 74.378 1.00 24.38 ? ? ? ? ? ? 244 GLU K C 1 +ATOM 21778 O O . GLU K 1 245 ? 13.952 113.425 74.815 1.00 26.02 ? ? ? ? ? ? 244 GLU K O 1 +ATOM 21779 C CB . GLU K 1 245 ? 15.698 115.569 72.889 1.00 25.06 ? ? ? ? ? ? 244 GLU K CB 1 +ATOM 21780 C CG . GLU K 1 245 ? 15.891 117.089 72.848 1.00 27.96 ? ? ? ? ? ? 244 GLU K CG 1 +ATOM 21781 C CD . GLU K 1 245 ? 16.341 117.660 71.499 1.00 28.60 ? ? ? ? ? ? 244 GLU K CD 1 +ATOM 21782 O OE1 . GLU K 1 245 ? 16.944 116.946 70.679 1.00 32.90 ? ? ? ? ? ? 244 GLU K OE1 1 +ATOM 21783 O OE2 . GLU K 1 245 ? 16.075 118.864 71.261 1.00 34.81 ? ? ? ? ? ? 244 GLU K OE2 1 +ATOM 21784 N N . GLU K 1 246 ? 15.874 112.616 74.005 1.00 24.79 ? ? ? ? ? ? 245 GLU K N 1 +ATOM 21785 C CA . GLU K 1 246 ? 15.410 111.213 73.996 1.00 25.46 ? ? ? ? ? ? 245 GLU K CA 1 +ATOM 21786 C C . GLU K 1 246 ? 15.135 110.680 75.391 1.00 26.26 ? ? ? ? ? ? 245 GLU K C 1 +ATOM 21787 O O . GLU K 1 246 ? 14.085 110.044 75.605 1.00 27.62 ? ? ? ? ? ? 245 GLU K O 1 +ATOM 21788 C CB . GLU K 1 246 ? 16.401 110.304 73.265 1.00 24.49 ? ? ? ? ? ? 245 GLU K CB 1 +ATOM 21789 C CG . GLU K 1 246 ? 16.630 110.689 71.825 1.00 28.29 ? ? ? ? ? ? 245 GLU K CG 1 +ATOM 21790 C CD . GLU K 1 246 ? 17.893 110.052 71.217 1.00 27.57 ? ? ? ? ? ? 245 GLU K CD 1 +ATOM 21791 O OE1 . GLU K 1 246 ? 18.725 109.533 71.984 1.00 31.86 ? ? ? ? ? ? 245 GLU K OE1 1 +ATOM 21792 O OE2 . GLU K 1 246 ? 18.049 110.096 69.986 1.00 30.46 ? ? ? ? ? ? 245 GLU K OE2 1 +ATOM 21793 N N . MSE K 1 247 ? 16.026 110.956 76.348 1.00 26.54 ? ? ? ? ? ? 246 MSE K N 1 +ATOM 21794 C CA . MSE K 1 247 ? 15.755 110.671 77.777 1.00 26.52 ? ? ? ? ? ? 246 MSE K CA 1 +ATOM 21795 C C . MSE K 1 247 ? 14.438 111.271 78.256 1.00 28.47 ? ? ? ? ? ? 246 MSE K C 1 +ATOM 21796 O O . MSE K 1 247 ? 13.642 110.608 78.918 1.00 29.12 ? ? ? ? ? ? 246 MSE K O 1 +ATOM 21797 C CB . MSE K 1 247 ? 16.880 111.202 78.640 1.00 27.88 ? ? ? ? ? ? 246 MSE K CB 1 +ATOM 21798 C CG . MSE K 1 247 ? 18.107 110.361 78.554 1.00 27.10 ? ? ? ? ? ? 246 MSE K CG 1 +ATOM 21799 SE SE . MSE K 1 247 ? 19.545 111.024 79.561 0.75 36.17 ? ? ? ? ? ? 246 MSE K SE 1 +ATOM 21800 C CE . MSE K 1 247 ? 19.141 110.224 81.375 1.00 25.88 ? ? ? ? ? ? 246 MSE K CE 1 +ATOM 21801 N N . ALA K 1 248 ? 14.212 112.543 77.940 1.00 30.11 ? ? ? ? ? ? 247 ALA K N 1 +ATOM 21802 C CA . ALA K 1 248 ? 12.952 113.203 78.271 1.00 30.72 ? ? ? ? ? ? 247 ALA K CA 1 +ATOM 21803 C C . ALA K 1 248 ? 11.736 112.569 77.595 1.00 30.90 ? ? ? ? ? ? 247 ALA K C 1 +ATOM 21804 O O . ALA K 1 248 ? 10.627 112.615 78.129 1.00 32.19 ? ? ? ? ? ? 247 ALA K O 1 +ATOM 21805 C CB . ALA K 1 248 ? 13.010 114.711 77.920 1.00 31.78 ? ? ? ? ? ? 247 ALA K CB 1 +ATOM 21806 N N . GLN K 1 249 ? 11.905 111.987 76.420 1.00 30.87 ? ? ? ? ? ? 248 GLN K N 1 +ATOM 21807 C CA . GLN K 1 249 ? 10.744 111.593 75.611 1.00 33.38 ? ? ? ? ? ? 248 GLN K CA 1 +ATOM 21808 C C . GLN K 1 249 ? 10.466 110.093 75.509 1.00 33.86 ? ? ? ? ? ? 248 GLN K C 1 +ATOM 21809 O O . GLN K 1 249 ? 9.436 109.685 74.964 1.00 34.70 ? ? ? ? ? ? 248 GLN K O 1 +ATOM 21810 C CB . GLN K 1 249 ? 10.886 112.170 74.213 1.00 33.27 ? ? ? ? ? ? 248 GLN K CB 1 +ATOM 21811 C CG . GLN K 1 249 ? 10.597 113.687 74.208 1.00 40.93 ? ? ? ? ? ? 248 GLN K CG 1 +ATOM 21812 C CD . GLN K 1 249 ? 11.271 114.457 73.084 1.00 40.76 ? ? ? ? ? ? 248 GLN K CD 1 +ATOM 21813 O OE1 . GLN K 1 249 ? 11.720 113.878 72.082 1.00 47.42 ? ? ? ? ? ? 248 GLN K OE1 1 +ATOM 21814 N NE2 . GLN K 1 249 ? 11.349 115.781 73.252 1.00 42.16 ? ? ? ? ? ? 248 GLN K NE2 1 +ATOM 21815 N N . HIS K 1 250 ? 11.386 109.274 75.994 1.00 33.35 ? ? ? ? ? ? 249 HIS K N 1 +ATOM 21816 C CA . HIS K 1 250 ? 11.241 107.839 75.898 1.00 32.88 ? ? ? ? ? ? 249 HIS K CA 1 +ATOM 21817 C C . HIS K 1 250 ? 11.626 107.210 77.205 1.00 32.36 ? ? ? ? ? ? 249 HIS K C 1 +ATOM 21818 O O . HIS K 1 250 ? 12.530 107.680 77.883 1.00 33.37 ? ? ? ? ? ? 249 HIS K O 1 +ATOM 21819 C CB . HIS K 1 250 ? 12.159 107.279 74.832 1.00 33.69 ? ? ? ? ? ? 249 HIS K CB 1 +ATOM 21820 C CG . HIS K 1 250 ? 11.802 107.669 73.434 1.00 36.11 ? ? ? ? ? ? 249 HIS K CG 1 +ATOM 21821 N ND1 . HIS K 1 250 ? 10.983 106.904 72.630 1.00 38.31 ? ? ? ? ? ? 249 HIS K ND1 1 +ATOM 21822 C CD2 . HIS K 1 250 ? 12.194 108.722 72.682 1.00 37.31 ? ? ? ? ? ? 249 HIS K CD2 1 +ATOM 21823 C CE1 . HIS K 1 250 ? 10.877 107.478 71.448 1.00 42.44 ? ? ? ? ? ? 249 HIS K CE1 1 +ATOM 21824 N NE2 . HIS K 1 250 ? 11.602 108.584 71.454 1.00 39.70 ? ? ? ? ? ? 249 HIS K NE2 1 +ATOM 21825 N N . ASP K 1 251 ? 10.937 106.134 77.548 1.00 32.36 ? ? ? ? ? ? 250 ASP K N 1 +ATOM 21826 C CA . ASP K 1 251 ? 11.377 105.237 78.597 1.00 31.56 ? ? ? ? ? ? 250 ASP K CA 1 +ATOM 21827 C C . ASP K 1 251 ? 12.608 104.485 78.114 1.00 28.25 ? ? ? ? ? ? 250 ASP K C 1 +ATOM 21828 O O . ASP K 1 251 ? 12.870 104.402 76.911 1.00 27.61 ? ? ? ? ? ? 250 ASP K O 1 +ATOM 21829 C CB . ASP K 1 251 ? 10.250 104.286 78.992 1.00 33.13 ? ? ? ? ? ? 250 ASP K CB 1 +ATOM 21830 C CG . ASP K 1 251 ? 9.089 105.012 79.682 1.00 42.17 ? ? ? ? ? ? 250 ASP K CG 1 +ATOM 21831 O OD1 . ASP K 1 251 ? 9.326 105.700 80.715 1.00 46.37 ? ? ? ? ? ? 250 ASP K OD1 1 +ATOM 21832 O OD2 . ASP K 1 251 ? 7.944 104.890 79.185 1.00 48.93 ? ? ? ? ? ? 250 ASP K OD2 1 +ATOM 21833 N N . LEU K 1 252 ? 13.380 103.960 79.058 1.00 26.47 ? ? ? ? ? ? 251 LEU K N 1 +ATOM 21834 C CA . LEU K 1 252 ? 14.623 103.270 78.736 1.00 26.10 ? ? ? ? ? ? 251 LEU K CA 1 +ATOM 21835 C C . LEU K 1 252 ? 14.342 102.125 77.749 1.00 25.88 ? ? ? ? ? ? 251 LEU K C 1 +ATOM 21836 O O . LEU K 1 252 ? 15.120 101.898 76.817 1.00 24.00 ? ? ? ? ? ? 251 LEU K O 1 +ATOM 21837 C CB . LEU K 1 252 ? 15.265 102.727 80.027 1.00 26.35 ? ? ? ? ? ? 251 LEU K CB 1 +ATOM 21838 C CG . LEU K 1 252 ? 16.627 102.090 79.882 1.00 23.42 ? ? ? ? ? ? 251 LEU K CG 1 +ATOM 21839 C CD1 . LEU K 1 252 ? 17.583 103.049 79.214 1.00 20.94 ? ? ? ? ? ? 251 LEU K CD1 1 +ATOM 21840 C CD2 . LEU K 1 252 ? 17.123 101.609 81.255 1.00 21.87 ? ? ? ? ? ? 251 LEU K CD2 1 +ATOM 21841 N N . TYR K 1 253 ? 13.222 101.432 77.975 1.00 27.02 ? ? ? ? ? ? 252 TYR K N 1 +ATOM 21842 C CA . TYR K 1 253 ? 12.734 100.358 77.104 1.00 28.39 ? ? ? ? ? ? 252 TYR K CA 1 +ATOM 21843 C C . TYR K 1 253 ? 11.250 100.600 76.825 1.00 31.82 ? ? ? ? ? ? 252 TYR K C 1 +ATOM 21844 O O . TYR K 1 253 ? 10.530 101.050 77.714 1.00 31.51 ? ? ? ? ? ? 252 TYR K O 1 +ATOM 21845 C CB . TYR K 1 253 ? 12.857 99.017 77.807 1.00 28.12 ? ? ? ? ? ? 252 TYR K CB 1 +ATOM 21846 C CG . TYR K 1 253 ? 14.261 98.526 77.972 1.00 24.01 ? ? ? ? ? ? 252 TYR K CG 1 +ATOM 21847 C CD1 . TYR K 1 253 ? 14.872 97.801 76.969 1.00 22.38 ? ? ? ? ? ? 252 TYR K CD1 1 +ATOM 21848 C CD2 . TYR K 1 253 ? 14.970 98.757 79.149 1.00 24.72 ? ? ? ? ? ? 252 TYR K CD2 1 +ATOM 21849 C CE1 . TYR K 1 253 ? 16.183 97.344 77.120 1.00 25.97 ? ? ? ? ? ? 252 TYR K CE1 1 +ATOM 21850 C CE2 . TYR K 1 253 ? 16.288 98.299 79.300 1.00 21.04 ? ? ? ? ? ? 252 TYR K CE2 1 +ATOM 21851 C CZ . TYR K 1 253 ? 16.880 97.608 78.280 1.00 20.85 ? ? ? ? ? ? 252 TYR K CZ 1 +ATOM 21852 O OH . TYR K 1 253 ? 18.161 97.136 78.430 1.00 22.82 ? ? ? ? ? ? 252 TYR K OH 1 +ATOM 21853 N N . GLU K 1 254 ? 10.802 100.286 75.606 1.00 36.79 ? ? ? ? ? ? 253 GLU K N 1 +ATOM 21854 C CA . GLU K 1 254 ? 9.376 100.466 75.211 1.00 43.20 ? ? ? ? ? ? 253 GLU K CA 1 +ATOM 21855 C C . GLU K 1 254 ? 8.812 99.307 74.362 1.00 44.69 ? ? ? ? ? ? 253 GLU K C 1 +ATOM 21856 O O . GLU K 1 254 ? 9.560 98.574 73.693 1.00 46.37 ? ? ? ? ? ? 253 GLU K O 1 +ATOM 21857 C CB . GLU K 1 254 ? 9.199 101.767 74.424 1.00 42.39 ? ? ? ? ? ? 253 GLU K CB 1 +ATOM 21858 C CG . GLU K 1 254 ? 9.653 103.002 75.167 1.00 47.09 ? ? ? ? ? ? 253 GLU K CG 1 +ATOM 21859 C CD . GLU K 1 254 ? 9.546 104.269 74.330 1.00 44.80 ? ? ? ? ? ? 253 GLU K CD 1 +ATOM 21860 O OE1 . GLU K 1 254 ? 9.816 104.209 73.084 1.00 43.90 ? ? ? ? ? ? 253 GLU K OE1 1 +ATOM 21861 O OE2 . GLU K 1 254 ? 9.190 105.302 74.948 1.00 38.07 ? ? ? ? ? ? 253 GLU K OE2 1 +ATOM 21862 O OXT . GLU K 1 254 ? 7.583 99.084 74.313 1.00 49.32 ? ? ? ? ? ? 253 GLU K OXT 1 +ATOM 21863 N N . MSE L 1 2 ? 40.896 138.502 89.381 1.00 39.15 ? ? ? ? ? ? 1 MSE L N 1 +ATOM 21864 C CA . MSE L 1 2 ? 41.388 137.079 89.255 1.00 40.13 ? ? ? ? ? ? 1 MSE L CA 1 +ATOM 21865 C C . MSE L 1 2 ? 42.800 136.948 89.809 1.00 37.50 ? ? ? ? ? ? 1 MSE L C 1 +ATOM 21866 O O . MSE L 1 2 ? 43.716 137.646 89.362 1.00 37.99 ? ? ? ? ? ? 1 MSE L O 1 +ATOM 21867 C CB . MSE L 1 2 ? 41.364 136.592 87.802 1.00 39.07 ? ? ? ? ? ? 1 MSE L CB 1 +ATOM 21868 C CG . MSE L 1 2 ? 42.343 135.436 87.488 1.00 41.05 ? ? ? ? ? ? 1 MSE L CG 1 +ATOM 21869 SE SE . MSE L 1 2 ? 42.232 134.716 85.647 0.75 47.51 ? ? ? ? ? ? 1 MSE L SE 1 +ATOM 21870 C CE . MSE L 1 2 ? 40.179 134.784 85.490 1.00 43.73 ? ? ? ? ? ? 1 MSE L CE 1 +ATOM 21871 N N . ASN L 1 3 ? 42.986 136.033 90.753 1.00 33.76 ? ? ? ? ? ? 2 ASN L N 1 +ATOM 21872 C CA . ASN L 1 3 ? 44.267 135.893 91.418 1.00 31.05 ? ? ? ? ? ? 2 ASN L CA 1 +ATOM 21873 C C . ASN L 1 3 ? 44.753 134.458 91.512 1.00 29.98 ? ? ? ? ? ? 2 ASN L C 1 +ATOM 21874 O O . ASN L 1 3 ? 44.397 133.724 92.462 1.00 28.43 ? ? ? ? ? ? 2 ASN L O 1 +ATOM 21875 C CB . ASN L 1 3 ? 44.178 136.488 92.814 1.00 31.13 ? ? ? ? ? ? 2 ASN L CB 1 +ATOM 21876 C CG . ASN L 1 3 ? 45.534 136.709 93.437 1.00 28.98 ? ? ? ? ? ? 2 ASN L CG 1 +ATOM 21877 O OD1 . ASN L 1 3 ? 46.558 136.258 92.923 1.00 32.07 ? ? ? ? ? ? 2 ASN L OD1 1 +ATOM 21878 N ND2 . ASN L 1 3 ? 45.551 137.423 94.554 1.00 31.65 ? ? ? ? ? ? 2 ASN L ND2 1 +ATOM 21879 N N . LYS L 1 4 ? 45.599 134.064 90.566 1.00 28.77 ? ? ? ? ? ? 3 LYS L N 1 +ATOM 21880 C CA . LYS L 1 4 ? 46.041 132.673 90.481 1.00 30.05 ? ? ? ? ? ? 3 LYS L CA 1 +ATOM 21881 C C . LYS L 1 4 ? 46.996 132.248 91.607 1.00 28.82 ? ? ? ? ? ? 3 LYS L C 1 +ATOM 21882 O O . LYS L 1 4 ? 47.233 131.032 91.835 1.00 27.93 ? ? ? ? ? ? 3 LYS L O 1 +ATOM 21883 C CB . LYS L 1 4 ? 46.681 132.402 89.123 1.00 31.56 ? ? ? ? ? ? 3 LYS L CB 1 +ATOM 21884 C CG . LYS L 1 4 ? 45.700 132.483 87.958 1.00 32.43 ? ? ? ? ? ? 3 LYS L CG 1 +ATOM 21885 C CD . LYS L 1 4 ? 46.355 131.935 86.715 1.00 31.58 ? ? ? ? ? ? 3 LYS L CD 1 +ATOM 21886 C CE . LYS L 1 4 ? 45.527 132.110 85.448 1.00 37.44 ? ? ? ? ? ? 3 LYS L CE 1 +ATOM 21887 N NZ . LYS L 1 4 ? 46.339 131.690 84.250 1.00 31.83 ? ? ? ? ? ? 3 LYS L NZ 1 +ATOM 21888 N N . GLU L 1 5 ? 47.533 133.232 92.317 1.00 27.64 ? ? ? ? ? ? 4 GLU L N 1 +ATOM 21889 C CA . GLU L 1 5 ? 48.502 132.944 93.361 1.00 27.70 ? ? ? ? ? ? 4 GLU L CA 1 +ATOM 21890 C C . GLU L 1 5 ? 47.832 132.358 94.608 1.00 23.89 ? ? ? ? ? ? 4 GLU L C 1 +ATOM 21891 O O . GLU L 1 5 ? 48.435 131.531 95.289 1.00 24.40 ? ? ? ? ? ? 4 GLU L O 1 +ATOM 21892 C CB . GLU L 1 5 ? 49.293 134.209 93.713 1.00 28.77 ? ? ? ? ? ? 4 GLU L CB 1 +ATOM 21893 C CG . GLU L 1 5 ? 50.405 134.009 94.729 1.00 31.74 ? ? ? ? ? ? 4 GLU L CG 1 +ATOM 21894 C CD . GLU L 1 5 ? 51.351 135.197 94.828 1.00 32.36 ? ? ? ? ? ? 4 GLU L CD 1 +ATOM 21895 O OE1 . GLU L 1 5 ? 51.124 136.195 94.110 1.00 42.86 ? ? ? ? ? ? 4 GLU L OE1 1 +ATOM 21896 O OE2 . GLU L 1 5 ? 52.320 135.131 95.634 1.00 34.81 ? ? ? ? ? ? 4 GLU L OE2 1 +ATOM 21897 N N . VAL L 1 6 ? 46.605 132.791 94.900 1.00 21.64 ? ? ? ? ? ? 5 VAL L N 1 +ATOM 21898 C CA . VAL L 1 6 ? 45.909 132.387 96.132 1.00 21.25 ? ? ? ? ? ? 5 VAL L CA 1 +ATOM 21899 C C . VAL L 1 6 ? 44.476 131.788 95.931 1.00 20.70 ? ? ? ? ? ? 5 VAL L C 1 +ATOM 21900 O O . VAL L 1 6 ? 43.877 131.380 96.894 1.00 20.29 ? ? ? ? ? ? 5 VAL L O 1 +ATOM 21901 C CB . VAL L 1 6 ? 45.835 133.556 97.177 1.00 21.81 ? ? ? ? ? ? 5 VAL L CB 1 +ATOM 21902 C CG1 . VAL L 1 6 ? 47.193 134.147 97.454 1.00 21.96 ? ? ? ? ? ? 5 VAL L CG1 1 +ATOM 21903 C CG2 . VAL L 1 6 ? 44.852 134.638 96.718 1.00 21.18 ? ? ? ? ? ? 5 VAL L CG2 1 +ATOM 21904 N N . ASP L 1 7 ? 43.999 131.666 94.687 1.00 20.00 ? ? ? ? ? ? 6 ASP L N 1 +ATOM 21905 C CA . ASP L 1 7 ? 42.677 131.140 94.381 1.00 19.59 ? ? ? ? ? ? 6 ASP L CA 1 +ATOM 21906 C C . ASP L 1 7 ? 42.767 129.970 93.410 1.00 19.99 ? ? ? ? ? ? 6 ASP L C 1 +ATOM 21907 O O . ASP L 1 7 ? 42.887 130.180 92.221 1.00 20.93 ? ? ? ? ? ? 6 ASP L O 1 +ATOM 21908 C CB . ASP L 1 7 ? 41.846 132.262 93.772 1.00 21.49 ? ? ? ? ? ? 6 ASP L CB 1 +ATOM 21909 C CG . ASP L 1 7 ? 40.391 131.869 93.506 1.00 23.57 ? ? ? ? ? ? 6 ASP L CG 1 +ATOM 21910 O OD1 . ASP L 1 7 ? 39.968 130.749 93.871 1.00 27.06 ? ? ? ? ? ? 6 ASP L OD1 1 +ATOM 21911 O OD2 . ASP L 1 7 ? 39.664 132.713 92.929 1.00 26.81 ? ? ? ? ? ? 6 ASP L OD2 1 +ATOM 21912 N N . LEU L 1 8 ? 42.661 128.738 93.918 1.00 19.34 ? ? ? ? ? ? 7 LEU L N 1 +ATOM 21913 C CA . LEU L 1 8 ? 42.871 127.525 93.123 1.00 20.07 ? ? ? ? ? ? 7 LEU L CA 1 +ATOM 21914 C C . LEU L 1 8 ? 41.816 127.330 92.039 1.00 21.13 ? ? ? ? ? ? 7 LEU L C 1 +ATOM 21915 O O . LEU L 1 8 ? 42.025 126.607 91.081 1.00 22.18 ? ? ? ? ? ? 7 LEU L O 1 +ATOM 21916 C CB . LEU L 1 8 ? 42.865 126.274 94.035 1.00 21.25 ? ? ? ? ? ? 7 LEU L CB 1 +ATOM 21917 C CG . LEU L 1 8 ? 43.540 125.038 93.420 1.00 20.23 ? ? ? ? ? ? 7 LEU L CG 1 +ATOM 21918 C CD1 . LEU L 1 8 ? 45.038 125.280 93.471 1.00 12.48 ? ? ? ? ? ? 7 LEU L CD1 1 +ATOM 21919 C CD2 . LEU L 1 8 ? 43.127 123.723 94.095 1.00 15.64 ? ? ? ? ? ? 7 LEU L CD2 1 +ATOM 21920 N N . SER L 1 9 ? 40.650 127.949 92.222 1.00 21.61 ? ? ? ? ? ? 8 SER L N 1 +ATOM 21921 C CA . SER L 1 9 ? 39.594 127.881 91.236 1.00 21.87 ? ? ? ? ? ? 8 SER L CA 1 +ATOM 21922 C C . SER L 1 9 ? 39.931 128.537 89.887 1.00 22.75 ? ? ? ? ? ? 8 SER L C 1 +ATOM 21923 O O . SER L 1 9 ? 39.308 128.216 88.861 1.00 23.24 ? ? ? ? ? ? 8 SER L O 1 +ATOM 21924 C CB . SER L 1 9 ? 38.347 128.518 91.831 1.00 23.33 ? ? ? ? ? ? 8 SER L CB 1 +ATOM 21925 O OG . SER L 1 9 ? 37.992 127.824 93.017 1.00 26.29 ? ? ? ? ? ? 8 SER L OG 1 +ATOM 21926 N N . VAL L 1 10 ? 40.882 129.458 89.893 1.00 21.92 ? ? ? ? ? ? 9 VAL L N 1 +ATOM 21927 C CA . VAL L 1 10 ? 41.421 130.037 88.667 1.00 22.80 ? ? ? ? ? ? 9 VAL L CA 1 +ATOM 21928 C C . VAL L 1 10 ? 42.904 129.707 88.400 1.00 23.98 ? ? ? ? ? ? 9 VAL L C 1 +ATOM 21929 O O . VAL L 1 10 ? 43.423 130.049 87.330 1.00 27.57 ? ? ? ? ? ? 9 VAL L O 1 +ATOM 21930 C CB . VAL L 1 10 ? 41.206 131.579 88.614 1.00 21.83 ? ? ? ? ? ? 9 VAL L CB 1 +ATOM 21931 C CG1 . VAL L 1 10 ? 39.707 131.894 88.699 1.00 17.64 ? ? ? ? ? ? 9 VAL L CG1 1 +ATOM 21932 C CG2 . VAL L 1 10 ? 41.933 132.259 89.692 1.00 18.07 ? ? ? ? ? ? 9 VAL L CG2 1 +ATOM 21933 N N . SER L 1 11 ? 43.574 129.022 89.329 1.00 22.75 ? ? ? ? ? ? 10 SER L N 1 +ATOM 21934 C CA . SER L 1 11 ? 45.005 128.811 89.231 1.00 21.81 ? ? ? ? ? ? 10 SER L CA 1 +ATOM 21935 C C . SER L 1 11 ? 45.394 127.619 88.351 1.00 23.03 ? ? ? ? ? ? 10 SER L C 1 +ATOM 21936 O O . SER L 1 11 ? 44.575 126.764 88.040 1.00 22.51 ? ? ? ? ? ? 10 SER L O 1 +ATOM 21937 C CB . SER L 1 11 ? 45.618 128.660 90.618 1.00 23.03 ? ? ? ? ? ? 10 SER L CB 1 +ATOM 21938 O OG . SER L 1 11 ? 47.031 128.770 90.536 1.00 26.62 ? ? ? ? ? ? 10 SER L OG 1 +ATOM 21939 N N . CYS L 1 12 ? 46.686 127.571 88.010 1.00 23.00 ? ? ? ? ? ? 11 CYS L N 1 +ATOM 21940 C CA . CYS L 1 12 ? 47.307 126.489 87.290 1.00 23.20 ? ? ? ? ? ? 11 CYS L CA 1 +ATOM 21941 C C . CYS L 1 12 ? 48.667 126.186 87.912 1.00 23.30 ? ? ? ? ? ? 11 CYS L C 1 +ATOM 21942 O O . CYS L 1 12 ? 49.199 126.999 88.671 1.00 23.98 ? ? ? ? ? ? 11 CYS L O 1 +ATOM 21943 C CB . CYS L 1 12 ? 47.505 126.896 85.834 1.00 25.32 ? ? ? ? ? ? 11 CYS L CB 1 +ATOM 21944 S SG . CYS L 1 12 ? 48.454 128.433 85.699 1.00 26.44 ? ? ? ? ? ? 11 CYS L SG 1 +ATOM 21945 N N . LEU L 1 13 ? 49.219 125.019 87.592 1.00 23.72 ? ? ? ? ? ? 12 LEU L N 1 +ATOM 21946 C CA . LEU L 1 13 ? 50.424 124.524 88.261 1.00 23.95 ? ? ? ? ? ? 12 LEU L CA 1 +ATOM 21947 C C . LEU L 1 13 ? 51.619 125.422 88.025 1.00 25.58 ? ? ? ? ? ? 12 LEU L C 1 +ATOM 21948 O O . LEU L 1 13 ? 52.462 125.575 88.919 1.00 26.14 ? ? ? ? ? ? 12 LEU L O 1 +ATOM 21949 C CB . LEU L 1 13 ? 50.750 123.089 87.855 1.00 23.39 ? ? ? ? ? ? 12 LEU L CB 1 +ATOM 21950 C CG . LEU L 1 13 ? 52.070 122.445 88.339 1.00 24.36 ? ? ? ? ? ? 12 LEU L CG 1 +ATOM 21951 C CD1 . LEU L 1 13 ? 52.173 122.349 89.850 1.00 21.56 ? ? ? ? ? ? 12 LEU L CD1 1 +ATOM 21952 C CD2 . LEU L 1 13 ? 52.232 121.052 87.712 1.00 23.94 ? ? ? ? ? ? 12 LEU L CD2 1 +ATOM 21953 N N . GLY L 1 14 ? 51.708 126.007 86.832 1.00 26.36 ? ? ? ? ? ? 13 GLY L N 1 +ATOM 21954 C CA . GLY L 1 14 ? 52.805 126.926 86.525 1.00 26.78 ? ? ? ? ? ? 13 GLY L CA 1 +ATOM 21955 C C . GLY L 1 14 ? 52.873 128.138 87.437 1.00 28.22 ? ? ? ? ? ? 13 GLY L C 1 +ATOM 21956 O O . GLY L 1 14 ? 53.956 128.615 87.750 1.00 28.84 ? ? ? ? ? ? 13 GLY L O 1 +ATOM 21957 N N . LYS L 1 15 ? 51.720 128.640 87.880 1.00 29.06 ? ? ? ? ? ? 14 LYS L N 1 +ATOM 21958 C CA . LYS L 1 15 ? 51.675 129.805 88.756 1.00 30.17 ? ? ? ? ? ? 14 LYS L CA 1 +ATOM 21959 C C . LYS L 1 15 ? 51.967 129.409 90.202 1.00 30.87 ? ? ? ? ? ? 14 LYS L C 1 +ATOM 21960 O O . LYS L 1 15 ? 52.461 130.234 90.962 1.00 35.39 ? ? ? ? ? ? 14 LYS L O 1 +ATOM 21961 C CB . LYS L 1 15 ? 50.324 130.556 88.642 1.00 27.02 ? ? ? ? ? ? 14 LYS L CB 1 +ATOM 21962 N N . VAL L 1 16 ? 51.723 128.162 90.597 1.00 29.43 ? ? ? ? ? ? 15 VAL L N 1 +ATOM 21963 C CA . VAL L 1 16 ? 51.908 127.782 92.016 1.00 28.44 ? ? ? ? ? ? 15 VAL L CA 1 +ATOM 21964 C C . VAL L 1 16 ? 53.180 126.995 92.376 1.00 29.31 ? ? ? ? ? ? 15 VAL L C 1 +ATOM 21965 O O . VAL L 1 16 ? 53.593 127.025 93.548 1.00 27.67 ? ? ? ? ? ? 15 VAL L O 1 +ATOM 21966 C CB . VAL L 1 16 ? 50.704 126.958 92.573 1.00 28.09 ? ? ? ? ? ? 15 VAL L CB 1 +ATOM 21967 C CG1 . VAL L 1 16 ? 49.383 127.642 92.273 1.00 26.61 ? ? ? ? ? ? 15 VAL L CG1 1 +ATOM 21968 C CG2 . VAL L 1 16 ? 50.726 125.540 92.063 1.00 24.61 ? ? ? ? ? ? 15 VAL L CG2 1 +ATOM 21969 N N . LYS L 1 17 ? 53.787 126.294 91.409 1.00 30.98 ? ? ? ? ? ? 16 LYS L N 1 +ATOM 21970 C CA . LYS L 1 17 ? 54.826 125.268 91.700 1.00 34.84 ? ? ? ? ? ? 16 LYS L CA 1 +ATOM 21971 C C . LYS L 1 17 ? 56.140 125.770 92.340 1.00 35.03 ? ? ? ? ? ? 16 LYS L C 1 +ATOM 21972 O O . LYS L 1 17 ? 56.844 124.999 93.009 1.00 35.08 ? ? ? ? ? ? 16 LYS L O 1 +ATOM 21973 C CB . LYS L 1 17 ? 55.149 124.424 90.447 1.00 35.01 ? ? ? ? ? ? 16 LYS L CB 1 +ATOM 21974 C CG . LYS L 1 17 ? 55.868 125.174 89.334 1.00 38.06 ? ? ? ? ? ? 16 LYS L CG 1 +ATOM 21975 C CD . LYS L 1 17 ? 56.607 124.250 88.361 1.00 41.36 ? ? ? ? ? ? 16 LYS L CD 1 +ATOM 21976 C CE . LYS L 1 17 ? 57.636 125.077 87.515 1.00 50.33 ? ? ? ? ? ? 16 LYS L CE 1 +ATOM 21977 N NZ . LYS L 1 17 ? 57.682 124.700 86.055 1.00 56.07 ? ? ? ? ? ? 16 LYS L NZ 1 +ATOM 21978 N N . GLU L 1 18 ? 56.481 127.041 92.135 1.00 36.21 ? ? ? ? ? ? 17 GLU L N 1 +ATOM 21979 C CA . GLU L 1 18 ? 57.733 127.576 92.703 1.00 39.67 ? ? ? ? ? ? 17 GLU L CA 1 +ATOM 21980 C C . GLU L 1 18 ? 57.519 128.431 93.965 1.00 38.54 ? ? ? ? ? ? 17 GLU L C 1 +ATOM 21981 O O . GLU L 1 18 ? 58.480 128.984 94.504 1.00 39.21 ? ? ? ? ? ? 17 GLU L O 1 +ATOM 21982 C CB . GLU L 1 18 ? 58.502 128.386 91.655 1.00 40.70 ? ? ? ? ? ? 17 GLU L CB 1 +ATOM 21983 C CG . GLU L 1 18 ? 58.950 127.597 90.428 1.00 49.29 ? ? ? ? ? ? 17 GLU L CG 1 +ATOM 21984 C CD . GLU L 1 18 ? 59.811 126.364 90.747 1.00 55.74 ? ? ? ? ? ? 17 GLU L CD 1 +ATOM 21985 O OE1 . GLU L 1 18 ? 60.521 126.335 91.790 1.00 60.59 ? ? ? ? ? ? 17 GLU L OE1 1 +ATOM 21986 O OE2 . GLU L 1 18 ? 59.765 125.419 89.925 1.00 61.77 ? ? ? ? ? ? 17 GLU L OE2 1 +ATOM 21987 N N . LEU L 1 19 ? 56.272 128.532 94.435 1.00 35.67 ? ? ? ? ? ? 18 LEU L N 1 +ATOM 21988 C CA . LEU L 1 19 ? 55.946 129.371 95.586 1.00 32.80 ? ? ? ? ? ? 18 LEU L CA 1 +ATOM 21989 C C . LEU L 1 19 ? 55.757 128.493 96.830 1.00 31.87 ? ? ? ? ? ? 18 LEU L C 1 +ATOM 21990 O O . LEU L 1 19 ? 55.307 127.346 96.739 1.00 31.90 ? ? ? ? ? ? 18 LEU L O 1 +ATOM 21991 C CB . LEU L 1 19 ? 54.684 130.193 95.330 1.00 32.11 ? ? ? ? ? ? 18 LEU L CB 1 +ATOM 21992 C CG . LEU L 1 19 ? 54.564 131.009 94.046 1.00 30.41 ? ? ? ? ? ? 18 LEU L CG 1 +ATOM 21993 C CD1 . LEU L 1 19 ? 53.381 131.914 94.144 1.00 26.00 ? ? ? ? ? ? 18 LEU L CD1 1 +ATOM 21994 C CD2 . LEU L 1 19 ? 55.793 131.838 93.780 1.00 31.37 ? ? ? ? ? ? 18 LEU L CD2 1 +ATOM 21995 N N . LYS L 1 20 ? 56.119 129.059 97.985 1.00 30.82 ? ? ? ? ? ? 19 LYS L N 1 +ATOM 21996 C CA . LYS L 1 20 ? 55.936 128.422 99.299 1.00 29.62 ? ? ? ? ? ? 19 LYS L CA 1 +ATOM 21997 C C . LYS L 1 20 ? 54.559 128.822 99.845 1.00 26.74 ? ? ? ? ? ? 19 LYS L C 1 +ATOM 21998 O O . LYS L 1 20 ? 54.201 129.994 99.849 1.00 24.37 ? ? ? ? ? ? 19 LYS L O 1 +ATOM 21999 C CB . LYS L 1 20 ? 57.083 128.865 100.231 1.00 30.14 ? ? ? ? ? ? 19 LYS L CB 1 +ATOM 22000 C CG . LYS L 1 20 ? 56.951 128.488 101.691 1.00 38.60 ? ? ? ? ? ? 19 LYS L CG 1 +ATOM 22001 C CD . LYS L 1 20 ? 57.206 127.012 101.951 1.00 46.61 ? ? ? ? ? ? 19 LYS L CD 1 +ATOM 22002 C CE . LYS L 1 20 ? 57.276 126.758 103.464 1.00 54.18 ? ? ? ? ? ? 19 LYS L CE 1 +ATOM 22003 N NZ . LYS L 1 20 ? 56.151 127.426 104.217 1.00 54.46 ? ? ? ? ? ? 19 LYS L NZ 1 +ATOM 22004 N N . TYR L 1 21 ? 53.760 127.856 100.272 1.00 25.14 ? ? ? ? ? ? 20 TYR L N 1 +ATOM 22005 C CA . TYR L 1 21 ? 52.435 128.189 100.847 1.00 24.34 ? ? ? ? ? ? 20 TYR L CA 1 +ATOM 22006 C C . TYR L 1 21 ? 52.426 127.824 102.319 1.00 24.07 ? ? ? ? ? ? 20 TYR L C 1 +ATOM 22007 O O . TYR L 1 21 ? 52.951 126.793 102.701 1.00 26.33 ? ? ? ? ? ? 20 TYR L O 1 +ATOM 22008 C CB . TYR L 1 21 ? 51.304 127.500 100.106 1.00 22.92 ? ? ? ? ? ? 20 TYR L CB 1 +ATOM 22009 C CG . TYR L 1 21 ? 51.064 128.080 98.764 1.00 20.93 ? ? ? ? ? ? 20 TYR L CG 1 +ATOM 22010 C CD1 . TYR L 1 21 ? 51.770 127.639 97.666 1.00 20.42 ? ? ? ? ? ? 20 TYR L CD1 1 +ATOM 22011 C CD2 . TYR L 1 21 ? 50.121 129.072 98.582 1.00 19.90 ? ? ? ? ? ? 20 TYR L CD2 1 +ATOM 22012 C CE1 . TYR L 1 21 ? 51.566 128.203 96.417 1.00 23.91 ? ? ? ? ? ? 20 TYR L CE1 1 +ATOM 22013 C CE2 . TYR L 1 21 ? 49.916 129.634 97.353 1.00 18.90 ? ? ? ? ? ? 20 TYR L CE2 1 +ATOM 22014 C CZ . TYR L 1 21 ? 50.637 129.196 96.266 1.00 18.52 ? ? ? ? ? ? 20 TYR L CZ 1 +ATOM 22015 O OH . TYR L 1 21 ? 50.428 129.753 95.028 1.00 20.85 ? ? ? ? ? ? 20 TYR L OH 1 +ATOM 22016 N N . ASP L 1 22 ? 51.864 128.690 103.155 1.00 25.27 ? ? ? ? ? ? 21 ASP L N 1 +ATOM 22017 C CA . ASP L 1 22 ? 51.982 128.544 104.613 1.00 25.88 ? ? ? ? ? ? 21 ASP L CA 1 +ATOM 22018 C C . ASP L 1 22 ? 50.723 127.912 105.193 1.00 26.02 ? ? ? ? ? ? 21 ASP L C 1 +ATOM 22019 O O . ASP L 1 22 ? 50.802 126.988 106.009 1.00 27.61 ? ? ? ? ? ? 21 ASP L O 1 +ATOM 22020 C CB . ASP L 1 22 ? 52.244 129.903 105.248 1.00 26.38 ? ? ? ? ? ? 21 ASP L CB 1 +ATOM 22021 C CG . ASP L 1 22 ? 53.541 130.565 104.747 1.00 32.82 ? ? ? ? ? ? 21 ASP L CG 1 +ATOM 22022 O OD1 . ASP L 1 22 ? 54.624 129.982 105.003 1.00 35.74 ? ? ? ? ? ? 21 ASP L OD1 1 +ATOM 22023 O OD2 . ASP L 1 22 ? 53.479 131.675 104.128 1.00 32.51 ? ? ? ? ? ? 21 ASP L OD2 1 +ATOM 22024 N N . VAL L 1 23 ? 49.555 128.400 104.774 1.00 24.39 ? ? ? ? ? ? 22 VAL L N 1 +ATOM 22025 C CA . VAL L 1 23 ? 48.263 127.859 105.240 1.00 22.78 ? ? ? ? ? ? 22 VAL L CA 1 +ATOM 22026 C C . VAL L 1 23 ? 47.338 127.521 104.063 1.00 21.73 ? ? ? ? ? ? 22 VAL L C 1 +ATOM 22027 O O . VAL L 1 23 ? 47.431 128.135 103.005 1.00 19.92 ? ? ? ? ? ? 22 VAL L O 1 +ATOM 22028 C CB . VAL L 1 23 ? 47.561 128.833 106.206 1.00 23.72 ? ? ? ? ? ? 22 VAL L CB 1 +ATOM 22029 C CG1 . VAL L 1 23 ? 46.370 128.146 106.884 1.00 21.80 ? ? ? ? ? ? 22 VAL L CG1 1 +ATOM 22030 C CG2 . VAL L 1 23 ? 48.548 129.285 107.241 1.00 22.36 ? ? ? ? ? ? 22 VAL L CG2 1 +ATOM 22031 N N . ILE L 1 24 ? 46.496 126.505 104.244 1.00 19.81 ? ? ? ? ? ? 23 ILE L N 1 +ATOM 22032 C CA . ILE L 1 24 ? 45.491 126.143 103.277 1.00 18.24 ? ? ? ? ? ? 23 ILE L CA 1 +ATOM 22033 C C . ILE L 1 24 ? 44.159 126.564 103.864 1.00 18.14 ? ? ? ? ? ? 23 ILE L C 1 +ATOM 22034 O O . ILE L 1 24 ? 43.917 126.356 105.059 1.00 18.23 ? ? ? ? ? ? 23 ILE L O 1 +ATOM 22035 C CB . ILE L 1 24 ? 45.465 124.624 102.963 1.00 20.38 ? ? ? ? ? ? 23 ILE L CB 1 +ATOM 22036 C CG1 . ILE L 1 24 ? 46.870 124.110 102.577 1.00 22.17 ? ? ? ? ? ? 23 ILE L CG1 1 +ATOM 22037 C CG2 . ILE L 1 24 ? 44.453 124.282 101.834 1.00 13.29 ? ? ? ? ? ? 23 ILE L CG2 1 +ATOM 22038 C CD1 . ILE L 1 24 ? 47.459 124.700 101.296 1.00 21.29 ? ? ? ? ? ? 23 ILE L CD1 1 +ATOM 22039 N N . ILE L 1 25 ? 43.320 127.180 103.031 1.00 17.63 ? ? ? ? ? ? 24 ILE L N 1 +ATOM 22040 C CA . ILE L 1 25 ? 41.955 127.552 103.406 1.00 20.47 ? ? ? ? ? ? 24 ILE L CA 1 +ATOM 22041 C C . ILE L 1 25 ? 41.000 126.739 102.549 1.00 17.01 ? ? ? ? ? ? 24 ILE L C 1 +ATOM 22042 O O . ILE L 1 25 ? 41.102 126.748 101.334 1.00 17.37 ? ? ? ? ? ? 24 ILE L O 1 +ATOM 22043 C CB . ILE L 1 25 ? 41.628 129.069 103.215 1.00 19.69 ? ? ? ? ? ? 24 ILE L CB 1 +ATOM 22044 C CG1 . ILE L 1 25 ? 42.826 129.955 103.597 1.00 26.09 ? ? ? ? ? ? 24 ILE L CG1 1 +ATOM 22045 C CG2 . ILE L 1 25 ? 40.315 129.459 103.972 1.00 19.94 ? ? ? ? ? ? 24 ILE L CG2 1 +ATOM 22046 C CD1 . ILE L 1 25 ? 43.300 129.772 105.015 1.00 31.70 ? ? ? ? ? ? 24 ILE L CD1 1 +ATOM 22047 N N . LEU L 1 26 ? 40.082 126.049 103.212 1.00 17.15 ? ? ? ? ? ? 25 LEU L N 1 +ATOM 22048 C CA . LEU L 1 26 ? 39.056 125.258 102.562 1.00 17.94 ? ? ? ? ? ? 25 LEU L CA 1 +ATOM 22049 C C . LEU L 1 26 ? 37.686 125.896 102.818 1.00 17.78 ? ? ? ? ? ? 25 LEU L C 1 +ATOM 22050 O O . LEU L 1 26 ? 37.159 125.759 103.890 1.00 19.13 ? ? ? ? ? ? 25 LEU L O 1 +ATOM 22051 C CB . LEU L 1 26 ? 39.083 123.823 103.128 1.00 19.93 ? ? ? ? ? ? 25 LEU L CB 1 +ATOM 22052 C CG . LEU L 1 26 ? 38.102 122.799 102.552 1.00 17.03 ? ? ? ? ? ? 25 LEU L CG 1 +ATOM 22053 C CD1 . LEU L 1 26 ? 38.364 122.609 101.048 1.00 11.72 ? ? ? ? ? ? 25 LEU L CD1 1 +ATOM 22054 C CD2 . LEU L 1 26 ? 38.199 121.477 103.321 1.00 17.30 ? ? ? ? ? ? 25 LEU L CD2 1 +ATOM 22055 N N . PRO L 1 27 ? 37.123 126.619 101.838 1.00 18.52 ? ? ? ? ? ? 26 PRO L N 1 +ATOM 22056 C CA . PRO L 1 27 ? 35.749 127.067 101.989 1.00 18.78 ? ? ? ? ? ? 26 PRO L CA 1 +ATOM 22057 C C . PRO L 1 27 ? 34.853 125.850 101.957 1.00 18.66 ? ? ? ? ? ? 26 PRO L C 1 +ATOM 22058 O O . PRO L 1 27 ? 35.108 124.949 101.168 1.00 18.91 ? ? ? ? ? ? 26 PRO L O 1 +ATOM 22059 C CB . PRO L 1 27 ? 35.504 127.919 100.744 1.00 18.29 ? ? ? ? ? ? 26 PRO L CB 1 +ATOM 22060 C CG . PRO L 1 27 ? 36.862 128.198 100.175 1.00 17.92 ? ? ? ? ? ? 26 PRO L CG 1 +ATOM 22061 C CD . PRO L 1 27 ? 37.688 127.034 100.544 1.00 21.15 ? ? ? ? ? ? 26 PRO L CD 1 +ATOM 22062 N N . TRP L 1 28 ? 33.850 125.812 102.818 1.00 18.47 ? ? ? ? ? ? 27 TRP L N 1 +ATOM 22063 C CA . TRP L 1 28 ? 32.896 124.710 102.833 1.00 17.60 ? ? ? ? ? ? 27 TRP L CA 1 +ATOM 22064 C C . TRP L 1 28 ? 31.496 125.280 102.928 1.00 16.51 ? ? ? ? ? ? 27 TRP L C 1 +ATOM 22065 O O . TRP L 1 28 ? 31.158 125.948 103.896 1.00 17.01 ? ? ? ? ? ? 27 TRP L O 1 +ATOM 22066 C CB . TRP L 1 28 ? 33.182 123.748 103.983 1.00 17.72 ? ? ? ? ? ? 27 TRP L CB 1 +ATOM 22067 C CG . TRP L 1 28 ? 32.624 122.389 103.779 1.00 14.68 ? ? ? ? ? ? 27 TRP L CG 1 +ATOM 22068 C CD1 . TRP L 1 28 ? 31.344 122.057 103.400 1.00 18.11 ? ? ? ? ? ? 27 TRP L CD1 1 +ATOM 22069 C CD2 . TRP L 1 28 ? 33.317 121.163 103.940 1.00 13.70 ? ? ? ? ? ? 27 TRP L CD2 1 +ATOM 22070 N NE1 . TRP L 1 28 ? 31.207 120.701 103.309 1.00 14.41 ? ? ? ? ? ? 27 TRP L NE1 1 +ATOM 22071 C CE2 . TRP L 1 28 ? 32.402 120.122 103.662 1.00 15.72 ? ? ? ? ? ? 27 TRP L CE2 1 +ATOM 22072 C CE3 . TRP L 1 28 ? 34.632 120.829 104.304 1.00 16.07 ? ? ? ? ? ? 27 TRP L CE3 1 +ATOM 22073 C CZ2 . TRP L 1 28 ? 32.769 118.778 103.710 1.00 13.20 ? ? ? ? ? ? 27 TRP L CZ2 1 +ATOM 22074 C CZ3 . TRP L 1 28 ? 34.981 119.497 104.351 1.00 17.25 ? ? ? ? ? ? 27 TRP L CZ3 1 +ATOM 22075 C CH2 . TRP L 1 28 ? 34.044 118.487 104.070 1.00 14.48 ? ? ? ? ? ? 27 TRP L CH2 1 +ATOM 22076 N N . GLY L 1 29 ? 30.710 125.047 101.871 1.00 16.45 ? ? ? ? ? ? 28 GLY L N 1 +ATOM 22077 C CA . GLY L 1 29 ? 29.350 125.526 101.776 1.00 16.68 ? ? ? ? ? ? 28 GLY L CA 1 +ATOM 22078 C C . GLY L 1 29 ? 28.306 124.448 101.776 1.00 16.78 ? ? ? ? ? ? 28 GLY L C 1 +ATOM 22079 O O . GLY L 1 29 ? 28.344 123.500 102.567 1.00 16.57 ? ? ? ? ? ? 28 GLY L O 1 +ATOM 22080 N N . ALA L 1 30 ? 27.345 124.660 100.881 1.00 18.01 ? ? ? ? ? ? 29 ALA L N 1 +ATOM 22081 C CA . ALA L 1 30 ? 26.108 123.917 100.740 1.00 17.01 ? ? ? ? ? ? 29 ALA L CA 1 +ATOM 22082 C C . ALA L 1 30 ? 25.502 124.255 99.368 1.00 17.72 ? ? ? ? ? ? 29 ALA L C 1 +ATOM 22083 O O . ALA L 1 30 ? 25.819 125.287 98.775 1.00 18.09 ? ? ? ? ? ? 29 ALA L O 1 +ATOM 22084 C CB . ALA L 1 30 ? 25.153 124.250 101.879 1.00 15.44 ? ? ? ? ? ? 29 ALA L CB 1 +ATOM 22085 N N . THR L 1 31 ? 24.700 123.334 98.844 1.00 18.59 ? ? ? ? ? ? 30 THR L N 1 +ATOM 22086 C CA . THR L 1 31 ? 23.785 123.585 97.715 1.00 18.60 ? ? ? ? ? ? 30 THR L CA 1 +ATOM 22087 C C . THR L 1 31 ? 22.372 123.674 98.294 1.00 20.07 ? ? ? ? ? ? 30 THR L C 1 +ATOM 22088 O O . THR L 1 31 ? 21.772 122.676 98.683 1.00 18.86 ? ? ? ? ? ? 30 THR L O 1 +ATOM 22089 C CB . THR L 1 31 ? 23.859 122.456 96.670 1.00 20.71 ? ? ? ? ? ? 30 THR L CB 1 +ATOM 22090 O OG1 . THR L 1 31 ? 25.226 122.221 96.351 1.00 20.76 ? ? ? ? ? ? 30 THR L OG1 1 +ATOM 22091 C CG2 . THR L 1 31 ? 23.121 122.827 95.365 1.00 17.01 ? ? ? ? ? ? 30 THR L CG2 1 +ATOM 22092 N N . GLU L 1 32 ? 21.859 124.893 98.407 1.00 20.40 ? ? ? ? ? ? 31 GLU L N 1 +ATOM 22093 C CA . GLU L 1 32 ? 20.731 125.150 99.292 1.00 20.55 ? ? ? ? ? ? 31 GLU L CA 1 +ATOM 22094 C C . GLU L 1 32 ? 19.964 126.358 98.781 1.00 21.14 ? ? ? ? ? ? 31 GLU L C 1 +ATOM 22095 O O . GLU L 1 32 ? 20.564 127.383 98.471 1.00 21.12 ? ? ? ? ? ? 31 GLU L O 1 +ATOM 22096 C CB . GLU L 1 32 ? 21.252 125.444 100.712 1.00 20.54 ? ? ? ? ? ? 31 GLU L CB 1 +ATOM 22097 C CG . GLU L 1 32 ? 20.155 125.572 101.815 1.00 22.55 ? ? ? ? ? ? 31 GLU L CG 1 +ATOM 22098 C CD . GLU L 1 32 ? 20.741 126.011 103.164 1.00 24.42 ? ? ? ? ? ? 31 GLU L CD 1 +ATOM 22099 O OE1 . GLU L 1 32 ? 21.755 126.709 103.124 1.00 23.80 ? ? ? ? ? ? 31 GLU L OE1 1 +ATOM 22100 O OE2 . GLU L 1 32 ? 20.219 125.668 104.247 1.00 24.58 ? ? ? ? ? ? 31 GLU L OE2 1 +ATOM 22101 N N . PRO L 1 33 ? 18.626 126.239 98.687 1.00 22.58 ? ? ? ? ? ? 32 PRO L N 1 +ATOM 22102 C CA . PRO L 1 33 ? 17.769 127.398 98.466 1.00 22.33 ? ? ? ? ? ? 32 PRO L CA 1 +ATOM 22103 C C . PRO L 1 33 ? 17.982 128.438 99.552 1.00 21.39 ? ? ? ? ? ? 32 PRO L C 1 +ATOM 22104 O O . PRO L 1 33 ? 18.056 128.083 100.728 1.00 20.67 ? ? ? ? ? ? 32 PRO L O 1 +ATOM 22105 C CB . PRO L 1 33 ? 16.352 126.827 98.596 1.00 23.18 ? ? ? ? ? ? 32 PRO L CB 1 +ATOM 22106 C CG . PRO L 1 33 ? 16.471 125.419 98.299 1.00 24.26 ? ? ? ? ? ? 32 PRO L CG 1 +ATOM 22107 C CD . PRO L 1 33 ? 17.847 124.996 98.750 1.00 23.15 ? ? ? ? ? ? 32 PRO L CD 1 +ATOM 22108 N N . HIS L 1 34 ? 18.063 129.697 99.139 1.00 20.49 ? ? ? ? ? ? 33 HIS L N 1 +ATOM 22109 C CA . HIS L 1 34 ? 18.250 130.852 100.001 1.00 19.68 ? ? ? ? ? ? 33 HIS L CA 1 +ATOM 22110 C C . HIS L 1 34 ? 17.168 131.900 99.730 1.00 20.55 ? ? ? ? ? ? 33 HIS L C 1 +ATOM 22111 O O . HIS L 1 34 ? 17.403 132.813 98.958 1.00 18.47 ? ? ? ? ? ? 33 HIS L O 1 +ATOM 22112 C CB . HIS L 1 34 ? 19.604 131.466 99.696 1.00 19.37 ? ? ? ? ? ? 33 HIS L CB 1 +ATOM 22113 C CG . HIS L 1 34 ? 20.722 130.836 100.447 1.00 18.94 ? ? ? ? ? ? 33 HIS L CG 1 +ATOM 22114 N ND1 . HIS L 1 34 ? 21.229 129.599 100.124 1.00 21.55 ? ? ? ? ? ? 33 HIS L ND1 1 +ATOM 22115 C CD2 . HIS L 1 34 ? 21.444 131.283 101.500 1.00 19.97 ? ? ? ? ? ? 33 HIS L CD2 1 +ATOM 22116 C CE1 . HIS L 1 34 ? 22.213 129.305 100.958 1.00 20.12 ? ? ? ? ? ? 33 HIS L CE1 1 +ATOM 22117 N NE2 . HIS L 1 34 ? 22.355 130.308 101.807 1.00 22.74 ? ? ? ? ? ? 33 HIS L NE2 1 +ATOM 22118 N N . ASN L 1 35 ? 15.991 131.747 100.343 1.00 21.01 ? ? ? ? ? ? 34 ASN L N 1 +ATOM 22119 C CA . ASN L 1 35 ? 14.837 132.560 99.989 1.00 22.19 ? ? ? ? ? ? 34 ASN L CA 1 +ATOM 22120 C C . ASN L 1 35 ? 14.640 132.398 98.458 1.00 23.92 ? ? ? ? ? ? 34 ASN L C 1 +ATOM 22121 O O . ASN L 1 35 ? 15.087 131.407 97.857 1.00 24.27 ? ? ? ? ? ? 34 ASN L O 1 +ATOM 22122 C CB . ASN L 1 35 ? 15.109 134.019 100.404 1.00 22.76 ? ? ? ? ? ? 34 ASN L CB 1 +ATOM 22123 C CG . ASN L 1 35 ? 13.838 134.874 100.639 1.00 21.88 ? ? ? ? ? ? 34 ASN L CG 1 +ATOM 22124 O OD1 . ASN L 1 35 ? 13.003 135.043 99.754 1.00 21.66 ? ? ? ? ? ? 34 ASN L OD1 1 +ATOM 22125 N ND2 . ASN L 1 35 ? 13.742 135.460 101.815 1.00 22.19 ? ? ? ? ? ? 34 ASN L ND2 1 +ATOM 22126 N N . LEU L 1 36 ? 14.004 133.376 97.823 1.00 24.05 ? ? ? ? ? ? 35 LEU L N 1 +ATOM 22127 C CA . LEU L 1 36 ? 13.743 133.283 96.415 1.00 23.47 ? ? ? ? ? ? 35 LEU L CA 1 +ATOM 22128 C C . LEU L 1 36 ? 14.838 133.878 95.559 1.00 22.39 ? ? ? ? ? ? 35 LEU L C 1 +ATOM 22129 O O . LEU L 1 36 ? 14.891 133.561 94.381 1.00 24.77 ? ? ? ? ? ? 35 LEU L O 1 +ATOM 22130 C CB . LEU L 1 36 ? 12.395 133.923 96.099 1.00 22.56 ? ? ? ? ? ? 35 LEU L CB 1 +ATOM 22131 C CG . LEU L 1 36 ? 11.262 133.245 96.872 1.00 26.19 ? ? ? ? ? ? 35 LEU L CG 1 +ATOM 22132 C CD1 . LEU L 1 36 ? 9.974 134.113 96.865 1.00 22.33 ? ? ? ? ? ? 35 LEU L CD1 1 +ATOM 22133 C CD2 . LEU L 1 36 ? 11.037 131.806 96.344 1.00 22.82 ? ? ? ? ? ? 35 LEU L CD2 1 +ATOM 22134 N N . HIS L 1 37 ? 15.743 134.663 96.149 1.00 22.72 ? ? ? ? ? ? 36 HIS L N 1 +ATOM 22135 C CA . HIS L 1 37 ? 16.590 135.620 95.397 1.00 22.23 ? ? ? ? ? ? 36 HIS L CA 1 +ATOM 22136 C C . HIS L 1 37 ? 18.114 135.370 95.377 1.00 22.39 ? ? ? ? ? ? 36 HIS L C 1 +ATOM 22137 O O . HIS L 1 37 ? 18.832 135.862 94.482 1.00 22.79 ? ? ? ? ? ? 36 HIS L O 1 +ATOM 22138 C CB . HIS L 1 37 ? 16.339 137.030 95.939 1.00 23.13 ? ? ? ? ? ? 36 HIS L CB 1 +ATOM 22139 C CG . HIS L 1 37 ? 16.753 137.219 97.371 1.00 18.39 ? ? ? ? ? ? 36 HIS L CG 1 +ATOM 22140 N ND1 . HIS L 1 37 ? 16.291 136.420 98.388 1.00 20.40 ? ? ? ? ? ? 36 HIS L ND1 1 +ATOM 22141 C CD2 . HIS L 1 37 ? 17.595 138.107 97.948 1.00 19.89 ? ? ? ? ? ? 36 HIS L CD2 1 +ATOM 22142 C CE1 . HIS L 1 37 ? 16.820 136.814 99.536 1.00 21.94 ? ? ? ? ? ? 36 HIS L CE1 1 +ATOM 22143 N NE2 . HIS L 1 37 ? 17.622 137.829 99.296 1.00 21.54 ? ? ? ? ? ? 36 HIS L NE2 1 +ATOM 22144 N N . LEU L 1 38 ? 18.618 134.664 96.376 1.00 21.46 ? ? ? ? ? ? 37 LEU L N 1 +ATOM 22145 C CA . LEU L 1 38 ? 20.040 134.422 96.466 1.00 20.26 ? ? ? ? ? ? 37 LEU L CA 1 +ATOM 22146 C C . LEU L 1 38 ? 20.369 133.082 95.791 1.00 20.18 ? ? ? ? ? ? 37 LEU L C 1 +ATOM 22147 O O . LEU L 1 38 ? 19.540 132.174 95.772 1.00 19.91 ? ? ? ? ? ? 37 LEU L O 1 +ATOM 22148 C CB . LEU L 1 38 ? 20.479 134.415 97.933 1.00 20.68 ? ? ? ? ? ? 37 LEU L CB 1 +ATOM 22149 C CG . LEU L 1 38 ? 20.589 135.776 98.614 1.00 21.08 ? ? ? ? ? ? 37 LEU L CG 1 +ATOM 22150 C CD1 . LEU L 1 38 ? 20.805 135.634 100.112 1.00 17.20 ? ? ? ? ? ? 37 LEU L CD1 1 +ATOM 22151 C CD2 . LEU L 1 38 ? 21.709 136.551 97.980 1.00 20.69 ? ? ? ? ? ? 37 LEU L CD2 1 +ATOM 22152 N N . PRO L 1 39 ? 21.598 132.954 95.244 1.00 21.32 ? ? ? ? ? ? 38 PRO L N 1 +ATOM 22153 C CA . PRO L 1 39 ? 22.085 131.732 94.623 1.00 20.81 ? ? ? ? ? ? 38 PRO L CA 1 +ATOM 22154 C C . PRO L 1 39 ? 22.067 130.480 95.508 1.00 19.75 ? ? ? ? ? ? 38 PRO L C 1 +ATOM 22155 O O . PRO L 1 39 ? 22.266 130.553 96.715 1.00 18.79 ? ? ? ? ? ? 38 PRO L O 1 +ATOM 22156 C CB . PRO L 1 39 ? 23.510 132.083 94.266 1.00 21.79 ? ? ? ? ? ? 38 PRO L CB 1 +ATOM 22157 C CG . PRO L 1 39 ? 23.549 133.527 94.176 1.00 22.62 ? ? ? ? ? ? 38 PRO L CG 1 +ATOM 22158 C CD . PRO L 1 39 ? 22.592 134.035 95.147 1.00 21.15 ? ? ? ? ? ? 38 PRO L CD 1 +ATOM 22159 N N . TYR L 1 40 ? 21.838 129.340 94.878 1.00 19.33 ? ? ? ? ? ? 39 TYR L N 1 +ATOM 22160 C CA . TYR L 1 40 ? 21.913 128.044 95.541 1.00 19.00 ? ? ? ? ? ? 39 TYR L CA 1 +ATOM 22161 C C . TYR L 1 40 ? 23.294 127.829 96.112 1.00 18.12 ? ? ? ? ? ? 39 TYR L C 1 +ATOM 22162 O O . TYR L 1 40 ? 23.425 127.145 97.095 1.00 18.61 ? ? ? ? ? ? 39 TYR L O 1 +ATOM 22163 C CB . TYR L 1 40 ? 21.585 126.913 94.555 1.00 17.90 ? ? ? ? ? ? 39 TYR L CB 1 +ATOM 22164 C CG . TYR L 1 40 ? 20.120 126.603 94.374 1.00 18.72 ? ? ? ? ? ? 39 TYR L CG 1 +ATOM 22165 C CD1 . TYR L 1 40 ? 19.317 127.320 93.498 1.00 19.92 ? ? ? ? ? ? 39 TYR L CD1 1 +ATOM 22166 C CD2 . TYR L 1 40 ? 19.549 125.534 95.030 1.00 20.51 ? ? ? ? ? ? 39 TYR L CD2 1 +ATOM 22167 C CE1 . TYR L 1 40 ? 17.950 126.974 93.305 1.00 22.84 ? ? ? ? ? ? 39 TYR L CE1 1 +ATOM 22168 C CE2 . TYR L 1 40 ? 18.192 125.206 94.874 1.00 21.13 ? ? ? ? ? ? 39 TYR L CE2 1 +ATOM 22169 C CZ . TYR L 1 40 ? 17.404 125.898 94.006 1.00 20.63 ? ? ? ? ? ? 39 TYR L CZ 1 +ATOM 22170 O OH . TYR L 1 40 ? 16.064 125.526 93.902 1.00 22.65 ? ? ? ? ? ? 39 TYR L OH 1 +ATOM 22171 N N . LEU L 1 41 ? 24.319 128.437 95.502 1.00 18.20 ? ? ? ? ? ? 40 LEU L N 1 +ATOM 22172 C CA . LEU L 1 41 ? 25.702 128.289 95.966 1.00 17.61 ? ? ? ? ? ? 40 LEU L CA 1 +ATOM 22173 C C . LEU L 1 41 ? 26.210 129.431 96.866 1.00 18.14 ? ? ? ? ? ? 40 LEU L C 1 +ATOM 22174 O O . LEU L 1 41 ? 27.406 129.530 97.078 1.00 18.36 ? ? ? ? ? ? 40 LEU L O 1 +ATOM 22175 C CB . LEU L 1 41 ? 26.668 128.095 94.771 1.00 17.74 ? ? ? ? ? ? 40 LEU L CB 1 +ATOM 22176 C CG . LEU L 1 41 ? 26.596 126.769 93.999 1.00 20.30 ? ? ? ? ? ? 40 LEU L CG 1 +ATOM 22177 C CD1 . LEU L 1 41 ? 27.621 126.788 92.863 1.00 21.11 ? ? ? ? ? ? 40 LEU L CD1 1 +ATOM 22178 C CD2 . LEU L 1 41 ? 26.844 125.590 94.901 1.00 18.90 ? ? ? ? ? ? 40 LEU L CD2 1 +ATOM 22179 N N . THR L 1 42 ? 25.303 130.260 97.407 1.00 19.15 ? ? ? ? ? ? 41 THR L N 1 +ATOM 22180 C CA . THR L 1 42 ? 25.653 131.341 98.341 1.00 18.46 ? ? ? ? ? ? 41 THR L CA 1 +ATOM 22181 C C . THR L 1 42 ? 26.671 130.924 99.401 1.00 18.76 ? ? ? ? ? ? 41 THR L C 1 +ATOM 22182 O O . THR L 1 42 ? 27.655 131.626 99.637 1.00 18.41 ? ? ? ? ? ? 41 THR L O 1 +ATOM 22183 C CB . THR L 1 42 ? 24.379 131.880 99.071 1.00 20.56 ? ? ? ? ? ? 41 THR L CB 1 +ATOM 22184 O OG1 . THR L 1 42 ? 23.520 132.509 98.133 1.00 17.08 ? ? ? ? ? ? 41 THR L OG1 1 +ATOM 22185 C CG2 . THR L 1 42 ? 24.711 132.895 100.176 1.00 15.56 ? ? ? ? ? ? 41 THR L CG2 1 +ATOM 22186 N N . ASP L 1 43 ? 26.474 129.760 100.015 1.00 19.58 ? ? ? ? ? ? 42 ASP L N 1 +ATOM 22187 C CA . ASP L 1 43 ? 27.356 129.331 101.120 1.00 18.00 ? ? ? ? ? ? 42 ASP L CA 1 +ATOM 22188 C C . ASP L 1 43 ? 28.722 128.875 100.686 1.00 18.19 ? ? ? ? ? ? 42 ASP L C 1 +ATOM 22189 O O . ASP L 1 43 ? 29.592 128.715 101.528 1.00 18.17 ? ? ? ? ? ? 42 ASP L O 1 +ATOM 22190 C CB . ASP L 1 43 ? 26.695 128.222 101.932 1.00 20.11 ? ? ? ? ? ? 42 ASP L CB 1 +ATOM 22191 C CG . ASP L 1 43 ? 25.464 128.684 102.631 1.00 17.72 ? ? ? ? ? ? 42 ASP L CG 1 +ATOM 22192 O OD1 . ASP L 1 43 ? 25.160 129.891 102.568 1.00 18.70 ? ? ? ? ? ? 42 ASP L OD1 1 +ATOM 22193 O OD2 . ASP L 1 43 ? 24.773 127.841 103.235 1.00 19.27 ? ? ? ? ? ? 42 ASP L OD2 1 +ATOM 22194 N N . CYS L 1 44 ? 28.906 128.654 99.386 1.00 18.13 ? ? ? ? ? ? 43 CYS L N 1 +ATOM 22195 C CA . CYS L 1 44 ? 30.230 128.391 98.809 1.00 20.23 ? ? ? ? ? ? 43 CYS L CA 1 +ATOM 22196 C C . CYS L 1 44 ? 30.941 129.700 98.428 1.00 19.41 ? ? ? ? ? ? 43 CYS L C 1 +ATOM 22197 O O . CYS L 1 44 ? 32.109 129.919 98.752 1.00 19.05 ? ? ? ? ? ? 43 CYS L O 1 +ATOM 22198 C CB . CYS L 1 44 ? 30.083 127.529 97.540 1.00 21.03 ? ? ? ? ? ? 43 CYS L CB 1 +ATOM 22199 S SG . CYS L 1 44 ? 29.591 125.789 97.891 1.00 26.06 ? ? ? ? ? ? 43 CYS L SG 1 +ATOM 22200 N N . ILE L 1 45 ? 30.196 130.542 97.724 1.00 18.59 ? ? ? ? ? ? 44 ILE L N 1 +ATOM 22201 C CA . ILE L 1 45 ? 30.713 131.733 97.084 1.00 18.79 ? ? ? ? ? ? 44 ILE L CA 1 +ATOM 22202 C C . ILE L 1 45 ? 31.198 132.749 98.115 1.00 19.59 ? ? ? ? ? ? 44 ILE L C 1 +ATOM 22203 O O . ILE L 1 45 ? 32.243 133.357 97.930 1.00 20.35 ? ? ? ? ? ? 44 ILE L O 1 +ATOM 22204 C CB . ILE L 1 45 ? 29.626 132.423 96.264 1.00 17.65 ? ? ? ? ? ? 44 ILE L CB 1 +ATOM 22205 C CG1 . ILE L 1 45 ? 29.181 131.547 95.088 1.00 22.17 ? ? ? ? ? ? 44 ILE L CG1 1 +ATOM 22206 C CG2 . ILE L 1 45 ? 30.114 133.763 95.715 1.00 17.13 ? ? ? ? ? ? 44 ILE L CG2 1 +ATOM 22207 C CD1 . ILE L 1 45 ? 27.805 132.002 94.514 1.00 18.67 ? ? ? ? ? ? 44 ILE L CD1 1 +ATOM 22208 N N . LEU L 1 46 ? 30.431 132.924 99.184 1.00 18.87 ? ? ? ? ? ? 45 LEU L N 1 +ATOM 22209 C CA . LEU L 1 46 ? 30.765 133.909 100.210 1.00 19.33 ? ? ? ? ? ? 45 LEU L CA 1 +ATOM 22210 C C . LEU L 1 46 ? 32.050 133.595 100.991 1.00 18.36 ? ? ? ? ? ? 45 LEU L C 1 +ATOM 22211 O O . LEU L 1 46 ? 32.945 134.448 101.035 1.00 18.38 ? ? ? ? ? ? 45 LEU L O 1 +ATOM 22212 C CB . LEU L 1 46 ? 29.557 134.149 101.142 1.00 18.90 ? ? ? ? ? ? 45 LEU L CB 1 +ATOM 22213 C CG . LEU L 1 46 ? 28.320 134.801 100.490 1.00 20.59 ? ? ? ? ? ? 45 LEU L CG 1 +ATOM 22214 C CD1 . LEU L 1 46 ? 27.320 135.321 101.541 1.00 16.98 ? ? ? ? ? ? 45 LEU L CD1 1 +ATOM 22215 C CD2 . LEU L 1 46 ? 28.725 135.913 99.517 1.00 18.83 ? ? ? ? ? ? 45 LEU L CD2 1 +ATOM 22216 N N . PRO L 1 47 ? 32.154 132.392 101.621 1.00 18.72 ? ? ? ? ? ? 46 PRO L N 1 +ATOM 22217 C CA . PRO L 1 47 ? 33.452 132.096 102.256 1.00 18.36 ? ? ? ? ? ? 46 PRO L CA 1 +ATOM 22218 C C . PRO L 1 47 ? 34.602 132.049 101.271 1.00 18.52 ? ? ? ? ? ? 46 PRO L C 1 +ATOM 22219 O O . PRO L 1 47 ? 35.718 132.330 101.644 1.00 20.74 ? ? ? ? ? ? 46 PRO L O 1 +ATOM 22220 C CB . PRO L 1 47 ? 33.249 130.724 102.890 1.00 19.29 ? ? ? ? ? ? 46 PRO L CB 1 +ATOM 22221 C CG . PRO L 1 47 ? 32.058 130.132 102.219 1.00 18.44 ? ? ? ? ? ? 46 PRO L CG 1 +ATOM 22222 C CD . PRO L 1 47 ? 31.176 131.320 101.892 1.00 18.07 ? ? ? ? ? ? 46 PRO L CD 1 +ATOM 22223 N N . HIS L 1 48 ? 34.335 131.726 100.019 1.00 19.60 ? ? ? ? ? ? 47 HIS L N 1 +ATOM 22224 C CA . HIS L 1 48 ? 35.390 131.736 99.034 1.00 20.99 ? ? ? ? ? ? 47 HIS L CA 1 +ATOM 22225 C C . HIS L 1 48 ? 35.925 133.129 98.793 1.00 19.70 ? ? ? ? ? ? 47 HIS L C 1 +ATOM 22226 O O . HIS L 1 48 ? 37.123 133.344 98.788 1.00 19.21 ? ? ? ? ? ? 47 HIS L O 1 +ATOM 22227 C CB . HIS L 1 48 ? 34.914 131.175 97.701 1.00 22.41 ? ? ? ? ? ? 47 HIS L CB 1 +ATOM 22228 C CG . HIS L 1 48 ? 35.912 131.340 96.597 1.00 19.41 ? ? ? ? ? ? 47 HIS L CG 1 +ATOM 22229 N ND1 . HIS L 1 48 ? 35.944 132.452 95.781 1.00 27.43 ? ? ? ? ? ? 47 HIS L ND1 1 +ATOM 22230 C CD2 . HIS L 1 48 ? 36.917 130.537 96.177 1.00 21.96 ? ? ? ? ? ? 47 HIS L CD2 1 +ATOM 22231 C CE1 . HIS L 1 48 ? 36.921 132.325 94.903 1.00 23.24 ? ? ? ? ? ? 47 HIS L CE1 1 +ATOM 22232 N NE2 . HIS L 1 48 ? 37.533 131.176 95.126 1.00 25.59 ? ? ? ? ? ? 47 HIS L NE2 1 +ATOM 22233 N N . ASP L 1 49 ? 35.023 134.061 98.524 1.00 21.10 ? ? ? ? ? ? 48 ASP L N 1 +ATOM 22234 C CA . ASP L 1 49 ? 35.396 135.447 98.228 1.00 21.19 ? ? ? ? ? ? 48 ASP L CA 1 +ATOM 22235 C C . ASP L 1 49 ? 36.040 136.128 99.425 1.00 20.55 ? ? ? ? ? ? 48 ASP L C 1 +ATOM 22236 O O . ASP L 1 49 ? 37.065 136.771 99.303 1.00 22.19 ? ? ? ? ? ? 48 ASP L O 1 +ATOM 22237 C CB . ASP L 1 49 ? 34.157 136.208 97.720 1.00 21.97 ? ? ? ? ? ? 48 ASP L CB 1 +ATOM 22238 C CG . ASP L 1 49 ? 33.779 135.815 96.275 1.00 23.05 ? ? ? ? ? ? 48 ASP L CG 1 +ATOM 22239 O OD1 . ASP L 1 49 ? 34.305 134.825 95.716 1.00 33.23 ? ? ? ? ? ? 48 ASP L OD1 1 +ATOM 22240 O OD2 . ASP L 1 49 ? 32.988 136.520 95.670 1.00 30.59 ? ? ? ? ? ? 48 ASP L OD2 1 +ATOM 22241 N N . ILE L 1 50 ? 35.489 135.935 100.604 1.00 19.87 ? ? ? ? ? ? 49 ILE L N 1 +ATOM 22242 C CA . ILE L 1 50 ? 36.101 136.457 101.815 1.00 18.64 ? ? ? ? ? ? 49 ILE L CA 1 +ATOM 22243 C C . ILE L 1 50 ? 37.503 135.885 102.042 1.00 19.58 ? ? ? ? ? ? 49 ILE L C 1 +ATOM 22244 O O . ILE L 1 50 ? 38.432 136.617 102.371 1.00 20.18 ? ? ? ? ? ? 49 ILE L O 1 +ATOM 22245 C CB . ILE L 1 50 ? 35.225 136.153 103.025 1.00 18.93 ? ? ? ? ? ? 49 ILE L CB 1 +ATOM 22246 C CG1 . ILE L 1 50 ? 33.907 136.968 102.909 1.00 18.22 ? ? ? ? ? ? 49 ILE L CG1 1 +ATOM 22247 C CG2 . ILE L 1 50 ? 36.004 136.453 104.343 1.00 20.88 ? ? ? ? ? ? 49 ILE L CG2 1 +ATOM 22248 C CD1 . ILE L 1 50 ? 32.827 136.602 103.859 1.00 20.34 ? ? ? ? ? ? 49 ILE L CD1 1 +ATOM 22249 N N . ALA L 1 51 ? 37.636 134.573 101.881 1.00 19.76 ? ? ? ? ? ? 50 ALA L N 1 +ATOM 22250 C CA . ALA L 1 51 ? 38.903 133.864 102.111 1.00 19.78 ? ? ? ? ? ? 50 ALA L CA 1 +ATOM 22251 C C . ALA L 1 51 ? 40.001 134.327 101.147 1.00 19.14 ? ? ? ? ? ? 50 ALA L C 1 +ATOM 22252 O O . ALA L 1 51 ? 41.125 134.562 101.580 1.00 20.34 ? ? ? ? ? ? 50 ALA L O 1 +ATOM 22253 C CB . ALA L 1 51 ? 38.678 132.365 102.040 1.00 18.07 ? ? ? ? ? ? 50 ALA L CB 1 +ATOM 22254 N N . VAL L 1 52 ? 39.669 134.521 99.867 1.00 19.76 ? ? ? ? ? ? 51 VAL L N 1 +ATOM 22255 C CA . VAL L 1 52 ? 40.616 135.134 98.846 1.00 20.40 ? ? ? ? ? ? 51 VAL L CA 1 +ATOM 22256 C C . VAL L 1 52 ? 41.044 136.570 99.206 1.00 20.98 ? ? ? ? ? ? 51 VAL L C 1 +ATOM 22257 O O . VAL L 1 52 ? 42.222 136.926 99.128 1.00 21.15 ? ? ? ? ? ? 51 VAL L O 1 +ATOM 22258 C CB . VAL L 1 52 ? 39.997 135.101 97.409 1.00 22.49 ? ? ? ? ? ? 51 VAL L CB 1 +ATOM 22259 C CG1 . VAL L 1 52 ? 40.707 135.993 96.450 1.00 17.43 ? ? ? ? ? ? 51 VAL L CG1 1 +ATOM 22260 C CG2 . VAL L 1 52 ? 39.951 133.666 96.885 1.00 17.05 ? ? ? ? ? ? 51 VAL L CG2 1 +ATOM 22261 N N . GLU L 1 53 ? 40.108 137.395 99.645 1.00 21.95 ? ? ? ? ? ? 52 GLU L N 1 +ATOM 22262 C CA . GLU L 1 53 ? 40.444 138.746 100.099 1.00 22.94 ? ? ? ? ? ? 52 GLU L CA 1 +ATOM 22263 C C . GLU L 1 53 ? 41.394 138.681 101.301 1.00 21.65 ? ? ? ? ? ? 52 GLU L C 1 +ATOM 22264 O O . GLU L 1 53 ? 42.386 139.412 101.368 1.00 22.71 ? ? ? ? ? ? 52 GLU L O 1 +ATOM 22265 C CB . GLU L 1 53 ? 39.168 139.524 100.471 1.00 22.46 ? ? ? ? ? ? 52 GLU L CB 1 +ATOM 22266 C CG . GLU L 1 53 ? 38.772 140.624 99.499 1.00 33.60 ? ? ? ? ? ? 52 GLU L CG 1 +ATOM 22267 C CD . GLU L 1 53 ? 37.683 141.537 100.077 1.00 28.05 ? ? ? ? ? ? 52 GLU L CD 1 +ATOM 22268 O OE1 . GLU L 1 53 ? 36.543 141.093 100.142 1.00 31.08 ? ? ? ? ? ? 52 GLU L OE1 1 +ATOM 22269 O OE2 . GLU L 1 53 ? 37.963 142.680 100.487 1.00 45.40 ? ? ? ? ? ? 52 GLU L OE2 1 +ATOM 22270 N N . ALA L 1 54 ? 41.096 137.803 102.244 1.00 20.49 ? ? ? ? ? ? 53 ALA L N 1 +ATOM 22271 C CA . ALA L 1 54 ? 41.899 137.675 103.433 1.00 19.07 ? ? ? ? ? ? 53 ALA L CA 1 +ATOM 22272 C C . ALA L 1 54 ? 43.283 137.162 103.118 1.00 20.09 ? ? ? ? ? ? 53 ALA L C 1 +ATOM 22273 O O . ALA L 1 54 ? 44.243 137.603 103.731 1.00 20.40 ? ? ? ? ? ? 53 ALA L O 1 +ATOM 22274 C CB . ALA L 1 54 ? 41.206 136.793 104.464 1.00 18.48 ? ? ? ? ? ? 53 ALA L CB 1 +ATOM 22275 N N . ALA L 1 55 ? 43.387 136.237 102.164 1.00 20.38 ? ? ? ? ? ? 54 ALA L N 1 +ATOM 22276 C CA . ALA L 1 55 ? 44.698 135.733 101.729 1.00 21.04 ? ? ? ? ? ? 54 ALA L CA 1 +ATOM 22277 C C . ALA L 1 55 ? 45.494 136.806 101.022 1.00 20.65 ? ? ? ? ? ? 54 ALA L C 1 +ATOM 22278 O O . ALA L 1 55 ? 46.688 136.924 101.246 1.00 21.58 ? ? ? ? ? ? 54 ALA L O 1 +ATOM 22279 C CB . ALA L 1 55 ? 44.561 134.477 100.845 1.00 16.77 ? ? ? ? ? ? 54 ALA L CB 1 +ATOM 22280 N N . GLU L 1 56 ? 44.837 137.584 100.174 1.00 22.23 ? ? ? ? ? ? 55 GLU L N 1 +ATOM 22281 C CA . GLU L 1 56 ? 45.484 138.714 99.505 1.00 24.20 ? ? ? ? ? ? 55 GLU L CA 1 +ATOM 22282 C C . GLU L 1 56 ? 46.027 139.740 100.504 1.00 23.83 ? ? ? ? ? ? 55 GLU L C 1 +ATOM 22283 O O . GLU L 1 56 ? 47.133 140.279 100.341 1.00 23.91 ? ? ? ? ? ? 55 GLU L O 1 +ATOM 22284 C CB . GLU L 1 56 ? 44.504 139.410 98.563 1.00 22.76 ? ? ? ? ? ? 55 GLU L CB 1 +ATOM 22285 C CG . GLU L 1 56 ? 44.218 138.610 97.336 1.00 25.71 ? ? ? ? ? ? 55 GLU L CG 1 +ATOM 22286 C CD . GLU L 1 56 ? 43.112 139.204 96.440 1.00 29.13 ? ? ? ? ? ? 55 GLU L CD 1 +ATOM 22287 O OE1 . GLU L 1 56 ? 42.193 139.851 96.983 1.00 34.97 ? ? ? ? ? ? 55 GLU L OE1 1 +ATOM 22288 O OE2 . GLU L 1 56 ? 43.153 138.975 95.186 1.00 37.18 ? ? ? ? ? ? 55 GLU L OE2 1 +ATOM 22289 N N . LEU L 1 57 ? 45.240 140.020 101.529 1.00 23.51 ? ? ? ? ? ? 56 LEU L N 1 +ATOM 22290 C CA . LEU L 1 57 ? 45.677 140.922 102.573 1.00 23.60 ? ? ? ? ? ? 56 LEU L CA 1 +ATOM 22291 C C . LEU L 1 57 ? 46.873 140.322 103.339 1.00 24.76 ? ? ? ? ? ? 56 LEU L C 1 +ATOM 22292 O O . LEU L 1 57 ? 47.855 140.994 103.524 1.00 25.70 ? ? ? ? ? ? 56 LEU L O 1 +ATOM 22293 C CB . LEU L 1 57 ? 44.505 141.258 103.506 1.00 23.19 ? ? ? ? ? ? 56 LEU L CB 1 +ATOM 22294 C CG . LEU L 1 57 ? 44.784 142.182 104.694 1.00 27.06 ? ? ? ? ? ? 56 LEU L CG 1 +ATOM 22295 C CD1 . LEU L 1 57 ? 45.401 143.543 104.189 1.00 26.44 ? ? ? ? ? ? 56 LEU L CD1 1 +ATOM 22296 C CD2 . LEU L 1 57 ? 43.486 142.385 105.527 1.00 21.83 ? ? ? ? ? ? 56 LEU L CD2 1 +ATOM 22297 N N . ALA L 1 58 ? 46.782 139.059 103.774 1.00 24.71 ? ? ? ? ? ? 57 ALA L N 1 +ATOM 22298 C CA . ALA L 1 58 ? 47.874 138.460 104.531 1.00 24.05 ? ? ? ? ? ? 57 ALA L CA 1 +ATOM 22299 C C . ALA L 1 58 ? 49.162 138.459 103.727 1.00 25.04 ? ? ? ? ? ? 57 ALA L C 1 +ATOM 22300 O O . ALA L 1 58 ? 50.232 138.621 104.311 1.00 26.76 ? ? ? ? ? ? 57 ALA L O 1 +ATOM 22301 C CB . ALA L 1 58 ? 47.538 137.047 105.010 1.00 24.83 ? ? ? ? ? ? 57 ALA L CB 1 +ATOM 22302 N N . LEU L 1 59 ? 49.079 138.272 102.413 1.00 24.98 ? ? ? ? ? ? 58 LEU L N 1 +ATOM 22303 C CA . LEU L 1 59 ? 50.277 138.176 101.575 1.00 26.01 ? ? ? ? ? ? 58 LEU L CA 1 +ATOM 22304 C C . LEU L 1 59 ? 50.954 139.545 101.402 1.00 27.29 ? ? ? ? ? ? 58 LEU L C 1 +ATOM 22305 O O . LEU L 1 59 ? 52.194 139.640 101.510 1.00 27.52 ? ? ? ? ? ? 58 LEU L O 1 +ATOM 22306 C CB . LEU L 1 59 ? 49.953 137.569 100.192 1.00 26.08 ? ? ? ? ? ? 58 LEU L CB 1 +ATOM 22307 C CG . LEU L 1 59 ? 51.079 137.439 99.149 1.00 26.48 ? ? ? ? ? ? 58 LEU L CG 1 +ATOM 22308 C CD1 . LEU L 1 59 ? 52.286 136.595 99.603 1.00 24.73 ? ? ? ? ? ? 58 LEU L CD1 1 +ATOM 22309 C CD2 . LEU L 1 59 ? 50.520 136.849 97.880 1.00 26.86 ? ? ? ? ? ? 58 LEU L CD2 1 +ATOM 22310 N N . SER L 1 60 ? 50.142 140.576 101.127 1.00 27.99 ? ? ? ? ? ? 59 SER L N 1 +ATOM 22311 C CA . SER L 1 60 ? 50.641 141.938 100.916 1.00 31.29 ? ? ? ? ? ? 59 SER L CA 1 +ATOM 22312 C C . SER L 1 60 ? 51.188 142.554 102.195 1.00 32.17 ? ? ? ? ? ? 59 SER L C 1 +ATOM 22313 O O . SER L 1 60 ? 52.192 143.265 102.175 1.00 34.52 ? ? ? ? ? ? 59 SER L O 1 +ATOM 22314 C CB . SER L 1 60 ? 49.545 142.837 100.342 1.00 32.00 ? ? ? ? ? ? 59 SER L CB 1 +ATOM 22315 O OG . SER L 1 60 ? 48.478 143.011 101.252 1.00 40.34 ? ? ? ? ? ? 59 SER L OG 1 +ATOM 22316 N N . ARG L 1 61 ? 50.526 142.265 103.305 1.00 32.02 ? ? ? ? ? ? 60 ARG L N 1 +ATOM 22317 C CA . ARG L 1 61 ? 50.846 142.854 104.589 1.00 32.17 ? ? ? ? ? ? 60 ARG L CA 1 +ATOM 22318 C C . ARG L 1 61 ? 52.025 142.127 105.256 1.00 31.90 ? ? ? ? ? ? 60 ARG L C 1 +ATOM 22319 O O . ARG L 1 61 ? 52.910 142.768 105.825 1.00 33.00 ? ? ? ? ? ? 60 ARG L O 1 +ATOM 22320 C CB . ARG L 1 61 ? 49.591 142.784 105.459 1.00 31.44 ? ? ? ? ? ? 60 ARG L CB 1 +ATOM 22321 C CG . ARG L 1 61 ? 49.769 143.066 106.905 1.00 36.12 ? ? ? ? ? ? 60 ARG L CG 1 +ATOM 22322 C CD . ARG L 1 61 ? 48.451 143.444 107.556 1.00 36.04 ? ? ? ? ? ? 60 ARG L CD 1 +ATOM 22323 N NE . ARG L 1 61 ? 47.749 142.291 108.124 1.00 36.73 ? ? ? ? ? ? 60 ARG L NE 1 +ATOM 22324 C CZ . ARG L 1 61 ? 46.574 142.374 108.734 1.00 33.18 ? ? ? ? ? ? 60 ARG L CZ 1 +ATOM 22325 N NH1 . ARG L 1 61 ? 45.953 143.541 108.825 1.00 36.12 ? ? ? ? ? ? 60 ARG L NH1 1 +ATOM 22326 N NH2 . ARG L 1 61 ? 46.012 141.292 109.242 1.00 36.48 ? ? ? ? ? ? 60 ARG L NH2 1 +ATOM 22327 N N . SER L 1 62 ? 52.048 140.800 105.184 1.00 30.94 ? ? ? ? ? ? 61 SER L N 1 +ATOM 22328 C CA . SER L 1 62 ? 53.011 140.002 105.955 1.00 31.70 ? ? ? ? ? ? 61 SER L CA 1 +ATOM 22329 C C . SER L 1 62 ? 53.949 139.126 105.151 1.00 29.52 ? ? ? ? ? ? 61 SER L C 1 +ATOM 22330 O O . SER L 1 62 ? 54.926 138.600 105.711 1.00 29.18 ? ? ? ? ? ? 61 SER L O 1 +ATOM 22331 C CB . SER L 1 62 ? 52.271 139.106 106.950 1.00 34.17 ? ? ? ? ? ? 61 SER L CB 1 +ATOM 22332 O OG . SER L 1 62 ? 51.746 139.886 108.017 1.00 41.97 ? ? ? ? ? ? 61 SER L OG 1 +ATOM 22333 N N . GLY L 1 63 ? 53.647 138.924 103.869 1.00 28.33 ? ? ? ? ? ? 62 GLY L N 1 +ATOM 22334 C CA . GLY L 1 63 ? 54.331 137.912 103.077 1.00 28.28 ? ? ? ? ? ? 62 GLY L CA 1 +ATOM 22335 C C . GLY L 1 63 ? 53.903 136.483 103.393 1.00 28.26 ? ? ? ? ? ? 62 GLY L C 1 +ATOM 22336 O O . GLY L 1 63 ? 54.537 135.533 102.922 1.00 29.85 ? ? ? ? ? ? 62 GLY L O 1 +ATOM 22337 N N . VAL L 1 64 ? 52.817 136.328 104.159 1.00 27.49 ? ? ? ? ? ? 63 VAL L N 1 +ATOM 22338 C CA . VAL L 1 64 ? 52.271 135.015 104.472 1.00 25.96 ? ? ? ? ? ? 63 VAL L CA 1 +ATOM 22339 C C . VAL L 1 64 ? 51.397 134.592 103.296 1.00 25.23 ? ? ? ? ? ? 63 VAL L C 1 +ATOM 22340 O O . VAL L 1 64 ? 50.431 135.274 102.987 1.00 24.40 ? ? ? ? ? ? 63 VAL L O 1 +ATOM 22341 C CB . VAL L 1 64 ? 51.464 135.042 105.802 1.00 28.48 ? ? ? ? ? ? 63 VAL L CB 1 +ATOM 22342 C CG1 . VAL L 1 64 ? 50.779 133.686 106.082 1.00 22.00 ? ? ? ? ? ? 63 VAL L CG1 1 +ATOM 22343 C CG2 . VAL L 1 64 ? 52.398 135.443 107.001 1.00 25.94 ? ? ? ? ? ? 63 VAL L CG2 1 +ATOM 22344 N N . ARG L 1 65 ? 51.743 133.479 102.632 1.00 24.29 ? ? ? ? ? ? 64 ARG L N 1 +ATOM 22345 C CA . ARG L 1 65 ? 51.021 133.057 101.428 1.00 23.57 ? ? ? ? ? ? 64 ARG L CA 1 +ATOM 22346 C C . ARG L 1 65 ? 50.133 131.843 101.705 1.00 23.25 ? ? ? ? ? ? 64 ARG L C 1 +ATOM 22347 O O . ARG L 1 65 ? 50.610 130.782 102.117 1.00 22.34 ? ? ? ? ? ? 64 ARG L O 1 +ATOM 22348 C CB . ARG L 1 65 ? 51.980 132.747 100.300 1.00 23.46 ? ? ? ? ? ? 64 ARG L CB 1 +ATOM 22349 C CG . ARG L 1 65 ? 51.275 132.657 98.950 1.00 25.67 ? ? ? ? ? ? 64 ARG L CG 1 +ATOM 22350 C CD . ARG L 1 65 ? 52.165 132.157 97.864 1.00 25.82 ? ? ? ? ? ? 64 ARG L CD 1 +ATOM 22351 N NE . ARG L 1 65 ? 53.046 133.204 97.389 1.00 24.02 ? ? ? ? ? ? 64 ARG L NE 1 +ATOM 22352 C CZ . ARG L 1 65 ? 54.319 133.341 97.747 1.00 29.53 ? ? ? ? ? ? 64 ARG L CZ 1 +ATOM 22353 N NH1 . ARG L 1 65 ? 54.900 132.503 98.605 1.00 27.75 ? ? ? ? ? ? 64 ARG L NH1 1 +ATOM 22354 N NH2 . ARG L 1 65 ? 55.016 134.345 97.243 1.00 29.89 ? ? ? ? ? ? 64 ARG L NH2 1 +ATOM 22355 N N . CYS L 1 66 ? 48.845 132.021 101.439 1.00 22.63 ? ? ? ? ? ? 65 CYS L N 1 +ATOM 22356 C CA . CYS L 1 66 ? 47.806 131.019 101.716 1.00 23.25 ? ? ? ? ? ? 65 CYS L CA 1 +ATOM 22357 C C . CYS L 1 66 ? 47.123 130.629 100.421 1.00 22.84 ? ? ? ? ? ? 65 CYS L C 1 +ATOM 22358 O O . CYS L 1 66 ? 46.949 131.491 99.549 1.00 23.68 ? ? ? ? ? ? 65 CYS L O 1 +ATOM 22359 C CB . CYS L 1 66 ? 46.762 131.607 102.676 1.00 23.99 ? ? ? ? ? ? 65 CYS L CB 1 +ATOM 22360 S SG . CYS L 1 66 ? 47.500 132.101 104.236 1.00 27.60 ? ? ? ? ? ? 65 CYS L SG 1 +ATOM 22361 N N . MSE L 1 67 ? 46.779 129.340 100.281 1.00 20.90 ? ? ? ? ? ? 66 MSE L N 1 +ATOM 22362 C CA . MSE L 1 67 ? 45.987 128.854 99.155 1.00 18.82 ? ? ? ? ? ? 66 MSE L CA 1 +ATOM 22363 C C . MSE L 1 67 ? 44.527 128.635 99.544 1.00 18.76 ? ? ? ? ? ? 66 MSE L C 1 +ATOM 22364 O O . MSE L 1 67 ? 44.224 127.951 100.532 1.00 18.68 ? ? ? ? ? ? 66 MSE L O 1 +ATOM 22365 C CB . MSE L 1 67 ? 46.590 127.578 98.573 1.00 20.17 ? ? ? ? ? ? 66 MSE L CB 1 +ATOM 22366 C CG . MSE L 1 67 ? 45.877 127.070 97.308 1.00 22.56 ? ? ? ? ? ? 66 MSE L CG 1 +ATOM 22367 SE SE . MSE L 1 67 ? 45.613 128.397 95.914 0.75 24.86 ? ? ? ? ? ? 66 MSE L SE 1 +ATOM 22368 C CE . MSE L 1 67 ? 47.379 128.267 95.046 1.00 20.92 ? ? ? ? ? ? 66 MSE L CE 1 +ATOM 22369 N N . VAL L 1 68 ? 43.629 129.257 98.786 1.00 18.86 ? ? ? ? ? ? 67 VAL L N 1 +ATOM 22370 C CA . VAL L 1 68 ? 42.196 129.054 98.941 1.00 18.12 ? ? ? ? ? ? 67 VAL L CA 1 +ATOM 22371 C C . VAL L 1 68 ? 41.781 127.943 97.936 1.00 18.91 ? ? ? ? ? ? 67 VAL L C 1 +ATOM 22372 O O . VAL L 1 68 ? 41.872 128.093 96.704 1.00 18.77 ? ? ? ? ? ? 67 VAL L O 1 +ATOM 22373 C CB . VAL L 1 68 ? 41.391 130.354 98.736 1.00 19.87 ? ? ? ? ? ? 67 VAL L CB 1 +ATOM 22374 C CG1 . VAL L 1 68 ? 39.891 130.117 99.118 1.00 14.24 ? ? ? ? ? ? 67 VAL L CG1 1 +ATOM 22375 C CG2 . VAL L 1 68 ? 41.977 131.481 99.556 1.00 17.93 ? ? ? ? ? ? 67 VAL L CG2 1 +ATOM 22376 N N . MSE L 1 69 ? 41.378 126.814 98.501 1.00 18.31 ? ? ? ? ? ? 68 MSE L N 1 +ATOM 22377 C CA . MSE L 1 69 ? 40.953 125.665 97.738 1.00 18.40 ? ? ? ? ? ? 68 MSE L CA 1 +ATOM 22378 C C . MSE L 1 69 ? 39.543 125.882 97.165 1.00 19.01 ? ? ? ? ? ? 68 MSE L C 1 +ATOM 22379 O O . MSE L 1 69 ? 38.818 126.782 97.610 1.00 19.21 ? ? ? ? ? ? 68 MSE L O 1 +ATOM 22380 C CB . MSE L 1 69 ? 40.947 124.422 98.638 1.00 17.31 ? ? ? ? ? ? 68 MSE L CB 1 +ATOM 22381 C CG . MSE L 1 69 ? 42.277 124.071 99.252 1.00 17.85 ? ? ? ? ? ? 68 MSE L CG 1 +ATOM 22382 SE SE . MSE L 1 69 ? 43.590 123.503 97.920 0.75 22.26 ? ? ? ? ? ? 68 MSE L SE 1 +ATOM 22383 C CE . MSE L 1 69 ? 42.727 121.701 97.359 1.00 16.86 ? ? ? ? ? ? 68 MSE L CE 1 +ATOM 22384 N N . PRO L 1 70 ? 39.144 125.049 96.174 1.00 19.86 ? ? ? ? ? ? 69 PRO L N 1 +ATOM 22385 C CA . PRO L 1 70 ? 37.768 125.102 95.670 1.00 21.35 ? ? ? ? ? ? 69 PRO L CA 1 +ATOM 22386 C C . PRO L 1 70 ? 36.728 124.816 96.768 1.00 22.16 ? ? ? ? ? ? 69 PRO L C 1 +ATOM 22387 O O . PRO L 1 70 ? 36.939 123.960 97.608 1.00 20.89 ? ? ? ? ? ? 69 PRO L O 1 +ATOM 22388 C CB . PRO L 1 70 ? 37.744 124.007 94.602 1.00 21.32 ? ? ? ? ? ? 69 PRO L CB 1 +ATOM 22389 C CG . PRO L 1 70 ? 39.199 123.862 94.185 1.00 22.53 ? ? ? ? ? ? 69 PRO L CG 1 +ATOM 22390 C CD . PRO L 1 70 ? 39.953 124.047 95.443 1.00 20.35 ? ? ? ? ? ? 69 PRO L CD 1 +ATOM 22391 N N . PRO L 1 71 ? 35.625 125.561 96.779 1.00 22.40 ? ? ? ? ? ? 70 PRO L N 1 +ATOM 22392 C CA . PRO L 1 71 ? 34.645 125.321 97.816 1.00 21.90 ? ? ? ? ? ? 70 PRO L CA 1 +ATOM 22393 C C . PRO L 1 71 ? 33.994 123.941 97.733 1.00 21.57 ? ? ? ? ? ? 70 PRO L C 1 +ATOM 22394 O O . PRO L 1 71 ? 33.786 123.398 96.642 1.00 22.80 ? ? ? ? ? ? 70 PRO L O 1 +ATOM 22395 C CB . PRO L 1 71 ? 33.607 126.418 97.591 1.00 23.36 ? ? ? ? ? ? 70 PRO L CB 1 +ATOM 22396 C CG . PRO L 1 71 ? 34.223 127.383 96.644 1.00 24.77 ? ? ? ? ? ? 70 PRO L CG 1 +ATOM 22397 C CD . PRO L 1 71 ? 35.242 126.647 95.862 1.00 22.50 ? ? ? ? ? ? 70 PRO L CD 1 +ATOM 22398 N N . VAL L 1 72 ? 33.711 123.367 98.893 1.00 20.87 ? ? ? ? ? ? 71 VAL L N 1 +ATOM 22399 C CA . VAL L 1 72 ? 32.982 122.117 98.983 1.00 18.32 ? ? ? ? ? ? 71 VAL L CA 1 +ATOM 22400 C C . VAL L 1 72 ? 31.491 122.457 98.999 1.00 17.39 ? ? ? ? ? ? 71 VAL L C 1 +ATOM 22401 O O . VAL L 1 72 ? 31.018 123.176 99.875 1.00 17.73 ? ? ? ? ? ? 71 VAL L O 1 +ATOM 22402 C CB . VAL L 1 72 ? 33.414 121.337 100.243 1.00 20.07 ? ? ? ? ? ? 71 VAL L CB 1 +ATOM 22403 C CG1 . VAL L 1 72 ? 32.851 119.892 100.249 1.00 15.33 ? ? ? ? ? ? 71 VAL L CG1 1 +ATOM 22404 C CG2 . VAL L 1 72 ? 34.957 121.333 100.335 1.00 17.91 ? ? ? ? ? ? 71 VAL L CG2 1 +ATOM 22405 N N . PRO L 1 73 ? 30.737 122.012 97.991 1.00 17.13 ? ? ? ? ? ? 72 PRO L N 1 +ATOM 22406 C CA . PRO L 1 73 ? 29.312 122.364 97.959 1.00 17.38 ? ? ? ? ? ? 72 PRO L CA 1 +ATOM 22407 C C . PRO L 1 73 ? 28.368 121.406 98.716 1.00 18.38 ? ? ? ? ? ? 72 PRO L C 1 +ATOM 22408 O O . PRO L 1 73 ? 27.176 121.371 98.424 1.00 21.54 ? ? ? ? ? ? 72 PRO L O 1 +ATOM 22409 C CB . PRO L 1 73 ? 29.022 122.314 96.462 1.00 20.36 ? ? ? ? ? ? 72 PRO L CB 1 +ATOM 22410 C CG . PRO L 1 73 ? 29.861 121.116 95.986 1.00 20.33 ? ? ? ? ? ? 72 PRO L CG 1 +ATOM 22411 C CD . PRO L 1 73 ? 31.156 121.249 96.799 1.00 18.07 ? ? ? ? ? ? 72 PRO L CD 1 +ATOM 22412 N N . PHE L 1 74 ? 28.883 120.665 99.697 1.00 17.80 ? ? ? ? ? ? 73 PHE L N 1 +ATOM 22413 C CA . PHE L 1 74 ? 28.171 119.563 100.320 1.00 17.35 ? ? ? ? ? ? 73 PHE L CA 1 +ATOM 22414 C C . PHE L 1 74 ? 27.895 119.843 101.790 1.00 17.90 ? ? ? ? ? ? 73 PHE L C 1 +ATOM 22415 O O . PHE L 1 74 ? 28.741 119.597 102.657 1.00 18.16 ? ? ? ? ? ? 73 PHE L O 1 +ATOM 22416 C CB . PHE L 1 74 ? 28.976 118.254 100.122 1.00 17.73 ? ? ? ? ? ? 73 PHE L CB 1 +ATOM 22417 C CG . PHE L 1 74 ? 29.079 117.840 98.674 1.00 21.60 ? ? ? ? ? ? 73 PHE L CG 1 +ATOM 22418 C CD1 . PHE L 1 74 ? 27.924 117.565 97.936 1.00 24.18 ? ? ? ? ? ? 73 PHE L CD1 1 +ATOM 22419 C CD2 . PHE L 1 74 ? 30.302 117.749 98.030 1.00 21.37 ? ? ? ? ? ? 73 PHE L CD2 1 +ATOM 22420 C CE1 . PHE L 1 74 ? 27.989 117.221 96.608 1.00 23.23 ? ? ? ? ? ? 73 PHE L CE1 1 +ATOM 22421 C CE2 . PHE L 1 74 ? 30.371 117.386 96.671 1.00 20.28 ? ? ? ? ? ? 73 PHE L CE2 1 +ATOM 22422 C CZ . PHE L 1 74 ? 29.210 117.135 95.964 1.00 19.71 ? ? ? ? ? ? 73 PHE L CZ 1 +ATOM 22423 N N . GLY L 1 75 ? 26.694 120.365 102.069 1.00 18.18 ? ? ? ? ? ? 74 GLY L N 1 +ATOM 22424 C CA . GLY L 1 75 ? 26.342 120.809 103.403 1.00 17.30 ? ? ? ? ? ? 74 GLY L CA 1 +ATOM 22425 C C . GLY L 1 75 ? 25.415 119.806 104.041 1.00 16.96 ? ? ? ? ? ? 74 GLY L C 1 +ATOM 22426 O O . GLY L 1 75 ? 24.871 118.963 103.359 1.00 17.02 ? ? ? ? ? ? 74 GLY L O 1 +ATOM 22427 N N . ALA L 1 76 ? 25.259 119.889 105.360 1.00 16.89 ? ? ? ? ? ? 75 ALA L N 1 +ATOM 22428 C CA . ALA L 1 76 ? 24.269 119.083 106.100 1.00 17.20 ? ? ? ? ? ? 75 ALA L CA 1 +ATOM 22429 C C . ALA L 1 76 ? 23.004 119.930 106.294 1.00 18.25 ? ? ? ? ? ? 75 ALA L C 1 +ATOM 22430 O O . ALA L 1 76 ? 23.098 121.073 106.730 1.00 19.90 ? ? ? ? ? ? 75 ALA L O 1 +ATOM 22431 C CB . ALA L 1 76 ? 24.869 118.639 107.481 1.00 18.24 ? ? ? ? ? ? 75 ALA L CB 1 +ATOM 22432 N N . HIS L 1 77 ? 21.835 119.363 105.986 1.00 19.54 ? ? ? ? ? ? 76 HIS L N 1 +ATOM 22433 C CA . HIS L 1 77 ? 20.561 120.104 105.981 1.00 19.50 ? ? ? ? ? ? 76 HIS L CA 1 +ATOM 22434 C C . HIS L 1 77 ? 19.533 119.539 106.936 1.00 20.87 ? ? ? ? ? ? 76 HIS L C 1 +ATOM 22435 O O . HIS L 1 77 ? 19.757 118.519 107.593 1.00 19.91 ? ? ? ? ? ? 76 HIS L O 1 +ATOM 22436 C CB . HIS L 1 77 ? 20.035 120.261 104.542 1.00 19.15 ? ? ? ? ? ? 76 HIS L CB 1 +ATOM 22437 C CG . HIS L 1 77 ? 20.969 121.068 103.690 1.00 20.07 ? ? ? ? ? ? 76 HIS L CG 1 +ATOM 22438 N ND1 . HIS L 1 77 ? 21.248 122.397 103.952 1.00 23.40 ? ? ? ? ? ? 76 HIS L ND1 1 +ATOM 22439 C CD2 . HIS L 1 77 ? 21.796 120.702 102.687 1.00 21.37 ? ? ? ? ? ? 76 HIS L CD2 1 +ATOM 22440 C CE1 . HIS L 1 77 ? 22.183 122.820 103.114 1.00 24.01 ? ? ? ? ? ? 76 HIS L CE1 1 +ATOM 22441 N NE2 . HIS L 1 77 ? 22.529 121.811 102.334 1.00 21.18 ? ? ? ? ? ? 76 HIS L NE2 1 +ATOM 22442 N N . ASN L 1 78 ? 18.431 120.266 107.040 1.00 20.24 ? ? ? ? ? ? 77 ASN L N 1 +ATOM 22443 C CA . ASN L 1 78 ? 17.414 120.038 108.033 1.00 21.11 ? ? ? ? ? ? 77 ASN L CA 1 +ATOM 22444 C C . ASN L 1 78 ? 16.193 119.383 107.401 1.00 22.19 ? ? ? ? ? ? 77 ASN L C 1 +ATOM 22445 O O . ASN L 1 78 ? 15.973 119.453 106.168 1.00 22.40 ? ? ? ? ? ? 77 ASN L O 1 +ATOM 22446 C CB . ASN L 1 78 ? 16.951 121.378 108.673 1.00 22.58 ? ? ? ? ? ? 77 ASN L CB 1 +ATOM 22447 C CG . ASN L 1 78 ? 17.937 121.943 109.670 1.00 24.02 ? ? ? ? ? ? 77 ASN L CG 1 +ATOM 22448 O OD1 . ASN L 1 78 ? 19.153 121.915 109.455 1.00 30.38 ? ? ? ? ? ? 77 ASN L OD1 1 +ATOM 22449 N ND2 . ASN L 1 78 ? 17.417 122.508 110.749 1.00 25.51 ? ? ? ? ? ? 77 ASN L ND2 1 +ATOM 22450 N N . PRO L 1 79 ? 15.353 118.794 108.247 1.00 23.10 ? ? ? ? ? ? 78 PRO L N 1 +ATOM 22451 C CA . PRO L 1 79 ? 14.090 118.282 107.735 1.00 23.35 ? ? ? ? ? ? 78 PRO L CA 1 +ATOM 22452 C C . PRO L 1 79 ? 13.345 119.364 106.947 1.00 23.14 ? ? ? ? ? ? 78 PRO L C 1 +ATOM 22453 O O . PRO L 1 79 ? 13.372 120.544 107.327 1.00 23.05 ? ? ? ? ? ? 78 PRO L O 1 +ATOM 22454 C CB . PRO L 1 79 ? 13.342 117.881 109.012 1.00 25.72 ? ? ? ? ? ? 78 PRO L CB 1 +ATOM 22455 C CG . PRO L 1 79 ? 14.469 117.560 110.008 1.00 23.83 ? ? ? ? ? ? 78 PRO L CG 1 +ATOM 22456 C CD . PRO L 1 79 ? 15.496 118.597 109.703 1.00 23.77 ? ? ? ? ? ? 78 PRO L CD 1 +ATOM 22457 N N . GLY L 1 80 ? 12.776 118.970 105.811 1.00 22.34 ? ? ? ? ? ? 79 GLY L N 1 +ATOM 22458 C CA . GLY L 1 80 ? 12.028 119.884 104.947 1.00 23.49 ? ? ? ? ? ? 79 GLY L CA 1 +ATOM 22459 C C . GLY L 1 80 ? 12.868 120.622 103.925 1.00 24.01 ? ? ? ? ? ? 79 GLY L C 1 +ATOM 22460 O O . GLY L 1 80 ? 12.327 121.162 102.975 1.00 25.95 ? ? ? ? ? ? 79 GLY L O 1 +ATOM 22461 N N . GLN L 1 81 ? 14.191 120.655 104.084 1.00 23.44 ? ? ? ? ? ? 80 GLN L N 1 +ATOM 22462 C CA . GLN L 1 81 ? 15.000 121.307 103.061 1.00 23.84 ? ? ? ? ? ? 80 GLN L CA 1 +ATOM 22463 C C . GLN L 1 81 ? 15.270 120.386 101.874 1.00 24.81 ? ? ? ? ? ? 80 GLN L C 1 +ATOM 22464 O O . GLN L 1 81 ? 15.386 120.844 100.719 1.00 25.03 ? ? ? ? ? ? 80 GLN L O 1 +ATOM 22465 C CB . GLN L 1 81 ? 16.318 121.776 103.610 1.00 24.27 ? ? ? ? ? ? 80 GLN L CB 1 +ATOM 22466 C CG . GLN L 1 81 ? 16.251 122.857 104.659 1.00 23.45 ? ? ? ? ? ? 80 GLN L CG 1 +ATOM 22467 C CD . GLN L 1 81 ? 17.641 123.449 104.863 1.00 25.72 ? ? ? ? ? ? 80 GLN L CD 1 +ATOM 22468 O OE1 . GLN L 1 81 ? 18.465 122.900 105.591 1.00 27.56 ? ? ? ? ? ? 80 GLN L OE1 1 +ATOM 22469 N NE2 . GLN L 1 81 ? 17.928 124.539 104.161 1.00 21.89 ? ? ? ? ? ? 80 GLN L NE2 1 +ATOM 22470 N N . ARG L 1 82 ? 15.379 119.095 102.173 1.00 24.48 ? ? ? ? ? ? 81 ARG L N 1 +ATOM 22471 C CA . ARG L 1 82 ? 15.746 118.077 101.211 1.00 26.42 ? ? ? ? ? ? 81 ARG L CA 1 +ATOM 22472 C C . ARG L 1 82 ? 14.714 117.890 100.080 1.00 26.58 ? ? ? ? ? ? 81 ARG L C 1 +ATOM 22473 O O . ARG L 1 82 ? 15.068 117.495 98.957 1.00 27.86 ? ? ? ? ? ? 81 ARG L O 1 +ATOM 22474 C CB . ARG L 1 82 ? 15.956 116.752 101.964 1.00 26.39 ? ? ? ? ? ? 81 ARG L CB 1 +ATOM 22475 C CG . ARG L 1 82 ? 16.685 115.705 101.144 1.00 30.29 ? ? ? ? ? ? 81 ARG L CG 1 +ATOM 22476 C CD . ARG L 1 82 ? 16.895 114.423 101.873 1.00 28.19 ? ? ? ? ? ? 81 ARG L CD 1 +ATOM 22477 N NE . ARG L 1 82 ? 15.645 113.853 102.350 1.00 35.44 ? ? ? ? ? ? 81 ARG L NE 1 +ATOM 22478 C CZ . ARG L 1 82 ? 15.525 112.614 102.807 1.00 36.08 ? ? ? ? ? ? 81 ARG L CZ 1 +ATOM 22479 N NH1 . ARG L 1 82 ? 16.575 111.794 102.821 1.00 34.39 ? ? ? ? ? ? 81 ARG L NH1 1 +ATOM 22480 N NH2 . ARG L 1 82 ? 14.343 112.187 103.239 1.00 38.52 ? ? ? ? ? ? 81 ARG L NH2 1 +ATOM 22481 N N . GLU L 1 83 ? 13.453 118.179 100.386 1.00 27.09 ? ? ? ? ? ? 82 GLU L N 1 +ATOM 22482 C CA . GLU L 1 83 ? 12.344 118.110 99.429 1.00 29.82 ? ? ? ? ? ? 82 GLU L CA 1 +ATOM 22483 C C . GLU L 1 83 ? 12.247 119.347 98.538 1.00 26.77 ? ? ? ? ? ? 82 GLU L C 1 +ATOM 22484 O O . GLU L 1 83 ? 11.487 119.338 97.589 1.00 26.29 ? ? ? ? ? ? 82 GLU L O 1 +ATOM 22485 C CB . GLU L 1 83 ? 11.012 117.926 100.188 1.00 30.89 ? ? ? ? ? ? 82 GLU L CB 1 +ATOM 22486 C CG . GLU L 1 83 ? 10.614 119.156 101.064 1.00 38.43 ? ? ? ? ? ? 82 GLU L CG 1 +ATOM 22487 C CD . GLU L 1 83 ? 9.278 119.025 101.850 1.00 40.18 ? ? ? ? ? ? 82 GLU L CD 1 +ATOM 22488 O OE1 . GLU L 1 83 ? 9.054 118.005 102.545 1.00 53.21 ? ? ? ? ? ? 82 GLU L OE1 1 +ATOM 22489 O OE2 . GLU L 1 83 ? 8.471 119.996 101.801 1.00 52.64 ? ? ? ? ? ? 82 GLU L OE2 1 +ATOM 22490 N N . LEU L 1 84 ? 12.984 120.418 98.853 1.00 25.32 ? ? ? ? ? ? 83 LEU L N 1 +ATOM 22491 C CA . LEU L 1 84 ? 13.116 121.562 97.950 1.00 24.14 ? ? ? ? ? ? 83 LEU L CA 1 +ATOM 22492 C C . LEU L 1 84 ? 14.040 121.227 96.785 1.00 23.71 ? ? ? ? ? ? 83 LEU L C 1 +ATOM 22493 O O . LEU L 1 84 ? 15.127 120.633 96.990 1.00 21.79 ? ? ? ? ? ? 83 LEU L O 1 +ATOM 22494 C CB . LEU L 1 84 ? 13.681 122.780 98.658 1.00 23.46 ? ? ? ? ? ? 83 LEU L CB 1 +ATOM 22495 C CG . LEU L 1 84 ? 12.844 123.339 99.805 1.00 27.68 ? ? ? ? ? ? 83 LEU L CG 1 +ATOM 22496 C CD1 . LEU L 1 84 ? 13.624 124.431 100.581 1.00 24.83 ? ? ? ? ? ? 83 LEU L CD1 1 +ATOM 22497 C CD2 . LEU L 1 84 ? 11.494 123.837 99.265 1.00 26.99 ? ? ? ? ? ? 83 LEU L CD2 1 +ATOM 22498 N N . PRO L 1 85 ? 13.659 121.665 95.567 1.00 23.21 ? ? ? ? ? ? 84 PRO L N 1 +ATOM 22499 C CA . PRO L 1 85 ? 14.383 121.273 94.385 1.00 22.77 ? ? ? ? ? ? 84 PRO L CA 1 +ATOM 22500 C C . PRO L 1 85 ? 15.867 121.682 94.436 1.00 21.66 ? ? ? ? ? ? 84 PRO L C 1 +ATOM 22501 O O . PRO L 1 85 ? 16.202 122.831 94.761 1.00 21.55 ? ? ? ? ? ? 84 PRO L O 1 +ATOM 22502 C CB . PRO L 1 85 ? 13.641 121.983 93.246 1.00 22.41 ? ? ? ? ? ? 84 PRO L CB 1 +ATOM 22503 C CG . PRO L 1 85 ? 12.802 122.998 93.884 1.00 25.39 ? ? ? ? ? ? 84 PRO L CG 1 +ATOM 22504 C CD . PRO L 1 85 ? 12.521 122.541 95.251 1.00 25.78 ? ? ? ? ? ? 84 PRO L CD 1 +ATOM 22505 N N . PHE L 1 86 ? 16.723 120.719 94.129 1.00 21.53 ? ? ? ? ? ? 85 PHE L N 1 +ATOM 22506 C CA . PHE L 1 86 ? 18.167 120.917 94.011 1.00 20.75 ? ? ? ? ? ? 85 PHE L CA 1 +ATOM 22507 C C . PHE L 1 86 ? 18.933 121.144 95.302 1.00 20.78 ? ? ? ? ? ? 85 PHE L C 1 +ATOM 22508 O O . PHE L 1 86 ? 20.149 121.389 95.254 1.00 22.67 ? ? ? ? ? ? 85 PHE L O 1 +ATOM 22509 C CB . PHE L 1 86 ? 18.440 122.008 92.986 1.00 22.07 ? ? ? ? ? ? 85 PHE L CB 1 +ATOM 22510 C CG . PHE L 1 86 ? 17.615 121.837 91.716 1.00 24.40 ? ? ? ? ? ? 85 PHE L CG 1 +ATOM 22511 C CD1 . PHE L 1 86 ? 17.660 120.643 91.012 1.00 25.78 ? ? ? ? ? ? 85 PHE L CD1 1 +ATOM 22512 C CD2 . PHE L 1 86 ? 16.801 122.864 91.239 1.00 24.03 ? ? ? ? ? ? 85 PHE L CD2 1 +ATOM 22513 C CE1 . PHE L 1 86 ? 16.925 120.473 89.851 1.00 23.77 ? ? ? ? ? ? 85 PHE L CE1 1 +ATOM 22514 C CE2 . PHE L 1 86 ? 16.042 122.690 90.080 1.00 25.47 ? ? ? ? ? ? 85 PHE L CE2 1 +ATOM 22515 C CZ . PHE L 1 86 ? 16.115 121.496 89.387 1.00 23.00 ? ? ? ? ? ? 85 PHE L CZ 1 +ATOM 22516 N N . CYS L 1 87 ? 18.260 120.987 96.445 1.00 21.33 ? ? ? ? ? ? 86 CYS L N 1 +ATOM 22517 C CA . CYS L 1 87 ? 18.904 121.027 97.758 1.00 21.44 ? ? ? ? ? ? 86 CYS L CA 1 +ATOM 22518 C C . CYS L 1 87 ? 19.515 119.685 98.043 1.00 21.59 ? ? ? ? ? ? 86 CYS L C 1 +ATOM 22519 O O . CYS L 1 87 ? 18.801 118.700 98.079 1.00 22.70 ? ? ? ? ? ? 86 CYS L O 1 +ATOM 22520 C CB . CYS L 1 87 ? 17.892 121.327 98.829 1.00 22.88 ? ? ? ? ? ? 86 CYS L CB 1 +ATOM 22521 S SG . CYS L 1 87 ? 18.677 121.480 100.457 1.00 24.49 ? ? ? ? ? ? 86 CYS L SG 1 +ATOM 22522 N N . ILE L 1 88 ? 20.832 119.639 98.244 1.00 19.50 ? ? ? ? ? ? 87 ILE L N 1 +ATOM 22523 C CA . ILE L 1 88 ? 21.534 118.353 98.445 1.00 19.59 ? ? ? ? ? ? 87 ILE L CA 1 +ATOM 22524 C C . ILE L 1 88 ? 21.980 118.160 99.900 1.00 18.78 ? ? ? ? ? ? 87 ILE L C 1 +ATOM 22525 O O . ILE L 1 88 ? 22.873 118.848 100.384 1.00 18.95 ? ? ? ? ? ? 87 ILE L O 1 +ATOM 22526 C CB . ILE L 1 88 ? 22.749 118.246 97.506 1.00 18.84 ? ? ? ? ? ? 87 ILE L CB 1 +ATOM 22527 C CG1 . ILE L 1 88 ? 22.315 118.452 96.035 1.00 20.50 ? ? ? ? ? ? 87 ILE L CG1 1 +ATOM 22528 C CG2 . ILE L 1 88 ? 23.459 116.891 97.690 1.00 17.54 ? ? ? ? ? ? 87 ILE L CG2 1 +ATOM 22529 C CD1 . ILE L 1 88 ? 21.296 117.426 95.453 1.00 16.69 ? ? ? ? ? ? 87 ILE L CD1 1 +ATOM 22530 N N . HIS L 1 89 ? 21.307 117.267 100.625 1.00 18.80 ? ? ? ? ? ? 88 HIS L N 1 +ATOM 22531 C CA . HIS L 1 89 ? 21.730 116.911 101.971 1.00 17.87 ? ? ? ? ? ? 88 HIS L CA 1 +ATOM 22532 C C . HIS L 1 89 ? 22.896 115.925 101.946 1.00 17.25 ? ? ? ? ? ? 88 HIS L C 1 +ATOM 22533 O O . HIS L 1 89 ? 22.852 114.915 101.256 1.00 17.73 ? ? ? ? ? ? 88 HIS L O 1 +ATOM 22534 C CB . HIS L 1 89 ? 20.592 116.344 102.776 1.00 19.74 ? ? ? ? ? ? 88 HIS L CB 1 +ATOM 22535 C CG . HIS L 1 89 ? 21.022 115.804 104.100 1.00 19.01 ? ? ? ? ? ? 88 HIS L CG 1 +ATOM 22536 N ND1 . HIS L 1 89 ? 21.478 116.612 105.116 1.00 21.42 ? ? ? ? ? ? 88 HIS L ND1 1 +ATOM 22537 C CD2 . HIS L 1 89 ? 21.093 114.528 104.568 1.00 19.90 ? ? ? ? ? ? 88 HIS L CD2 1 +ATOM 22538 C CE1 . HIS L 1 89 ? 21.791 115.860 106.163 1.00 22.51 ? ? ? ? ? ? 88 HIS L CE1 1 +ATOM 22539 N NE2 . HIS L 1 89 ? 21.563 114.593 105.857 1.00 20.72 ? ? ? ? ? ? 88 HIS L NE2 1 +ATOM 22540 N N . THR L 1 90 ? 23.953 116.254 102.684 1.00 17.39 ? ? ? ? ? ? 89 THR L N 1 +ATOM 22541 C CA . THR L 1 90 ? 25.147 115.429 102.766 1.00 17.63 ? ? ? ? ? ? 89 THR L CA 1 +ATOM 22542 C C . THR L 1 90 ? 25.224 114.822 104.152 1.00 16.91 ? ? ? ? ? ? 89 THR L C 1 +ATOM 22543 O O . THR L 1 90 ? 25.134 115.546 105.135 1.00 17.53 ? ? ? ? ? ? 89 THR L O 1 +ATOM 22544 C CB . THR L 1 90 ? 26.389 116.281 102.535 1.00 17.14 ? ? ? ? ? ? 89 THR L CB 1 +ATOM 22545 O OG1 . THR L 1 90 ? 26.212 117.018 101.333 1.00 21.14 ? ? ? ? ? ? 89 THR L OG1 1 +ATOM 22546 C CG2 . THR L 1 90 ? 27.645 115.436 102.414 1.00 14.03 ? ? ? ? ? ? 89 THR L CG2 1 +ATOM 22547 N N . ARG L 1 91 ? 25.381 113.504 104.249 1.00 14.65 ? ? ? ? ? ? 90 ARG L N 1 +ATOM 22548 C CA . ARG L 1 91 ? 25.507 112.887 105.552 1.00 15.73 ? ? ? ? ? ? 90 ARG L CA 1 +ATOM 22549 C C . ARG L 1 91 ? 26.840 113.273 106.137 1.00 16.90 ? ? ? ? ? ? 90 ARG L C 1 +ATOM 22550 O O . ARG L 1 91 ? 27.821 113.530 105.400 1.00 16.11 ? ? ? ? ? ? 90 ARG L O 1 +ATOM 22551 C CB . ARG L 1 91 ? 25.460 111.354 105.457 1.00 17.21 ? ? ? ? ? ? 90 ARG L CB 1 +ATOM 22552 C CG . ARG L 1 91 ? 24.100 110.795 105.078 1.00 20.21 ? ? ? ? ? ? 90 ARG L CG 1 +ATOM 22553 C CD . ARG L 1 91 ? 24.228 109.327 104.683 1.00 20.69 ? ? ? ? ? ? 90 ARG L CD 1 +ATOM 22554 N NE . ARG L 1 91 ? 24.791 109.146 103.351 1.00 26.03 ? ? ? ? ? ? 90 ARG L NE 1 +ATOM 22555 C CZ . ARG L 1 91 ? 25.157 107.965 102.834 1.00 29.14 ? ? ? ? ? ? 90 ARG L CZ 1 +ATOM 22556 N NH1 . ARG L 1 91 ? 25.082 106.857 103.560 1.00 28.75 ? ? ? ? ? ? 90 ARG L NH1 1 +ATOM 22557 N NH2 . ARG L 1 91 ? 25.647 107.889 101.598 1.00 25.55 ? ? ? ? ? ? 90 ARG L NH2 1 +ATOM 22558 N N . TYR L 1 92 ? 26.891 113.273 107.465 1.00 17.67 ? ? ? ? ? ? 91 TYR L N 1 +ATOM 22559 C CA . TYR L 1 92 ? 28.106 113.567 108.200 1.00 17.40 ? ? ? ? ? ? 91 TYR L CA 1 +ATOM 22560 C C . TYR L 1 92 ? 29.257 112.659 107.727 1.00 15.61 ? ? ? ? ? ? 91 TYR L C 1 +ATOM 22561 O O . TYR L 1 92 ? 30.380 113.112 107.512 1.00 17.37 ? ? ? ? ? ? 91 TYR L O 1 +ATOM 22562 C CB . TYR L 1 92 ? 27.854 113.379 109.720 1.00 19.93 ? ? ? ? ? ? 91 TYR L CB 1 +ATOM 22563 C CG . TYR L 1 92 ? 28.977 113.921 110.606 1.00 19.75 ? ? ? ? ? ? 91 TYR L CG 1 +ATOM 22564 C CD1 . TYR L 1 92 ? 30.142 113.196 110.801 1.00 22.10 ? ? ? ? ? ? 91 TYR L CD1 1 +ATOM 22565 C CD2 . TYR L 1 92 ? 28.861 115.158 111.217 1.00 22.34 ? ? ? ? ? ? 91 TYR L CD2 1 +ATOM 22566 C CE1 . TYR L 1 92 ? 31.172 113.696 111.597 1.00 24.57 ? ? ? ? ? ? 91 TYR L CE1 1 +ATOM 22567 C CE2 . TYR L 1 92 ? 29.855 115.658 111.999 1.00 23.32 ? ? ? ? ? ? 91 TYR L CE2 1 +ATOM 22568 C CZ . TYR L 1 92 ? 31.021 114.920 112.178 1.00 24.18 ? ? ? ? ? ? 91 TYR L CZ 1 +ATOM 22569 O OH . TYR L 1 92 ? 32.019 115.434 112.967 1.00 33.08 ? ? ? ? ? ? 91 TYR L OH 1 +ATOM 22570 N N . ALA L 1 93 ? 28.970 111.368 107.593 1.00 16.52 ? ? ? ? ? ? 92 ALA L N 1 +ATOM 22571 C CA . ALA L 1 93 ? 29.997 110.394 107.213 1.00 15.71 ? ? ? ? ? ? 92 ALA L CA 1 +ATOM 22572 C C . ALA L 1 93 ? 30.506 110.682 105.790 1.00 15.58 ? ? ? ? ? ? 92 ALA L C 1 +ATOM 22573 O O . ALA L 1 93 ? 31.621 110.366 105.452 1.00 15.81 ? ? ? ? ? ? 92 ALA L O 1 +ATOM 22574 C CB . ALA L 1 93 ? 29.452 108.930 107.350 1.00 13.87 ? ? ? ? ? ? 92 ALA L CB 1 +ATOM 22575 N N . THR L 1 94 ? 29.678 111.301 104.946 1.00 16.19 ? ? ? ? ? ? 93 THR L N 1 +ATOM 22576 C CA . THR L 1 94 ? 30.097 111.703 103.600 1.00 14.65 ? ? ? ? ? ? 93 THR L CA 1 +ATOM 22577 C C . THR L 1 94 ? 31.074 112.869 103.662 1.00 15.95 ? ? ? ? ? ? 93 THR L C 1 +ATOM 22578 O O . THR L 1 94 ? 32.183 112.824 103.076 1.00 15.50 ? ? ? ? ? ? 93 THR L O 1 +ATOM 22579 C CB . THR L 1 94 ? 28.858 112.082 102.735 1.00 17.03 ? ? ? ? ? ? 93 THR L CB 1 +ATOM 22580 O OG1 . THR L 1 94 ? 28.020 110.927 102.627 1.00 14.25 ? ? ? ? ? ? 93 THR L OG1 1 +ATOM 22581 C CG2 . THR L 1 94 ? 29.278 112.591 101.307 1.00 13.71 ? ? ? ? ? ? 93 THR L CG2 1 +ATOM 22582 N N . GLN L 1 95 ? 30.662 113.903 104.401 1.00 16.65 ? ? ? ? ? ? 94 GLN L N 1 +ATOM 22583 C CA . GLN L 1 95 ? 31.519 115.039 104.681 1.00 15.94 ? ? ? ? ? ? 94 GLN L CA 1 +ATOM 22584 C C . GLN L 1 95 ? 32.861 114.584 105.293 1.00 15.38 ? ? ? ? ? ? 94 GLN L C 1 +ATOM 22585 O O . GLN L 1 95 ? 33.921 115.067 104.899 1.00 15.65 ? ? ? ? ? ? 94 GLN L O 1 +ATOM 22586 C CB . GLN L 1 95 ? 30.817 116.001 105.650 1.00 16.88 ? ? ? ? ? ? 94 GLN L CB 1 +ATOM 22587 C CG . GLN L 1 95 ? 29.517 116.545 105.165 1.00 18.62 ? ? ? ? ? ? 94 GLN L CG 1 +ATOM 22588 C CD . GLN L 1 95 ? 28.961 117.585 106.102 1.00 17.36 ? ? ? ? ? ? 94 GLN L CD 1 +ATOM 22589 O OE1 . GLN L 1 95 ? 28.837 117.358 107.320 1.00 21.55 ? ? ? ? ? ? 94 GLN L OE1 1 +ATOM 22590 N NE2 . GLN L 1 95 ? 28.624 118.742 105.544 1.00 12.53 ? ? ? ? ? ? 94 GLN L NE2 1 +ATOM 22591 N N . GLN L 1 96 ? 32.814 113.677 106.277 1.00 16.74 ? ? ? ? ? ? 95 GLN L N 1 +ATOM 22592 C CA . GLN L 1 96 ? 34.042 113.185 106.895 1.00 16.92 ? ? ? ? ? ? 95 GLN L CA 1 +ATOM 22593 C C . GLN L 1 96 ? 34.941 112.485 105.897 1.00 15.27 ? ? ? ? ? ? 95 GLN L C 1 +ATOM 22594 O O . GLN L 1 96 ? 36.151 112.619 105.957 1.00 17.32 ? ? ? ? ? ? 95 GLN L O 1 +ATOM 22595 C CB . GLN L 1 96 ? 33.776 112.261 108.086 1.00 16.81 ? ? ? ? ? ? 95 GLN L CB 1 +ATOM 22596 C CG . GLN L 1 96 ? 35.031 111.931 108.872 1.00 20.66 ? ? ? ? ? ? 95 GLN L CG 1 +ATOM 22597 C CD . GLN L 1 96 ? 34.796 110.915 109.999 1.00 27.47 ? ? ? ? ? ? 95 GLN L CD 1 +ATOM 22598 O OE1 . GLN L 1 96 ? 34.065 111.162 110.940 1.00 32.19 ? ? ? ? ? ? 95 GLN L OE1 1 +ATOM 22599 N NE2 . GLN L 1 96 ? 35.444 109.762 109.887 1.00 41.27 ? ? ? ? ? ? 95 GLN L NE2 1 +ATOM 22600 N N . ALA L 1 97 ? 34.360 111.717 104.997 1.00 16.05 ? ? ? ? ? ? 96 ALA L N 1 +ATOM 22601 C CA . ALA L 1 97 ? 35.133 111.028 103.970 1.00 15.56 ? ? ? ? ? ? 96 ALA L CA 1 +ATOM 22602 C C . ALA L 1 97 ? 35.785 112.029 103.044 1.00 16.51 ? ? ? ? ? ? 96 ALA L C 1 +ATOM 22603 O O . ALA L 1 97 ? 36.965 111.890 102.690 1.00 14.90 ? ? ? ? ? ? 96 ALA L O 1 +ATOM 22604 C CB . ALA L 1 97 ? 34.238 110.017 103.207 1.00 14.16 ? ? ? ? ? ? 96 ALA L CB 1 +ATOM 22605 N N . ILE L 1 98 ? 35.042 113.084 102.691 1.00 16.25 ? ? ? ? ? ? 97 ILE L N 1 +ATOM 22606 C CA . ILE L 1 98 ? 35.617 114.199 101.914 1.00 15.09 ? ? ? ? ? ? 97 ILE L CA 1 +ATOM 22607 C C . ILE L 1 98 ? 36.821 114.834 102.618 1.00 15.40 ? ? ? ? ? ? 97 ILE L C 1 +ATOM 22608 O O . ILE L 1 98 ? 37.883 114.956 102.032 1.00 16.18 ? ? ? ? ? ? 97 ILE L O 1 +ATOM 22609 C CB . ILE L 1 98 ? 34.550 115.308 101.620 1.00 15.74 ? ? ? ? ? ? 97 ILE L CB 1 +ATOM 22610 C CG1 . ILE L 1 98 ? 33.477 114.813 100.638 1.00 17.02 ? ? ? ? ? ? 97 ILE L CG1 1 +ATOM 22611 C CG2 . ILE L 1 98 ? 35.201 116.523 101.026 1.00 16.91 ? ? ? ? ? ? 97 ILE L CG2 1 +ATOM 22612 C CD1 . ILE L 1 98 ? 32.252 115.758 100.521 1.00 15.91 ? ? ? ? ? ? 97 ILE L CD1 1 +ATOM 22613 N N . LEU L 1 99 ? 36.649 115.261 103.869 1.00 16.46 ? ? ? ? ? ? 98 LEU L N 1 +ATOM 22614 C CA . LEU L 1 99 ? 37.721 115.945 104.598 1.00 16.42 ? ? ? ? ? ? 98 LEU L CA 1 +ATOM 22615 C C . LEU L 1 99 ? 38.916 115.033 104.775 1.00 17.26 ? ? ? ? ? ? 98 LEU L C 1 +ATOM 22616 O O . LEU L 1 99 ? 40.042 115.506 104.675 1.00 18.16 ? ? ? ? ? ? 98 LEU L O 1 +ATOM 22617 C CB . LEU L 1 99 ? 37.259 116.444 105.965 1.00 16.79 ? ? ? ? ? ? 98 LEU L CB 1 +ATOM 22618 C CG . LEU L 1 99 ? 38.226 117.355 106.748 1.00 19.72 ? ? ? ? ? ? 98 LEU L CG 1 +ATOM 22619 C CD1 . LEU L 1 99 ? 38.577 118.558 105.880 1.00 12.65 ? ? ? ? ? ? 98 LEU L CD1 1 +ATOM 22620 C CD2 . LEU L 1 99 ? 37.660 117.796 108.110 1.00 15.15 ? ? ? ? ? ? 98 LEU L CD2 1 +ATOM 22621 N N . GLU L 1 100 ? 38.679 113.740 105.072 1.00 17.72 ? ? ? ? ? ? 99 GLU L N 1 +ATOM 22622 C CA . GLU L 1 100 ? 39.782 112.758 105.143 1.00 18.07 ? ? ? ? ? ? 99 GLU L CA 1 +ATOM 22623 C C . GLU L 1 100 ? 40.626 112.727 103.866 1.00 17.77 ? ? ? ? ? ? 99 GLU L C 1 +ATOM 22624 O O . GLU L 1 100 ? 41.856 112.720 103.921 1.00 17.25 ? ? ? ? ? ? 99 GLU L O 1 +ATOM 22625 C CB . GLU L 1 100 ? 39.265 111.348 105.453 1.00 18.71 ? ? ? ? ? ? 99 GLU L CB 1 +ATOM 22626 C CG . GLU L 1 100 ? 38.882 111.133 106.929 1.00 18.23 ? ? ? ? ? ? 99 GLU L CG 1 +ATOM 22627 C CD . GLU L 1 100 ? 38.093 109.841 107.218 1.00 22.51 ? ? ? ? ? ? 99 GLU L CD 1 +ATOM 22628 O OE1 . GLU L 1 100 ? 37.756 109.050 106.297 1.00 24.18 ? ? ? ? ? ? 99 GLU L OE1 1 +ATOM 22629 O OE2 . GLU L 1 100 ? 37.794 109.630 108.403 1.00 23.44 ? ? ? ? ? ? 99 GLU L OE2 1 +ATOM 22630 N N . ASP L 1 101 ? 39.962 112.702 102.714 1.00 16.90 ? ? ? ? ? ? 100 ASP L N 1 +ATOM 22631 C CA . ASP L 1 101 ? 40.654 112.653 101.423 1.00 17.02 ? ? ? ? ? ? 100 ASP L CA 1 +ATOM 22632 C C . ASP L 1 101 ? 41.418 113.947 101.118 1.00 17.56 ? ? ? ? ? ? 100 ASP L C 1 +ATOM 22633 O O . ASP L 1 101 ? 42.538 113.904 100.615 1.00 18.56 ? ? ? ? ? ? 100 ASP L O 1 +ATOM 22634 C CB . ASP L 1 101 ? 39.669 112.285 100.304 1.00 19.11 ? ? ? ? ? ? 100 ASP L CB 1 +ATOM 22635 C CG . ASP L 1 101 ? 39.242 110.810 100.361 1.00 20.00 ? ? ? ? ? ? 100 ASP L CG 1 +ATOM 22636 O OD1 . ASP L 1 101 ? 39.818 110.075 101.169 1.00 26.67 ? ? ? ? ? ? 100 ASP L OD1 1 +ATOM 22637 O OD2 . ASP L 1 101 ? 38.315 110.385 99.640 1.00 21.08 ? ? ? ? ? ? 100 ASP L OD2 1 +ATOM 22638 N N . ILE L 1 102 ? 40.840 115.097 101.459 1.00 17.88 ? ? ? ? ? ? 101 ILE L N 1 +ATOM 22639 C CA . ILE L 1 102 ? 41.536 116.386 101.353 1.00 16.12 ? ? ? ? ? ? 101 ILE L CA 1 +ATOM 22640 C C . ILE L 1 102 ? 42.799 116.417 102.269 1.00 17.30 ? ? ? ? ? ? 101 ILE L C 1 +ATOM 22641 O O . ILE L 1 102 ? 43.889 116.731 101.817 1.00 18.21 ? ? ? ? ? ? 101 ILE L O 1 +ATOM 22642 C CB . ILE L 1 102 ? 40.577 117.588 101.666 1.00 18.07 ? ? ? ? ? ? 101 ILE L CB 1 +ATOM 22643 C CG1 . ILE L 1 102 ? 39.490 117.721 100.590 1.00 13.95 ? ? ? ? ? ? 101 ILE L CG1 1 +ATOM 22644 C CG2 . ILE L 1 102 ? 41.324 118.908 101.757 1.00 15.98 ? ? ? ? ? ? 101 ILE L CG2 1 +ATOM 22645 C CD1 . ILE L 1 102 ? 38.293 118.605 101.038 1.00 15.65 ? ? ? ? ? ? 101 ILE L CD1 1 +ATOM 22646 N N . VAL L 1 103 ? 42.644 116.057 103.537 1.00 17.36 ? ? ? ? ? ? 102 VAL L N 1 +ATOM 22647 C CA . VAL L 1 103 ? 43.721 116.119 104.496 1.00 17.35 ? ? ? ? ? ? 102 VAL L CA 1 +ATOM 22648 C C . VAL L 1 103 ? 44.827 115.135 104.114 1.00 17.99 ? ? ? ? ? ? 102 VAL L C 1 +ATOM 22649 O O . VAL L 1 103 ? 46.003 115.449 104.192 1.00 18.96 ? ? ? ? ? ? 102 VAL L O 1 +ATOM 22650 C CB . VAL L 1 103 ? 43.192 115.897 105.946 1.00 18.52 ? ? ? ? ? ? 102 VAL L CB 1 +ATOM 22651 C CG1 . VAL L 1 103 ? 44.331 115.759 106.932 1.00 17.84 ? ? ? ? ? ? 102 VAL L CG1 1 +ATOM 22652 C CG2 . VAL L 1 103 ? 42.274 117.035 106.358 1.00 18.02 ? ? ? ? ? ? 102 VAL L CG2 1 +ATOM 22653 N N . SER L 1 104 ? 44.456 113.962 103.673 1.00 17.12 ? ? ? ? ? ? 103 SER L N 1 +ATOM 22654 C CA . SER L 1 104 ? 45.440 112.960 103.246 1.00 17.15 ? ? ? ? ? ? 103 SER L CA 1 +ATOM 22655 C C . SER L 1 104 ? 46.302 113.435 102.097 1.00 18.11 ? ? ? ? ? ? 103 SER L C 1 +ATOM 22656 O O . SER L 1 104 ? 47.500 113.236 102.091 1.00 19.43 ? ? ? ? ? ? 103 SER L O 1 +ATOM 22657 C CB . SER L 1 104 ? 44.723 111.651 102.875 1.00 13.76 ? ? ? ? ? ? 103 SER L CB 1 +ATOM 22658 O OG . SER L 1 104 ? 45.619 110.701 102.331 1.00 22.02 ? ? ? ? ? ? 103 SER L OG 1 +ATOM 22659 N N . SER L 1 105 ? 45.690 114.075 101.102 1.00 18.73 ? ? ? ? ? ? 104 SER L N 1 +ATOM 22660 C CA . SER L 1 105 ? 46.440 114.573 99.957 1.00 17.87 ? ? ? ? ? ? 104 SER L CA 1 +ATOM 22661 C C . SER L 1 105 ? 47.334 115.748 100.380 1.00 17.54 ? ? ? ? ? ? 104 SER L C 1 +ATOM 22662 O O . SER L 1 105 ? 48.489 115.797 99.985 1.00 18.06 ? ? ? ? ? ? 104 SER L O 1 +ATOM 22663 C CB . SER L 1 105 ? 45.503 114.985 98.800 1.00 18.17 ? ? ? ? ? ? 104 SER L CB 1 +ATOM 22664 O OG . SER L 1 105 ? 44.797 113.860 98.241 1.00 21.62 ? ? ? ? ? ? 104 SER L OG 1 +ATOM 22665 N N . LEU L 1 106 ? 46.797 116.687 101.156 1.00 17.36 ? ? ? ? ? ? 105 LEU L N 1 +ATOM 22666 C CA . LEU L 1 106 ? 47.549 117.876 101.559 1.00 17.78 ? ? ? ? ? ? 105 LEU L CA 1 +ATOM 22667 C C . LEU L 1 106 ? 48.736 117.497 102.448 1.00 18.75 ? ? ? ? ? ? 105 LEU L C 1 +ATOM 22668 O O . LEU L 1 106 ? 49.807 118.088 102.348 1.00 18.91 ? ? ? ? ? ? 105 LEU L O 1 +ATOM 22669 C CB . LEU L 1 106 ? 46.660 118.902 102.306 1.00 17.25 ? ? ? ? ? ? 105 LEU L CB 1 +ATOM 22670 C CG . LEU L 1 106 ? 45.515 119.610 101.571 1.00 19.58 ? ? ? ? ? ? 105 LEU L CG 1 +ATOM 22671 C CD1 . LEU L 1 106 ? 44.771 120.405 102.619 1.00 14.37 ? ? ? ? ? ? 105 LEU L CD1 1 +ATOM 22672 C CD2 . LEU L 1 106 ? 45.949 120.541 100.366 1.00 14.47 ? ? ? ? ? ? 105 LEU L CD2 1 +ATOM 22673 N N . HIS L 1 107 ? 48.551 116.518 103.315 1.00 19.39 ? ? ? ? ? ? 106 HIS L N 1 +ATOM 22674 C CA . HIS L 1 107 ? 49.621 116.016 104.171 1.00 21.35 ? ? ? ? ? ? 106 HIS L CA 1 +ATOM 22675 C C . HIS L 1 107 ? 50.774 115.406 103.372 1.00 20.85 ? ? ? ? ? ? 106 HIS L C 1 +ATOM 22676 O O . HIS L 1 107 ? 51.938 115.673 103.639 1.00 22.49 ? ? ? ? ? ? 106 HIS L O 1 +ATOM 22677 C CB . HIS L 1 107 ? 49.039 114.972 105.165 1.00 23.55 ? ? ? ? ? ? 106 HIS L CB 1 +ATOM 22678 C CG . HIS L 1 107 ? 49.988 114.588 106.253 1.00 24.73 ? ? ? ? ? ? 106 HIS L CG 1 +ATOM 22679 N ND1 . HIS L 1 107 ? 50.889 113.554 106.127 1.00 26.74 ? ? ? ? ? ? 106 HIS L ND1 1 +ATOM 22680 C CD2 . HIS L 1 107 ? 50.184 115.112 107.485 1.00 25.40 ? ? ? ? ? ? 106 HIS L CD2 1 +ATOM 22681 C CE1 . HIS L 1 107 ? 51.595 113.459 107.234 1.00 26.69 ? ? ? ? ? ? 106 HIS L CE1 1 +ATOM 22682 N NE2 . HIS L 1 107 ? 51.200 114.408 108.065 1.00 24.56 ? ? ? ? ? ? 106 HIS L NE2 1 +ATOM 22683 N N . VAL L 1 108 ? 50.438 114.570 102.401 1.00 21.64 ? ? ? ? ? ? 107 VAL L N 1 +ATOM 22684 C CA . VAL L 1 108 ? 51.402 113.981 101.473 1.00 22.53 ? ? ? ? ? ? 107 VAL L CA 1 +ATOM 22685 C C . VAL L 1 108 ? 52.190 115.084 100.738 1.00 22.05 ? ? ? ? ? ? 107 VAL L C 1 +ATOM 22686 O O . VAL L 1 108 ? 53.358 114.929 100.471 1.00 22.65 ? ? ? ? ? ? 107 VAL L O 1 +ATOM 22687 C CB . VAL L 1 108 ? 50.701 113.021 100.441 1.00 23.82 ? ? ? ? ? ? 107 VAL L CB 1 +ATOM 22688 C CG1 . VAL L 1 108 ? 51.604 112.756 99.236 1.00 26.18 ? ? ? ? ? ? 107 VAL L CG1 1 +ATOM 22689 C CG2 . VAL L 1 108 ? 50.302 111.697 101.103 1.00 26.23 ? ? ? ? ? ? 107 VAL L CG2 1 +ATOM 22690 N N . GLN L 1 109 ? 51.533 116.189 100.440 1.00 21.55 ? ? ? ? ? ? 108 GLN L N 1 +ATOM 22691 C CA . GLN L 1 109 ? 52.152 117.320 99.785 1.00 21.82 ? ? ? ? ? ? 108 GLN L CA 1 +ATOM 22692 C C . GLN L 1 109 ? 53.035 118.173 100.731 1.00 23.02 ? ? ? ? ? ? 108 GLN L C 1 +ATOM 22693 O O . GLN L 1 109 ? 53.718 119.061 100.275 1.00 23.52 ? ? ? ? ? ? 108 GLN L O 1 +ATOM 22694 C CB . GLN L 1 109 ? 51.074 118.178 99.117 1.00 22.15 ? ? ? ? ? ? 108 GLN L CB 1 +ATOM 22695 C CG . GLN L 1 109 ? 50.334 117.427 98.001 1.00 19.27 ? ? ? ? ? ? 108 GLN L CG 1 +ATOM 22696 C CD . GLN L 1 109 ? 48.925 117.913 97.773 1.00 19.80 ? ? ? ? ? ? 108 GLN L CD 1 +ATOM 22697 O OE1 . GLN L 1 109 ? 48.610 119.064 98.060 1.00 22.34 ? ? ? ? ? ? 108 GLN L OE1 1 +ATOM 22698 N NE2 . GLN L 1 109 ? 48.061 117.034 97.245 1.00 18.17 ? ? ? ? ? ? 108 GLN L NE2 1 +ATOM 22699 N N . GLY L 1 110 ? 53.029 117.891 102.035 1.00 23.08 ? ? ? ? ? ? 109 GLY L N 1 +ATOM 22700 C CA . GLY L 1 110 ? 53.887 118.594 103.007 1.00 22.09 ? ? ? ? ? ? 109 GLY L CA 1 +ATOM 22701 C C . GLY L 1 110 ? 53.188 119.712 103.771 1.00 22.05 ? ? ? ? ? ? 109 GLY L C 1 +ATOM 22702 O O . GLY L 1 110 ? 53.783 120.370 104.599 1.00 21.78 ? ? ? ? ? ? 109 GLY L O 1 +ATOM 22703 N N . PHE L 1 111 ? 51.905 119.910 103.527 1.00 20.84 ? ? ? ? ? ? 110 PHE L N 1 +ATOM 22704 C CA . PHE L 1 111 ? 51.153 120.935 104.221 1.00 19.78 ? ? ? ? ? ? 110 PHE L CA 1 +ATOM 22705 C C . PHE L 1 111 ? 50.726 120.447 105.585 1.00 20.64 ? ? ? ? ? ? 110 PHE L C 1 +ATOM 22706 O O . PHE L 1 111 ? 50.419 119.265 105.747 1.00 21.16 ? ? ? ? ? ? 110 PHE L O 1 +ATOM 22707 C CB . PHE L 1 111 ? 49.920 121.335 103.398 1.00 20.46 ? ? ? ? ? ? 110 PHE L CB 1 +ATOM 22708 C CG . PHE L 1 111 ? 50.267 121.913 102.056 1.00 20.62 ? ? ? ? ? ? 110 PHE L CG 1 +ATOM 22709 C CD1 . PHE L 1 111 ? 51.012 123.093 101.964 1.00 22.58 ? ? ? ? ? ? 110 PHE L CD1 1 +ATOM 22710 C CD2 . PHE L 1 111 ? 49.841 121.313 100.891 1.00 23.22 ? ? ? ? ? ? 110 PHE L CD2 1 +ATOM 22711 C CE1 . PHE L 1 111 ? 51.320 123.624 100.741 1.00 21.59 ? ? ? ? ? ? 110 PHE L CE1 1 +ATOM 22712 C CE2 . PHE L 1 111 ? 50.161 121.853 99.663 1.00 19.56 ? ? ? ? ? ? 110 PHE L CE2 1 +ATOM 22713 C CZ . PHE L 1 111 ? 50.897 122.999 99.593 1.00 19.73 ? ? ? ? ? ? 110 PHE L CZ 1 +ATOM 22714 N N . ARG L 1 112 ? 50.676 121.374 106.547 1.00 19.90 ? ? ? ? ? ? 111 ARG L N 1 +ATOM 22715 C CA . ARG L 1 112 ? 50.468 121.045 107.951 1.00 21.56 ? ? ? ? ? ? 111 ARG L CA 1 +ATOM 22716 C C . ARG L 1 112 ? 49.516 121.990 108.664 1.00 20.71 ? ? ? ? ? ? 111 ARG L C 1 +ATOM 22717 O O . ARG L 1 112 ? 49.401 121.921 109.880 1.00 20.88 ? ? ? ? ? ? 111 ARG L O 1 +ATOM 22718 C CB . ARG L 1 112 ? 51.806 121.046 108.712 1.00 21.33 ? ? ? ? ? ? 111 ARG L CB 1 +ATOM 22719 C CG . ARG L 1 112 ? 52.785 119.986 108.228 1.00 21.63 ? ? ? ? ? ? 111 ARG L CG 1 +ATOM 22720 C CD . ARG L 1 112 ? 52.345 118.613 108.619 1.00 21.32 ? ? ? ? ? ? 111 ARG L CD 1 +ATOM 22721 N NE . ARG L 1 112 ? 53.319 117.624 108.200 1.00 21.87 ? ? ? ? ? ? 111 ARG L NE 1 +ATOM 22722 C CZ . ARG L 1 112 ? 53.338 117.010 107.024 1.00 23.77 ? ? ? ? ? ? 111 ARG L CZ 1 +ATOM 22723 N NH1 . ARG L 1 112 ? 52.431 117.263 106.085 1.00 24.33 ? ? ? ? ? ? 111 ARG L NH1 1 +ATOM 22724 N NH2 . ARG L 1 112 ? 54.267 116.122 106.773 1.00 22.55 ? ? ? ? ? ? 111 ARG L NH2 1 +ATOM 22725 N N . LYS L 1 113 ? 48.860 122.889 107.942 1.00 19.95 ? ? ? ? ? ? 112 LYS L N 1 +ATOM 22726 C CA . LYS L 1 113 ? 47.949 123.832 108.567 1.00 19.97 ? ? ? ? ? ? 112 LYS L CA 1 +ATOM 22727 C C . LYS L 1 113 ? 46.774 124.094 107.642 1.00 19.57 ? ? ? ? ? ? 112 LYS L C 1 +ATOM 22728 O O . LYS L 1 113 ? 46.976 124.427 106.460 1.00 19.92 ? ? ? ? ? ? 112 LYS L O 1 +ATOM 22729 C CB . LYS L 1 113 ? 48.670 125.130 108.852 1.00 22.29 ? ? ? ? ? ? 112 LYS L CB 1 +ATOM 22730 C CG . LYS L 1 113 ? 49.949 124.951 109.674 1.00 28.40 ? ? ? ? ? ? 112 LYS L CG 1 +ATOM 22731 C CD . LYS L 1 113 ? 50.701 126.219 109.895 1.00 33.24 ? ? ? ? ? ? 112 LYS L CD 1 +ATOM 22732 C CE . LYS L 1 113 ? 51.954 125.952 110.767 1.00 39.94 ? ? ? ? ? ? 112 LYS L CE 1 +ATOM 22733 N NZ . LYS L 1 113 ? 51.665 125.661 112.224 1.00 39.72 ? ? ? ? ? ? 112 LYS L NZ 1 +ATOM 22734 N N . LEU L 1 114 ? 45.564 123.958 108.177 1.00 18.93 ? ? ? ? ? ? 113 LEU L N 1 +ATOM 22735 C CA . LEU L 1 114 ? 44.330 124.108 107.403 1.00 18.45 ? ? ? ? ? ? 113 LEU L CA 1 +ATOM 22736 C C . LEU L 1 114 ? 43.270 124.840 108.208 1.00 17.81 ? ? ? ? ? ? 113 LEU L C 1 +ATOM 22737 O O . LEU L 1 114 ? 43.041 124.538 109.371 1.00 19.27 ? ? ? ? ? ? 113 LEU L O 1 +ATOM 22738 C CB . LEU L 1 114 ? 43.803 122.711 106.998 1.00 16.64 ? ? ? ? ? ? 113 LEU L CB 1 +ATOM 22739 C CG . LEU L 1 114 ? 42.462 122.578 106.288 1.00 19.14 ? ? ? ? ? ? 113 LEU L CG 1 +ATOM 22740 C CD1 . LEU L 1 114 ? 42.524 123.260 104.880 1.00 12.68 ? ? ? ? ? ? 113 LEU L CD1 1 +ATOM 22741 C CD2 . LEU L 1 114 ? 42.025 121.072 106.214 1.00 18.66 ? ? ? ? ? ? 113 LEU L CD2 1 +ATOM 22742 N N . LEU L 1 115 ? 42.616 125.801 107.592 1.00 17.88 ? ? ? ? ? ? 114 LEU L N 1 +ATOM 22743 C CA . LEU L 1 115 ? 41.432 126.411 108.146 1.00 17.55 ? ? ? ? ? ? 114 LEU L CA 1 +ATOM 22744 C C . LEU L 1 115 ? 40.267 126.057 107.249 1.00 17.66 ? ? ? ? ? ? 114 LEU L C 1 +ATOM 22745 O O . LEU L 1 115 ? 40.343 126.303 106.075 1.00 18.64 ? ? ? ? ? ? 114 LEU L O 1 +ATOM 22746 C CB . LEU L 1 115 ? 41.559 127.933 108.219 1.00 18.74 ? ? ? ? ? ? 114 LEU L CB 1 +ATOM 22747 C CG . LEU L 1 115 ? 40.278 128.615 108.718 1.00 17.53 ? ? ? ? ? ? 114 LEU L CG 1 +ATOM 22748 C CD1 . LEU L 1 115 ? 40.142 128.461 110.274 1.00 13.54 ? ? ? ? ? ? 114 LEU L CD1 1 +ATOM 22749 C CD2 . LEU L 1 115 ? 40.218 130.067 108.306 1.00 20.82 ? ? ? ? ? ? 114 LEU L CD2 1 +ATOM 22750 N N . ILE L 1 116 ? 39.218 125.478 107.840 1.00 17.38 ? ? ? ? ? ? 115 ILE L N 1 +ATOM 22751 C CA . ILE L 1 116 ? 37.957 125.240 107.187 1.00 17.86 ? ? ? ? ? ? 115 ILE L CA 1 +ATOM 22752 C C . ILE L 1 116 ? 37.120 126.478 107.447 1.00 18.20 ? ? ? ? ? ? 115 ILE L C 1 +ATOM 22753 O O . ILE L 1 116 ? 36.821 126.791 108.587 1.00 18.90 ? ? ? ? ? ? 115 ILE L O 1 +ATOM 22754 C CB . ILE L 1 116 ? 37.191 123.942 107.723 1.00 18.70 ? ? ? ? ? ? 115 ILE L CB 1 +ATOM 22755 C CG1 . ILE L 1 116 ? 38.060 122.681 107.571 1.00 21.49 ? ? ? ? ? ? 115 ILE L CG1 1 +ATOM 22756 C CG2 . ILE L 1 116 ? 35.938 123.756 106.946 1.00 17.90 ? ? ? ? ? ? 115 ILE L CG2 1 +ATOM 22757 C CD1 . ILE L 1 116 ? 37.516 121.388 108.266 1.00 18.57 ? ? ? ? ? ? 115 ILE L CD1 1 +ATOM 22758 N N . LEU L 1 117 ? 36.790 127.214 106.396 1.00 17.93 ? ? ? ? ? ? 116 LEU L N 1 +ATOM 22759 C CA . LEU L 1 117 ? 35.976 128.411 106.525 1.00 17.38 ? ? ? ? ? ? 116 LEU L CA 1 +ATOM 22760 C C . LEU L 1 117 ? 34.608 128.068 105.970 1.00 17.82 ? ? ? ? ? ? 116 LEU L C 1 +ATOM 22761 O O . LEU L 1 117 ? 34.423 128.007 104.749 1.00 17.93 ? ? ? ? ? ? 116 LEU L O 1 +ATOM 22762 C CB . LEU L 1 117 ? 36.601 129.567 105.753 1.00 17.21 ? ? ? ? ? ? 116 LEU L CB 1 +ATOM 22763 C CG . LEU L 1 117 ? 35.993 130.956 105.997 1.00 20.06 ? ? ? ? ? ? 116 LEU L CG 1 +ATOM 22764 C CD1 . LEU L 1 117 ? 35.975 131.349 107.486 1.00 15.42 ? ? ? ? ? ? 116 LEU L CD1 1 +ATOM 22765 C CD2 . LEU L 1 117 ? 36.801 131.966 105.188 1.00 18.68 ? ? ? ? ? ? 116 LEU L CD2 1 +ATOM 22766 N N . SER L 1 118 ? 33.655 127.844 106.876 1.00 18.32 ? ? ? ? ? ? 117 SER L N 1 +ATOM 22767 C CA . SER L 1 118 ? 32.319 127.390 106.481 1.00 18.77 ? ? ? ? ? ? 117 SER L CA 1 +ATOM 22768 C C . SER L 1 118 ? 31.404 128.564 106.145 1.00 20.38 ? ? ? ? ? ? 117 SER L C 1 +ATOM 22769 O O . SER L 1 118 ? 31.415 129.570 106.828 1.00 20.75 ? ? ? ? ? ? 117 SER L O 1 +ATOM 22770 C CB . SER L 1 118 ? 31.702 126.508 107.582 1.00 17.84 ? ? ? ? ? ? 117 SER L CB 1 +ATOM 22771 O OG . SER L 1 118 ? 30.334 126.158 107.333 1.00 19.42 ? ? ? ? ? ? 117 SER L OG 1 +ATOM 22772 N N . GLY L 1 119 ? 30.574 128.399 105.109 1.00 21.07 ? ? ? ? ? ? 118 GLY L N 1 +ATOM 22773 C CA . GLY L 1 119 ? 29.482 129.330 104.841 1.00 20.53 ? ? ? ? ? ? 118 GLY L CA 1 +ATOM 22774 C C . GLY L 1 119 ? 28.125 128.818 105.256 1.00 20.14 ? ? ? ? ? ? 118 GLY L C 1 +ATOM 22775 O O . GLY L 1 119 ? 27.127 129.506 105.068 1.00 22.05 ? ? ? ? ? ? 118 GLY L O 1 +ATOM 22776 N N . HIS L 1 120 ? 28.055 127.619 105.827 1.00 20.14 ? ? ? ? ? ? 119 HIS L N 1 +ATOM 22777 C CA . HIS L 1 120 ? 26.770 127.010 106.202 1.00 21.18 ? ? ? ? ? ? 119 HIS L CA 1 +ATOM 22778 C C . HIS L 1 120 ? 26.803 126.510 107.651 1.00 22.57 ? ? ? ? ? ? 119 HIS L C 1 +ATOM 22779 O O . HIS L 1 120 ? 27.610 125.640 108.005 1.00 23.59 ? ? ? ? ? ? 119 HIS L O 1 +ATOM 22780 C CB . HIS L 1 120 ? 26.484 125.866 105.251 1.00 22.35 ? ? ? ? ? ? 119 HIS L CB 1 +ATOM 22781 C CG . HIS L 1 120 ? 25.270 125.063 105.580 1.00 17.83 ? ? ? ? ? ? 119 HIS L CG 1 +ATOM 22782 N ND1 . HIS L 1 120 ? 24.011 125.608 105.659 1.00 24.54 ? ? ? ? ? ? 119 HIS L ND1 1 +ATOM 22783 C CD2 . HIS L 1 120 ? 25.113 123.734 105.772 1.00 22.60 ? ? ? ? ? ? 119 HIS L CD2 1 +ATOM 22784 C CE1 . HIS L 1 120 ? 23.134 124.660 105.936 1.00 23.64 ? ? ? ? ? ? 119 HIS L CE1 1 +ATOM 22785 N NE2 . HIS L 1 120 ? 23.775 123.509 106.002 1.00 21.34 ? ? ? ? ? ? 119 HIS L NE2 1 +ATOM 22786 N N . GLY L 1 121 ? 25.925 127.084 108.479 1.00 22.69 ? ? ? ? ? ? 120 GLY L N 1 +ATOM 22787 C CA . GLY L 1 121 ? 25.900 126.812 109.908 1.00 23.24 ? ? ? ? ? ? 120 GLY L CA 1 +ATOM 22788 C C . GLY L 1 121 ? 25.477 125.400 110.253 1.00 23.53 ? ? ? ? ? ? 120 GLY L C 1 +ATOM 22789 O O . GLY L 1 121 ? 25.801 124.891 111.311 1.00 25.11 ? ? ? ? ? ? 120 GLY L O 1 +ATOM 22790 N N . GLY L 1 122 ? 24.756 124.754 109.357 1.00 23.68 ? ? ? ? ? ? 121 GLY L N 1 +ATOM 22791 C CA . GLY L 1 122 ? 24.460 123.328 109.517 1.00 23.19 ? ? ? ? ? ? 121 GLY L CA 1 +ATOM 22792 C C . GLY L 1 122 ? 25.674 122.409 109.458 1.00 22.68 ? ? ? ? ? ? 121 GLY L C 1 +ATOM 22793 O O . GLY L 1 122 ? 25.600 121.248 109.844 1.00 22.93 ? ? ? ? ? ? 121 GLY L O 1 +ATOM 22794 N N . ASN L 1 123 ? 26.792 122.928 108.967 1.00 22.54 ? ? ? ? ? ? 122 ASN L N 1 +ATOM 22795 C CA . ASN L 1 123 ? 28.046 122.178 108.949 1.00 21.59 ? ? ? ? ? ? 122 ASN L CA 1 +ATOM 22796 C C . ASN L 1 123 ? 28.703 122.238 110.330 1.00 22.27 ? ? ? ? ? ? 122 ASN L C 1 +ATOM 22797 O O . ASN L 1 123 ? 28.866 123.322 110.918 1.00 21.96 ? ? ? ? ? ? 122 ASN L O 1 +ATOM 22798 C CB . ASN L 1 123 ? 29.020 122.705 107.893 1.00 19.94 ? ? ? ? ? ? 122 ASN L CB 1 +ATOM 22799 C CG . ASN L 1 123 ? 28.548 122.491 106.488 1.00 22.66 ? ? ? ? ? ? 122 ASN L CG 1 +ATOM 22800 O OD1 . ASN L 1 123 ? 27.812 121.528 106.195 1.00 22.55 ? ? ? ? ? ? 122 ASN L OD1 1 +ATOM 22801 N ND2 . ASN L 1 123 ? 28.963 123.394 105.582 1.00 18.61 ? ? ? ? ? ? 122 ASN L ND2 1 +ATOM 22802 N N . ASN L 1 124 ? 29.070 121.062 110.847 1.00 21.40 ? ? ? ? ? ? 123 ASN L N 1 +ATOM 22803 C CA . ASN L 1 124 ? 29.790 120.932 112.126 1.00 22.74 ? ? ? ? ? ? 123 ASN L CA 1 +ATOM 22804 C C . ASN L 1 124 ? 31.054 120.070 111.922 1.00 20.89 ? ? ? ? ? ? 123 ASN L C 1 +ATOM 22805 O O . ASN L 1 124 ? 30.968 118.939 111.448 1.00 21.80 ? ? ? ? ? ? 123 ASN L O 1 +ATOM 22806 C CB . ASN L 1 124 ? 28.855 120.342 113.187 1.00 25.45 ? ? ? ? ? ? 123 ASN L CB 1 +ATOM 22807 C CG . ASN L 1 124 ? 27.815 121.368 113.688 1.00 31.21 ? ? ? ? ? ? 123 ASN L CG 1 +ATOM 22808 O OD1 . ASN L 1 124 ? 28.154 122.285 114.450 1.00 39.23 ? ? ? ? ? ? 123 ASN L OD1 1 +ATOM 22809 N ND2 . ASN L 1 124 ? 26.547 121.222 113.242 1.00 31.09 ? ? ? ? ? ? 123 ASN L ND2 1 +ATOM 22810 N N . PHE L 1 125 ? 32.209 120.631 112.240 1.00 19.86 ? ? ? ? ? ? 124 PHE L N 1 +ATOM 22811 C CA . PHE L 1 125 ? 33.494 120.018 111.964 1.00 19.22 ? ? ? ? ? ? 124 PHE L CA 1 +ATOM 22812 C C . PHE L 1 125 ? 34.261 119.597 113.194 1.00 18.89 ? ? ? ? ? ? 124 PHE L C 1 +ATOM 22813 O O . PHE L 1 125 ? 35.322 119.038 113.067 1.00 19.61 ? ? ? ? ? ? 124 PHE L O 1 +ATOM 22814 C CB . PHE L 1 125 ? 34.366 120.993 111.128 1.00 18.45 ? ? ? ? ? ? 124 PHE L CB 1 +ATOM 22815 C CG . PHE L 1 125 ? 33.726 121.384 109.815 1.00 21.12 ? ? ? ? ? ? 124 PHE L CG 1 +ATOM 22816 C CD1 . PHE L 1 125 ? 33.703 120.490 108.746 1.00 21.67 ? ? ? ? ? ? 124 PHE L CD1 1 +ATOM 22817 C CD2 . PHE L 1 125 ? 33.081 122.619 109.659 1.00 17.28 ? ? ? ? ? ? 124 PHE L CD2 1 +ATOM 22818 C CE1 . PHE L 1 125 ? 33.074 120.825 107.534 1.00 15.06 ? ? ? ? ? ? 124 PHE L CE1 1 +ATOM 22819 C CE2 . PHE L 1 125 ? 32.436 122.938 108.445 1.00 15.08 ? ? ? ? ? ? 124 PHE L CE2 1 +ATOM 22820 C CZ . PHE L 1 125 ? 32.452 122.029 107.397 1.00 17.84 ? ? ? ? ? ? 124 PHE L CZ 1 +ATOM 22821 N N . LYS L 1 126 ? 33.758 119.860 114.395 1.00 19.45 ? ? ? ? ? ? 125 LYS L N 1 +ATOM 22822 C CA . LYS L 1 126 ? 34.590 119.627 115.583 1.00 19.31 ? ? ? ? ? ? 125 LYS L CA 1 +ATOM 22823 C C . LYS L 1 126 ? 34.990 118.157 115.759 1.00 18.91 ? ? ? ? ? ? 125 LYS L C 1 +ATOM 22824 O O . LYS L 1 126 ? 36.154 117.858 116.039 1.00 20.28 ? ? ? ? ? ? 125 LYS L O 1 +ATOM 22825 C CB . LYS L 1 126 ? 33.879 120.118 116.860 1.00 20.29 ? ? ? ? ? ? 125 LYS L CB 1 +ATOM 22826 C CG . LYS L 1 126 ? 33.667 121.614 116.931 1.00 18.59 ? ? ? ? ? ? 125 LYS L CG 1 +ATOM 22827 C CD . LYS L 1 126 ? 32.988 121.982 118.250 1.00 23.82 ? ? ? ? ? ? 125 LYS L CD 1 +ATOM 22828 C CE . LYS L 1 126 ? 32.962 123.490 118.562 1.00 24.98 ? ? ? ? ? ? 125 LYS L CE 1 +ATOM 22829 N NZ . LYS L 1 126 ? 32.680 124.252 117.337 1.00 32.13 ? ? ? ? ? ? 125 LYS L NZ 1 +ATOM 22830 N N . GLY L 1 127 ? 34.004 117.273 115.634 1.00 17.78 ? ? ? ? ? ? 126 GLY L N 1 +ATOM 22831 C CA . GLY L 1 127 ? 34.205 115.821 115.712 1.00 18.51 ? ? ? ? ? ? 126 GLY L CA 1 +ATOM 22832 C C . GLY L 1 127 ? 35.150 115.242 114.675 1.00 19.44 ? ? ? ? ? ? 126 GLY L C 1 +ATOM 22833 O O . GLY L 1 127 ? 35.990 114.377 114.986 1.00 18.12 ? ? ? ? ? ? 126 GLY L O 1 +ATOM 22834 N N . MSE L 1 128 ? 35.010 115.720 113.448 1.00 19.32 ? ? ? ? ? ? 127 MSE L N 1 +ATOM 22835 C CA . MSE L 1 128 ? 35.927 115.360 112.361 1.00 19.82 ? ? ? ? ? ? 127 MSE L CA 1 +ATOM 22836 C C . MSE L 1 128 ? 37.337 115.782 112.667 1.00 18.00 ? ? ? ? ? ? 127 MSE L C 1 +ATOM 22837 O O . MSE L 1 128 ? 38.278 115.061 112.392 1.00 17.49 ? ? ? ? ? ? 127 MSE L O 1 +ATOM 22838 C CB . MSE L 1 128 ? 35.511 116.087 111.071 1.00 21.71 ? ? ? ? ? ? 127 MSE L CB 1 +ATOM 22839 C CG . MSE L 1 128 ? 34.178 115.680 110.547 1.00 21.47 ? ? ? ? ? ? 127 MSE L CG 1 +ATOM 22840 SE SE . MSE L 1 128 ? 33.850 116.507 108.826 0.75 22.16 ? ? ? ? ? ? 127 MSE L SE 1 +ATOM 22841 C CE . MSE L 1 128 ? 31.967 116.566 108.964 1.00 15.36 ? ? ? ? ? ? 127 MSE L CE 1 +ATOM 22842 N N . ILE L 1 129 ? 37.471 116.989 113.186 1.00 18.53 ? ? ? ? ? ? 128 ILE L N 1 +ATOM 22843 C CA . ILE L 1 129 ? 38.786 117.562 113.497 1.00 18.42 ? ? ? ? ? ? 128 ILE L CA 1 +ATOM 22844 C C . ILE L 1 129 ? 39.430 116.774 114.633 1.00 18.41 ? ? ? ? ? ? 128 ILE L C 1 +ATOM 22845 O O . ILE L 1 129 ? 40.621 116.504 114.585 1.00 18.15 ? ? ? ? ? ? 128 ILE L O 1 +ATOM 22846 C CB . ILE L 1 129 ? 38.678 119.080 113.854 1.00 17.22 ? ? ? ? ? ? 128 ILE L CB 1 +ATOM 22847 C CG1 . ILE L 1 129 ? 38.510 119.875 112.583 1.00 19.61 ? ? ? ? ? ? 128 ILE L CG1 1 +ATOM 22848 C CG2 . ILE L 1 129 ? 39.920 119.559 114.619 1.00 20.04 ? ? ? ? ? ? 128 ILE L CG2 1 +ATOM 22849 C CD1 . ILE L 1 129 ? 38.212 121.330 112.769 1.00 15.52 ? ? ? ? ? ? 128 ILE L CD1 1 +ATOM 22850 N N . ARG L 1 130 ? 38.632 116.380 115.632 1.00 18.41 ? ? ? ? ? ? 129 ARG L N 1 +ATOM 22851 C CA . ARG L 1 130 ? 39.146 115.585 116.742 1.00 18.48 ? ? ? ? ? ? 129 ARG L CA 1 +ATOM 22852 C C . ARG L 1 130 ? 39.694 114.233 116.310 1.00 19.26 ? ? ? ? ? ? 129 ARG L C 1 +ATOM 22853 O O . ARG L 1 130 ? 40.784 113.830 116.730 1.00 19.82 ? ? ? ? ? ? 129 ARG L O 1 +ATOM 22854 C CB . ARG L 1 130 ? 38.075 115.350 117.779 1.00 19.94 ? ? ? ? ? ? 129 ARG L CB 1 +ATOM 22855 C CG . ARG L 1 130 ? 37.800 116.556 118.664 1.00 21.96 ? ? ? ? ? ? 129 ARG L CG 1 +ATOM 22856 C CD . ARG L 1 130 ? 36.849 116.205 119.794 1.00 21.92 ? ? ? ? ? ? 129 ARG L CD 1 +ATOM 22857 N NE . ARG L 1 130 ? 36.913 117.236 120.830 1.00 20.98 ? ? ? ? ? ? 129 ARG L NE 1 +ATOM 22858 C CZ . ARG L 1 130 ? 36.004 118.184 120.980 1.00 23.92 ? ? ? ? ? ? 129 ARG L CZ 1 +ATOM 22859 N NH1 . ARG L 1 130 ? 34.905 118.209 120.217 1.00 24.33 ? ? ? ? ? ? 129 ARG L NH1 1 +ATOM 22860 N NH2 . ARG L 1 130 ? 36.168 119.082 121.927 1.00 23.54 ? ? ? ? ? ? 129 ARG L NH2 1 +ATOM 22861 N N . ASP L 1 131 ? 38.933 113.543 115.471 1.00 18.93 ? ? ? ? ? ? 130 ASP L N 1 +ATOM 22862 C CA . ASP L 1 131 ? 39.331 112.214 114.965 1.00 19.38 ? ? ? ? ? ? 130 ASP L CA 1 +ATOM 22863 C C . ASP L 1 131 ? 40.577 112.335 114.074 1.00 19.35 ? ? ? ? ? ? 130 ASP L C 1 +ATOM 22864 O O . ASP L 1 131 ? 41.477 111.490 114.115 1.00 20.46 ? ? ? ? ? ? 130 ASP L O 1 +ATOM 22865 C CB . ASP L 1 131 ? 38.146 111.525 114.230 1.00 19.71 ? ? ? ? ? ? 130 ASP L CB 1 +ATOM 22866 C CG . ASP L 1 131 ? 36.966 111.167 115.168 1.00 23.39 ? ? ? ? ? ? 130 ASP L CG 1 +ATOM 22867 O OD1 . ASP L 1 131 ? 37.155 111.145 116.415 1.00 24.14 ? ? ? ? ? ? 130 ASP L OD1 1 +ATOM 22868 O OD2 . ASP L 1 131 ? 35.841 110.878 114.650 1.00 21.07 ? ? ? ? ? ? 130 ASP L OD2 1 +ATOM 22869 N N . LEU L 1 132 ? 40.656 113.408 113.304 1.00 19.42 ? ? ? ? ? ? 131 LEU L N 1 +ATOM 22870 C CA . LEU L 1 132 ? 41.817 113.629 112.443 1.00 20.15 ? ? ? ? ? ? 131 LEU L CA 1 +ATOM 22871 C C . LEU L 1 132 ? 43.083 113.988 113.227 1.00 20.53 ? ? ? ? ? ? 131 LEU L C 1 +ATOM 22872 O O . LEU L 1 132 ? 44.203 113.688 112.783 1.00 20.96 ? ? ? ? ? ? 131 LEU L O 1 +ATOM 22873 C CB . LEU L 1 132 ? 41.525 114.675 111.358 1.00 20.46 ? ? ? ? ? ? 131 LEU L CB 1 +ATOM 22874 C CG . LEU L 1 132 ? 40.803 114.114 110.115 1.00 23.67 ? ? ? ? ? ? 131 LEU L CG 1 +ATOM 22875 C CD1 . LEU L 1 132 ? 40.218 115.231 109.362 1.00 22.07 ? ? ? ? ? ? 131 LEU L CD1 1 +ATOM 22876 C CD2 . LEU L 1 132 ? 41.698 113.239 109.209 1.00 15.69 ? ? ? ? ? ? 131 LEU L CD2 1 +ATOM 22877 N N . ALA L 1 133 ? 42.904 114.620 114.383 1.00 21.42 ? ? ? ? ? ? 132 ALA L N 1 +ATOM 22878 C CA . ALA L 1 133 ? 44.022 115.040 115.232 1.00 21.85 ? ? ? ? ? ? 132 ALA L CA 1 +ATOM 22879 C C . ALA L 1 133 ? 44.823 113.844 115.686 1.00 22.04 ? ? ? ? ? ? 132 ALA L C 1 +ATOM 22880 O O . ALA L 1 133 ? 46.048 113.921 115.820 1.00 24.06 ? ? ? ? ? ? 132 ALA L O 1 +ATOM 22881 C CB . ALA L 1 133 ? 43.514 115.829 116.417 1.00 20.99 ? ? ? ? ? ? 132 ALA L CB 1 +ATOM 22882 N N . PHE L 1 134 ? 44.149 112.730 115.901 1.00 23.99 ? ? ? ? ? ? 133 PHE L N 1 +ATOM 22883 C CA . PHE L 1 134 ? 44.817 111.488 116.304 1.00 25.33 ? ? ? ? ? ? 133 PHE L CA 1 +ATOM 22884 C C . PHE L 1 134 ? 45.399 110.763 115.100 1.00 26.26 ? ? ? ? ? ? 133 PHE L C 1 +ATOM 22885 O O . PHE L 1 134 ? 46.428 110.115 115.222 1.00 27.55 ? ? ? ? ? ? 133 PHE L O 1 +ATOM 22886 C CB . PHE L 1 134 ? 43.843 110.559 117.059 1.00 26.26 ? ? ? ? ? ? 133 PHE L CB 1 +ATOM 22887 C CG . PHE L 1 134 ? 43.327 111.128 118.340 1.00 24.24 ? ? ? ? ? ? 133 PHE L CG 1 +ATOM 22888 C CD1 . PHE L 1 134 ? 44.197 111.548 119.342 1.00 27.73 ? ? ? ? ? ? 133 PHE L CD1 1 +ATOM 22889 C CD2 . PHE L 1 134 ? 41.961 111.233 118.568 1.00 26.19 ? ? ? ? ? ? 133 PHE L CD2 1 +ATOM 22890 C CE1 . PHE L 1 134 ? 43.724 112.078 120.543 1.00 24.03 ? ? ? ? ? ? 133 PHE L CE1 1 +ATOM 22891 C CE2 . PHE L 1 134 ? 41.478 111.782 119.772 1.00 23.82 ? ? ? ? ? ? 133 PHE L CE2 1 +ATOM 22892 C CZ . PHE L 1 134 ? 42.347 112.178 120.762 1.00 23.05 ? ? ? ? ? ? 133 PHE L CZ 1 +ATOM 22893 N N . GLU L 1 135 ? 44.768 110.874 113.927 1.00 27.06 ? ? ? ? ? ? 134 GLU L N 1 +ATOM 22894 C CA . GLU L 1 135 ? 45.315 110.247 112.710 1.00 31.99 ? ? ? ? ? ? 134 GLU L CA 1 +ATOM 22895 C C . GLU L 1 135 ? 46.517 111.039 112.194 1.00 26.03 ? ? ? ? ? ? 134 GLU L C 1 +ATOM 22896 O O . GLU L 1 135 ? 47.490 110.456 111.714 1.00 25.11 ? ? ? ? ? ? 134 GLU L O 1 +ATOM 22897 C CB . GLU L 1 135 ? 44.285 110.180 111.552 1.00 33.97 ? ? ? ? ? ? 134 GLU L CB 1 +ATOM 22898 C CG . GLU L 1 135 ? 43.064 109.242 111.687 1.00 42.68 ? ? ? ? ? ? 134 GLU L CG 1 +ATOM 22899 C CD . GLU L 1 135 ? 42.105 109.412 110.459 1.00 46.35 ? ? ? ? ? ? 134 GLU L CD 1 +ATOM 22900 O OE1 . GLU L 1 135 ? 40.898 109.746 110.635 1.00 48.77 ? ? ? ? ? ? 134 GLU L OE1 1 +ATOM 22901 O OE2 . GLU L 1 135 ? 42.581 109.253 109.301 1.00 67.73 ? ? ? ? ? ? 134 GLU L OE2 1 +ATOM 22902 N N . TYR L 1 136 ? 46.416 112.368 112.234 1.00 23.56 ? ? ? ? ? ? 135 TYR L N 1 +ATOM 22903 C CA . TYR L 1 136 ? 47.496 113.261 111.755 1.00 22.19 ? ? ? ? ? ? 135 TYR L CA 1 +ATOM 22904 C C . TYR L 1 136 ? 47.907 114.250 112.861 1.00 23.05 ? ? ? ? ? ? 135 TYR L C 1 +ATOM 22905 O O . TYR L 1 136 ? 47.560 115.425 112.818 1.00 20.98 ? ? ? ? ? ? 135 TYR L O 1 +ATOM 22906 C CB . TYR L 1 136 ? 47.051 114.044 110.519 1.00 22.59 ? ? ? ? ? ? 135 TYR L CB 1 +ATOM 22907 C CG . TYR L 1 136 ? 46.627 113.186 109.345 1.00 21.61 ? ? ? ? ? ? 135 TYR L CG 1 +ATOM 22908 C CD1 . TYR L 1 136 ? 47.560 112.708 108.425 1.00 23.19 ? ? ? ? ? ? 135 TYR L CD1 1 +ATOM 22909 C CD2 . TYR L 1 136 ? 45.301 112.827 109.181 1.00 19.68 ? ? ? ? ? ? 135 TYR L CD2 1 +ATOM 22910 C CE1 . TYR L 1 136 ? 47.169 111.923 107.336 1.00 25.09 ? ? ? ? ? ? 135 TYR L CE1 1 +ATOM 22911 C CE2 . TYR L 1 136 ? 44.891 112.039 108.122 1.00 23.12 ? ? ? ? ? ? 135 TYR L CE2 1 +ATOM 22912 C CZ . TYR L 1 136 ? 45.815 111.594 107.183 1.00 26.85 ? ? ? ? ? ? 135 TYR L CZ 1 +ATOM 22913 O OH . TYR L 1 136 ? 45.361 110.803 106.127 1.00 23.47 ? ? ? ? ? ? 135 TYR L OH 1 +ATOM 22914 N N . PRO L 1 137 ? 48.675 113.782 113.845 1.00 24.69 ? ? ? ? ? ? 136 PRO L N 1 +ATOM 22915 C CA . PRO L 1 137 ? 48.962 114.649 114.991 1.00 25.49 ? ? ? ? ? ? 136 PRO L CA 1 +ATOM 22916 C C . PRO L 1 137 ? 49.776 115.885 114.652 1.00 25.91 ? ? ? ? ? ? 136 PRO L C 1 +ATOM 22917 O O . PRO L 1 137 ? 49.754 116.854 115.420 1.00 27.33 ? ? ? ? ? ? 136 PRO L O 1 +ATOM 22918 C CB . PRO L 1 137 ? 49.704 113.727 115.956 1.00 27.32 ? ? ? ? ? ? 136 PRO L CB 1 +ATOM 22919 C CG . PRO L 1 137 ? 50.218 112.566 115.104 1.00 26.87 ? ? ? ? ? ? 136 PRO L CG 1 +ATOM 22920 C CD . PRO L 1 137 ? 49.268 112.433 113.975 1.00 26.91 ? ? ? ? ? ? 136 PRO L CD 1 +ATOM 22921 N N . ASP L 1 138 ? 50.417 115.898 113.486 1.00 25.89 ? ? ? ? ? ? 137 ASP L N 1 +ATOM 22922 C CA . ASP L 1 138 ? 51.233 117.035 113.059 1.00 25.91 ? ? ? ? ? ? 137 ASP L CA 1 +ATOM 22923 C C . ASP L 1 138 ? 50.506 118.024 112.156 1.00 24.38 ? ? ? ? ? ? 137 ASP L C 1 +ATOM 22924 O O . ASP L 1 138 ? 51.111 118.962 111.689 1.00 23.66 ? ? ? ? ? ? 137 ASP L O 1 +ATOM 22925 C CB . ASP L 1 138 ? 52.514 116.544 112.353 1.00 27.59 ? ? ? ? ? ? 137 ASP L CB 1 +ATOM 22926 C CG . ASP L 1 138 ? 52.241 115.658 111.123 1.00 34.71 ? ? ? ? ? ? 137 ASP L CG 1 +ATOM 22927 O OD1 . ASP L 1 138 ? 51.109 115.097 110.941 1.00 33.33 ? ? ? ? ? ? 137 ASP L OD1 1 +ATOM 22928 O OD2 . ASP L 1 138 ? 53.212 115.489 110.345 1.00 43.17 ? ? ? ? ? ? 137 ASP L OD2 1 +ATOM 22929 N N . PHE L 1 139 ? 49.208 117.829 111.953 1.00 23.00 ? ? ? ? ? ? 138 PHE L N 1 +ATOM 22930 C CA . PHE L 1 139 ? 48.426 118.612 110.993 1.00 21.34 ? ? ? ? ? ? 138 PHE L CA 1 +ATOM 22931 C C . PHE L 1 139 ? 47.403 119.410 111.787 1.00 21.09 ? ? ? ? ? ? 138 PHE L C 1 +ATOM 22932 O O . PHE L 1 139 ? 46.482 118.848 112.412 1.00 22.16 ? ? ? ? ? ? 138 PHE L O 1 +ATOM 22933 C CB . PHE L 1 139 ? 47.771 117.648 109.968 1.00 22.69 ? ? ? ? ? ? 138 PHE L CB 1 +ATOM 22934 C CG . PHE L 1 139 ? 47.300 118.307 108.680 1.00 22.95 ? ? ? ? ? ? 138 PHE L CG 1 +ATOM 22935 C CD1 . PHE L 1 139 ? 46.148 119.055 108.649 1.00 31.56 ? ? ? ? ? ? 138 PHE L CD1 1 +ATOM 22936 C CD2 . PHE L 1 139 ? 47.966 118.118 107.502 1.00 25.89 ? ? ? ? ? ? 138 PHE L CD2 1 +ATOM 22937 C CE1 . PHE L 1 139 ? 45.714 119.642 107.474 1.00 30.36 ? ? ? ? ? ? 138 PHE L CE1 1 +ATOM 22938 C CE2 . PHE L 1 139 ? 47.513 118.684 106.323 1.00 23.49 ? ? ? ? ? ? 138 PHE L CE2 1 +ATOM 22939 C CZ . PHE L 1 139 ? 46.405 119.460 106.321 1.00 22.87 ? ? ? ? ? ? 138 PHE L CZ 1 +ATOM 22940 N N . LEU L 1 140 ? 47.557 120.721 111.781 1.00 21.20 ? ? ? ? ? ? 139 LEU L N 1 +ATOM 22941 C CA . LEU L 1 140 ? 46.673 121.596 112.527 1.00 21.71 ? ? ? ? ? ? 139 LEU L CA 1 +ATOM 22942 C C . LEU L 1 140 ? 45.492 121.950 111.653 1.00 20.97 ? ? ? ? ? ? 139 LEU L C 1 +ATOM 22943 O O . LEU L 1 140 ? 45.670 122.394 110.534 1.00 22.15 ? ? ? ? ? ? 139 LEU L O 1 +ATOM 22944 C CB . LEU L 1 140 ? 47.420 122.865 113.002 1.00 22.11 ? ? ? ? ? ? 139 LEU L CB 1 +ATOM 22945 C CG . LEU L 1 140 ? 46.574 123.971 113.678 1.00 22.41 ? ? ? ? ? ? 139 LEU L CG 1 +ATOM 22946 C CD1 . LEU L 1 140 ? 46.017 123.526 115.016 1.00 20.72 ? ? ? ? ? ? 139 LEU L CD1 1 +ATOM 22947 C CD2 . LEU L 1 140 ? 47.393 125.224 113.813 1.00 22.44 ? ? ? ? ? ? 139 LEU L CD2 1 +ATOM 22948 N N . ILE L 1 141 ? 44.291 121.721 112.183 1.00 20.41 ? ? ? ? ? ? 140 ILE L N 1 +ATOM 22949 C CA . ILE L 1 141 ? 43.037 122.026 111.520 1.00 19.12 ? ? ? ? ? ? 140 ILE L CA 1 +ATOM 22950 C C . ILE L 1 141 ? 42.189 122.919 112.438 1.00 19.32 ? ? ? ? ? ? 140 ILE L C 1 +ATOM 22951 O O . ILE L 1 141 ? 41.948 122.610 113.624 1.00 19.15 ? ? ? ? ? ? 140 ILE L O 1 +ATOM 22952 C CB . ILE L 1 141 ? 42.217 120.746 111.169 1.00 20.40 ? ? ? ? ? ? 140 ILE L CB 1 +ATOM 22953 C CG1 . ILE L 1 141 ? 43.071 119.690 110.474 1.00 21.21 ? ? ? ? ? ? 140 ILE L CG1 1 +ATOM 22954 C CG2 . ILE L 1 141 ? 41.015 121.107 110.276 1.00 16.79 ? ? ? ? ? ? 140 ILE L CG2 1 +ATOM 22955 C CD1 . ILE L 1 141 ? 42.232 118.480 109.927 1.00 17.27 ? ? ? ? ? ? 140 ILE L CD1 1 +ATOM 22956 N N . ALA L 1 142 ? 41.773 124.059 111.890 1.00 19.38 ? ? ? ? ? ? 141 ALA L N 1 +ATOM 22957 C CA . ALA L 1 142 ? 40.885 124.999 112.572 1.00 18.33 ? ? ? ? ? ? 141 ALA L CA 1 +ATOM 22958 C C . ALA L 1 142 ? 39.626 125.108 111.754 1.00 18.06 ? ? ? ? ? ? 141 ALA L C 1 +ATOM 22959 O O . ALA L 1 142 ? 39.646 124.834 110.560 1.00 19.14 ? ? ? ? ? ? 141 ALA L O 1 +ATOM 22960 C CB . ALA L 1 142 ? 41.541 126.358 112.678 1.00 16.06 ? ? ? ? ? ? 141 ALA L CB 1 +ATOM 22961 N N . ALA L 1 143 ? 38.570 125.591 112.385 1.00 17.72 ? ? ? ? ? ? 142 ALA L N 1 +ATOM 22962 C CA . ALA L 1 143 ? 37.246 125.746 111.766 1.00 18.43 ? ? ? ? ? ? 142 ALA L CA 1 +ATOM 22963 C C . ALA L 1 143 ? 36.558 127.029 112.209 1.00 18.93 ? ? ? ? ? ? 142 ALA L C 1 +ATOM 22964 O O . ALA L 1 143 ? 36.569 127.343 113.394 1.00 19.68 ? ? ? ? ? ? 142 ALA L O 1 +ATOM 22965 C CB . ALA L 1 143 ? 36.370 124.531 112.118 1.00 17.85 ? ? ? ? ? ? 142 ALA L CB 1 +ATOM 22966 N N . ALA L 1 144 ? 35.995 127.781 111.265 1.00 19.54 ? ? ? ? ? ? 143 ALA L N 1 +ATOM 22967 C CA . ALA L 1 144 ? 35.229 128.991 111.581 1.00 20.61 ? ? ? ? ? ? 143 ALA L CA 1 +ATOM 22968 C C . ALA L 1 144 ? 34.063 129.158 110.605 1.00 20.77 ? ? ? ? ? ? 143 ALA L C 1 +ATOM 22969 O O . ALA L 1 144 ? 34.203 128.824 109.433 1.00 20.08 ? ? ? ? ? ? 143 ALA L O 1 +ATOM 22970 C CB . ALA L 1 144 ? 36.110 130.235 111.547 1.00 21.22 ? ? ? ? ? ? 143 ALA L CB 1 +ATOM 22971 N N . ASN L 1 145 ? 32.919 129.662 111.087 1.00 20.79 ? ? ? ? ? ? 144 ASN L N 1 +ATOM 22972 C CA . ASN L 1 145 ? 31.882 130.183 110.184 1.00 21.60 ? ? ? ? ? ? 144 ASN L CA 1 +ATOM 22973 C C . ASN L 1 145 ? 32.257 131.641 109.880 1.00 21.20 ? ? ? ? ? ? 144 ASN L C 1 +ATOM 22974 O O . ASN L 1 145 ? 32.503 132.426 110.814 1.00 21.34 ? ? ? ? ? ? 144 ASN L O 1 +ATOM 22975 C CB . ASN L 1 145 ? 30.493 130.157 110.828 1.00 23.82 ? ? ? ? ? ? 144 ASN L CB 1 +ATOM 22976 C CG . ASN L 1 145 ? 29.870 128.748 110.927 1.00 28.38 ? ? ? ? ? ? 144 ASN L CG 1 +ATOM 22977 O OD1 . ASN L 1 145 ? 29.806 127.986 109.948 1.00 27.31 ? ? ? ? ? ? 144 ASN L OD1 1 +ATOM 22978 N ND2 . ASN L 1 145 ? 29.352 128.424 112.122 1.00 23.93 ? ? ? ? ? ? 144 ASN L ND2 1 +ATOM 22979 N N . TRP L 1 146 ? 32.296 132.028 108.605 1.00 20.10 ? ? ? ? ? ? 145 TRP L N 1 +ATOM 22980 C CA . TRP L 1 146 ? 32.708 133.410 108.244 1.00 20.73 ? ? ? ? ? ? 145 TRP L CA 1 +ATOM 22981 C C . TRP L 1 146 ? 31.746 134.427 108.877 1.00 20.48 ? ? ? ? ? ? 145 TRP L C 1 +ATOM 22982 O O . TRP L 1 146 ? 32.107 135.536 109.220 1.00 20.53 ? ? ? ? ? ? 145 TRP L O 1 +ATOM 22983 C CB . TRP L 1 146 ? 32.816 133.592 106.698 1.00 21.68 ? ? ? ? ? ? 145 TRP L CB 1 +ATOM 22984 C CG . TRP L 1 146 ? 31.467 133.677 106.032 1.00 19.94 ? ? ? ? ? ? 145 TRP L CG 1 +ATOM 22985 C CD1 . TRP L 1 146 ? 30.767 132.655 105.464 1.00 19.21 ? ? ? ? ? ? 145 TRP L CD1 1 +ATOM 22986 C CD2 . TRP L 1 146 ? 30.650 134.845 105.907 1.00 22.19 ? ? ? ? ? ? 145 TRP L CD2 1 +ATOM 22987 N NE1 . TRP L 1 146 ? 29.555 133.114 104.991 1.00 22.62 ? ? ? ? ? ? 145 TRP L NE1 1 +ATOM 22988 C CE2 . TRP L 1 146 ? 29.460 134.456 105.256 1.00 18.86 ? ? ? ? ? ? 145 TRP L CE2 1 +ATOM 22989 C CE3 . TRP L 1 146 ? 30.812 136.185 106.274 1.00 21.86 ? ? ? ? ? ? 145 TRP L CE3 1 +ATOM 22990 C CZ2 . TRP L 1 146 ? 28.437 135.354 104.980 1.00 21.36 ? ? ? ? ? ? 145 TRP L CZ2 1 +ATOM 22991 C CZ3 . TRP L 1 146 ? 29.794 137.068 106.006 1.00 21.32 ? ? ? ? ? ? 145 TRP L CZ3 1 +ATOM 22992 C CH2 . TRP L 1 146 ? 28.613 136.647 105.368 1.00 22.78 ? ? ? ? ? ? 145 TRP L CH2 1 +ATOM 22993 N N . PHE L 1 147 ? 30.507 134.019 109.056 1.00 21.32 ? ? ? ? ? ? 146 PHE L N 1 +ATOM 22994 C CA . PHE L 1 147 ? 29.491 134.935 109.506 1.00 21.47 ? ? ? ? ? ? 146 PHE L CA 1 +ATOM 22995 C C . PHE L 1 147 ? 29.481 135.079 111.026 1.00 21.97 ? ? ? ? ? ? 146 PHE L C 1 +ATOM 22996 O O . PHE L 1 147 ? 28.686 135.859 111.547 1.00 23.81 ? ? ? ? ? ? 146 PHE L O 1 +ATOM 22997 C CB . PHE L 1 147 ? 28.124 134.523 108.972 1.00 20.34 ? ? ? ? ? ? 146 PHE L CB 1 +ATOM 22998 C CG . PHE L 1 147 ? 27.792 133.108 109.223 1.00 24.11 ? ? ? ? ? ? 146 PHE L CG 1 +ATOM 22999 C CD1 . PHE L 1 147 ? 27.271 132.715 110.443 1.00 24.67 ? ? ? ? ? ? 146 PHE L CD1 1 +ATOM 23000 C CD2 . PHE L 1 147 ? 27.999 132.148 108.237 1.00 25.49 ? ? ? ? ? ? 146 PHE L CD2 1 +ATOM 23001 C CE1 . PHE L 1 147 ? 26.961 131.387 110.693 1.00 27.47 ? ? ? ? ? ? 146 PHE L CE1 1 +ATOM 23002 C CE2 . PHE L 1 147 ? 27.687 130.818 108.476 1.00 25.57 ? ? ? ? ? ? 146 PHE L CE2 1 +ATOM 23003 C CZ . PHE L 1 147 ? 27.168 130.431 109.699 1.00 28.14 ? ? ? ? ? ? 146 PHE L CZ 1 +ATOM 23004 N N . GLU L 1 148 ? 30.395 134.393 111.724 1.00 21.62 ? ? ? ? ? ? 147 GLU L N 1 +ATOM 23005 C CA . GLU L 1 148 ? 30.531 134.533 113.168 1.00 21.74 ? ? ? ? ? ? 147 GLU L CA 1 +ATOM 23006 C C . GLU L 1 148 ? 31.822 135.246 113.543 1.00 22.17 ? ? ? ? ? ? 147 GLU L C 1 +ATOM 23007 O O . GLU L 1 148 ? 32.073 135.463 114.708 1.00 24.16 ? ? ? ? ? ? 147 GLU L O 1 +ATOM 23008 C CB . GLU L 1 148 ? 30.473 133.163 113.838 1.00 20.13 ? ? ? ? ? ? 147 GLU L CB 1 +ATOM 23009 C CG . GLU L 1 148 ? 29.085 132.480 113.743 1.00 22.63 ? ? ? ? ? ? 147 GLU L CG 1 +ATOM 23010 C CD . GLU L 1 148 ? 29.078 131.018 114.267 1.00 25.89 ? ? ? ? ? ? 147 GLU L CD 1 +ATOM 23011 O OE1 . GLU L 1 148 ? 30.163 130.372 114.379 1.00 28.62 ? ? ? ? ? ? 147 GLU L OE1 1 +ATOM 23012 O OE2 . GLU L 1 148 ? 27.970 130.502 114.562 1.00 32.90 ? ? ? ? ? ? 147 GLU L OE2 1 +ATOM 23013 N N . VAL L 1 149 ? 32.665 135.592 112.577 1.00 23.50 ? ? ? ? ? ? 148 VAL L N 1 +ATOM 23014 C CA . VAL L 1 149 ? 33.943 136.272 112.887 1.00 22.44 ? ? ? ? ? ? 148 VAL L CA 1 +ATOM 23015 C C . VAL L 1 149 ? 33.636 137.665 113.549 1.00 24.00 ? ? ? ? ? ? 148 VAL L C 1 +ATOM 23016 O O . VAL L 1 149 ? 34.233 138.043 114.571 1.00 22.81 ? ? ? ? ? ? 148 VAL L O 1 +ATOM 23017 C CB . VAL L 1 149 ? 34.850 136.385 111.624 1.00 23.04 ? ? ? ? ? ? 148 VAL L CB 1 +ATOM 23018 C CG1 . VAL L 1 149 ? 36.101 137.168 111.931 1.00 19.20 ? ? ? ? ? ? 148 VAL L CG1 1 +ATOM 23019 C CG2 . VAL L 1 149 ? 35.241 134.960 111.059 1.00 21.30 ? ? ? ? ? ? 148 VAL L CG2 1 +ATOM 23020 N N . VAL L 1 150 ? 32.680 138.393 112.968 1.00 23.46 ? ? ? ? ? ? 149 VAL L N 1 +ATOM 23021 C CA . VAL L 1 150 ? 32.287 139.709 113.444 1.00 23.02 ? ? ? ? ? ? 149 VAL L CA 1 +ATOM 23022 C C . VAL L 1 150 ? 30.776 139.692 113.725 1.00 24.52 ? ? ? ? ? ? 149 VAL L C 1 +ATOM 23023 O O . VAL L 1 150 ? 30.001 139.114 112.974 1.00 24.46 ? ? ? ? ? ? 149 VAL L O 1 +ATOM 23024 C CB . VAL L 1 150 ? 32.736 140.826 112.423 1.00 24.76 ? ? ? ? ? ? 149 VAL L CB 1 +ATOM 23025 C CG1 . VAL L 1 150 ? 32.154 142.217 112.764 1.00 23.34 ? ? ? ? ? ? 149 VAL L CG1 1 +ATOM 23026 C CG2 . VAL L 1 150 ? 34.294 140.875 112.338 1.00 20.51 ? ? ? ? ? ? 149 VAL L CG2 1 +ATOM 23027 N N . SER L 1 151 ? 30.382 140.245 114.863 1.00 26.48 ? ? ? ? ? ? 150 SER L N 1 +ATOM 23028 C CA . SER L 1 151 ? 28.984 140.411 115.218 1.00 29.33 ? ? ? ? ? ? 150 SER L CA 1 +ATOM 23029 C C . SER L 1 151 ? 28.290 141.323 114.234 1.00 29.73 ? ? ? ? ? ? 150 SER L C 1 +ATOM 23030 O O . SER L 1 151 ? 28.851 142.343 113.847 1.00 29.82 ? ? ? ? ? ? 150 SER L O 1 +ATOM 23031 C CB . SER L 1 151 ? 28.872 141.032 116.634 1.00 29.98 ? ? ? ? ? ? 150 SER L CB 1 +ATOM 23032 O OG . SER L 1 151 ? 27.605 141.615 116.906 1.00 32.35 ? ? ? ? ? ? 150 SER L OG 1 +ATOM 23033 N N . PRO L 1 152 ? 27.053 140.982 113.860 1.00 31.59 ? ? ? ? ? ? 151 PRO L N 1 +ATOM 23034 C CA . PRO L 1 152 ? 26.292 141.815 112.941 1.00 32.65 ? ? ? ? ? ? 151 PRO L CA 1 +ATOM 23035 C C . PRO L 1 152 ? 25.801 143.160 113.535 1.00 34.24 ? ? ? ? ? ? 151 PRO L C 1 +ATOM 23036 O O . PRO L 1 152 ? 25.357 144.020 112.781 1.00 33.71 ? ? ? ? ? ? 151 PRO L O 1 +ATOM 23037 C CB . PRO L 1 152 ? 25.110 140.925 112.567 1.00 33.18 ? ? ? ? ? ? 151 PRO L CB 1 +ATOM 23038 C CG . PRO L 1 152 ? 24.919 140.020 113.757 1.00 33.28 ? ? ? ? ? ? 151 PRO L CG 1 +ATOM 23039 C CD . PRO L 1 152 ? 26.304 139.779 114.278 1.00 32.19 ? ? ? ? ? ? 151 PRO L CD 1 +ATOM 23040 N N . LYS L 1 153 ? 25.904 143.342 114.862 1.00 33.47 ? ? ? ? ? ? 152 LYS L N 1 +ATOM 23041 C CA . LYS L 1 153 ? 25.427 144.548 115.554 1.00 30.47 ? ? ? ? ? ? 152 LYS L CA 1 +ATOM 23042 C C . LYS L 1 153 ? 26.101 145.816 115.026 1.00 30.24 ? ? ? ? ? ? 152 LYS L C 1 +ATOM 23043 O O . LYS L 1 153 ? 27.320 145.944 115.033 1.00 27.07 ? ? ? ? ? ? 152 LYS L O 1 +ATOM 23044 C CB . LYS L 1 153 ? 25.652 144.449 117.060 1.00 29.46 ? ? ? ? ? ? 152 LYS L CB 1 +ATOM 23045 C CG . LYS L 1 153 ? 24.930 145.537 117.842 1.00 36.12 ? ? ? ? ? ? 152 LYS L CG 1 +ATOM 23046 C CD . LYS L 1 153 ? 25.434 145.718 119.266 1.00 32.20 ? ? ? ? ? ? 152 LYS L CD 1 +ATOM 23047 C CE . LYS L 1 153 ? 24.694 146.893 119.946 1.00 33.96 ? ? ? ? ? ? 152 LYS L CE 1 +ATOM 23048 N NZ . LYS L 1 153 ? 25.162 147.137 121.358 1.00 37.29 ? ? ? ? ? ? 152 LYS L NZ 1 +ATOM 23049 N N . GLY L 1 154 ? 25.295 146.760 114.558 1.00 30.09 ? ? ? ? ? ? 153 GLY L N 1 +ATOM 23050 C CA . GLY L 1 154 ? 25.847 147.994 114.056 1.00 30.54 ? ? ? ? ? ? 153 GLY L CA 1 +ATOM 23051 C C . GLY L 1 154 ? 26.021 147.933 112.557 1.00 30.22 ? ? ? ? ? ? 153 GLY L C 1 +ATOM 23052 O O . GLY L 1 154 ? 26.139 148.980 111.934 1.00 32.26 ? ? ? ? ? ? 153 GLY L O 1 +ATOM 23053 N N . TYR L 1 155 ? 25.997 146.734 111.957 1.00 29.14 ? ? ? ? ? ? 154 TYR L N 1 +ATOM 23054 C CA . TYR L 1 155 ? 26.116 146.634 110.492 1.00 26.55 ? ? ? ? ? ? 154 TYR L CA 1 +ATOM 23055 C C . TYR L 1 155 ? 24.750 146.421 109.765 1.00 25.35 ? ? ? ? ? ? 154 TYR L C 1 +ATOM 23056 O O . TYR L 1 155 ? 24.562 146.913 108.629 1.00 25.92 ? ? ? ? ? ? 154 TYR L O 1 +ATOM 23057 C CB . TYR L 1 155 ? 27.132 145.565 110.082 1.00 25.08 ? ? ? ? ? ? 154 TYR L CB 1 +ATOM 23058 C CG . TYR L 1 155 ? 28.545 145.799 110.553 1.00 22.33 ? ? ? ? ? ? 154 TYR L CG 1 +ATOM 23059 C CD1 . TYR L 1 155 ? 29.426 146.564 109.805 1.00 20.20 ? ? ? ? ? ? 154 TYR L CD1 1 +ATOM 23060 C CD2 . TYR L 1 155 ? 29.028 145.197 111.730 1.00 23.24 ? ? ? ? ? ? 154 TYR L CD2 1 +ATOM 23061 C CE1 . TYR L 1 155 ? 30.738 146.769 110.217 1.00 20.84 ? ? ? ? ? ? 154 TYR L CE1 1 +ATOM 23062 C CE2 . TYR L 1 155 ? 30.331 145.412 112.146 1.00 23.30 ? ? ? ? ? ? 154 TYR L CE2 1 +ATOM 23063 C CZ . TYR L 1 155 ? 31.183 146.195 111.381 1.00 20.40 ? ? ? ? ? ? 154 TYR L CZ 1 +ATOM 23064 O OH . TYR L 1 155 ? 32.476 146.395 111.786 1.00 25.14 ? ? ? ? ? ? 154 TYR L OH 1 +ATOM 23065 N N . PHE L 1 156 ? 23.823 145.712 110.424 1.00 25.67 ? ? ? ? ? ? 155 PHE L N 1 +ATOM 23066 C CA . PHE L 1 156 ? 22.534 145.334 109.839 1.00 26.93 ? ? ? ? ? ? 155 PHE L CA 1 +ATOM 23067 C C . PHE L 1 156 ? 21.377 145.700 110.779 1.00 29.39 ? ? ? ? ? ? 155 PHE L C 1 +ATOM 23068 O O . PHE L 1 156 ? 21.549 145.724 111.989 1.00 31.26 ? ? ? ? ? ? 155 PHE L O 1 +ATOM 23069 C CB . PHE L 1 156 ? 22.546 143.818 109.460 1.00 26.97 ? ? ? ? ? ? 155 PHE L CB 1 +ATOM 23070 C CG . PHE L 1 156 ? 23.724 143.441 108.604 1.00 23.44 ? ? ? ? ? ? 155 PHE L CG 1 +ATOM 23071 C CD1 . PHE L 1 156 ? 23.817 143.902 107.323 1.00 19.85 ? ? ? ? ? ? 155 PHE L CD1 1 +ATOM 23072 C CD2 . PHE L 1 156 ? 24.775 142.702 109.124 1.00 24.32 ? ? ? ? ? ? 155 PHE L CD2 1 +ATOM 23073 C CE1 . PHE L 1 156 ? 24.923 143.628 106.538 1.00 22.07 ? ? ? ? ? ? 155 PHE L CE1 1 +ATOM 23074 C CE2 . PHE L 1 156 ? 25.886 142.421 108.358 1.00 24.77 ? ? ? ? ? ? 155 PHE L CE2 1 +ATOM 23075 C CZ . PHE L 1 156 ? 25.969 142.885 107.054 1.00 22.72 ? ? ? ? ? ? 155 PHE L CZ 1 +ATOM 23076 N N . GLU L 1 157 ? 20.208 145.978 110.199 1.00 32.05 ? ? ? ? ? ? 156 GLU L N 1 +ATOM 23077 C CA . GLU L 1 157 ? 19.040 146.442 110.951 1.00 37.30 ? ? ? ? ? ? 156 GLU L CA 1 +ATOM 23078 C C . GLU L 1 157 ? 18.154 145.287 111.397 1.00 34.32 ? ? ? ? ? ? 156 GLU L C 1 +ATOM 23079 O O . GLU L 1 157 ? 17.786 145.222 112.578 1.00 35.17 ? ? ? ? ? ? 156 GLU L O 1 +ATOM 23080 C CB . GLU L 1 157 ? 18.202 147.397 110.104 1.00 38.47 ? ? ? ? ? ? 156 GLU L CB 1 +ATOM 23081 C CG . GLU L 1 157 ? 18.951 148.551 109.465 1.00 41.86 ? ? ? ? ? ? 156 GLU L CG 1 +ATOM 23082 C CD . GLU L 1 157 ? 17.993 149.533 108.786 1.00 46.82 ? ? ? ? ? ? 156 GLU L CD 1 +ATOM 23083 O OE1 . GLU L 1 157 ? 16.957 149.881 109.420 1.00 63.45 ? ? ? ? ? ? 156 GLU L OE1 1 +ATOM 23084 O OE2 . GLU L 1 157 ? 18.257 149.938 107.622 1.00 56.35 ? ? ? ? ? ? 156 GLU L OE2 1 +ATOM 23085 N N . ALA L 1 158 ? 17.823 144.383 110.457 1.00 35.35 ? ? ? ? ? ? 157 ALA L N 1 +ATOM 23086 C CA . ALA L 1 158 ? 16.951 143.224 110.718 1.00 34.82 ? ? ? ? ? ? 157 ALA L CA 1 +ATOM 23087 C C . ALA L 1 158 ? 17.441 142.517 111.960 1.00 35.89 ? ? ? ? ? ? 157 ALA L C 1 +ATOM 23088 O O . ALA L 1 158 ? 18.659 142.357 112.156 1.00 35.59 ? ? ? ? ? ? 157 ALA L O 1 +ATOM 23089 C CB . ALA L 1 158 ? 16.928 142.273 109.524 1.00 34.86 ? ? ? ? ? ? 157 ALA L CB 1 +ATOM 23090 N N . GLU L 1 159 ? 16.494 142.154 112.824 1.00 37.86 ? ? ? ? ? ? 158 GLU L N 1 +ATOM 23091 C CA . GLU L 1 159 ? 16.796 141.495 114.093 1.00 41.23 ? ? ? ? ? ? 158 GLU L CA 1 +ATOM 23092 C C . GLU L 1 159 ? 16.947 139.987 113.865 1.00 38.11 ? ? ? ? ? ? 158 GLU L C 1 +ATOM 23093 O O . GLU L 1 159 ? 17.898 139.377 114.369 1.00 38.18 ? ? ? ? ? ? 158 GLU L O 1 +ATOM 23094 C CB . GLU L 1 159 ? 15.703 141.799 115.131 1.00 43.29 ? ? ? ? ? ? 158 GLU L CB 1 +ATOM 23095 C CG . GLU L 1 159 ? 15.903 141.194 116.534 1.00 53.71 ? ? ? ? ? ? 158 GLU L CG 1 +ATOM 23096 C CD . GLU L 1 159 ? 14.583 141.171 117.339 1.00 53.55 ? ? ? ? ? ? 158 GLU L CD 1 +ATOM 23097 O OE1 . GLU L 1 159 ? 14.060 142.279 117.663 1.00 67.53 ? ? ? ? ? ? 158 GLU L OE1 1 +ATOM 23098 O OE2 . GLU L 1 159 ? 14.076 140.047 117.628 1.00 63.87 ? ? ? ? ? ? 158 GLU L OE2 1 +ATOM 23099 N N . ILE L 1 160 ? 15.993 139.392 113.140 1.00 35.68 ? ? ? ? ? ? 159 ILE L N 1 +ATOM 23100 C CA . ILE L 1 160 ? 16.092 137.985 112.762 1.00 34.10 ? ? ? ? ? ? 159 ILE L CA 1 +ATOM 23101 C C . ILE L 1 160 ? 16.826 137.937 111.422 1.00 32.70 ? ? ? ? ? ? 159 ILE L C 1 +ATOM 23102 O O . ILE L 1 160 ? 16.496 138.642 110.457 1.00 31.11 ? ? ? ? ? ? 159 ILE L O 1 +ATOM 23103 C CB . ILE L 1 160 ? 14.743 137.262 112.734 1.00 34.12 ? ? ? ? ? ? 159 ILE L CB 1 +ATOM 23104 C CG1 . ILE L 1 160 ? 13.983 137.501 114.052 1.00 36.81 ? ? ? ? ? ? 159 ILE L CG1 1 +ATOM 23105 C CG2 . ILE L 1 160 ? 14.969 135.775 112.574 1.00 31.40 ? ? ? ? ? ? 159 ILE L CG2 1 +ATOM 23106 C CD1 . ILE L 1 160 ? 12.523 137.021 114.050 1.00 36.48 ? ? ? ? ? ? 159 ILE L CD1 1 +ATOM 23107 N N . ASP L 1 161 ? 17.882 137.139 111.399 1.00 31.49 ? ? ? ? ? ? 160 ASP L N 1 +ATOM 23108 C CA . ASP L 1 161 ? 18.743 137.044 110.241 1.00 32.51 ? ? ? ? ? ? 160 ASP L CA 1 +ATOM 23109 C C . ASP L 1 161 ? 19.515 135.732 110.341 1.00 32.00 ? ? ? ? ? ? 160 ASP L C 1 +ATOM 23110 O O . ASP L 1 161 ? 20.696 135.734 110.617 1.00 32.98 ? ? ? ? ? ? 160 ASP L O 1 +ATOM 23111 C CB . ASP L 1 161 ? 19.690 138.258 110.215 1.00 32.91 ? ? ? ? ? ? 160 ASP L CB 1 +ATOM 23112 C CG . ASP L 1 161 ? 20.497 138.357 108.923 1.00 37.16 ? ? ? ? ? ? 160 ASP L CG 1 +ATOM 23113 O OD1 . ASP L 1 161 ? 20.472 137.387 108.125 1.00 40.08 ? ? ? ? ? ? 160 ASP L OD1 1 +ATOM 23114 O OD2 . ASP L 1 161 ? 21.150 139.411 108.714 1.00 41.50 ? ? ? ? ? ? 160 ASP L OD2 1 +ATOM 23115 N N . ASP L 1 162 ? 18.842 134.608 110.108 1.00 31.68 ? ? ? ? ? ? 161 ASP L N 1 +ATOM 23116 C CA . ASP L 1 162 ? 19.499 133.300 110.226 1.00 30.92 ? ? ? ? ? ? 161 ASP L CA 1 +ATOM 23117 C C . ASP L 1 162 ? 19.885 132.670 108.889 1.00 29.65 ? ? ? ? ? ? 161 ASP L C 1 +ATOM 23118 O O . ASP L 1 162 ? 20.896 131.997 108.798 1.00 30.45 ? ? ? ? ? ? 161 ASP L O 1 +ATOM 23119 C CB . ASP L 1 162 ? 18.633 132.326 111.029 1.00 33.18 ? ? ? ? ? ? 161 ASP L CB 1 +ATOM 23120 C CG . ASP L 1 162 ? 18.509 132.739 112.514 1.00 40.02 ? ? ? ? ? ? 161 ASP L CG 1 +ATOM 23121 O OD1 . ASP L 1 162 ? 19.555 133.082 113.133 1.00 46.91 ? ? ? ? ? ? 161 ASP L OD1 1 +ATOM 23122 O OD2 . ASP L 1 162 ? 17.369 132.709 113.048 1.00 47.22 ? ? ? ? ? ? 161 ASP L OD2 1 +ATOM 23123 N N . HIS L 1 163 ? 19.106 132.904 107.842 1.00 26.63 ? ? ? ? ? ? 162 HIS L N 1 +ATOM 23124 C CA . HIS L 1 163 ? 19.431 132.310 106.565 1.00 24.10 ? ? ? ? ? ? 162 HIS L CA 1 +ATOM 23125 C C . HIS L 1 163 ? 18.851 133.112 105.415 1.00 22.28 ? ? ? ? ? ? 162 HIS L C 1 +ATOM 23126 O O . HIS L 1 163 ? 17.638 133.328 105.367 1.00 21.55 ? ? ? ? ? ? 162 HIS L O 1 +ATOM 23127 C CB . HIS L 1 163 ? 18.952 130.848 106.585 1.00 25.87 ? ? ? ? ? ? 162 HIS L CB 1 +ATOM 23128 C CG . HIS L 1 163 ? 18.880 130.202 105.240 1.00 25.38 ? ? ? ? ? ? 162 HIS L CG 1 +ATOM 23129 N ND1 . HIS L 1 163 ? 19.983 129.695 104.596 1.00 24.84 ? ? ? ? ? ? 162 HIS L ND1 1 +ATOM 23130 C CD2 . HIS L 1 163 ? 17.823 129.960 104.429 1.00 24.58 ? ? ? ? ? ? 162 HIS L CD2 1 +ATOM 23131 C CE1 . HIS L 1 163 ? 19.611 129.186 103.437 1.00 27.59 ? ? ? ? ? ? 162 HIS L CE1 1 +ATOM 23132 N NE2 . HIS L 1 163 ? 18.305 129.320 103.318 1.00 18.40 ? ? ? ? ? ? 162 HIS L NE2 1 +ATOM 23133 N N . ALA L 1 164 ? 19.726 133.538 104.500 1.00 21.23 ? ? ? ? ? ? 163 ALA L N 1 +ATOM 23134 C CA . ALA L 1 164 ? 19.350 134.339 103.306 1.00 21.94 ? ? ? ? ? ? 163 ALA L CA 1 +ATOM 23135 C C . ALA L 1 164 ? 18.704 135.676 103.704 1.00 23.55 ? ? ? ? ? ? 163 ALA L C 1 +ATOM 23136 O O . ALA L 1 164 ? 17.875 136.221 102.965 1.00 23.72 ? ? ? ? ? ? 163 ALA L O 1 +ATOM 23137 C CB . ALA L 1 164 ? 18.419 133.555 102.384 1.00 20.82 ? ? ? ? ? ? 163 ALA L CB 1 +ATOM 23138 N N . GLY L 1 165 ? 19.090 136.187 104.876 1.00 23.93 ? ? ? ? ? ? 164 GLY L N 1 +ATOM 23139 C CA . GLY L 1 165 ? 18.576 137.460 105.413 1.00 24.00 ? ? ? ? ? ? 164 GLY L CA 1 +ATOM 23140 C C . GLY L 1 165 ? 19.456 138.630 104.977 1.00 23.39 ? ? ? ? ? ? 164 GLY L C 1 +ATOM 23141 O O . GLY L 1 165 ? 20.132 138.576 103.934 1.00 23.97 ? ? ? ? ? ? 164 GLY L O 1 +ATOM 23142 N N . GLU L 1 166 ? 19.472 139.681 105.791 1.00 23.04 ? ? ? ? ? ? 165 GLU L N 1 +ATOM 23143 C CA . GLU L 1 166 ? 20.046 140.971 105.383 1.00 22.78 ? ? ? ? ? ? 165 GLU L CA 1 +ATOM 23144 C C . GLU L 1 166 ? 21.568 140.897 105.224 1.00 22.62 ? ? ? ? ? ? 165 GLU L C 1 +ATOM 23145 O O . GLU L 1 166 ? 22.150 141.509 104.306 1.00 23.31 ? ? ? ? ? ? 165 GLU L O 1 +ATOM 23146 C CB . GLU L 1 166 ? 19.672 142.037 106.427 1.00 23.21 ? ? ? ? ? ? 165 GLU L CB 1 +ATOM 23147 C CG . GLU L 1 166 ? 20.006 143.459 106.042 1.00 25.48 ? ? ? ? ? ? 165 GLU L CG 1 +ATOM 23148 C CD . GLU L 1 166 ? 19.547 144.490 107.079 1.00 26.46 ? ? ? ? ? ? 165 GLU L CD 1 +ATOM 23149 O OE1 . GLU L 1 166 ? 18.487 144.306 107.751 1.00 28.06 ? ? ? ? ? ? 165 GLU L OE1 1 +ATOM 23150 O OE2 . GLU L 1 166 ? 20.264 145.492 107.223 1.00 30.09 ? ? ? ? ? ? 165 GLU L OE2 1 +ATOM 23151 N N . SER L 1 167 ? 22.215 140.140 106.112 1.00 22.79 ? ? ? ? ? ? 166 SER L N 1 +ATOM 23152 C CA . SER L 1 167 ? 23.675 140.017 106.079 1.00 23.11 ? ? ? ? ? ? 166 SER L CA 1 +ATOM 23153 C C . SER L 1 167 ? 24.171 139.234 104.875 1.00 22.94 ? ? ? ? ? ? 166 SER L C 1 +ATOM 23154 O O . SER L 1 167 ? 25.030 139.728 104.148 1.00 24.87 ? ? ? ? ? ? 166 SER L O 1 +ATOM 23155 C CB . SER L 1 167 ? 24.219 139.408 107.363 1.00 22.10 ? ? ? ? ? ? 166 SER L CB 1 +ATOM 23156 O OG . SER L 1 167 ? 23.505 138.241 107.712 1.00 31.60 ? ? ? ? ? ? 166 SER L OG 1 +ATOM 23157 N N . GLU L 1 168 ? 23.669 138.013 104.665 1.00 23.70 ? ? ? ? ? ? 167 GLU L N 1 +ATOM 23158 C CA . GLU L 1 168 ? 24.046 137.257 103.466 1.00 22.59 ? ? ? ? ? ? 167 GLU L CA 1 +ATOM 23159 C C . GLU L 1 168 ? 23.681 137.991 102.181 1.00 21.01 ? ? ? ? ? ? 167 GLU L C 1 +ATOM 23160 O O . GLU L 1 168 ? 24.471 138.024 101.238 1.00 20.78 ? ? ? ? ? ? 167 GLU L O 1 +ATOM 23161 C CB . GLU L 1 168 ? 23.387 135.891 103.436 1.00 22.75 ? ? ? ? ? ? 167 GLU L CB 1 +ATOM 23162 C CG . GLU L 1 168 ? 24.215 134.827 104.041 1.00 22.75 ? ? ? ? ? ? 167 GLU L CG 1 +ATOM 23163 C CD . GLU L 1 168 ? 23.654 133.470 103.807 1.00 25.29 ? ? ? ? ? ? 167 GLU L CD 1 +ATOM 23164 O OE1 . GLU L 1 168 ? 22.410 133.303 103.947 1.00 26.70 ? ? ? ? ? ? 167 GLU L OE1 1 +ATOM 23165 O OE2 . GLU L 1 168 ? 24.469 132.552 103.535 1.00 23.53 ? ? ? ? ? ? 167 GLU L OE2 1 +ATOM 23166 N N . THR L 1 169 ? 22.471 138.556 102.132 1.00 20.58 ? ? ? ? ? ? 168 THR L N 1 +ATOM 23167 C CA . THR L 1 169 ? 22.054 139.298 100.938 1.00 20.61 ? ? ? ? ? ? 168 THR L CA 1 +ATOM 23168 C C . THR L 1 169 ? 22.974 140.480 100.645 1.00 20.29 ? ? ? ? ? ? 168 THR L C 1 +ATOM 23169 O O . THR L 1 169 ? 23.388 140.678 99.519 1.00 21.96 ? ? ? ? ? ? 168 THR L O 1 +ATOM 23170 C CB . THR L 1 169 ? 20.596 139.797 101.034 1.00 22.39 ? ? ? ? ? ? 168 THR L CB 1 +ATOM 23171 O OG1 . THR L 1 169 ? 19.726 138.683 101.260 1.00 20.89 ? ? ? ? ? ? 168 THR L OG1 1 +ATOM 23172 C CG2 . THR L 1 169 ? 20.203 140.467 99.748 1.00 19.33 ? ? ? ? ? ? 168 THR L CG2 1 +ATOM 23173 N N . SER L 1 170 ? 23.325 141.222 101.688 1.00 20.94 ? ? ? ? ? ? 169 SER L N 1 +ATOM 23174 C CA . SER L 1 170 ? 24.172 142.396 101.577 1.00 20.50 ? ? ? ? ? ? 169 SER L CA 1 +ATOM 23175 C C . SER L 1 170 ? 25.551 142.022 101.097 1.00 21.10 ? ? ? ? ? ? 169 SER L C 1 +ATOM 23176 O O . SER L 1 170 ? 26.096 142.657 100.188 1.00 20.50 ? ? ? ? ? ? 169 SER L O 1 +ATOM 23177 C CB . SER L 1 170 ? 24.280 143.099 102.923 1.00 22.00 ? ? ? ? ? ? 169 SER L CB 1 +ATOM 23178 O OG . SER L 1 170 ? 23.033 143.641 103.331 1.00 22.27 ? ? ? ? ? ? 169 SER L OG 1 +ATOM 23179 N N . VAL L 1 171 ? 26.115 140.965 101.691 1.00 21.47 ? ? ? ? ? ? 170 VAL L N 1 +ATOM 23180 C CA . VAL L 1 171 ? 27.457 140.503 101.301 1.00 19.77 ? ? ? ? ? ? 170 VAL L CA 1 +ATOM 23181 C C . VAL L 1 171 ? 27.477 139.978 99.847 1.00 20.28 ? ? ? ? ? ? 170 VAL L C 1 +ATOM 23182 O O . VAL L 1 171 ? 28.411 140.254 99.112 1.00 22.61 ? ? ? ? ? ? 170 VAL L O 1 +ATOM 23183 C CB . VAL L 1 171 ? 27.992 139.459 102.296 1.00 20.19 ? ? ? ? ? ? 170 VAL L CB 1 +ATOM 23184 C CG1 . VAL L 1 171 ? 29.424 138.987 101.903 1.00 20.75 ? ? ? ? ? ? 170 VAL L CG1 1 +ATOM 23185 C CG2 . VAL L 1 171 ? 27.977 140.038 103.727 1.00 19.64 ? ? ? ? ? ? 170 VAL L CG2 1 +ATOM 23186 N N . MSE L 1 172 ? 26.445 139.235 99.439 1.00 19.73 ? ? ? ? ? ? 171 MSE L N 1 +ATOM 23187 C CA . MSE L 1 172 ? 26.325 138.808 98.041 1.00 20.54 ? ? ? ? ? ? 171 MSE L CA 1 +ATOM 23188 C C . MSE L 1 172 ? 26.176 140.018 97.072 1.00 21.08 ? ? ? ? ? ? 171 MSE L C 1 +ATOM 23189 O O . MSE L 1 172 ? 26.773 140.026 96.006 1.00 21.57 ? ? ? ? ? ? 171 MSE L O 1 +ATOM 23190 C CB . MSE L 1 172 ? 25.146 137.819 97.879 1.00 21.34 ? ? ? ? ? ? 171 MSE L CB 1 +ATOM 23191 C CG . MSE L 1 172 ? 25.006 137.202 96.477 1.00 21.35 ? ? ? ? ? ? 171 MSE L CG 1 +ATOM 23192 SE SE . MSE L 1 172 ? 26.600 136.164 95.944 0.75 20.13 ? ? ? ? ? ? 171 MSE L SE 1 +ATOM 23193 C CE . MSE L 1 172 ? 26.204 134.755 97.143 1.00 18.28 ? ? ? ? ? ? 171 MSE L CE 1 +ATOM 23194 N N . MSE L 1 173 ? 25.390 141.025 97.449 1.00 21.80 ? ? ? ? ? ? 172 MSE L N 1 +ATOM 23195 C CA . MSE L 1 173 ? 25.211 142.248 96.618 1.00 22.05 ? ? ? ? ? ? 172 MSE L CA 1 +ATOM 23196 C C . MSE L 1 173 ? 26.537 142.970 96.443 1.00 22.50 ? ? ? ? ? ? 172 MSE L C 1 +ATOM 23197 O O . MSE L 1 173 ? 26.814 143.462 95.361 1.00 23.20 ? ? ? ? ? ? 172 MSE L O 1 +ATOM 23198 C CB . MSE L 1 173 ? 24.157 143.187 97.206 1.00 22.14 ? ? ? ? ? ? 172 MSE L CB 1 +ATOM 23199 C CG . MSE L 1 173 ? 22.734 142.693 97.054 1.00 22.56 ? ? ? ? ? ? 172 MSE L CG 1 +ATOM 23200 SE SE . MSE L 1 173 ? 21.452 143.713 98.110 0.75 24.74 ? ? ? ? ? ? 172 MSE L SE 1 +ATOM 23201 C CE . MSE L 1 173 ? 21.103 145.233 96.908 1.00 22.55 ? ? ? ? ? ? 172 MSE L CE 1 +ATOM 23202 N N . HIS L 1 174 ? 27.362 142.975 97.500 1.00 21.95 ? ? ? ? ? ? 173 HIS L N 1 +ATOM 23203 C CA . HIS L 1 174 ? 28.734 143.501 97.411 1.00 21.55 ? ? ? ? ? ? 173 HIS L CA 1 +ATOM 23204 C C . HIS L 1 174 ? 29.579 142.689 96.439 1.00 22.87 ? ? ? ? ? ? 173 HIS L C 1 +ATOM 23205 O O . HIS L 1 174 ? 30.033 143.194 95.429 1.00 22.67 ? ? ? ? ? ? 173 HIS L O 1 +ATOM 23206 C CB . HIS L 1 174 ? 29.406 143.545 98.785 1.00 21.93 ? ? ? ? ? ? 173 HIS L CB 1 +ATOM 23207 C CG . HIS L 1 174 ? 30.888 143.801 98.723 1.00 24.27 ? ? ? ? ? ? 173 HIS L CG 1 +ATOM 23208 N ND1 . HIS L 1 174 ? 31.430 144.901 98.090 1.00 22.41 ? ? ? ? ? ? 173 HIS L ND1 1 +ATOM 23209 C CD2 . HIS L 1 174 ? 31.937 143.087 99.202 1.00 22.93 ? ? ? ? ? ? 173 HIS L CD2 1 +ATOM 23210 C CE1 . HIS L 1 174 ? 32.749 144.857 98.195 1.00 28.98 ? ? ? ? ? ? 173 HIS L CE1 1 +ATOM 23211 N NE2 . HIS L 1 174 ? 33.084 143.772 98.876 1.00 24.81 ? ? ? ? ? ? 173 HIS L NE2 1 +ATOM 23212 N N . TYR L 1 175 ? 29.779 141.405 96.727 1.00 22.70 ? ? ? ? ? ? 174 TYR L N 1 +ATOM 23213 C CA . TYR L 1 175 ? 30.670 140.595 95.897 1.00 21.23 ? ? ? ? ? ? 174 TYR L CA 1 +ATOM 23214 C C . TYR L 1 175 ? 30.129 140.232 94.504 1.00 20.98 ? ? ? ? ? ? 174 TYR L C 1 +ATOM 23215 O O . TYR L 1 175 ? 30.875 140.259 93.533 1.00 19.35 ? ? ? ? ? ? 174 TYR L O 1 +ATOM 23216 C CB . TYR L 1 175 ? 31.022 139.312 96.631 1.00 22.13 ? ? ? ? ? ? 174 TYR L CB 1 +ATOM 23217 C CG . TYR L 1 175 ? 32.031 139.492 97.737 1.00 21.56 ? ? ? ? ? ? 174 TYR L CG 1 +ATOM 23218 C CD1 . TYR L 1 175 ? 33.296 140.027 97.475 1.00 22.35 ? ? ? ? ? ? 174 TYR L CD1 1 +ATOM 23219 C CD2 . TYR L 1 175 ? 31.753 139.078 99.026 1.00 21.71 ? ? ? ? ? ? 174 TYR L CD2 1 +ATOM 23220 C CE1 . TYR L 1 175 ? 34.227 140.173 98.486 1.00 21.23 ? ? ? ? ? ? 174 TYR L CE1 1 +ATOM 23221 C CE2 . TYR L 1 175 ? 32.698 139.196 100.030 1.00 22.71 ? ? ? ? ? ? 174 TYR L CE2 1 +ATOM 23222 C CZ . TYR L 1 175 ? 33.929 139.753 99.757 1.00 21.79 ? ? ? ? ? ? 174 TYR L CZ 1 +ATOM 23223 O OH . TYR L 1 175 ? 34.881 139.848 100.792 1.00 23.68 ? ? ? ? ? ? 174 TYR L OH 1 +ATOM 23224 N N . HIS L 1 176 ? 28.854 139.833 94.413 1.00 21.88 ? ? ? ? ? ? 175 HIS L N 1 +ATOM 23225 C CA . HIS L 1 176 ? 28.297 139.437 93.137 1.00 22.64 ? ? ? ? ? ? 175 HIS L CA 1 +ATOM 23226 C C . HIS L 1 176 ? 26.924 140.037 92.931 1.00 23.29 ? ? ? ? ? ? 175 HIS L C 1 +ATOM 23227 O O . HIS L 1 176 ? 25.905 139.335 93.064 1.00 23.56 ? ? ? ? ? ? 175 HIS L O 1 +ATOM 23228 C CB . HIS L 1 176 ? 28.269 137.891 93.025 1.00 25.38 ? ? ? ? ? ? 175 HIS L CB 1 +ATOM 23229 C CG . HIS L 1 176 ? 29.635 137.285 92.966 1.00 24.55 ? ? ? ? ? ? 175 HIS L CG 1 +ATOM 23230 N ND1 . HIS L 1 176 ? 30.323 137.114 91.781 1.00 25.31 ? ? ? ? ? ? 175 HIS L ND1 1 +ATOM 23231 C CD2 . HIS L 1 176 ? 30.459 136.851 93.950 1.00 24.05 ? ? ? ? ? ? 175 HIS L CD2 1 +ATOM 23232 C CE1 . HIS L 1 176 ? 31.509 136.594 92.039 1.00 26.56 ? ? ? ? ? ? 175 HIS L CE1 1 +ATOM 23233 N NE2 . HIS L 1 176 ? 31.618 136.432 93.345 1.00 23.64 ? ? ? ? ? ? 175 HIS L NE2 1 +ATOM 23234 N N . PRO L 1 177 ? 26.872 141.339 92.600 1.00 25.14 ? ? ? ? ? ? 176 PRO L N 1 +ATOM 23235 C CA . PRO L 1 177 ? 25.534 141.954 92.447 1.00 25.90 ? ? ? ? ? ? 176 PRO L CA 1 +ATOM 23236 C C . PRO L 1 177 ? 24.717 141.333 91.294 1.00 25.81 ? ? ? ? ? ? 176 PRO L C 1 +ATOM 23237 O O . PRO L 1 177 ? 23.492 141.269 91.371 1.00 27.33 ? ? ? ? ? ? 176 PRO L O 1 +ATOM 23238 C CB . PRO L 1 177 ? 25.845 143.435 92.213 1.00 24.96 ? ? ? ? ? ? 176 PRO L CB 1 +ATOM 23239 C CG . PRO L 1 177 ? 27.265 143.451 91.686 1.00 25.31 ? ? ? ? ? ? 176 PRO L CG 1 +ATOM 23240 C CD . PRO L 1 177 ? 27.965 142.298 92.373 1.00 23.48 ? ? ? ? ? ? 176 PRO L CD 1 +ATOM 23241 N N . GLU L 1 178 ? 25.388 140.844 90.259 1.00 27.22 ? ? ? ? ? ? 177 GLU L N 1 +ATOM 23242 C CA . GLU L 1 178 ? 24.710 140.186 89.132 1.00 27.52 ? ? ? ? ? ? 177 GLU L CA 1 +ATOM 23243 C C . GLU L 1 178 ? 23.967 138.911 89.492 1.00 27.44 ? ? ? ? ? ? 177 GLU L C 1 +ATOM 23244 O O . GLU L 1 178 ? 23.106 138.444 88.723 1.00 27.23 ? ? ? ? ? ? 177 GLU L O 1 +ATOM 23245 C CB . GLU L 1 178 ? 25.696 139.850 88.010 1.00 28.90 ? ? ? ? ? ? 177 GLU L CB 1 +ATOM 23246 C CG . GLU L 1 178 ? 26.627 138.629 88.256 1.00 33.09 ? ? ? ? ? ? 177 GLU L CG 1 +ATOM 23247 C CD . GLU L 1 178 ? 27.747 138.916 89.250 1.00 35.57 ? ? ? ? ? ? 177 GLU L CD 1 +ATOM 23248 O OE1 . GLU L 1 178 ? 27.828 140.081 89.721 1.00 29.68 ? ? ? ? ? ? 177 GLU L OE1 1 +ATOM 23249 O OE2 . GLU L 1 178 ? 28.521 137.977 89.561 1.00 34.98 ? ? ? ? ? ? 177 GLU L OE2 1 +ATOM 23250 N N . LEU L 1 179 ? 24.308 138.306 90.626 1.00 26.53 ? ? ? ? ? ? 178 LEU L N 1 +ATOM 23251 C CA . LEU L 1 179 ? 23.733 137.018 90.998 1.00 25.53 ? ? ? ? ? ? 178 LEU L CA 1 +ATOM 23252 C C . LEU L 1 179 ? 22.535 137.175 91.928 1.00 26.75 ? ? ? ? ? ? 178 LEU L C 1 +ATOM 23253 O O . LEU L 1 179 ? 21.884 136.178 92.281 1.00 28.57 ? ? ? ? ? ? 178 LEU L O 1 +ATOM 23254 C CB . LEU L 1 179 ? 24.799 136.125 91.644 1.00 23.37 ? ? ? ? ? ? 178 LEU L CB 1 +ATOM 23255 C CG . LEU L 1 179 ? 25.937 135.614 90.791 1.00 24.75 ? ? ? ? ? ? 178 LEU L CG 1 +ATOM 23256 C CD1 . LEU L 1 179 ? 26.833 134.680 91.638 1.00 23.90 ? ? ? ? ? ? 178 LEU L CD1 1 +ATOM 23257 C CD2 . LEU L 1 179 ? 25.450 134.898 89.539 1.00 27.23 ? ? ? ? ? ? 178 LEU L CD2 1 +ATOM 23258 N N . VAL L 1 180 ? 22.223 138.409 92.321 1.00 26.76 ? ? ? ? ? ? 179 VAL L N 1 +ATOM 23259 C CA . VAL L 1 180 ? 21.131 138.626 93.256 1.00 27.01 ? ? ? ? ? ? 179 VAL L CA 1 +ATOM 23260 C C . VAL L 1 180 ? 20.254 139.794 92.803 1.00 28.29 ? ? ? ? ? ? 179 VAL L C 1 +ATOM 23261 O O . VAL L 1 180 ? 20.766 140.879 92.505 1.00 28.84 ? ? ? ? ? ? 179 VAL L O 1 +ATOM 23262 C CB . VAL L 1 180 ? 21.641 138.785 94.741 1.00 28.47 ? ? ? ? ? ? 179 VAL L CB 1 +ATOM 23263 C CG1 . VAL L 1 180 ? 22.787 139.820 94.874 1.00 26.06 ? ? ? ? ? ? 179 VAL L CG1 1 +ATOM 23264 C CG2 . VAL L 1 180 ? 20.471 139.114 95.687 1.00 28.63 ? ? ? ? ? ? 179 VAL L CG2 1 +ATOM 23265 N N . ASN L 1 181 ? 18.953 139.528 92.670 1.00 29.46 ? ? ? ? ? ? 180 ASN L N 1 +ATOM 23266 C CA . ASN L 1 181 ? 17.916 140.577 92.453 1.00 32.05 ? ? ? ? ? ? 180 ASN L CA 1 +ATOM 23267 C C . ASN L 1 181 ? 17.070 140.680 93.720 1.00 27.67 ? ? ? ? ? ? 180 ASN L C 1 +ATOM 23268 O O . ASN L 1 181 ? 16.288 139.781 94.004 1.00 26.98 ? ? ? ? ? ? 180 ASN L O 1 +ATOM 23269 C CB . ASN L 1 181 ? 17.000 140.255 91.262 1.00 31.94 ? ? ? ? ? ? 180 ASN L CB 1 +ATOM 23270 C CG . ASN L 1 181 ? 17.736 140.248 89.907 1.00 43.03 ? ? ? ? ? ? 180 ASN L CG 1 +ATOM 23271 O OD1 . ASN L 1 181 ? 17.242 139.677 88.936 1.00 59.98 ? ? ? ? ? ? 180 ASN L OD1 1 +ATOM 23272 N ND2 . ASN L 1 181 ? 18.903 140.877 89.841 1.00 48.92 ? ? ? ? ? ? 180 ASN L ND2 1 +ATOM 23273 N N . LEU L 1 182 ? 17.250 141.761 94.490 1.00 27.20 ? ? ? ? ? ? 181 LEU L N 1 +ATOM 23274 C CA . LEU L 1 182 ? 16.627 141.865 95.806 1.00 27.20 ? ? ? ? ? ? 181 LEU L CA 1 +ATOM 23275 C C . LEU L 1 182 ? 15.108 141.955 95.700 1.00 27.44 ? ? ? ? ? ? 181 LEU L C 1 +ATOM 23276 O O . LEU L 1 182 ? 14.392 141.527 96.624 1.00 26.64 ? ? ? ? ? ? 181 LEU L O 1 +ATOM 23277 C CB . LEU L 1 182 ? 17.198 143.047 96.604 1.00 28.42 ? ? ? ? ? ? 181 LEU L CB 1 +ATOM 23278 C CG . LEU L 1 182 ? 16.608 143.376 97.977 1.00 28.17 ? ? ? ? ? ? 181 LEU L CG 1 +ATOM 23279 C CD1 . LEU L 1 182 ? 16.598 142.141 98.839 1.00 26.75 ? ? ? ? ? ? 181 LEU L CD1 1 +ATOM 23280 C CD2 . LEU L 1 182 ? 17.392 144.518 98.664 1.00 25.73 ? ? ? ? ? ? 181 LEU L CD2 1 +ATOM 23281 N N . ALA L 1 183 ? 14.628 142.484 94.567 1.00 28.38 ? ? ? ? ? ? 182 ALA L N 1 +ATOM 23282 C CA . ALA L 1 183 ? 13.192 142.664 94.298 1.00 28.89 ? ? ? ? ? ? 182 ALA L CA 1 +ATOM 23283 C C . ALA L 1 183 ? 12.392 141.361 94.339 1.00 30.22 ? ? ? ? ? ? 182 ALA L C 1 +ATOM 23284 O O . ALA L 1 183 ? 11.175 141.357 94.605 1.00 30.64 ? ? ? ? ? ? 182 ALA L O 1 +ATOM 23285 C CB . ALA L 1 183 ? 13.024 143.312 92.936 1.00 30.36 ? ? ? ? ? ? 182 ALA L CB 1 +ATOM 23286 N N . GLU L 1 184 ? 13.072 140.259 94.029 1.00 30.93 ? ? ? ? ? ? 183 GLU L N 1 +ATOM 23287 C CA . GLU L 1 184 ? 12.468 138.934 94.002 1.00 31.48 ? ? ? ? ? ? 183 GLU L CA 1 +ATOM 23288 C C . GLU L 1 184 ? 12.343 138.290 95.380 1.00 28.33 ? ? ? ? ? ? 183 GLU L C 1 +ATOM 23289 O O . GLU L 1 184 ? 11.684 137.252 95.508 1.00 27.93 ? ? ? ? ? ? 183 GLU L O 1 +ATOM 23290 C CB . GLU L 1 184 ? 13.325 138.002 93.121 1.00 31.87 ? ? ? ? ? ? 183 GLU L CB 1 +ATOM 23291 C CG . GLU L 1 184 ? 13.296 138.335 91.611 1.00 35.90 ? ? ? ? ? ? 183 GLU L CG 1 +ATOM 23292 C CD . GLU L 1 184 ? 14.471 137.698 90.837 1.00 39.51 ? ? ? ? ? ? 183 GLU L CD 1 +ATOM 23293 O OE1 . GLU L 1 184 ? 15.103 136.731 91.352 1.00 43.04 ? ? ? ? ? ? 183 GLU L OE1 1 +ATOM 23294 O OE2 . GLU L 1 184 ? 14.771 138.191 89.719 1.00 44.61 ? ? ? ? ? ? 183 GLU L OE2 1 +ATOM 23295 N N . ALA L 1 185 ? 13.000 138.864 96.398 1.00 26.84 ? ? ? ? ? ? 184 ALA L N 1 +ATOM 23296 C CA . ALA L 1 185 ? 13.048 138.248 97.734 1.00 25.66 ? ? ? ? ? ? 184 ALA L CA 1 +ATOM 23297 C C . ALA L 1 185 ? 11.652 138.165 98.355 1.00 26.46 ? ? ? ? ? ? 184 ALA L C 1 +ATOM 23298 O O . ALA L 1 185 ? 10.827 139.040 98.143 1.00 27.64 ? ? ? ? ? ? 184 ALA L O 1 +ATOM 23299 C CB . ALA L 1 185 ? 13.967 139.038 98.625 1.00 23.63 ? ? ? ? ? ? 184 ALA L CB 1 +ATOM 23300 N N . GLY L 1 186 ? 11.359 137.094 99.078 1.00 26.06 ? ? ? ? ? ? 185 GLY L N 1 +ATOM 23301 C CA . GLY L 1 186 ? 10.186 137.035 99.968 1.00 24.50 ? ? ? ? ? ? 185 GLY L CA 1 +ATOM 23302 C C . GLY L 1 186 ? 10.619 137.615 101.326 1.00 25.41 ? ? ? ? ? ? 185 GLY L C 1 +ATOM 23303 O O . GLY L 1 186 ? 11.818 137.919 101.531 1.00 24.85 ? ? ? ? ? ? 185 GLY L O 1 +ATOM 23304 N N . ASP L 1 187 ? 9.673 137.745 102.255 1.00 26.34 ? ? ? ? ? ? 186 ASP L N 1 +ATOM 23305 C CA A ASP L 1 187 ? 9.933 138.379 103.555 0.50 28.73 ? ? ? ? ? ? 186 ASP L CA 1 +ATOM 23306 C CA B ASP L 1 187 ? 9.927 138.387 103.559 0.50 27.52 ? ? ? ? ? ? 186 ASP L CA 1 +ATOM 23307 C C . ASP L 1 187 ? 10.754 137.525 104.530 1.00 27.43 ? ? ? ? ? ? 186 ASP L C 1 +ATOM 23308 O O . ASP L 1 187 ? 11.184 138.020 105.566 1.00 27.37 ? ? ? ? ? ? 186 ASP L O 1 +ATOM 23309 C CB A ASP L 1 187 ? 8.611 138.789 104.237 0.50 29.96 ? ? ? ? ? ? 186 ASP L CB 1 +ATOM 23310 C CB B ASP L 1 187 ? 8.596 138.767 104.255 0.50 27.76 ? ? ? ? ? ? 186 ASP L CB 1 +ATOM 23311 C CG A ASP L 1 187 ? 7.657 137.613 104.464 0.50 36.40 ? ? ? ? ? ? 186 ASP L CG 1 +ATOM 23312 C CG B ASP L 1 187 ? 7.988 140.069 103.731 0.50 27.72 ? ? ? ? ? ? 186 ASP L CG 1 +ATOM 23313 O OD1 A ASP L 1 187 ? 8.078 136.427 104.393 0.50 41.02 ? ? ? ? ? ? 186 ASP L OD1 1 +ATOM 23314 O OD1 B ASP L 1 187 ? 8.718 140.901 103.153 0.50 24.82 ? ? ? ? ? ? 186 ASP L OD1 1 +ATOM 23315 O OD2 A ASP L 1 187 ? 6.457 137.890 104.709 0.50 47.12 ? ? ? ? ? ? 186 ASP L OD2 1 +ATOM 23316 O OD2 B ASP L 1 187 ? 6.764 140.262 103.917 0.50 31.87 ? ? ? ? ? ? 186 ASP L OD2 1 +ATOM 23317 N N . GLY L 1 188 ? 10.943 136.241 104.220 1.00 27.33 ? ? ? ? ? ? 187 GLY L N 1 +ATOM 23318 C CA . GLY L 1 188 ? 11.638 135.310 105.124 1.00 26.85 ? ? ? ? ? ? 187 GLY L CA 1 +ATOM 23319 C C . GLY L 1 188 ? 10.957 135.116 106.481 1.00 27.20 ? ? ? ? ? ? 187 GLY L C 1 +ATOM 23320 O O . GLY L 1 188 ? 11.634 135.035 107.520 1.00 25.62 ? ? ? ? ? ? 187 GLY L O 1 +ATOM 23321 N N . GLU L 1 189 ? 9.621 135.036 106.495 1.00 28.15 ? ? ? ? ? ? 188 GLU L N 1 +ATOM 23322 C CA . GLU L 1 189 ? 8.901 134.829 107.762 1.00 30.62 ? ? ? ? ? ? 188 GLU L CA 1 +ATOM 23323 C C . GLU L 1 189 ? 9.209 133.424 108.240 1.00 30.71 ? ? ? ? ? ? 188 GLU L C 1 +ATOM 23324 O O . GLU L 1 189 ? 9.159 132.475 107.447 1.00 30.50 ? ? ? ? ? ? 188 GLU L O 1 +ATOM 23325 C CB . GLU L 1 189 ? 7.368 134.969 107.623 1.00 31.46 ? ? ? ? ? ? 188 GLU L CB 1 +ATOM 23326 N N . SER L 1 190 ? 9.500 133.308 109.536 1.00 31.96 ? ? ? ? ? ? 189 SER L N 1 +ATOM 23327 C CA . SER L 1 190 ? 9.764 132.028 110.216 1.00 33.01 ? ? ? ? ? ? 189 SER L CA 1 +ATOM 23328 C C . SER L 1 190 ? 8.745 131.772 111.349 1.00 33.88 ? ? ? ? ? ? 189 SER L C 1 +ATOM 23329 O O . SER L 1 190 ? 8.265 132.719 111.986 1.00 34.85 ? ? ? ? ? ? 189 SER L O 1 +ATOM 23330 C CB . SER L 1 190 ? 11.180 132.031 110.794 1.00 35.24 ? ? ? ? ? ? 189 SER L CB 1 +ATOM 23331 O OG . SER L 1 190 ? 11.383 133.180 111.631 1.00 39.45 ? ? ? ? ? ? 189 SER L OG 1 +ATOM 23332 N N . LYS L 1 191 ? 8.397 130.501 111.573 1.00 32.58 ? ? ? ? ? ? 190 LYS L N 1 +ATOM 23333 C CA . LYS L 1 191 ? 7.523 130.099 112.673 1.00 34.30 ? ? ? ? ? ? 190 LYS L CA 1 +ATOM 23334 C C . LYS L 1 191 ? 8.337 129.291 113.688 1.00 32.23 ? ? ? ? ? ? 190 LYS L C 1 +ATOM 23335 O O . LYS L 1 191 ? 9.165 128.444 113.314 1.00 31.06 ? ? ? ? ? ? 190 LYS L O 1 +ATOM 23336 C CB . LYS L 1 191 ? 6.382 129.231 112.195 1.00 34.85 ? ? ? ? ? ? 190 LYS L CB 1 +ATOM 23337 C CG . LYS L 1 191 ? 5.400 129.905 111.273 1.00 42.42 ? ? ? ? ? ? 190 LYS L CG 1 +ATOM 23338 C CD . LYS L 1 191 ? 4.198 128.945 111.049 1.00 47.75 ? ? ? ? ? ? 190 LYS L CD 1 +ATOM 23339 C CE . LYS L 1 191 ? 3.132 129.531 110.108 1.00 54.95 ? ? ? ? ? ? 190 LYS L CE 1 +ATOM 23340 N NZ . LYS L 1 191 ? 1.941 128.607 109.937 1.00 55.22 ? ? ? ? ? ? 190 LYS L NZ 1 +ATOM 23341 N N . PRO L 1 192 ? 8.088 129.523 114.985 1.00 31.15 ? ? ? ? ? ? 191 PRO L N 1 +ATOM 23342 C CA . PRO L 1 192 ? 8.904 128.835 115.981 1.00 29.92 ? ? ? ? ? ? 191 PRO L CA 1 +ATOM 23343 C C . PRO L 1 192 ? 8.307 127.440 116.295 1.00 27.35 ? ? ? ? ? ? 191 PRO L C 1 +ATOM 23344 O O . PRO L 1 192 ? 7.297 127.053 115.709 1.00 26.78 ? ? ? ? ? ? 191 PRO L O 1 +ATOM 23345 C CB . PRO L 1 192 ? 8.824 129.784 117.177 1.00 32.70 ? ? ? ? ? ? 191 PRO L CB 1 +ATOM 23346 C CG . PRO L 1 192 ? 7.367 130.359 117.067 1.00 34.16 ? ? ? ? ? ? 191 PRO L CG 1 +ATOM 23347 C CD . PRO L 1 192 ? 7.061 130.396 115.596 1.00 31.30 ? ? ? ? ? ? 191 PRO L CD 1 +ATOM 23348 N N . PHE L 1 193 ? 8.926 126.709 117.214 1.00 26.72 ? ? ? ? ? ? 192 PHE L N 1 +ATOM 23349 C CA . PHE L 1 193 ? 8.395 125.437 117.676 1.00 25.60 ? ? ? ? ? ? 192 PHE L CA 1 +ATOM 23350 C C . PHE L 1 193 ? 7.162 125.645 118.587 1.00 26.34 ? ? ? ? ? ? 192 PHE L C 1 +ATOM 23351 O O . PHE L 1 193 ? 6.981 126.729 119.177 1.00 26.24 ? ? ? ? ? ? 192 PHE L O 1 +ATOM 23352 C CB . PHE L 1 193 ? 9.459 124.657 118.456 1.00 26.36 ? ? ? ? ? ? 192 PHE L CB 1 +ATOM 23353 C CG . PHE L 1 193 ? 10.760 124.390 117.708 1.00 22.76 ? ? ? ? ? ? 192 PHE L CG 1 +ATOM 23354 C CD1 . PHE L 1 193 ? 10.806 123.533 116.620 1.00 25.65 ? ? ? ? ? ? 192 PHE L CD1 1 +ATOM 23355 C CD2 . PHE L 1 193 ? 11.954 124.917 118.173 1.00 24.89 ? ? ? ? ? ? 192 PHE L CD2 1 +ATOM 23356 C CE1 . PHE L 1 193 ? 12.029 123.250 115.971 1.00 25.05 ? ? ? ? ? ? 192 PHE L CE1 1 +ATOM 23357 C CE2 . PHE L 1 193 ? 13.178 124.646 117.540 1.00 25.91 ? ? ? ? ? ? 192 PHE L CE2 1 +ATOM 23358 C CZ . PHE L 1 193 ? 13.209 123.811 116.427 1.00 26.55 ? ? ? ? ? ? 192 PHE L CZ 1 +ATOM 23359 N N . ALA L 1 194 ? 6.328 124.601 118.706 1.00 26.21 ? ? ? ? ? ? 193 ALA L N 1 +ATOM 23360 C CA . ALA L 1 194 ? 5.230 124.543 119.676 1.00 27.35 ? ? ? ? ? ? 193 ALA L CA 1 +ATOM 23361 C C . ALA L 1 194 ? 5.723 124.085 121.086 1.00 28.38 ? ? ? ? ? ? 193 ALA L C 1 +ATOM 23362 O O . ALA L 1 194 ? 4.988 124.161 122.078 1.00 29.73 ? ? ? ? ? ? 193 ALA L O 1 +ATOM 23363 C CB . ALA L 1 194 ? 4.124 123.609 119.173 1.00 26.04 ? ? ? ? ? ? 193 ALA L CB 1 +ATOM 23364 N N . ILE L 1 195 ? 6.966 123.612 121.161 1.00 28.02 ? ? ? ? ? ? 194 ILE L N 1 +ATOM 23365 C CA . ILE L 1 195 ? 7.590 123.237 122.428 1.00 25.53 ? ? ? ? ? ? 194 ILE L CA 1 +ATOM 23366 C C . ILE L 1 195 ? 8.377 124.475 122.913 1.00 26.34 ? ? ? ? ? ? 194 ILE L C 1 +ATOM 23367 O O . ILE L 1 195 ? 9.440 124.821 122.361 1.00 26.87 ? ? ? ? ? ? 194 ILE L O 1 +ATOM 23368 C CB . ILE L 1 195 ? 8.472 121.927 122.258 1.00 27.11 ? ? ? ? ? ? 194 ILE L CB 1 +ATOM 23369 C CG1 . ILE L 1 195 ? 7.570 120.746 121.888 1.00 22.06 ? ? ? ? ? ? 194 ILE L CG1 1 +ATOM 23370 C CG2 . ILE L 1 195 ? 9.284 121.613 123.535 1.00 21.78 ? ? ? ? ? ? 194 ILE L CG2 1 +ATOM 23371 C CD1 . ILE L 1 195 ? 8.257 119.601 121.229 1.00 23.97 ? ? ? ? ? ? 194 ILE L CD1 1 +ATOM 23372 N N . ALA L 1 196 ? 7.827 125.173 123.919 1.00 25.89 ? ? ? ? ? ? 195 ALA L N 1 +ATOM 23373 C CA . ALA L 1 196 ? 8.409 126.434 124.428 1.00 25.11 ? ? ? ? ? ? 195 ALA L CA 1 +ATOM 23374 C C . ALA L 1 196 ? 9.889 126.336 124.771 1.00 24.70 ? ? ? ? ? ? 195 ALA L C 1 +ATOM 23375 O O . ALA L 1 196 ? 10.688 127.197 124.376 1.00 25.77 ? ? ? ? ? ? 195 ALA L O 1 +ATOM 23376 C CB . ALA L 1 196 ? 7.622 126.892 125.656 1.00 26.98 ? ? ? ? ? ? 195 ALA L CB 1 +ATOM 23377 N N . SER L 1 197 ? 10.251 125.306 125.547 1.00 24.63 ? ? ? ? ? ? 196 SER L N 1 +ATOM 23378 C CA . SER L 1 197 ? 11.637 125.109 126.012 1.00 23.80 ? ? ? ? ? ? 196 SER L CA 1 +ATOM 23379 C C . SER L 1 197 ? 12.661 125.016 124.867 1.00 23.74 ? ? ? ? ? ? 196 SER L C 1 +ATOM 23380 O O . SER L 1 197 ? 13.815 125.416 125.027 1.00 23.77 ? ? ? ? ? ? 196 SER L O 1 +ATOM 23381 C CB . SER L 1 197 ? 11.736 123.831 126.847 1.00 25.80 ? ? ? ? ? ? 196 SER L CB 1 +ATOM 23382 O OG . SER L 1 197 ? 10.980 123.897 128.031 1.00 26.33 ? ? ? ? ? ? 196 SER L OG 1 +ATOM 23383 N N . LEU L 1 198 ? 12.232 124.514 123.706 1.00 23.83 ? ? ? ? ? ? 197 LEU L N 1 +ATOM 23384 C CA . LEU L 1 198 ? 13.077 124.485 122.522 1.00 24.32 ? ? ? ? ? ? 197 LEU L CA 1 +ATOM 23385 C C . LEU L 1 198 ? 13.302 125.870 121.943 1.00 25.27 ? ? ? ? ? ? 197 LEU L C 1 +ATOM 23386 O O . LEU L 1 198 ? 14.413 126.185 121.499 1.00 26.00 ? ? ? ? ? ? 197 LEU L O 1 +ATOM 23387 C CB . LEU L 1 198 ? 12.497 123.562 121.467 1.00 25.15 ? ? ? ? ? ? 197 LEU L CB 1 +ATOM 23388 C CG . LEU L 1 198 ? 12.550 122.051 121.739 1.00 26.13 ? ? ? ? ? ? 197 LEU L CG 1 +ATOM 23389 C CD1 . LEU L 1 198 ? 12.055 121.356 120.530 1.00 23.91 ? ? ? ? ? ? 197 LEU L CD1 1 +ATOM 23390 C CD2 . LEU L 1 198 ? 13.971 121.574 122.126 1.00 21.06 ? ? ? ? ? ? 197 LEU L CD2 1 +ATOM 23391 N N . ASN L 1 199 ? 12.265 126.704 121.956 1.00 26.74 ? ? ? ? ? ? 198 ASN L N 1 +ATOM 23392 C CA . ASN L 1 199 ? 12.421 128.114 121.560 1.00 27.53 ? ? ? ? ? ? 198 ASN L CA 1 +ATOM 23393 C C . ASN L 1 199 ? 13.315 128.891 122.556 1.00 27.77 ? ? ? ? ? ? 198 ASN L C 1 +ATOM 23394 O O . ASN L 1 199 ? 14.050 129.814 122.177 1.00 27.79 ? ? ? ? ? ? 198 ASN L O 1 +ATOM 23395 C CB . ASN L 1 199 ? 11.046 128.795 121.421 1.00 28.69 ? ? ? ? ? ? 198 ASN L CB 1 +ATOM 23396 C CG . ASN L 1 199 ? 10.199 128.182 120.340 1.00 28.15 ? ? ? ? ? ? 198 ASN L CG 1 +ATOM 23397 O OD1 . ASN L 1 199 ? 10.719 127.820 119.271 1.00 30.94 ? ? ? ? ? ? 198 ASN L OD1 1 +ATOM 23398 N ND2 . ASN L 1 199 ? 8.882 128.050 120.599 1.00 26.07 ? ? ? ? ? ? 198 ASN L ND2 1 +ATOM 23399 N N . GLU L 1 200 ? 13.268 128.476 123.825 1.00 29.00 ? ? ? ? ? ? 199 GLU L N 1 +ATOM 23400 C CA . GLU L 1 200 ? 14.096 129.050 124.894 1.00 31.00 ? ? ? ? ? ? 199 GLU L CA 1 +ATOM 23401 C C . GLU L 1 200 ? 15.498 128.471 124.891 1.00 30.06 ? ? ? ? ? ? 199 GLU L C 1 +ATOM 23402 O O . GLU L 1 200 ? 16.337 128.873 125.702 1.00 29.97 ? ? ? ? ? ? 199 GLU L O 1 +ATOM 23403 C CB . GLU L 1 200 ? 13.463 128.784 126.273 1.00 31.80 ? ? ? ? ? ? 199 GLU L CB 1 +ATOM 23404 C CG . GLU L 1 200 ? 12.045 129.347 126.516 1.00 35.30 ? ? ? ? ? ? 199 GLU L CG 1 +ATOM 23405 C CD . GLU L 1 200 ? 11.376 128.722 127.762 1.00 40.22 ? ? ? ? ? ? 199 GLU L CD 1 +ATOM 23406 O OE1 . GLU L 1 200 ? 12.114 128.382 128.734 1.00 49.40 ? ? ? ? ? ? 199 GLU L OE1 1 +ATOM 23407 O OE2 . GLU L 1 200 ? 10.125 128.567 127.768 1.00 54.53 ? ? ? ? ? ? 199 GLU L OE2 1 +ATOM 23408 N N . LYS L 1 201 ? 15.748 127.512 124.000 1.00 30.13 ? ? ? ? ? ? 200 LYS L N 1 +ATOM 23409 C CA . LYS L 1 201 ? 17.075 126.885 123.815 1.00 29.95 ? ? ? ? ? ? 200 LYS L CA 1 +ATOM 23410 C C . LYS L 1 201 ? 17.535 126.033 124.991 1.00 27.46 ? ? ? ? ? ? 200 LYS L C 1 +ATOM 23411 O O . LYS L 1 201 ? 18.708 125.867 125.214 1.00 28.07 ? ? ? ? ? ? 200 LYS L O 1 +ATOM 23412 C CB . LYS L 1 201 ? 18.133 127.921 123.421 1.00 30.73 ? ? ? ? ? ? 200 LYS L CB 1 +ATOM 23413 C CG . LYS L 1 201 ? 17.794 128.605 122.090 1.00 36.50 ? ? ? ? ? ? 200 LYS L CG 1 +ATOM 23414 C CD . LYS L 1 201 ? 18.940 129.462 121.622 1.00 43.30 ? ? ? ? ? ? 200 LYS L CD 1 +ATOM 23415 C CE . LYS L 1 201 ? 18.535 130.454 120.549 1.00 50.26 ? ? ? ? ? ? 200 LYS L CE 1 +ATOM 23416 N NZ . LYS L 1 201 ? 19.640 131.458 120.377 1.00 54.99 ? ? ? ? ? ? 200 LYS L NZ 1 +ATOM 23417 N N . VAL L 1 202 ? 16.595 125.465 125.722 1.00 25.30 ? ? ? ? ? ? 201 VAL L N 1 +ATOM 23418 C CA . VAL L 1 202 ? 16.929 124.507 126.789 1.00 24.53 ? ? ? ? ? ? 201 VAL L CA 1 +ATOM 23419 C C . VAL L 1 202 ? 17.564 123.263 126.165 1.00 23.91 ? ? ? ? ? ? 201 VAL L C 1 +ATOM 23420 O O . VAL L 1 202 ? 18.512 122.698 126.726 1.00 23.57 ? ? ? ? ? ? 201 VAL L O 1 +ATOM 23421 C CB . VAL L 1 202 ? 15.708 124.157 127.619 1.00 23.87 ? ? ? ? ? ? 201 VAL L CB 1 +ATOM 23422 C CG1 . VAL L 1 202 ? 16.064 123.114 128.677 1.00 22.65 ? ? ? ? ? ? 201 VAL L CG1 1 +ATOM 23423 C CG2 . VAL L 1 202 ? 15.132 125.461 128.259 1.00 20.13 ? ? ? ? ? ? 201 VAL L CG2 1 +ATOM 23424 N N . ALA L 1 203 ? 17.060 122.861 124.996 1.00 22.80 ? ? ? ? ? ? 202 ALA L N 1 +ATOM 23425 C CA . ALA L 1 203 ? 17.662 121.800 124.182 1.00 21.25 ? ? ? ? ? ? 202 ALA L CA 1 +ATOM 23426 C C . ALA L 1 203 ? 17.547 122.188 122.718 1.00 22.31 ? ? ? ? ? ? 202 ALA L C 1 +ATOM 23427 O O . ALA L 1 203 ? 16.719 123.033 122.359 1.00 22.61 ? ? ? ? ? ? 202 ALA L O 1 +ATOM 23428 C CB . ALA L 1 203 ? 16.952 120.449 124.406 1.00 20.33 ? ? ? ? ? ? 202 ALA L CB 1 +ATOM 23429 N N . TRP L 1 204 ? 18.351 121.526 121.882 1.00 22.38 ? ? ? ? ? ? 203 TRP L N 1 +ATOM 23430 C CA . TRP L 1 204 ? 18.408 121.763 120.445 1.00 21.01 ? ? ? ? ? ? 203 TRP L CA 1 +ATOM 23431 C C . TRP L 1 204 ? 17.665 120.667 119.662 1.00 20.50 ? ? ? ? ? ? 203 TRP L C 1 +ATOM 23432 O O . TRP L 1 204 ? 17.865 119.471 119.913 1.00 19.14 ? ? ? ? ? ? 203 TRP L O 1 +ATOM 23433 C CB . TRP L 1 204 ? 19.893 121.845 119.993 1.00 20.42 ? ? ? ? ? ? 203 TRP L CB 1 +ATOM 23434 C CG . TRP L 1 204 ? 20.040 122.136 118.537 1.00 20.84 ? ? ? ? ? ? 203 TRP L CG 1 +ATOM 23435 C CD1 . TRP L 1 204 ? 20.088 123.370 117.929 1.00 24.16 ? ? ? ? ? ? 203 TRP L CD1 1 +ATOM 23436 C CD2 . TRP L 1 204 ? 20.105 121.168 117.481 1.00 22.97 ? ? ? ? ? ? 203 TRP L CD2 1 +ATOM 23437 N NE1 . TRP L 1 204 ? 20.199 123.216 116.567 1.00 25.28 ? ? ? ? ? ? 203 TRP L NE1 1 +ATOM 23438 C CE2 . TRP L 1 204 ? 20.212 121.880 116.266 1.00 21.69 ? ? ? ? ? ? 203 TRP L CE2 1 +ATOM 23439 C CE3 . TRP L 1 204 ? 20.104 119.770 117.452 1.00 21.85 ? ? ? ? ? ? 203 TRP L CE3 1 +ATOM 23440 C CZ2 . TRP L 1 204 ? 20.318 121.243 115.041 1.00 25.97 ? ? ? ? ? ? 203 TRP L CZ2 1 +ATOM 23441 C CZ3 . TRP L 1 204 ? 20.197 119.136 116.230 1.00 23.71 ? ? ? ? ? ? 203 TRP L CZ3 1 +ATOM 23442 C CH2 . TRP L 1 204 ? 20.295 119.863 115.044 1.00 25.64 ? ? ? ? ? ? 203 TRP L CH2 1 +ATOM 23443 N N . VAL L 1 205 ? 16.773 121.099 118.763 1.00 20.07 ? ? ? ? ? ? 204 VAL L N 1 +ATOM 23444 C CA . VAL L 1 205 ? 16.165 120.266 117.695 1.00 20.61 ? ? ? ? ? ? 204 VAL L CA 1 +ATOM 23445 C C . VAL L 1 205 ? 16.404 121.038 116.374 1.00 22.24 ? ? ? ? ? ? 204 VAL L C 1 +ATOM 23446 O O . VAL L 1 205 ? 16.419 122.300 116.364 1.00 22.13 ? ? ? ? ? ? 204 VAL L O 1 +ATOM 23447 C CB . VAL L 1 205 ? 14.634 120.058 117.909 1.00 21.55 ? ? ? ? ? ? 204 VAL L CB 1 +ATOM 23448 C CG1 . VAL L 1 205 ? 13.955 119.412 116.677 1.00 21.15 ? ? ? ? ? ? 204 VAL L CG1 1 +ATOM 23449 C CG2 . VAL L 1 205 ? 14.353 119.216 119.153 1.00 22.01 ? ? ? ? ? ? 204 VAL L CG2 1 +ATOM 23450 N N . PRO L 1 206 ? 16.637 120.319 115.264 1.00 21.46 ? ? ? ? ? ? 205 PRO L N 1 +ATOM 23451 C CA . PRO L 1 206 ? 16.700 121.100 114.035 1.00 22.73 ? ? ? ? ? ? 205 PRO L CA 1 +ATOM 23452 C C . PRO L 1 206 ? 15.331 121.682 113.641 1.00 22.99 ? ? ? ? ? ? 205 PRO L C 1 +ATOM 23453 O O . PRO L 1 206 ? 14.278 121.009 113.803 1.00 23.39 ? ? ? ? ? ? 205 PRO L O 1 +ATOM 23454 C CB . PRO L 1 206 ? 17.157 120.067 112.998 1.00 22.75 ? ? ? ? ? ? 205 PRO L CB 1 +ATOM 23455 C CG . PRO L 1 206 ? 16.649 118.799 113.525 1.00 23.18 ? ? ? ? ? ? 205 PRO L CG 1 +ATOM 23456 C CD . PRO L 1 206 ? 16.864 118.891 115.010 1.00 22.07 ? ? ? ? ? ? 205 PRO L CD 1 +ATOM 23457 N N . ARG L 1 207 ? 15.370 122.918 113.154 1.00 23.35 ? ? ? ? ? ? 206 ARG L N 1 +ATOM 23458 C CA . ARG L 1 207 ? 14.229 123.578 112.553 1.00 25.40 ? ? ? ? ? ? 206 ARG L CA 1 +ATOM 23459 C C . ARG L 1 207 ? 13.732 122.758 111.344 1.00 22.96 ? ? ? ? ? ? 206 ARG L C 1 +ATOM 23460 O O . ARG L 1 207 ? 14.536 122.286 110.539 1.00 22.06 ? ? ? ? ? ? 206 ARG L O 1 +ATOM 23461 C CB . ARG L 1 207 ? 14.682 124.978 112.116 1.00 26.81 ? ? ? ? ? ? 206 ARG L CB 1 +ATOM 23462 C CG . ARG L 1 207 ? 13.610 125.891 111.576 1.00 31.92 ? ? ? ? ? ? 206 ARG L CG 1 +ATOM 23463 C CD . ARG L 1 207 ? 14.207 127.036 110.739 1.00 33.43 ? ? ? ? ? ? 206 ARG L CD 1 +ATOM 23464 N NE . ARG L 1 207 ? 15.114 127.899 111.488 1.00 42.62 ? ? ? ? ? ? 206 ARG L NE 1 +ATOM 23465 C CZ . ARG L 1 207 ? 14.737 128.890 112.298 1.00 48.92 ? ? ? ? ? ? 206 ARG L CZ 1 +ATOM 23466 N NH1 . ARG L 1 207 ? 13.437 129.174 112.501 1.00 47.65 ? ? ? ? ? ? 206 ARG L NH1 1 +ATOM 23467 N NH2 . ARG L 1 207 ? 15.675 129.613 112.909 1.00 48.15 ? ? ? ? ? ? 206 ARG L NH2 1 +ATOM 23468 N N . HIS L 1 208 ? 12.416 122.578 111.227 1.00 23.03 ? ? ? ? ? ? 207 HIS L N 1 +ATOM 23469 C CA . HIS L 1 208 ? 11.829 121.916 110.062 1.00 22.73 ? ? ? ? ? ? 207 HIS L CA 1 +ATOM 23470 C C . HIS L 1 208 ? 11.440 122.999 109.078 1.00 24.16 ? ? ? ? ? ? 207 HIS L C 1 +ATOM 23471 O O . HIS L 1 208 ? 10.579 123.842 109.365 1.00 23.80 ? ? ? ? ? ? 207 HIS L O 1 +ATOM 23472 C CB . HIS L 1 208 ? 10.611 121.068 110.462 1.00 22.67 ? ? ? ? ? ? 207 HIS L CB 1 +ATOM 23473 C CG . HIS L 1 208 ? 10.964 119.824 111.230 1.00 24.95 ? ? ? ? ? ? 207 HIS L CG 1 +ATOM 23474 N ND1 . HIS L 1 208 ? 10.277 118.635 111.081 1.00 29.12 ? ? ? ? ? ? 207 HIS L ND1 1 +ATOM 23475 C CD2 . HIS L 1 208 ? 11.965 119.566 112.108 1.00 23.67 ? ? ? ? ? ? 207 HIS L CD2 1 +ATOM 23476 C CE1 . HIS L 1 208 ? 10.815 117.708 111.856 1.00 24.80 ? ? ? ? ? ? 207 HIS L CE1 1 +ATOM 23477 N NE2 . HIS L 1 208 ? 11.846 118.245 112.487 1.00 26.47 ? ? ? ? ? ? 207 HIS L NE2 1 +ATOM 23478 N N . TRP L 1 209 ? 12.075 122.995 107.915 1.00 24.24 ? ? ? ? ? ? 208 TRP L N 1 +ATOM 23479 C CA . TRP L 1 209 ? 11.865 124.062 106.936 1.00 24.52 ? ? ? ? ? ? 208 TRP L CA 1 +ATOM 23480 C C . TRP L 1 209 ? 10.454 124.089 106.327 1.00 25.80 ? ? ? ? ? ? 208 TRP L C 1 +ATOM 23481 O O . TRP L 1 209 ? 9.914 125.179 106.056 1.00 25.96 ? ? ? ? ? ? 208 TRP L O 1 +ATOM 23482 C CB . TRP L 1 209 ? 12.876 123.949 105.792 1.00 25.25 ? ? ? ? ? ? 208 TRP L CB 1 +ATOM 23483 C CG . TRP L 1 209 ? 13.818 125.090 105.693 1.00 22.98 ? ? ? ? ? ? 208 TRP L CG 1 +ATOM 23484 C CD1 . TRP L 1 209 ? 13.834 126.040 104.724 1.00 27.20 ? ? ? ? ? ? 208 TRP L CD1 1 +ATOM 23485 C CD2 . TRP L 1 209 ? 14.920 125.377 106.557 1.00 24.80 ? ? ? ? ? ? 208 TRP L CD2 1 +ATOM 23486 N NE1 . TRP L 1 209 ? 14.882 126.916 104.923 1.00 28.60 ? ? ? ? ? ? 208 TRP L NE1 1 +ATOM 23487 C CE2 . TRP L 1 209 ? 15.560 126.534 106.051 1.00 27.18 ? ? ? ? ? ? 208 TRP L CE2 1 +ATOM 23488 C CE3 . TRP L 1 209 ? 15.431 124.774 107.712 1.00 27.39 ? ? ? ? ? ? 208 TRP L CE3 1 +ATOM 23489 C CZ2 . TRP L 1 209 ? 16.656 127.108 106.668 1.00 25.38 ? ? ? ? ? ? 208 TRP L CZ2 1 +ATOM 23490 C CZ3 . TRP L 1 209 ? 16.538 125.338 108.313 1.00 28.85 ? ? ? ? ? ? 208 TRP L CZ3 1 +ATOM 23491 C CH2 . TRP L 1 209 ? 17.135 126.499 107.798 1.00 29.56 ? ? ? ? ? ? 208 TRP L CH2 1 +ATOM 23492 N N . ASP L 1 210 ? 9.891 122.904 106.085 1.00 25.77 ? ? ? ? ? ? 209 ASP L N 1 +ATOM 23493 C CA . ASP L 1 210 ? 8.522 122.772 105.596 1.00 28.32 ? ? ? ? ? ? 209 ASP L CA 1 +ATOM 23494 C C . ASP L 1 210 ? 7.473 123.403 106.552 1.00 29.57 ? ? ? ? ? ? 209 ASP L C 1 +ATOM 23495 O O . ASP L 1 210 ? 6.435 123.894 106.092 1.00 29.59 ? ? ? ? ? ? 209 ASP L O 1 +ATOM 23496 C CB . ASP L 1 210 ? 8.178 121.293 105.338 1.00 30.15 ? ? ? ? ? ? 209 ASP L CB 1 +ATOM 23497 C CG . ASP L 1 210 ? 8.321 120.412 106.593 1.00 31.59 ? ? ? ? ? ? 209 ASP L CG 1 +ATOM 23498 O OD1 . ASP L 1 210 ? 9.341 120.522 107.305 1.00 31.36 ? ? ? ? ? ? 209 ASP L OD1 1 +ATOM 23499 O OD2 . ASP L 1 210 ? 7.412 119.603 106.864 1.00 35.88 ? ? ? ? ? ? 209 ASP L OD2 1 +ATOM 23500 N N . LYS L 1 211 ? 7.765 123.408 107.860 1.00 29.80 ? ? ? ? ? ? 210 LYS L N 1 +ATOM 23501 C CA . LYS L 1 211 ? 6.838 123.929 108.864 1.00 29.92 ? ? ? ? ? ? 210 LYS L CA 1 +ATOM 23502 C C . LYS L 1 211 ? 7.158 125.358 109.272 1.00 29.91 ? ? ? ? ? ? 210 LYS L C 1 +ATOM 23503 O O . LYS L 1 211 ? 6.280 126.091 109.681 1.00 31.65 ? ? ? ? ? ? 210 LYS L O 1 +ATOM 23504 C CB . LYS L 1 211 ? 6.897 123.078 110.126 1.00 31.55 ? ? ? ? ? ? 210 LYS L CB 1 +ATOM 23505 C CG . LYS L 1 211 ? 6.749 121.580 109.924 1.00 35.62 ? ? ? ? ? ? 210 LYS L CG 1 +ATOM 23506 C CD . LYS L 1 211 ? 5.302 121.154 109.801 1.00 40.27 ? ? ? ? ? ? 210 LYS L CD 1 +ATOM 23507 C CE . LYS L 1 211 ? 5.214 119.627 109.781 1.00 46.34 ? ? ? ? ? ? 210 LYS L CE 1 +ATOM 23508 N NZ . LYS L 1 211 ? 3.826 119.154 109.471 1.00 51.06 ? ? ? ? ? ? 210 LYS L NZ 1 +ATOM 23509 N N . ALA L 1 212 ? 8.433 125.724 109.206 1.00 29.43 ? ? ? ? ? ? 211 ALA L N 1 +ATOM 23510 C CA . ALA L 1 212 ? 8.943 126.930 109.837 1.00 29.34 ? ? ? ? ? ? 211 ALA L CA 1 +ATOM 23511 C C . ALA L 1 212 ? 9.116 128.098 108.900 1.00 30.60 ? ? ? ? ? ? 211 ALA L C 1 +ATOM 23512 O O . ALA L 1 212 ? 9.268 129.219 109.377 1.00 32.34 ? ? ? ? ? ? 211 ALA L O 1 +ATOM 23513 C CB . ALA L 1 212 ? 10.271 126.644 110.474 1.00 31.41 ? ? ? ? ? ? 211 ALA L CB 1 +ATOM 23514 N N . THR L 1 213 ? 9.153 127.855 107.593 1.00 30.55 ? ? ? ? ? ? 212 THR L N 1 +ATOM 23515 C CA A THR L 1 213 ? 9.488 128.861 106.578 0.50 32.24 ? ? ? ? ? ? 212 THR L CA 1 +ATOM 23516 C CA B THR L 1 213 ? 9.334 128.971 106.669 0.50 32.71 ? ? ? ? ? ? 212 THR L CA 1 +ATOM 23517 C C . THR L 1 213 ? 8.479 128.765 105.438 1.00 32.61 ? ? ? ? ? ? 212 THR L C 1 +ATOM 23518 O O . THR L 1 213 ? 7.927 127.689 105.213 1.00 35.54 ? ? ? ? ? ? 212 THR L O 1 +ATOM 23519 C CB A THR L 1 213 ? 10.914 128.606 105.962 0.50 33.21 ? ? ? ? ? ? 212 THR L CB 1 +ATOM 23520 C CB B THR L 1 213 ? 10.846 129.293 106.323 0.50 33.18 ? ? ? ? ? ? 212 THR L CB 1 +ATOM 23521 O OG1 A THR L 1 213 ? 10.885 127.426 105.133 0.50 34.89 ? ? ? ? ? ? 212 THR L OG1 1 +ATOM 23522 O OG1 B THR L 1 213 ? 10.909 130.432 105.449 0.50 36.07 ? ? ? ? ? ? 212 THR L OG1 1 +ATOM 23523 C CG2 A THR L 1 213 ? 11.987 128.441 107.052 0.50 28.32 ? ? ? ? ? ? 212 THR L CG2 1 +ATOM 23524 C CG2 B THR L 1 213 ? 11.552 128.110 105.678 0.50 35.83 ? ? ? ? ? ? 212 THR L CG2 1 +ATOM 23525 N N . VAL L 1 214 ? 8.307 129.854 104.704 1.00 32.80 ? ? ? ? ? ? 213 VAL L N 1 +ATOM 23526 C CA . VAL L 1 214 ? 7.385 129.931 103.577 1.00 33.39 ? ? ? ? ? ? 213 VAL L CA 1 +ATOM 23527 C C . VAL L 1 214 ? 8.182 129.997 102.257 1.00 31.38 ? ? ? ? ? ? 213 VAL L C 1 +ATOM 23528 O O . VAL L 1 214 ? 7.877 129.280 101.311 1.00 32.34 ? ? ? ? ? ? 213 VAL L O 1 +ATOM 23529 C CB . VAL L 1 214 ? 6.478 131.197 103.732 1.00 34.79 ? ? ? ? ? ? 213 VAL L CB 1 +ATOM 23530 C CG1 . VAL L 1 214 ? 5.166 131.007 102.990 1.00 38.99 ? ? ? ? ? ? 213 VAL L CG1 1 +ATOM 23531 C CG2 . VAL L 1 214 ? 6.244 131.515 105.231 1.00 37.76 ? ? ? ? ? ? 213 VAL L CG2 1 +ATOM 23532 N N . ASP L 1 215 ? 9.211 130.831 102.202 1.00 28.91 ? ? ? ? ? ? 214 ASP L N 1 +ATOM 23533 C CA . ASP L 1 215 ? 10.013 131.013 100.970 1.00 29.12 ? ? ? ? ? ? 214 ASP L CA 1 +ATOM 23534 C C . ASP L 1 215 ? 11.425 130.388 101.028 1.00 27.26 ? ? ? ? ? ? 214 ASP L C 1 +ATOM 23535 O O . ASP L 1 215 ? 12.221 130.525 100.091 1.00 25.95 ? ? ? ? ? ? 214 ASP L O 1 +ATOM 23536 C CB . ASP L 1 215 ? 10.115 132.515 100.673 1.00 30.11 ? ? ? ? ? ? 214 ASP L CB 1 +ATOM 23537 C CG . ASP L 1 215 ? 10.576 133.316 101.866 1.00 31.27 ? ? ? ? ? ? 214 ASP L CG 1 +ATOM 23538 O OD1 . ASP L 1 215 ? 11.373 132.766 102.647 1.00 33.57 ? ? ? ? ? ? 214 ASP L OD1 1 +ATOM 23539 O OD2 . ASP L 1 215 ? 10.139 134.486 102.026 1.00 31.26 ? ? ? ? ? ? 214 ASP L OD2 1 +ATOM 23540 N N . SER L 1 216 ? 11.701 129.700 102.132 1.00 26.11 ? ? ? ? ? ? 215 SER L N 1 +ATOM 23541 C CA . SER L 1 216 ? 13.003 129.051 102.456 1.00 25.44 ? ? ? ? ? ? 215 SER L CA 1 +ATOM 23542 C C . SER L 1 216 ? 13.967 129.964 103.220 1.00 25.50 ? ? ? ? ? ? 215 SER L C 1 +ATOM 23543 O O . SER L 1 216 ? 14.993 129.515 103.724 1.00 27.05 ? ? ? ? ? ? 215 SER L O 1 +ATOM 23544 C CB . SER L 1 216 ? 13.680 128.392 101.243 1.00 24.96 ? ? ? ? ? ? 215 SER L CB 1 +ATOM 23545 O OG . SER L 1 216 ? 14.599 129.245 100.573 1.00 26.11 ? ? ? ? ? ? 215 SER L OG 1 +ATOM 23546 N N . GLY L 1 217 ? 13.656 131.250 103.296 1.00 23.86 ? ? ? ? ? ? 216 GLY L N 1 +ATOM 23547 C CA . GLY L 1 217 ? 14.472 132.160 104.052 1.00 22.98 ? ? ? ? ? ? 216 GLY L CA 1 +ATOM 23548 C C . GLY L 1 217 ? 14.041 132.212 105.506 1.00 22.66 ? ? ? ? ? ? 216 GLY L C 1 +ATOM 23549 O O . GLY L 1 217 ? 12.908 131.866 105.860 1.00 22.37 ? ? ? ? ? ? 216 GLY L O 1 +ATOM 23550 N N . VAL L 1 218 ? 14.980 132.656 106.337 1.00 23.91 ? ? ? ? ? ? 217 VAL L N 1 +ATOM 23551 C CA . VAL L 1 218 ? 14.754 132.927 107.768 1.00 24.17 ? ? ? ? ? ? 217 VAL L CA 1 +ATOM 23552 C C . VAL L 1 218 ? 15.351 134.312 108.090 1.00 24.76 ? ? ? ? ? ? 217 VAL L C 1 +ATOM 23553 O O . VAL L 1 218 ? 16.541 134.444 108.408 1.00 23.55 ? ? ? ? ? ? 217 VAL L O 1 +ATOM 23554 C CB . VAL L 1 218 ? 15.389 131.844 108.709 1.00 26.30 ? ? ? ? ? ? 217 VAL L CB 1 +ATOM 23555 C CG1 . VAL L 1 218 ? 14.934 132.091 110.184 1.00 23.69 ? ? ? ? ? ? 217 VAL L CG1 1 +ATOM 23556 C CG2 . VAL L 1 218 ? 15.011 130.417 108.255 1.00 22.90 ? ? ? ? ? ? 217 VAL L CG2 1 +ATOM 23557 N N . GLY L 1 219 ? 14.505 135.331 107.963 1.00 25.15 ? ? ? ? ? ? 218 GLY L N 1 +ATOM 23558 C CA . GLY L 1 219 ? 14.906 136.711 108.218 1.00 26.06 ? ? ? ? ? ? 218 GLY L CA 1 +ATOM 23559 C C . GLY L 1 219 ? 14.668 137.571 106.995 1.00 26.44 ? ? ? ? ? ? 218 GLY L C 1 +ATOM 23560 O O . GLY L 1 219 ? 14.902 137.143 105.868 1.00 26.44 ? ? ? ? ? ? 218 GLY L O 1 +ATOM 23561 N N . ASN L 1 220 ? 14.185 138.779 107.222 1.00 27.15 ? ? ? ? ? ? 219 ASN L N 1 +ATOM 23562 C CA . ASN L 1 220 ? 13.776 139.664 106.136 1.00 26.79 ? ? ? ? ? ? 219 ASN L CA 1 +ATOM 23563 C C . ASN L 1 220 ? 15.022 140.320 105.573 1.00 24.79 ? ? ? ? ? ? 219 ASN L C 1 +ATOM 23564 O O . ASN L 1 220 ? 15.775 140.955 106.342 1.00 25.63 ? ? ? ? ? ? 219 ASN L O 1 +ATOM 23565 C CB . ASN L 1 220 ? 12.771 140.697 106.644 1.00 28.73 ? ? ? ? ? ? 219 ASN L CB 1 +ATOM 23566 C CG . ASN L 1 220 ? 12.192 141.556 105.529 1.00 32.05 ? ? ? ? ? ? 219 ASN L CG 1 +ATOM 23567 O OD1 . ASN L 1 220 ? 12.892 141.949 104.587 1.00 33.08 ? ? ? ? ? ? 219 ASN L OD1 1 +ATOM 23568 N ND2 . ASN L 1 220 ? 10.912 141.867 105.642 1.00 27.99 ? ? ? ? ? ? 219 ASN L ND2 1 +ATOM 23569 N N . PRO L 1 221 ? 15.273 140.133 104.252 1.00 23.46 ? ? ? ? ? ? 220 PRO L N 1 +ATOM 23570 C CA . PRO L 1 221 ? 16.456 140.661 103.567 1.00 25.13 ? ? ? ? ? ? 220 PRO L CA 1 +ATOM 23571 C C . PRO L 1 221 ? 16.293 142.041 102.954 1.00 25.95 ? ? ? ? ? ? 220 PRO L C 1 +ATOM 23572 O O . PRO L 1 221 ? 17.244 142.558 102.368 1.00 24.76 ? ? ? ? ? ? 220 PRO L O 1 +ATOM 23573 C CB . PRO L 1 221 ? 16.670 139.623 102.447 1.00 25.12 ? ? ? ? ? ? 220 PRO L CB 1 +ATOM 23574 C CG . PRO L 1 221 ? 15.260 139.284 102.066 1.00 23.83 ? ? ? ? ? ? 220 PRO L CG 1 +ATOM 23575 C CD . PRO L 1 221 ? 14.457 139.311 103.333 1.00 24.87 ? ? ? ? ? ? 220 PRO L CD 1 +ATOM 23576 N N . LYS L 1 222 ? 15.113 142.636 103.112 1.00 27.86 ? ? ? ? ? ? 221 LYS L N 1 +ATOM 23577 C CA . LYS L 1 222 ? 14.680 143.726 102.236 1.00 31.50 ? ? ? ? ? ? 221 LYS L CA 1 +ATOM 23578 C C . LYS L 1 222 ? 15.457 145.013 102.442 1.00 27.19 ? ? ? ? ? ? 221 LYS L C 1 +ATOM 23579 O O . LYS L 1 222 ? 15.575 145.816 101.520 1.00 27.46 ? ? ? ? ? ? 221 LYS L O 1 +ATOM 23580 C CB . LYS L 1 222 ? 13.150 143.949 102.336 1.00 33.92 ? ? ? ? ? ? 221 LYS L CB 1 +ATOM 23581 C CG . LYS L 1 222 ? 12.296 142.810 101.696 1.00 36.95 ? ? ? ? ? ? 221 LYS L CG 1 +ATOM 23582 C CD . LYS L 1 222 ? 12.761 142.540 100.260 1.00 50.47 ? ? ? ? ? ? 221 LYS L CD 1 +ATOM 23583 C CE . LYS L 1 222 ? 11.603 142.175 99.315 1.00 61.55 ? ? ? ? ? ? 221 LYS L CE 1 +ATOM 23584 N NZ . LYS L 1 222 ? 11.950 142.377 97.863 1.00 60.52 ? ? ? ? ? ? 221 LYS L NZ 1 +ATOM 23585 N N . LYS L 1 223 ? 16.047 145.173 103.617 1.00 27.19 ? ? ? ? ? ? 222 LYS L N 1 +ATOM 23586 C CA . LYS L 1 223 ? 16.896 146.333 103.880 1.00 26.69 ? ? ? ? ? ? 222 LYS L CA 1 +ATOM 23587 C C . LYS L 1 223 ? 18.367 146.120 103.475 1.00 25.30 ? ? ? ? ? ? 222 LYS L C 1 +ATOM 23588 O O . LYS L 1 223 ? 19.232 146.949 103.771 1.00 24.92 ? ? ? ? ? ? 222 LYS L O 1 +ATOM 23589 C CB . LYS L 1 223 ? 16.775 146.718 105.345 1.00 29.90 ? ? ? ? ? ? 222 LYS L CB 1 +ATOM 23590 C CG . LYS L 1 223 ? 15.355 147.058 105.765 1.00 32.95 ? ? ? ? ? ? 222 LYS L CG 1 +ATOM 23591 C CD . LYS L 1 223 ? 15.388 147.754 107.106 1.00 43.69 ? ? ? ? ? ? 222 LYS L CD 1 +ATOM 23592 C CE . LYS L 1 223 ? 14.003 147.948 107.723 1.00 49.87 ? ? ? ? ? ? 222 LYS L CE 1 +ATOM 23593 N NZ . LYS L 1 223 ? 14.154 148.211 109.192 1.00 50.82 ? ? ? ? ? ? 222 LYS L NZ 1 +ATOM 23594 N N . ALA L 1 224 ? 18.641 145.042 102.746 1.00 24.56 ? ? ? ? ? ? 223 ALA L N 1 +ATOM 23595 C CA . ALA L 1 224 ? 19.991 144.764 102.250 1.00 22.83 ? ? ? ? ? ? 223 ALA L CA 1 +ATOM 23596 C C . ALA L 1 224 ? 20.488 145.774 101.220 1.00 22.95 ? ? ? ? ? ? 223 ALA L C 1 +ATOM 23597 O O . ALA L 1 224 ? 19.752 146.198 100.291 1.00 23.17 ? ? ? ? ? ? 223 ALA L O 1 +ATOM 23598 C CB . ALA L 1 224 ? 20.044 143.356 101.656 1.00 22.68 ? ? ? ? ? ? 223 ALA L CB 1 +ATOM 23599 N N . THR L 1 225 ? 21.760 146.131 101.337 1.00 22.15 ? ? ? ? ? ? 224 THR L N 1 +ATOM 23600 C CA . THR L 1 225 ? 22.427 146.902 100.309 1.00 22.36 ? ? ? ? ? ? 224 THR L CA 1 +ATOM 23601 C C . THR L 1 225 ? 23.853 146.416 100.111 1.00 21.96 ? ? ? ? ? ? 224 THR L C 1 +ATOM 23602 O O . THR L 1 225 ? 24.416 145.805 100.988 1.00 21.83 ? ? ? ? ? ? 224 THR L O 1 +ATOM 23603 C CB . THR L 1 225 ? 22.483 148.401 100.666 1.00 26.75 ? ? ? ? ? ? 224 THR L CB 1 +ATOM 23604 O OG1 . THR L 1 225 ? 23.572 148.640 101.566 1.00 25.57 ? ? ? ? ? ? 224 THR L OG1 1 +ATOM 23605 C CG2 . THR L 1 225 ? 21.135 148.900 101.279 1.00 20.95 ? ? ? ? ? ? 224 THR L CG2 1 +ATOM 23606 N N . ALA L 1 226 ? 24.418 146.689 98.941 1.00 21.72 ? ? ? ? ? ? 225 ALA L N 1 +ATOM 23607 C CA . ALA L 1 226 ? 25.819 146.349 98.641 1.00 21.91 ? ? ? ? ? ? 225 ALA L CA 1 +ATOM 23608 C C . ALA L 1 226 ? 26.794 147.036 99.591 1.00 24.15 ? ? ? ? ? ? 225 ALA L C 1 +ATOM 23609 O O . ALA L 1 226 ? 27.820 146.471 99.919 1.00 24.54 ? ? ? ? ? ? 225 ALA L O 1 +ATOM 23610 C CB . ALA L 1 226 ? 26.168 146.706 97.170 1.00 20.59 ? ? ? ? ? ? 225 ALA L CB 1 +ATOM 23611 N N . GLU L 1 227 ? 26.458 148.256 100.007 1.00 26.06 ? ? ? ? ? ? 226 GLU L N 1 +ATOM 23612 C CA . GLU L 1 227 ? 27.311 149.082 100.846 1.00 29.51 ? ? ? ? ? ? 226 GLU L CA 1 +ATOM 23613 C C . GLU L 1 227 ? 27.427 148.484 102.249 1.00 24.36 ? ? ? ? ? ? 226 GLU L C 1 +ATOM 23614 O O . GLU L 1 227 ? 28.517 148.440 102.815 1.00 23.81 ? ? ? ? ? ? 226 GLU L O 1 +ATOM 23615 C CB . GLU L 1 227 ? 26.739 150.508 100.895 1.00 29.47 ? ? ? ? ? ? 226 GLU L CB 1 +ATOM 23616 C CG . GLU L 1 227 ? 27.568 151.542 101.637 1.00 40.05 ? ? ? ? ? ? 226 GLU L CG 1 +ATOM 23617 C CD . GLU L 1 227 ? 26.883 152.921 101.717 1.00 40.63 ? ? ? ? ? ? 226 GLU L CD 1 +ATOM 23618 O OE1 . GLU L 1 227 ? 25.622 152.990 101.731 1.00 62.87 ? ? ? ? ? ? 226 GLU L OE1 1 +ATOM 23619 O OE2 . GLU L 1 227 ? 27.607 153.948 101.766 1.00 67.50 ? ? ? ? ? ? 226 GLU L OE2 1 +ATOM 23620 N N . LYS L 1 228 ? 26.301 148.025 102.788 1.00 23.47 ? ? ? ? ? ? 227 LYS L N 1 +ATOM 23621 C CA . LYS L 1 228 ? 26.266 147.347 104.077 1.00 24.20 ? ? ? ? ? ? 227 LYS L CA 1 +ATOM 23622 C C . LYS L 1 228 ? 27.140 146.088 104.064 1.00 23.51 ? ? ? ? ? ? 227 LYS L C 1 +ATOM 23623 O O . LYS L 1 228 ? 27.696 145.703 105.092 1.00 23.81 ? ? ? ? ? ? 227 LYS L O 1 +ATOM 23624 C CB . LYS L 1 228 ? 24.839 146.931 104.426 1.00 23.14 ? ? ? ? ? ? 227 LYS L CB 1 +ATOM 23625 C CG . LYS L 1 228 ? 23.901 148.059 104.827 1.00 25.98 ? ? ? ? ? ? 227 LYS L CG 1 +ATOM 23626 C CD . LYS L 1 228 ? 22.617 147.428 105.378 1.00 29.02 ? ? ? ? ? ? 227 LYS L CD 1 +ATOM 23627 C CE . LYS L 1 228 ? 21.493 148.427 105.570 1.00 28.75 ? ? ? ? ? ? 227 LYS L CE 1 +ATOM 23628 N NZ . LYS L 1 228 ? 20.322 147.741 106.232 1.00 28.02 ? ? ? ? ? ? 227 LYS L NZ 1 +ATOM 23629 N N . GLY L 1 229 ? 27.170 145.420 102.915 1.00 23.40 ? ? ? ? ? ? 228 GLY L N 1 +ATOM 23630 C CA . GLY L 1 229 ? 27.965 144.209 102.709 1.00 23.04 ? ? ? ? ? ? 228 GLY L CA 1 +ATOM 23631 C C . GLY L 1 229 ? 29.442 144.513 102.661 1.00 23.90 ? ? ? ? ? ? 228 GLY L C 1 +ATOM 23632 O O . GLY L 1 229 ? 30.237 143.841 103.294 1.00 23.49 ? ? ? ? ? ? 228 GLY L O 1 +ATOM 23633 N N . GLU L 1 230 ? 29.792 145.542 101.888 1.00 25.06 ? ? ? ? ? ? 229 GLU L N 1 +ATOM 23634 C CA . GLU L 1 230 ? 31.171 145.970 101.742 1.00 26.85 ? ? ? ? ? ? 229 GLU L CA 1 +ATOM 23635 C C . GLU L 1 230 ? 31.764 146.349 103.085 1.00 25.84 ? ? ? ? ? ? 229 GLU L C 1 +ATOM 23636 O O . GLU L 1 230 ? 32.954 146.102 103.320 1.00 25.11 ? ? ? ? ? ? 229 GLU L O 1 +ATOM 23637 C CB . GLU L 1 230 ? 31.233 147.180 100.802 1.00 27.16 ? ? ? ? ? ? 229 GLU L CB 1 +ATOM 23638 C CG . GLU L 1 230 ? 32.577 147.887 100.726 1.00 28.85 ? ? ? ? ? ? 229 GLU L CG 1 +ATOM 23639 C CD . GLU L 1 230 ? 32.517 149.096 99.826 1.00 35.17 ? ? ? ? ? ? 229 GLU L CD 1 +ATOM 23640 O OE1 . GLU L 1 230 ? 31.518 149.862 99.881 1.00 45.24 ? ? ? ? ? ? 229 GLU L OE1 1 +ATOM 23641 O OE2 . GLU L 1 230 ? 33.464 149.269 99.043 1.00 48.65 ? ? ? ? ? ? 229 GLU L OE2 1 +ATOM 23642 N N . ARG L 1 231 ? 30.935 146.973 103.933 1.00 25.41 ? ? ? ? ? ? 230 ARG L N 1 +ATOM 23643 C CA . ARG L 1 231 ? 31.370 147.479 105.209 1.00 26.51 ? ? ? ? ? ? 230 ARG L CA 1 +ATOM 23644 C C . ARG L 1 231 ? 31.584 146.339 106.204 1.00 25.29 ? ? ? ? ? ? 230 ARG L C 1 +ATOM 23645 O O . ARG L 1 231 ? 32.596 146.335 106.898 1.00 25.68 ? ? ? ? ? ? 230 ARG L O 1 +ATOM 23646 C CB . ARG L 1 231 ? 30.332 148.470 105.726 1.00 28.24 ? ? ? ? ? ? 230 ARG L CB 1 +ATOM 23647 C CG . ARG L 1 231 ? 30.624 148.995 107.100 1.00 37.26 ? ? ? ? ? ? 230 ARG L CG 1 +ATOM 23648 C CD . ARG L 1 231 ? 29.627 150.043 107.526 1.00 34.14 ? ? ? ? ? ? 230 ARG L CD 1 +ATOM 23649 N NE . ARG L 1 231 ? 29.478 151.075 106.494 1.00 42.06 ? ? ? ? ? ? 230 ARG L NE 1 +ATOM 23650 C CZ . ARG L 1 231 ? 28.376 151.318 105.781 1.00 40.77 ? ? ? ? ? ? 230 ARG L CZ 1 +ATOM 23651 N NH1 . ARG L 1 231 ? 27.241 150.638 105.978 1.00 48.55 ? ? ? ? ? ? 230 ARG L NH1 1 +ATOM 23652 N NH2 . ARG L 1 231 ? 28.397 152.292 104.890 1.00 39.83 ? ? ? ? ? ? 230 ARG L NH2 1 +ATOM 23653 N N . TYR L 1 232 ? 30.636 145.390 106.262 1.00 23.16 ? ? ? ? ? ? 231 TYR L N 1 +ATOM 23654 C CA . TYR L 1 232 ? 30.728 144.191 107.127 1.00 22.99 ? ? ? ? ? ? 231 TYR L CA 1 +ATOM 23655 C C . TYR L 1 232 ? 31.927 143.268 106.850 1.00 22.43 ? ? ? ? ? ? 231 TYR L C 1 +ATOM 23656 O O . TYR L 1 232 ? 32.575 142.784 107.799 1.00 24.64 ? ? ? ? ? ? 231 TYR L O 1 +ATOM 23657 C CB . TYR L 1 232 ? 29.423 143.382 107.033 1.00 22.69 ? ? ? ? ? ? 231 TYR L CB 1 +ATOM 23658 C CG . TYR L 1 232 ? 29.241 142.237 108.019 1.00 26.11 ? ? ? ? ? ? 231 TYR L CG 1 +ATOM 23659 C CD1 . TYR L 1 232 ? 29.367 142.438 109.392 1.00 24.15 ? ? ? ? ? ? 231 TYR L CD1 1 +ATOM 23660 C CD2 . TYR L 1 232 ? 28.873 140.954 107.568 1.00 22.01 ? ? ? ? ? ? 231 TYR L CD2 1 +ATOM 23661 C CE1 . TYR L 1 232 ? 29.149 141.393 110.295 1.00 23.07 ? ? ? ? ? ? 231 TYR L CE1 1 +ATOM 23662 C CE2 . TYR L 1 232 ? 28.694 139.910 108.450 1.00 18.97 ? ? ? ? ? ? 231 TYR L CE2 1 +ATOM 23663 C CZ . TYR L 1 232 ? 28.823 140.142 109.809 1.00 19.77 ? ? ? ? ? ? 231 TYR L CZ 1 +ATOM 23664 O OH . TYR L 1 232 ? 28.654 139.118 110.668 1.00 23.53 ? ? ? ? ? ? 231 TYR L OH 1 +ATOM 23665 N N . VAL L 1 233 ? 32.217 143.005 105.573 1.00 22.80 ? ? ? ? ? ? 232 VAL L N 1 +ATOM 23666 C CA . VAL L 1 233 ? 33.309 142.096 105.239 1.00 22.49 ? ? ? ? ? ? 232 VAL L CA 1 +ATOM 23667 C C . VAL L 1 233 ? 34.678 142.659 105.548 1.00 23.68 ? ? ? ? ? ? 232 VAL L C 1 +ATOM 23668 O O . VAL L 1 233 ? 35.608 141.859 105.633 1.00 23.61 ? ? ? ? ? ? 232 VAL L O 1 +ATOM 23669 C CB . VAL L 1 233 ? 33.321 141.593 103.754 1.00 24.35 ? ? ? ? ? ? 232 VAL L CB 1 +ATOM 23670 C CG1 . VAL L 1 233 ? 31.983 140.942 103.388 1.00 23.29 ? ? ? ? ? ? 232 VAL L CG1 1 +ATOM 23671 C CG2 . VAL L 1 233 ? 33.683 142.708 102.802 1.00 23.00 ? ? ? ? ? ? 232 VAL L CG2 1 +ATOM 23672 N N . LYS L 1 234 ? 34.828 143.986 105.734 1.00 23.75 ? ? ? ? ? ? 233 LYS L N 1 +ATOM 23673 C CA . LYS L 1 234 ? 36.185 144.545 105.996 1.00 25.71 ? ? ? ? ? ? 233 LYS L CA 1 +ATOM 23674 C C . LYS L 1 234 ? 36.842 144.029 107.291 1.00 22.58 ? ? ? ? ? ? 233 LYS L C 1 +ATOM 23675 O O . LYS L 1 234 ? 37.996 143.567 107.266 1.00 23.44 ? ? ? ? ? ? 233 LYS L O 1 +ATOM 23676 C CB . LYS L 1 234 ? 36.230 146.094 105.962 1.00 27.55 ? ? ? ? ? ? 233 LYS L CB 1 +ATOM 23677 C CG . LYS L 1 234 ? 36.013 146.723 104.573 1.00 41.40 ? ? ? ? ? ? 233 LYS L CG 1 +ATOM 23678 C CD . LYS L 1 234 ? 36.876 146.084 103.424 1.00 54.16 ? ? ? ? ? ? 233 LYS L CD 1 +ATOM 23679 C CE . LYS L 1 234 ? 36.338 146.401 102.005 1.00 52.74 ? ? ? ? ? ? 233 LYS L CE 1 +ATOM 23680 N NZ . LYS L 1 234 ? 35.247 145.472 101.568 1.00 44.47 ? ? ? ? ? ? 233 LYS L NZ 1 +ATOM 23681 N N . PRO L 1 235 ? 36.129 144.141 108.431 1.00 22.10 ? ? ? ? ? ? 234 PRO L N 1 +ATOM 23682 C CA . PRO L 1 235 ? 36.690 143.582 109.670 1.00 22.27 ? ? ? ? ? ? 234 PRO L CA 1 +ATOM 23683 C C . PRO L 1 235 ? 36.854 142.052 109.646 1.00 21.09 ? ? ? ? ? ? 234 PRO L C 1 +ATOM 23684 O O . PRO L 1 235 ? 37.790 141.550 110.281 1.00 20.83 ? ? ? ? ? ? 234 PRO L O 1 +ATOM 23685 C CB . PRO L 1 235 ? 35.686 144.008 110.736 1.00 23.73 ? ? ? ? ? ? 234 PRO L CB 1 +ATOM 23686 C CG . PRO L 1 235 ? 34.398 144.287 109.969 1.00 23.12 ? ? ? ? ? ? 234 PRO L CG 1 +ATOM 23687 C CD . PRO L 1 235 ? 34.858 144.850 108.676 1.00 22.06 ? ? ? ? ? ? 234 PRO L CD 1 +ATOM 23688 N N . ILE L 1 236 ? 35.972 141.352 108.916 1.00 21.68 ? ? ? ? ? ? 235 ILE L N 1 +ATOM 23689 C CA . ILE L 1 236 ? 36.004 139.874 108.780 1.00 20.72 ? ? ? ? ? ? 235 ILE L CA 1 +ATOM 23690 C C . ILE L 1 236 ? 37.256 139.490 108.041 1.00 20.77 ? ? ? ? ? ? 235 ILE L C 1 +ATOM 23691 O O . ILE L 1 236 ? 38.046 138.714 108.514 1.00 22.70 ? ? ? ? ? ? 235 ILE L O 1 +ATOM 23692 C CB . ILE L 1 236 ? 34.770 139.315 108.005 1.00 23.10 ? ? ? ? ? ? 235 ILE L CB 1 +ATOM 23693 C CG1 . ILE L 1 236 ? 33.474 139.589 108.780 1.00 23.35 ? ? ? ? ? ? 235 ILE L CG1 1 +ATOM 23694 C CG2 . ILE L 1 236 ? 34.889 137.792 107.793 1.00 21.45 ? ? ? ? ? ? 235 ILE L CG2 1 +ATOM 23695 C CD1 . ILE L 1 236 ? 32.192 139.470 107.943 1.00 21.09 ? ? ? ? ? ? 235 ILE L CD1 1 +ATOM 23696 N N . VAL L 1 237 ? 37.464 140.101 106.890 1.00 20.58 ? ? ? ? ? ? 236 VAL L N 1 +ATOM 23697 C CA . VAL L 1 237 ? 38.676 139.918 106.124 1.00 20.26 ? ? ? ? ? ? 236 VAL L CA 1 +ATOM 23698 C C . VAL L 1 237 ? 39.916 140.238 106.937 1.00 21.75 ? ? ? ? ? ? 236 VAL L C 1 +ATOM 23699 O O . VAL L 1 237 ? 40.900 139.499 106.874 1.00 22.18 ? ? ? ? ? ? 236 VAL L O 1 +ATOM 23700 C CB . VAL L 1 237 ? 38.625 140.742 104.811 1.00 22.88 ? ? ? ? ? ? 236 VAL L CB 1 +ATOM 23701 C CG1 . VAL L 1 237 ? 40.013 140.911 104.183 1.00 18.34 ? ? ? ? ? ? 236 VAL L CG1 1 +ATOM 23702 C CG2 . VAL L 1 237 ? 37.694 140.096 103.869 1.00 16.96 ? ? ? ? ? ? 236 VAL L CG2 1 +ATOM 23703 N N . GLU L 1 238 ? 39.881 141.314 107.728 1.00 23.22 ? ? ? ? ? ? 237 GLU L N 1 +ATOM 23704 C CA . GLU L 1 238 ? 41.054 141.691 108.552 1.00 23.14 ? ? ? ? ? ? 237 GLU L CA 1 +ATOM 23705 C C . GLU L 1 238 ? 41.337 140.704 109.684 1.00 21.52 ? ? ? ? ? ? 237 GLU L C 1 +ATOM 23706 O O . GLU L 1 238 ? 42.466 140.349 109.916 1.00 22.02 ? ? ? ? ? ? 237 GLU L O 1 +ATOM 23707 C CB . GLU L 1 238 ? 40.879 143.119 109.083 1.00 26.01 ? ? ? ? ? ? 237 GLU L CB 1 +ATOM 23708 C CG . GLU L 1 238 ? 42.187 143.788 109.542 1.00 33.40 ? ? ? ? ? ? 237 GLU L CG 1 +ATOM 23709 C CD . GLU L 1 238 ? 42.713 143.272 110.898 1.00 38.82 ? ? ? ? ? ? 237 GLU L CD 1 +ATOM 23710 O OE1 . GLU L 1 238 ? 41.903 142.947 111.820 1.00 45.54 ? ? ? ? ? ? 237 GLU L OE1 1 +ATOM 23711 O OE2 . GLU L 1 238 ? 43.956 143.193 111.039 1.00 40.68 ? ? ? ? ? ? 237 GLU L OE2 1 +ATOM 23712 N N . LYS L 1 239 ? 40.307 140.248 110.381 1.00 22.01 ? ? ? ? ? ? 238 LYS L N 1 +ATOM 23713 C CA . LYS L 1 239 ? 40.454 139.236 111.428 1.00 23.29 ? ? ? ? ? ? 238 LYS L CA 1 +ATOM 23714 C C . LYS L 1 239 ? 40.977 137.896 110.914 1.00 22.39 ? ? ? ? ? ? 238 LYS L C 1 +ATOM 23715 O O . LYS L 1 239 ? 41.879 137.313 111.506 1.00 22.23 ? ? ? ? ? ? 238 LYS L O 1 +ATOM 23716 C CB . LYS L 1 239 ? 39.140 139.018 112.180 1.00 24.90 ? ? ? ? ? ? 238 LYS L CB 1 +ATOM 23717 C CG . LYS L 1 239 ? 38.950 139.984 113.323 1.00 30.85 ? ? ? ? ? ? 238 LYS L CG 1 +ATOM 23718 C CD . LYS L 1 239 ? 37.710 139.678 114.116 1.00 35.41 ? ? ? ? ? ? 238 LYS L CD 1 +ATOM 23719 C CE . LYS L 1 239 ? 37.306 140.839 115.041 1.00 45.91 ? ? ? ? ? ? 238 LYS L CE 1 +ATOM 23720 N NZ . LYS L 1 239 ? 38.361 141.104 116.076 1.00 47.33 ? ? ? ? ? ? 238 LYS L NZ 1 +ATOM 23721 N N . LEU L 1 240 ? 40.439 137.427 109.792 1.00 22.43 ? ? ? ? ? ? 239 LEU L N 1 +ATOM 23722 C CA . LEU L 1 240 ? 40.929 136.194 109.180 1.00 21.01 ? ? ? ? ? ? 239 LEU L CA 1 +ATOM 23723 C C . LEU L 1 240 ? 42.373 136.313 108.692 1.00 21.08 ? ? ? ? ? ? 239 LEU L C 1 +ATOM 23724 O O . LEU L 1 240 ? 43.166 135.397 108.912 1.00 20.37 ? ? ? ? ? ? 239 LEU L O 1 +ATOM 23725 C CB . LEU L 1 240 ? 40.007 135.736 108.040 1.00 20.31 ? ? ? ? ? ? 239 LEU L CB 1 +ATOM 23726 C CG . LEU L 1 240 ? 38.606 135.311 108.496 1.00 19.57 ? ? ? ? ? ? 239 LEU L CG 1 +ATOM 23727 C CD1 . LEU L 1 240 ? 37.702 135.169 107.291 1.00 18.73 ? ? ? ? ? ? 239 LEU L CD1 1 +ATOM 23728 C CD2 . LEU L 1 240 ? 38.646 134.000 109.279 1.00 19.73 ? ? ? ? ? ? 239 LEU L CD2 1 +ATOM 23729 N N . ALA L 1 241 ? 42.723 137.414 108.013 1.00 21.44 ? ? ? ? ? ? 240 ALA L N 1 +ATOM 23730 C CA . ALA L 1 241 ? 44.128 137.634 107.622 1.00 20.69 ? ? ? ? ? ? 240 ALA L CA 1 +ATOM 23731 C C . ALA L 1 241 ? 45.064 137.522 108.838 1.00 20.39 ? ? ? ? ? ? 240 ALA L C 1 +ATOM 23732 O O . ALA L 1 241 ? 46.117 136.878 108.782 1.00 22.53 ? ? ? ? ? ? 240 ALA L O 1 +ATOM 23733 C CB . ALA L 1 241 ? 44.312 139.009 106.902 1.00 18.40 ? ? ? ? ? ? 240 ALA L CB 1 +ATOM 23734 N N . GLY L 1 242 ? 44.693 138.162 109.938 1.00 21.13 ? ? ? ? ? ? 241 GLY L N 1 +ATOM 23735 C CA . GLY L 1 242 ? 45.474 138.047 111.185 1.00 21.19 ? ? ? ? ? ? 241 GLY L CA 1 +ATOM 23736 C C . GLY L 1 242 ? 45.640 136.618 111.671 1.00 21.92 ? ? ? ? ? ? 241 GLY L C 1 +ATOM 23737 O O . GLY L 1 242 ? 46.744 136.219 112.074 1.00 21.88 ? ? ? ? ? ? 241 GLY L O 1 +ATOM 23738 N N . LEU L 1 243 ? 44.553 135.841 111.631 1.00 21.41 ? ? ? ? ? ? 242 LEU L N 1 +ATOM 23739 C CA . LEU L 1 243 ? 44.590 134.396 111.965 1.00 21.15 ? ? ? ? ? ? 242 LEU L CA 1 +ATOM 23740 C C . LEU L 1 243 ? 45.525 133.618 111.070 1.00 21.53 ? ? ? ? ? ? 242 LEU L C 1 +ATOM 23741 O O . LEU L 1 243 ? 46.310 132.793 111.554 1.00 21.42 ? ? ? ? ? ? 242 LEU L O 1 +ATOM 23742 C CB . LEU L 1 243 ? 43.177 133.752 111.899 1.00 21.92 ? ? ? ? ? ? 242 LEU L CB 1 +ATOM 23743 C CG . LEU L 1 243 ? 43.007 132.215 112.009 1.00 21.62 ? ? ? ? ? ? 242 LEU L CG 1 +ATOM 23744 C CD1 . LEU L 1 243 ? 43.506 131.639 113.376 1.00 20.07 ? ? ? ? ? ? 242 LEU L CD1 1 +ATOM 23745 C CD2 . LEU L 1 243 ? 41.541 131.833 111.814 1.00 19.05 ? ? ? ? ? ? 242 LEU L CD2 1 +ATOM 23746 N N . PHE L 1 244 ? 45.435 133.865 109.770 1.00 22.25 ? ? ? ? ? ? 243 PHE L N 1 +ATOM 23747 C CA . PHE L 1 244 ? 46.307 133.202 108.799 1.00 23.48 ? ? ? ? ? ? 243 PHE L CA 1 +ATOM 23748 C C . PHE L 1 244 ? 47.768 133.466 109.128 1.00 24.09 ? ? ? ? ? ? 243 PHE L C 1 +ATOM 23749 O O . PHE L 1 244 ? 48.583 132.540 109.102 1.00 24.99 ? ? ? ? ? ? 243 PHE L O 1 +ATOM 23750 C CB . PHE L 1 244 ? 46.064 133.672 107.350 1.00 23.01 ? ? ? ? ? ? 243 PHE L CB 1 +ATOM 23751 C CG . PHE L 1 244 ? 44.678 133.418 106.816 1.00 22.34 ? ? ? ? ? ? 243 PHE L CG 1 +ATOM 23752 C CD1 . PHE L 1 244 ? 43.722 132.720 107.538 1.00 25.72 ? ? ? ? ? ? 243 PHE L CD1 1 +ATOM 23753 C CD2 . PHE L 1 244 ? 44.339 133.904 105.553 1.00 24.49 ? ? ? ? ? ? 243 PHE L CD2 1 +ATOM 23754 C CE1 . PHE L 1 244 ? 42.441 132.523 107.022 1.00 24.05 ? ? ? ? ? ? 243 PHE L CE1 1 +ATOM 23755 C CE2 . PHE L 1 244 ? 43.075 133.695 105.019 1.00 23.60 ? ? ? ? ? ? 243 PHE L CE2 1 +ATOM 23756 C CZ . PHE L 1 244 ? 42.117 133.005 105.774 1.00 25.42 ? ? ? ? ? ? 243 PHE L CZ 1 +ATOM 23757 N N . GLU L 1 245 ? 48.090 134.745 109.374 1.00 24.23 ? ? ? ? ? ? 244 GLU L N 1 +ATOM 23758 C CA . GLU L 1 245 ? 49.443 135.190 109.728 1.00 24.46 ? ? ? ? ? ? 244 GLU L CA 1 +ATOM 23759 C C . GLU L 1 245 ? 49.942 134.485 111.001 1.00 24.17 ? ? ? ? ? ? 244 GLU L C 1 +ATOM 23760 O O . GLU L 1 245 ? 51.014 133.889 111.015 1.00 25.68 ? ? ? ? ? ? 244 GLU L O 1 +ATOM 23761 C CB . GLU L 1 245 ? 49.450 136.712 109.930 1.00 25.10 ? ? ? ? ? ? 244 GLU L CB 1 +ATOM 23762 C CG . GLU L 1 245 ? 49.218 137.499 108.633 1.00 29.75 ? ? ? ? ? ? 244 GLU L CG 1 +ATOM 23763 C CD . GLU L 1 245 ? 48.958 139.001 108.824 1.00 29.75 ? ? ? ? ? ? 244 GLU L CD 1 +ATOM 23764 O OE1 . GLU L 1 245 ? 48.653 139.443 109.955 1.00 32.14 ? ? ? ? ? ? 244 GLU L OE1 1 +ATOM 23765 O OE2 . GLU L 1 245 ? 49.078 139.742 107.813 1.00 32.27 ? ? ? ? ? ? 244 GLU L OE2 1 +ATOM 23766 N N . GLU L 1 246 ? 49.144 134.535 112.058 1.00 24.69 ? ? ? ? ? ? 245 GLU L N 1 +ATOM 23767 C CA . GLU L 1 246 ? 49.465 133.858 113.328 1.00 25.42 ? ? ? ? ? ? 245 GLU L CA 1 +ATOM 23768 C C . GLU L 1 246 ? 49.626 132.336 113.207 1.00 26.11 ? ? ? ? ? ? 245 GLU L C 1 +ATOM 23769 O O . GLU L 1 246 ? 50.544 131.771 113.817 1.00 27.12 ? ? ? ? ? ? 245 GLU L O 1 +ATOM 23770 C CB . GLU L 1 246 ? 48.396 134.165 114.394 1.00 25.67 ? ? ? ? ? ? 245 GLU L CB 1 +ATOM 23771 C CG . GLU L 1 246 ? 48.387 135.600 114.872 1.00 26.79 ? ? ? ? ? ? 245 GLU L CG 1 +ATOM 23772 C CD . GLU L 1 246 ? 47.058 136.040 115.493 1.00 27.77 ? ? ? ? ? ? 245 GLU L CD 1 +ATOM 23773 O OE1 . GLU L 1 246 ? 46.095 135.227 115.591 1.00 30.47 ? ? ? ? ? ? 245 GLU L OE1 1 +ATOM 23774 O OE2 . GLU L 1 246 ? 46.980 137.224 115.878 1.00 32.36 ? ? ? ? ? ? 245 GLU L OE2 1 +ATOM 23775 N N . MSE L 1 247 ? 48.753 131.682 112.429 1.00 25.84 ? ? ? ? ? ? 246 MSE L N 1 +ATOM 23776 C CA . MSE L 1 247 ? 48.887 130.252 112.106 1.00 26.11 ? ? ? ? ? ? 246 MSE L CA 1 +ATOM 23777 C C . MSE L 1 247 ? 50.191 129.922 111.389 1.00 28.53 ? ? ? ? ? ? 246 MSE L C 1 +ATOM 23778 O O . MSE L 1 247 ? 50.825 128.883 111.663 1.00 28.74 ? ? ? ? ? ? 246 MSE L O 1 +ATOM 23779 C CB . MSE L 1 247 ? 47.719 129.773 111.238 1.00 25.54 ? ? ? ? ? ? 246 MSE L CB 1 +ATOM 23780 C CG . MSE L 1 247 ? 46.449 129.538 112.023 1.00 28.13 ? ? ? ? ? ? 246 MSE L CG 1 +ATOM 23781 SE SE . MSE L 1 247 ? 44.877 129.027 110.925 0.75 25.94 ? ? ? ? ? ? 246 MSE L SE 1 +ATOM 23782 C CE . MSE L 1 247 ? 45.377 127.112 110.630 1.00 22.76 ? ? ? ? ? ? 246 MSE L CE 1 +ATOM 23783 N N . ALA L 1 248 ? 50.580 130.820 110.475 1.00 29.77 ? ? ? ? ? ? 247 ALA L N 1 +ATOM 23784 C CA . ALA L 1 248 ? 51.839 130.732 109.754 1.00 30.71 ? ? ? ? ? ? 247 ALA L CA 1 +ATOM 23785 C C . ALA L 1 248 ? 53.075 130.977 110.662 1.00 31.06 ? ? ? ? ? ? 247 ALA L C 1 +ATOM 23786 O O . ALA L 1 248 ? 54.124 130.337 110.492 1.00 31.73 ? ? ? ? ? ? 247 ALA L O 1 +ATOM 23787 C CB . ALA L 1 248 ? 51.834 131.729 108.615 1.00 27.89 ? ? ? ? ? ? 247 ALA L CB 1 +ATOM 23788 N N . GLN L 1 249 ? 52.956 131.902 111.608 1.00 30.52 ? ? ? ? ? ? 248 GLN L N 1 +ATOM 23789 C CA . GLN L 1 249 ? 54.119 132.354 112.370 1.00 33.46 ? ? ? ? ? ? 248 GLN L CA 1 +ATOM 23790 C C . GLN L 1 249 ? 54.274 131.796 113.802 1.00 33.63 ? ? ? ? ? ? 248 GLN L C 1 +ATOM 23791 O O . GLN L 1 249 ? 55.297 132.049 114.440 1.00 34.62 ? ? ? ? ? ? 248 GLN L O 1 +ATOM 23792 C CB . GLN L 1 249 ? 54.126 133.894 112.408 1.00 33.89 ? ? ? ? ? ? 248 GLN L CB 1 +ATOM 23793 C CG . GLN L 1 249 ? 54.360 134.514 111.022 1.00 36.86 ? ? ? ? ? ? 248 GLN L CG 1 +ATOM 23794 C CD . GLN L 1 249 ? 53.991 135.992 110.939 1.00 38.23 ? ? ? ? ? ? 248 GLN L CD 1 +ATOM 23795 O OE1 . GLN L 1 249 ? 53.390 136.571 111.862 1.00 45.96 ? ? ? ? ? ? 248 GLN L OE1 1 +ATOM 23796 N NE2 . GLN L 1 249 ? 54.347 136.610 109.824 1.00 41.96 ? ? ? ? ? ? 248 GLN L NE2 1 +ATOM 23797 N N . HIS L 1 250 ? 53.274 131.065 114.307 1.00 33.24 ? ? ? ? ? ? 249 HIS L N 1 +ATOM 23798 C CA . HIS L 1 250 ? 53.327 130.471 115.657 1.00 32.97 ? ? ? ? ? ? 249 HIS L CA 1 +ATOM 23799 C C . HIS L 1 250 ? 52.894 129.019 115.687 1.00 32.34 ? ? ? ? ? ? 249 HIS L C 1 +ATOM 23800 O O . HIS L 1 250 ? 52.022 128.618 114.950 1.00 33.24 ? ? ? ? ? ? 249 HIS L O 1 +ATOM 23801 C CB . HIS L 1 250 ? 52.398 131.220 116.621 1.00 33.07 ? ? ? ? ? ? 249 HIS L CB 1 +ATOM 23802 C CG . HIS L 1 250 ? 52.823 132.624 116.894 1.00 36.31 ? ? ? ? ? ? 249 HIS L CG 1 +ATOM 23803 N ND1 . HIS L 1 250 ? 53.493 132.985 118.044 1.00 40.37 ? ? ? ? ? ? 249 HIS L ND1 1 +ATOM 23804 C CD2 . HIS L 1 250 ? 52.698 133.753 116.155 1.00 37.70 ? ? ? ? ? ? 249 HIS L CD2 1 +ATOM 23805 C CE1 . HIS L 1 250 ? 53.753 134.282 118.003 1.00 42.57 ? ? ? ? ? ? 249 HIS L CE1 1 +ATOM 23806 N NE2 . HIS L 1 250 ? 53.289 134.768 116.865 1.00 38.40 ? ? ? ? ? ? 249 HIS L NE2 1 +ATOM 23807 N N . ASP L 1 251 ? 53.492 128.247 116.572 1.00 31.92 ? ? ? ? ? ? 250 ASP L N 1 +ATOM 23808 C CA . ASP L 1 251 ? 52.990 126.925 116.903 1.00 31.47 ? ? ? ? ? ? 250 ASP L CA 1 +ATOM 23809 C C . ASP L 1 251 ? 51.738 127.074 117.767 1.00 28.41 ? ? ? ? ? ? 250 ASP L C 1 +ATOM 23810 O O . ASP L 1 251 ? 51.520 128.106 118.400 1.00 27.46 ? ? ? ? ? ? 250 ASP L O 1 +ATOM 23811 C CB . ASP L 1 251 ? 54.079 126.098 117.616 1.00 33.04 ? ? ? ? ? ? 250 ASP L CB 1 +ATOM 23812 C CG . ASP L 1 251 ? 55.417 126.112 116.843 1.00 43.59 ? ? ? ? ? ? 250 ASP L CG 1 +ATOM 23813 O OD1 . ASP L 1 251 ? 55.369 126.504 115.637 1.00 48.18 ? ? ? ? ? ? 250 ASP L OD1 1 +ATOM 23814 O OD2 . ASP L 1 251 ? 56.502 125.756 117.408 1.00 51.47 ? ? ? ? ? ? 250 ASP L OD2 1 +ATOM 23815 N N . LEU L 1 252 ? 50.904 126.044 117.784 1.00 26.55 ? ? ? ? ? ? 251 LEU L N 1 +ATOM 23816 C CA . LEU L 1 252 ? 49.667 126.079 118.558 1.00 26.05 ? ? ? ? ? ? 251 LEU L CA 1 +ATOM 23817 C C . LEU L 1 252 ? 49.918 126.492 120.008 1.00 26.02 ? ? ? ? ? ? 251 LEU L C 1 +ATOM 23818 O O . LEU L 1 252 ? 49.197 127.323 120.567 1.00 24.48 ? ? ? ? ? ? 251 LEU L O 1 +ATOM 23819 C CB . LEU L 1 252 ? 48.994 124.714 118.517 1.00 27.37 ? ? ? ? ? ? 251 LEU L CB 1 +ATOM 23820 C CG . LEU L 1 252 ? 47.544 124.609 119.018 1.00 25.90 ? ? ? ? ? ? 251 LEU L CG 1 +ATOM 23821 C CD1 . LEU L 1 252 ? 46.628 125.521 118.240 1.00 25.48 ? ? ? ? ? ? 251 LEU L CD1 1 +ATOM 23822 C CD2 . LEU L 1 252 ? 47.091 123.158 118.899 1.00 24.60 ? ? ? ? ? ? 251 LEU L CD2 1 +ATOM 23823 N N . TYR L 1 253 ? 50.968 125.910 120.586 1.00 27.45 ? ? ? ? ? ? 252 TYR L N 1 +ATOM 23824 C CA . TYR L 1 253 ? 51.408 126.183 121.945 1.00 28.33 ? ? ? ? ? ? 252 TYR L CA 1 +ATOM 23825 C C . TYR L 1 253 ? 52.916 126.476 121.926 1.00 31.58 ? ? ? ? ? ? 252 TYR L C 1 +ATOM 23826 O O . TYR L 1 253 ? 53.675 125.832 121.190 1.00 31.87 ? ? ? ? ? ? 252 TYR L O 1 +ATOM 23827 C CB . TYR L 1 253 ? 51.123 124.969 122.832 1.00 27.33 ? ? ? ? ? ? 252 TYR L CB 1 +ATOM 23828 C CG . TYR L 1 253 ? 49.658 124.740 123.176 1.00 25.85 ? ? ? ? ? ? 252 TYR L CG 1 +ATOM 23829 C CD1 . TYR L 1 253 ? 49.078 125.356 124.285 1.00 24.67 ? ? ? ? ? ? 252 TYR L CD1 1 +ATOM 23830 C CD2 . TYR L 1 253 ? 48.869 123.866 122.426 1.00 22.37 ? ? ? ? ? ? 252 TYR L CD2 1 +ATOM 23831 C CE1 . TYR L 1 253 ? 47.737 125.143 124.617 1.00 25.80 ? ? ? ? ? ? 252 TYR L CE1 1 +ATOM 23832 C CE2 . TYR L 1 253 ? 47.522 123.634 122.756 1.00 21.73 ? ? ? ? ? ? 252 TYR L CE2 1 +ATOM 23833 C CZ . TYR L 1 253 ? 46.954 124.260 123.845 1.00 24.61 ? ? ? ? ? ? 252 TYR L CZ 1 +ATOM 23834 O OH . TYR L 1 253 ? 45.609 124.053 124.168 1.00 23.98 ? ? ? ? ? ? 252 TYR L OH 1 +ATOM 23835 N N . GLU L 1 254 ? 53.359 127.445 122.716 1.00 36.55 ? ? ? ? ? ? 253 GLU L N 1 +ATOM 23836 C CA . GLU L 1 254 ? 54.789 127.825 122.730 1.00 42.52 ? ? ? ? ? ? 253 GLU L CA 1 +ATOM 23837 C C . GLU L 1 254 ? 55.412 127.878 124.147 1.00 44.70 ? ? ? ? ? ? 253 GLU L C 1 +ATOM 23838 O O . GLU L 1 254 ? 54.805 128.345 125.124 1.00 46.34 ? ? ? ? ? ? 253 GLU L O 1 +ATOM 23839 C CB . GLU L 1 254 ? 54.993 129.152 121.971 1.00 42.55 ? ? ? ? ? ? 253 GLU L CB 1 +ATOM 23840 C CG . GLU L 1 254 ? 54.842 128.973 120.427 1.00 43.90 ? ? ? ? ? ? 253 GLU L CG 1 +ATOM 23841 C CD . GLU L 1 254 ? 55.218 130.201 119.597 1.00 44.04 ? ? ? ? ? ? 253 GLU L CD 1 +ATOM 23842 O OE1 . GLU L 1 254 ? 55.179 131.348 120.122 1.00 41.67 ? ? ? ? ? ? 253 GLU L OE1 1 +ATOM 23843 O OE2 . GLU L 1 254 ? 55.550 129.997 118.402 1.00 47.13 ? ? ? ? ? ? 253 GLU L OE2 1 +ATOM 23844 O OXT . GLU L 1 254 ? 56.551 127.421 124.352 1.00 49.26 ? ? ? ? ? ? 253 GLU L OXT 1 +HETATM 23845 ZN ZN . ZN M 2 . ? 33.961 49.979 148.694 1.00 40.03 ? ? ? ? ? ? 301 ZN A ZN 1 +HETATM 23846 ZN ZN . ZN N 2 . ? 33.521 53.170 149.666 1.00 23.16 ? ? ? ? ? ? 302 ZN A ZN 1 +HETATM 23847 CA CA . CA O 3 . ? 13.211 62.265 138.112 1.00 77.31 ? ? ? ? ? ? 254 CA A CA 1 +HETATM 23848 CL CL . CL P 4 . ? 38.464 46.317 140.435 1.00 47.07 ? ? ? ? ? ? 255 CL A CL 1 +HETATM 23849 ZN ZN . ZN Q 2 . ? 15.554 38.384 169.518 1.00 39.67 ? ? ? ? ? ? 301 ZN B ZN 1 +HETATM 23850 ZN ZN . ZN R 2 . ? 15.621 41.056 171.705 1.00 20.20 ? ? ? ? ? ? 302 ZN B ZN 1 +HETATM 23851 C C1 . EDO S 5 . ? 31.095 42.510 159.270 1.00 27.71 ? ? ? ? ? ? 254 EDO B C1 1 +HETATM 23852 O O1 . EDO S 5 . ? 30.669 43.864 159.124 1.00 34.08 ? ? ? ? ? ? 254 EDO B O1 1 +HETATM 23853 C C2 . EDO S 5 . ? 30.258 41.892 160.380 1.00 25.59 ? ? ? ? ? ? 254 EDO B C2 1 +HETATM 23854 O O2 . EDO S 5 . ? 30.874 42.149 161.640 1.00 31.34 ? ? ? ? ? ? 254 EDO B O2 1 +HETATM 23855 CL CL . CL T 4 . ? 11.076 29.317 171.055 1.00 38.70 ? ? ? ? ? ? 255 CL B CL 1 +HETATM 23856 ZN ZN . ZN U 2 . ? 27.774 11.413 172.410 1.00 32.10 ? ? ? ? ? ? 301 ZN C ZN 1 +HETATM 23857 ZN ZN . ZN V 2 . ? 26.839 8.971 174.591 1.00 17.42 ? ? ? ? ? ? 302 ZN C ZN 1 +HETATM 23858 CA CA . CA W 3 . ? 2.903 13.501 181.499 1.00 47.75 ? ? ? ? ? ? 254 CA C CA 1 +HETATM 23859 C C1 . EDO X 5 . ? 40.789 16.355 163.771 1.00 21.93 ? ? ? ? ? ? 255 EDO C C1 1 +HETATM 23860 O O1 . EDO X 5 . ? 41.762 17.082 163.020 1.00 30.98 ? ? ? ? ? ? 255 EDO C O1 1 +HETATM 23861 C C2 . EDO X 5 . ? 40.990 16.499 165.258 1.00 33.31 ? ? ? ? ? ? 255 EDO C C2 1 +HETATM 23862 O O2 . EDO X 5 . ? 40.131 15.574 165.936 1.00 26.28 ? ? ? ? ? ? 255 EDO C O2 1 +HETATM 23863 C C1 . EDO Y 5 . ? 16.723 6.947 159.501 1.00 27.00 ? ? ? ? ? ? 256 EDO C C1 1 +HETATM 23864 O O1 . EDO Y 5 . ? 15.447 7.002 160.151 1.00 34.81 ? ? ? ? ? ? 256 EDO C O1 1 +HETATM 23865 C C2 . EDO Y 5 . ? 16.867 5.565 158.871 1.00 33.39 ? ? ? ? ? ? 256 EDO C C2 1 +HETATM 23866 O O2 . EDO Y 5 . ? 15.860 5.337 157.903 1.00 34.81 ? ? ? ? ? ? 256 EDO C O2 1 +HETATM 23867 CL CL . CL Z 4 . ? 31.559 20.424 174.593 1.00 38.18 ? ? ? ? ? ? 257 CL C CL 1 +HETATM 23868 ZN ZN . ZN AA 2 . ? 16.678 -2.196 147.887 1.00 28.78 ? ? ? ? ? ? 301 ZN D ZN 1 +HETATM 23869 ZN ZN . ZN BA 2 . ? 16.702 -5.297 149.176 1.00 18.42 ? ? ? ? ? ? 302 ZN D ZN 1 +HETATM 23870 CA CA . CA CA 3 . ? -0.895 0.911 142.461 1.00 39.80 ? ? ? ? ? ? 254 CA D CA 1 +HETATM 23871 CA CA . CA DA 3 . ? 39.696 -14.474 145.245 1.00 46.31 ? ? ? ? ? ? 255 CA D CA 1 +HETATM 23872 C C1 . EDO EA 5 . ? 40.466 15.109 156.222 1.00 45.50 ? ? ? ? ? ? 256 EDO D C1 1 +HETATM 23873 O O1 . EDO EA 5 . ? 39.694 16.221 155.709 1.00 51.77 ? ? ? ? ? ? 256 EDO D O1 1 +HETATM 23874 C C2 . EDO EA 5 . ? 41.952 15.271 155.889 1.00 46.64 ? ? ? ? ? ? 256 EDO D C2 1 +HETATM 23875 O O2 . EDO EA 5 . ? 42.803 14.341 156.595 1.00 44.88 ? ? ? ? ? ? 256 EDO D O2 1 +HETATM 23876 C C1 . EDO FA 5 . ? 6.043 10.673 145.604 1.00 40.96 ? ? ? ? ? ? 257 EDO D C1 1 +HETATM 23877 O O1 . EDO FA 5 . ? 5.002 11.663 145.753 1.00 49.27 ? ? ? ? ? ? 257 EDO D O1 1 +HETATM 23878 C C2 . EDO FA 5 . ? 5.552 9.328 146.093 1.00 37.41 ? ? ? ? ? ? 257 EDO D C2 1 +HETATM 23879 O O2 . EDO FA 5 . ? 6.335 8.285 145.507 1.00 33.72 ? ? ? ? ? ? 257 EDO D O2 1 +HETATM 23880 CL CL . CL GA 4 . ? 14.567 0.832 138.406 1.00 40.72 ? ? ? ? ? ? 258 CL D CL 1 +HETATM 23881 ZN ZN . ZN HA 2 . ? 34.612 9.426 127.106 1.00 32.74 ? ? ? ? ? ? 301 ZN E ZN 1 +HETATM 23882 ZN ZN . ZN IA 2 . ? 34.675 8.804 123.777 1.00 20.32 ? ? ? ? ? ? 302 ZN E ZN 1 +HETATM 23883 CA CA . CA JA 3 . ? 52.107 6.252 132.468 1.00 66.26 ? ? ? ? ? ? 254 CA E CA 1 +HETATM 23884 CA CA . CA KA 3 . ? 11.781 -0.517 118.156 1.00 49.87 ? ? ? ? ? ? 255 CA E CA 1 +HETATM 23885 C C1 . EDO LA 5 . ? 22.470 23.739 126.427 1.00 31.49 ? ? ? ? ? ? 256 EDO E C1 1 +HETATM 23886 O O1 . EDO LA 5 . ? 22.493 24.215 125.075 1.00 38.52 ? ? ? ? ? ? 256 EDO E O1 1 +HETATM 23887 C C2 . EDO LA 5 . ? 22.809 22.254 126.415 1.00 34.92 ? ? ? ? ? ? 256 EDO E C2 1 +HETATM 23888 O O2 . EDO LA 5 . ? 21.716 21.498 125.857 1.00 36.96 ? ? ? ? ? ? 256 EDO E O2 1 +HETATM 23889 CL CL . CL MA 4 . ? 44.763 13.904 137.089 1.00 52.79 ? ? ? ? ? ? 257 CL E CL 1 +HETATM 23890 CL CL . CL NA 4 . ? 36.733 3.221 134.774 1.00 36.77 ? ? ? ? ? ? 258 CL E CL 1 +HETATM 23891 ZN ZN . ZN OA 2 . ? 22.446 36.935 124.307 1.00 34.65 ? ? ? ? ? ? 301 ZN F ZN 1 +HETATM 23892 ZN ZN . ZN PA 2 . ? 23.395 37.377 121.015 1.00 21.51 ? ? ? ? ? ? 302 ZN F ZN 1 +HETATM 23893 CA CA . CA QA 3 . ? 47.006 46.314 121.487 1.00 66.86 ? ? ? ? ? ? 254 CA F CA 1 +HETATM 23894 CL CL . CL RA 4 . ? 18.443 43.584 130.593 1.00 36.88 ? ? ? ? ? ? 255 CL F CL 1 +HETATM 23895 ZN ZN . ZN SA 2 . ? 34.102 115.871 130.010 1.00 33.68 ? ? ? ? ? ? 301 ZN G ZN 1 +HETATM 23896 ZN ZN . ZN TA 2 . ? 33.055 116.538 133.175 1.00 20.63 ? ? ? ? ? ? 302 ZN G ZN 1 +HETATM 23897 CA CA . CA UA 3 . ? 9.611 125.927 131.662 1.00 55.76 ? ? ? ? ? ? 254 CA G CA 1 +HETATM 23898 C C1 . EDO VA 5 . ? 22.300 103.116 126.532 1.00 30.26 ? ? ? ? ? ? 255 EDO G C1 1 +HETATM 23899 O O1 . EDO VA 5 . ? 21.324 103.845 127.268 1.00 40.34 ? ? ? ? ? ? 255 EDO G O1 1 +HETATM 23900 C C2 . EDO VA 5 . ? 22.659 101.892 127.341 1.00 39.96 ? ? ? ? ? ? 255 EDO G C2 1 +HETATM 23901 O O2 . EDO VA 5 . ? 21.598 100.932 127.308 1.00 32.48 ? ? ? ? ? ? 255 EDO G O2 1 +HETATM 23902 CL CL . CL WA 4 . ? 38.378 122.137 123.311 1.00 39.73 ? ? ? ? ? ? 256 CL G CL 1 +HETATM 23903 ZN ZN . ZN XA 2 . ? 21.712 88.280 128.408 1.00 35.54 ? ? ? ? ? ? 301 ZN H ZN 1 +HETATM 23904 ZN ZN . ZN YA 2 . ? 21.637 87.883 131.814 1.00 18.19 ? ? ? ? ? ? 302 ZN H ZN 1 +HETATM 23905 CL CL . CL ZA 4 . ? 19.883 81.799 121.172 1.00 37.82 ? ? ? ? ? ? 254 CL H CL 1 +HETATM 23906 ZN ZN . ZN AB 2 . ? 40.180 75.585 108.719 1.00 33.60 ? ? ? ? ? ? 301 ZN I ZN 1 +HETATM 23907 ZN ZN . ZN BB 2 . ? 40.206 72.351 107.652 1.00 20.24 ? ? ? ? ? ? 302 ZN I ZN 1 +HETATM 23908 CA CA . CA CB 3 . ? 57.657 78.778 114.137 1.00 44.58 ? ? ? ? ? ? 254 CA I CA 1 +HETATM 23909 CA CA . CA DB 3 . ? 17.194 63.311 111.985 1.00 56.02 ? ? ? ? ? ? 255 CA I CA 1 +HETATM 23910 CL CL . CL EB 4 . ? 42.127 79.153 118.113 1.00 37.74 ? ? ? ? ? ? 256 CL I CL 1 +HETATM 23911 ZN ZN . ZN FB 2 . ? 29.269 87.490 83.348 1.00 35.08 ? ? ? ? ? ? 301 ZN J ZN 1 +HETATM 23912 ZN ZN . ZN GB 2 . ? 30.238 84.892 81.307 1.00 17.89 ? ? ? ? ? ? 302 ZN J ZN 1 +HETATM 23913 CA CA . CA HB 3 . ? 54.267 89.128 74.345 1.00 47.48 ? ? ? ? ? ? 254 CA J CA 1 +HETATM 23914 C C1 . EDO IB 5 . ? 41.120 84.259 96.972 1.00 31.02 ? ? ? ? ? ? 255 EDO J C1 1 +HETATM 23915 O O1 . EDO IB 5 . ? 41.180 83.681 95.673 1.00 26.75 ? ? ? ? ? ? 255 EDO J O1 1 +HETATM 23916 C C2 . EDO IB 5 . ? 40.345 83.350 97.920 1.00 33.11 ? ? ? ? ? ? 255 EDO J C2 1 +HETATM 23917 O O2 . EDO IB 5 . ? 40.651 81.980 97.665 1.00 33.97 ? ? ? ? ? ? 255 EDO J O2 1 +HETATM 23918 CL CL . CL JB 4 . ? 25.561 96.549 80.553 1.00 37.16 ? ? ? ? ? ? 256 CL J CL 1 +HETATM 23919 ZN ZN . ZN KB 2 . ? 41.635 114.772 84.645 1.00 38.51 ? ? ? ? ? ? 301 ZN K ZN 1 +HETATM 23920 ZN ZN . ZN LB 2 . ? 41.502 117.208 82.346 1.00 22.04 ? ? ? ? ? ? 302 ZN K ZN 1 +HETATM 23921 C C1 . EDO MB 5 . ? 26.116 119.745 94.575 1.00 29.04 ? ? ? ? ? ? 254 EDO K C1 1 +HETATM 23922 O O1 . EDO MB 5 . ? 26.673 121.060 94.546 1.00 39.38 ? ? ? ? ? ? 254 EDO K O1 1 +HETATM 23923 C C2 . EDO MB 5 . ? 26.962 118.883 93.651 1.00 30.52 ? ? ? ? ? ? 254 EDO K C2 1 +HETATM 23924 O O2 . EDO MB 5 . ? 26.392 118.900 92.355 1.00 29.24 ? ? ? ? ? ? 254 EDO K O2 1 +HETATM 23925 C C1 . EDO NB 5 . ? 51.240 109.618 96.937 1.00 36.34 ? ? ? ? ? ? 255 EDO K C1 1 +HETATM 23926 O O1 . EDO NB 5 . ? 52.307 109.390 97.860 1.00 45.19 ? ? ? ? ? ? 255 EDO K O1 1 +HETATM 23927 C C2 . EDO NB 5 . ? 51.688 109.497 95.496 1.00 37.87 ? ? ? ? ? ? 255 EDO K C2 1 +HETATM 23928 O O2 . EDO NB 5 . ? 51.955 110.812 94.995 1.00 35.91 ? ? ? ? ? ? 255 EDO K O2 1 +HETATM 23929 CL CL . CL OB 4 . ? 45.930 105.719 83.639 1.00 38.74 ? ? ? ? ? ? 256 CL K CL 1 +HETATM 23930 ZN ZN . ZN PB 2 . ? 23.202 127.517 104.640 1.00 42.54 ? ? ? ? ? ? 301 ZN L ZN 1 +HETATM 23931 ZN ZN . ZN QB 2 . ? 23.653 130.761 103.422 1.00 23.58 ? ? ? ? ? ? 302 ZN L ZN 1 +HETATM 23932 CA CA . CA RB 3 . ? 44.047 140.074 114.828 1.00 57.63 ? ? ? ? ? ? 254 CA L CA 1 +HETATM 23933 C C1 . EDO SB 5 . ? 38.056 120.613 97.486 1.00 32.37 ? ? ? ? ? ? 255 EDO L C1 1 +HETATM 23934 O O1 . EDO SB 5 . ? 38.563 121.893 97.890 1.00 26.85 ? ? ? ? ? ? 255 EDO L O1 1 +HETATM 23935 C C2 . EDO SB 5 . ? 38.911 120.069 96.341 1.00 28.01 ? ? ? ? ? ? 255 EDO L C2 1 +HETATM 23936 O O2 . EDO SB 5 . ? 38.686 120.882 95.190 1.00 34.34 ? ? ? ? ? ? 255 EDO L O2 1 +HETATM 23937 CL CL . CL TB 4 . ? 18.462 124.634 113.092 1.00 47.32 ? ? ? ? ? ? 256 CL L CL 1 +HETATM 23938 O O . HOH UB 6 . ? 32.844 43.745 153.325 1.00 15.78 ? ? ? ? ? ? 256 HOH A O 1 +HETATM 23939 O O . HOH UB 6 . ? 26.062 39.754 138.848 1.00 16.03 ? ? ? ? ? ? 257 HOH A O 1 +HETATM 23940 O O . HOH UB 6 . ? 15.666 49.553 165.042 1.00 18.43 ? ? ? ? ? ? 258 HOH A O 1 +HETATM 23941 O O . HOH UB 6 . ? 13.451 42.344 139.148 1.00 16.84 ? ? ? ? ? ? 259 HOH A O 1 +HETATM 23942 O O . HOH UB 6 . ? 12.125 38.990 142.043 1.00 19.12 ? ? ? ? ? ? 260 HOH A O 1 +HETATM 23943 O O . HOH UB 6 . ? 32.746 50.302 153.811 1.00 18.18 ? ? ? ? ? ? 261 HOH A O 1 +HETATM 23944 O O . HOH UB 6 . ? 19.570 60.840 155.998 1.00 21.57 ? ? ? ? ? ? 262 HOH A O 1 +HETATM 23945 O O . HOH UB 6 . ? 17.723 32.764 144.044 1.00 20.62 ? ? ? ? ? ? 263 HOH A O 1 +HETATM 23946 O O . HOH UB 6 . ? 15.821 36.831 135.089 1.00 22.64 ? ? ? ? ? ? 264 HOH A O 1 +HETATM 23947 O O . HOH UB 6 . ? 9.173 57.584 151.137 1.00 21.80 ? ? ? ? ? ? 265 HOH A O 1 +HETATM 23948 O O . HOH UB 6 . ? 22.381 31.177 141.637 1.00 21.39 ? ? ? ? ? ? 266 HOH A O 1 +HETATM 23949 O O . HOH UB 6 . ? 35.619 44.807 126.480 1.00 22.36 ? ? ? ? ? ? 281 HOH A O 1 +HETATM 23950 O O . HOH UB 6 . ? 25.371 31.858 144.298 1.00 21.08 ? ? ? ? ? ? 288 HOH A O 1 +HETATM 23951 O O . HOH UB 6 . ? 13.965 40.273 140.415 1.00 23.51 ? ? ? ? ? ? 336 HOH A O 1 +HETATM 23952 O O . HOH UB 6 . ? 28.839 30.699 150.790 1.00 24.15 ? ? ? ? ? ? 361 HOH A O 1 +HETATM 23953 O O . HOH UB 6 . ? 29.965 54.454 149.114 1.00 22.70 ? ? ? ? ? ? 363 HOH A O 1 +HETATM 23954 O O . HOH UB 6 . ? 31.675 40.988 142.600 1.00 20.81 ? ? ? ? ? ? 365 HOH A O 1 +HETATM 23955 O O . HOH UB 6 . ? 18.053 51.548 158.233 1.00 25.88 ? ? ? ? ? ? 375 HOH A O 1 +HETATM 23956 O O . HOH UB 6 . ? 32.305 45.076 140.435 1.00 25.27 ? ? ? ? ? ? 387 HOH A O 1 +HETATM 23957 O O . HOH UB 6 . ? 40.902 65.788 145.946 1.00 23.99 ? ? ? ? ? ? 391 HOH A O 1 +HETATM 23958 O O . HOH UB 6 . ? 23.653 31.051 148.231 1.00 22.91 ? ? ? ? ? ? 396 HOH A O 1 +HETATM 23959 O O . HOH UB 6 . ? 24.089 52.183 139.277 1.00 22.25 ? ? ? ? ? ? 399 HOH A O 1 +HETATM 23960 O O . HOH UB 6 . ? 14.489 59.936 138.968 1.00 24.44 ? ? ? ? ? ? 434 HOH A O 1 +HETATM 23961 O O . HOH UB 6 . ? 41.760 57.733 148.675 1.00 23.65 ? ? ? ? ? ? 438 HOH A O 1 +HETATM 23962 O O . HOH UB 6 . ? 36.142 49.534 146.919 1.00 22.61 ? ? ? ? ? ? 454 HOH A O 1 +HETATM 23963 O O . HOH UB 6 . ? 9.152 63.536 154.877 1.00 25.36 ? ? ? ? ? ? 457 HOH A O 1 +HETATM 23964 O O . HOH UB 6 . ? 18.615 44.737 155.978 1.00 20.76 ? ? ? ? ? ? 470 HOH A O 1 +HETATM 23965 O O . HOH UB 6 . ? 16.716 58.209 161.177 1.00 24.99 ? ? ? ? ? ? 522 HOH A O 1 +HETATM 23966 O O . HOH UB 6 . ? 24.635 45.212 140.525 1.00 24.74 ? ? ? ? ? ? 578 HOH A O 1 +HETATM 23967 O O . HOH UB 6 . ? 2.443 37.129 150.197 1.00 26.73 ? ? ? ? ? ? 579 HOH A O 1 +HETATM 23968 O O . HOH UB 6 . ? 40.007 61.416 144.627 1.00 22.66 ? ? ? ? ? ? 596 HOH A O 1 +HETATM 23969 O O . HOH UB 6 . ? 25.756 30.366 150.609 1.00 26.92 ? ? ? ? ? ? 608 HOH A O 1 +HETATM 23970 O O . HOH UB 6 . ? 22.095 67.997 149.966 1.00 27.63 ? ? ? ? ? ? 627 HOH A O 1 +HETATM 23971 O O . HOH UB 6 . ? 36.062 36.074 153.584 1.00 25.48 ? ? ? ? ? ? 630 HOH A O 1 +HETATM 23972 O O . HOH UB 6 . ? 26.954 57.542 136.169 1.00 25.31 ? ? ? ? ? ? 641 HOH A O 1 +HETATM 23973 O O . HOH UB 6 . ? 28.782 68.775 157.053 1.00 26.69 ? ? ? ? ? ? 663 HOH A O 1 +HETATM 23974 O O . HOH UB 6 . ? 5.676 44.851 141.847 1.00 27.34 ? ? ? ? ? ? 673 HOH A O 1 +HETATM 23975 O O . HOH UB 6 . ? 21.407 30.030 149.168 1.00 29.43 ? ? ? ? ? ? 674 HOH A O 1 +HETATM 23976 O O . HOH UB 6 . ? 17.204 66.422 146.659 1.00 28.06 ? ? ? ? ? ? 702 HOH A O 1 +HETATM 23977 O O . HOH UB 6 . ? 8.516 33.426 150.599 1.00 28.91 ? ? ? ? ? ? 706 HOH A O 1 +HETATM 23978 O O . HOH UB 6 . ? 11.923 60.360 135.846 1.00 28.58 ? ? ? ? ? ? 711 HOH A O 1 +HETATM 23979 O O . HOH UB 6 . ? 11.759 56.596 171.138 1.00 29.12 ? ? ? ? ? ? 715 HOH A O 1 +HETATM 23980 O O . HOH UB 6 . ? 27.966 40.642 144.315 1.00 25.57 ? ? ? ? ? ? 721 HOH A O 1 +HETATM 23981 O O . HOH UB 6 . ? 12.268 52.583 168.459 1.00 24.78 ? ? ? ? ? ? 724 HOH A O 1 +HETATM 23982 O O . HOH UB 6 . ? 29.020 47.681 140.766 1.00 26.97 ? ? ? ? ? ? 727 HOH A O 1 +HETATM 23983 O O . HOH UB 6 . ? 7.101 46.937 148.499 1.00 27.59 ? ? ? ? ? ? 738 HOH A O 1 +HETATM 23984 O O . HOH UB 6 . ? 39.556 60.128 160.195 1.00 26.18 ? ? ? ? ? ? 748 HOH A O 1 +HETATM 23985 O O . HOH UB 6 . ? 34.416 52.369 148.059 1.00 27.44 ? ? ? ? ? ? 775 HOH A O 1 +HETATM 23986 O O . HOH UB 6 . ? 33.602 73.390 148.552 1.00 28.73 ? ? ? ? ? ? 798 HOH A O 1 +HETATM 23987 O O . HOH UB 6 . ? 35.828 47.637 126.667 1.00 30.12 ? ? ? ? ? ? 802 HOH A O 1 +HETATM 23988 O O . HOH UB 6 . ? 27.159 69.899 155.283 1.00 28.56 ? ? ? ? ? ? 812 HOH A O 1 +HETATM 23989 O O . HOH UB 6 . ? 45.226 57.317 142.525 1.00 28.06 ? ? ? ? ? ? 830 HOH A O 1 +HETATM 23990 O O . HOH UB 6 . ? 11.965 47.158 128.283 1.00 25.39 ? ? ? ? ? ? 833 HOH A O 1 +HETATM 23991 O O . HOH UB 6 . ? 24.386 47.467 141.676 1.00 28.25 ? ? ? ? ? ? 853 HOH A O 1 +HETATM 23992 O O . HOH UB 6 . ? 38.648 38.888 144.852 1.00 28.95 ? ? ? ? ? ? 869 HOH A O 1 +HETATM 23993 O O . HOH UB 6 . ? 36.025 58.351 146.301 1.00 29.55 ? ? ? ? ? ? 877 HOH A O 1 +HETATM 23994 O O . HOH UB 6 . ? 44.035 64.080 142.182 1.00 41.26 ? ? ? ? ? ? 888 HOH A O 1 +HETATM 23995 O O . HOH UB 6 . ? 47.556 63.436 144.162 1.00 39.73 ? ? ? ? ? ? 889 HOH A O 1 +HETATM 23996 O O . HOH UB 6 . ? 26.068 42.281 138.380 1.00 29.23 ? ? ? ? ? ? 897 HOH A O 1 +HETATM 23997 O O . HOH UB 6 . ? 1.914 45.552 129.232 1.00 32.33 ? ? ? ? ? ? 907 HOH A O 1 +HETATM 23998 O O . HOH UB 6 . ? 6.056 33.990 149.763 1.00 28.33 ? ? ? ? ? ? 912 HOH A O 1 +HETATM 23999 O O . HOH UB 6 . ? 30.717 38.952 144.162 1.00 32.49 ? ? ? ? ? ? 918 HOH A O 1 +HETATM 24000 O O . HOH UB 6 . ? 4.973 46.508 147.475 1.00 30.94 ? ? ? ? ? ? 944 HOH A O 1 +HETATM 24001 O O . HOH UB 6 . ? 20.396 29.987 142.543 1.00 30.35 ? ? ? ? ? ? 971 HOH A O 1 +HETATM 24002 O O . HOH UB 6 . ? 33.378 28.565 148.728 1.00 30.38 ? ? ? ? ? ? 980 HOH A O 1 +HETATM 24003 O O . HOH UB 6 . ? 50.618 59.767 151.270 1.00 30.63 ? ? ? ? ? ? 992 HOH A O 1 +HETATM 24004 O O . HOH UB 6 . ? 1.885 52.419 163.009 1.00 31.82 ? ? ? ? ? ? 994 HOH A O 1 +HETATM 24005 O O . HOH UB 6 . ? 12.176 32.827 154.868 1.00 31.31 ? ? ? ? ? ? 1002 HOH A O 1 +HETATM 24006 O O . HOH UB 6 . ? 51.467 45.212 128.689 1.00 28.29 ? ? ? ? ? ? 1007 HOH A O 1 +HETATM 24007 O O . HOH UB 6 . ? 40.089 46.654 137.481 1.00 32.14 ? ? ? ? ? ? 1008 HOH A O 1 +HETATM 24008 O O . HOH UB 6 . ? 2.419 44.633 131.996 1.00 29.89 ? ? ? ? ? ? 1039 HOH A O 1 +HETATM 24009 O O . HOH UB 6 . ? 15.483 65.317 154.292 1.00 30.27 ? ? ? ? ? ? 1056 HOH A O 1 +HETATM 24010 O O . HOH UB 6 . ? 11.552 66.023 152.420 1.00 30.12 ? ? ? ? ? ? 1071 HOH A O 1 +HETATM 24011 O O . HOH UB 6 . ? 26.221 51.309 159.133 1.00 31.50 ? ? ? ? ? ? 1093 HOH A O 1 +HETATM 24012 O O . HOH UB 6 . ? 33.615 56.045 145.184 1.00 30.43 ? ? ? ? ? ? 1098 HOH A O 1 +HETATM 24013 O O . HOH UB 6 . ? 6.056 49.149 139.911 1.00 27.93 ? ? ? ? ? ? 1102 HOH A O 1 +HETATM 24014 O O . HOH UB 6 . ? 47.223 60.359 144.500 1.00 31.85 ? ? ? ? ? ? 1103 HOH A O 1 +HETATM 24015 O O . HOH UB 6 . ? 24.013 67.160 138.048 1.00 32.92 ? ? ? ? ? ? 1112 HOH A O 1 +HETATM 24016 O O . HOH UB 6 . ? 2.377 48.149 153.920 1.00 34.52 ? ? ? ? ? ? 1138 HOH A O 1 +HETATM 24017 O O . HOH UB 6 . ? 37.891 66.984 158.200 1.00 31.31 ? ? ? ? ? ? 1143 HOH A O 1 +HETATM 24018 O O . HOH UB 6 . ? 9.662 40.431 138.446 1.00 33.60 ? ? ? ? ? ? 1145 HOH A O 1 +HETATM 24019 O O . HOH UB 6 . ? 33.040 51.314 146.027 1.00 36.37 ? ? ? ? ? ? 1149 HOH A O 1 +HETATM 24020 O O . HOH UB 6 . ? 39.697 53.527 156.545 1.00 30.72 ? ? ? ? ? ? 1150 HOH A O 1 +HETATM 24021 O O . HOH UB 6 . ? 36.592 45.775 146.316 1.00 33.15 ? ? ? ? ? ? 1156 HOH A O 1 +HETATM 24022 O O . HOH UB 6 . ? 26.608 47.654 143.414 1.00 32.68 ? ? ? ? ? ? 1161 HOH A O 1 +HETATM 24023 O O . HOH UB 6 . ? 16.243 30.717 139.855 1.00 33.02 ? ? ? ? ? ? 1172 HOH A O 1 +HETATM 24024 O O . HOH UB 6 . ? 27.622 71.947 153.738 1.00 32.20 ? ? ? ? ? ? 1194 HOH A O 1 +HETATM 24025 O O . HOH UB 6 . ? 29.651 29.287 148.730 1.00 33.54 ? ? ? ? ? ? 1201 HOH A O 1 +HETATM 24026 O O . HOH UB 6 . ? 46.229 48.334 150.504 1.00 32.45 ? ? ? ? ? ? 1206 HOH A O 1 +HETATM 24027 O O . HOH UB 6 . ? 6.489 63.994 155.183 1.00 31.80 ? ? ? ? ? ? 1217 HOH A O 1 +HETATM 24028 O O . HOH UB 6 . ? 4.208 45.094 134.038 1.00 33.17 ? ? ? ? ? ? 1272 HOH A O 1 +HETATM 24029 O O . HOH UB 6 . ? 43.451 38.297 139.731 1.00 33.57 ? ? ? ? ? ? 1273 HOH A O 1 +HETATM 24030 O O . HOH UB 6 . ? 3.389 48.125 157.877 1.00 39.44 ? ? ? ? ? ? 1294 HOH A O 1 +HETATM 24031 O O . HOH UB 6 . ? 20.240 51.998 165.193 1.00 32.49 ? ? ? ? ? ? 1297 HOH A O 1 +HETATM 24032 O O . HOH UB 6 . ? 44.004 37.367 150.771 1.00 38.84 ? ? ? ? ? ? 1303 HOH A O 1 +HETATM 24033 O O . HOH UB 6 . ? 4.809 45.588 137.447 1.00 31.56 ? ? ? ? ? ? 1304 HOH A O 1 +HETATM 24034 O O . HOH UB 6 . ? 34.517 71.079 154.646 1.00 33.16 ? ? ? ? ? ? 1313 HOH A O 1 +HETATM 24035 O O . HOH UB 6 . ? 9.556 35.757 135.660 1.00 35.12 ? ? ? ? ? ? 1315 HOH A O 1 +HETATM 24036 O O . HOH UB 6 . ? 11.111 65.862 155.053 1.00 31.54 ? ? ? ? ? ? 1319 HOH A O 1 +HETATM 24037 O O . HOH UB 6 . ? -1.062 54.477 150.559 1.00 35.19 ? ? ? ? ? ? 1323 HOH A O 1 +HETATM 24038 O O . HOH UB 6 . ? 17.476 62.567 156.661 1.00 31.21 ? ? ? ? ? ? 1348 HOH A O 1 +HETATM 24039 O O . HOH UB 6 . ? 22.405 61.236 136.134 1.00 37.71 ? ? ? ? ? ? 1349 HOH A O 1 +HETATM 24040 O O . HOH UB 6 . ? 38.072 57.929 138.779 1.00 37.70 ? ? ? ? ? ? 1373 HOH A O 1 +HETATM 24041 O O . HOH UB 6 . ? 23.991 30.428 145.695 1.00 37.89 ? ? ? ? ? ? 1381 HOH A O 1 +HETATM 24042 O O . HOH UB 6 . ? 3.553 42.627 141.915 1.00 35.46 ? ? ? ? ? ? 1382 HOH A O 1 +HETATM 24043 O O . HOH UB 6 . ? 1.418 40.688 143.733 1.00 34.33 ? ? ? ? ? ? 1413 HOH A O 1 +HETATM 24044 O O . HOH UB 6 . ? 1.075 42.324 148.340 1.00 33.67 ? ? ? ? ? ? 1422 HOH A O 1 +HETATM 24045 O O . HOH UB 6 . ? 44.388 39.567 150.708 1.00 35.34 ? ? ? ? ? ? 1431 HOH A O 1 +HETATM 24046 O O . HOH UB 6 . ? 34.272 30.432 146.752 1.00 35.87 ? ? ? ? ? ? 1432 HOH A O 1 +HETATM 24047 O O . HOH UB 6 . ? 24.153 53.611 158.736 1.00 35.76 ? ? ? ? ? ? 1441 HOH A O 1 +HETATM 24048 O O . HOH UB 6 . ? 21.536 66.766 152.141 1.00 36.50 ? ? ? ? ? ? 1458 HOH A O 1 +HETATM 24049 O O . HOH UB 6 . ? 5.512 50.460 129.321 1.00 33.64 ? ? ? ? ? ? 1466 HOH A O 1 +HETATM 24050 O O . HOH UB 6 . ? 3.610 47.140 149.578 1.00 37.57 ? ? ? ? ? ? 1467 HOH A O 1 +HETATM 24051 O O . HOH UB 6 . ? 29.720 45.862 137.257 1.00 36.55 ? ? ? ? ? ? 1498 HOH A O 1 +HETATM 24052 O O . HOH UB 6 . ? 44.749 34.023 148.509 1.00 33.46 ? ? ? ? ? ? 1506 HOH A O 1 +HETATM 24053 O O . HOH UB 6 . ? 43.449 61.396 142.431 1.00 35.80 ? ? ? ? ? ? 1518 HOH A O 1 +HETATM 24054 O O . HOH UB 6 . ? 19.587 34.672 143.685 1.00 37.15 ? ? ? ? ? ? 1573 HOH A O 1 +HETATM 24055 O O . HOH UB 6 . ? 27.021 68.838 159.352 1.00 37.14 ? ? ? ? ? ? 1579 HOH A O 1 +HETATM 24056 O O . HOH UB 6 . ? 47.011 54.273 148.073 1.00 37.08 ? ? ? ? ? ? 1604 HOH A O 1 +HETATM 24057 O O . HOH UB 6 . ? 14.342 48.284 128.614 1.00 35.89 ? ? ? ? ? ? 1611 HOH A O 1 +HETATM 24058 O O . HOH UB 6 . ? 17.945 30.444 142.108 1.00 35.38 ? ? ? ? ? ? 1633 HOH A O 1 +HETATM 24059 O O . HOH UB 6 . ? 38.361 72.326 147.257 1.00 38.83 ? ? ? ? ? ? 1648 HOH A O 1 +HETATM 24060 O O . HOH UB 6 . ? 39.651 70.031 150.871 1.00 37.62 ? ? ? ? ? ? 1668 HOH A O 1 +HETATM 24061 O O . HOH UB 6 . ? 48.376 57.860 141.399 1.00 42.65 ? ? ? ? ? ? 1687 HOH A O 1 +HETATM 24062 O O . HOH UB 6 . ? 48.868 50.920 129.964 1.00 38.77 ? ? ? ? ? ? 1701 HOH A O 1 +HETATM 24063 O O . HOH UB 6 . ? 14.938 64.723 151.818 1.00 40.23 ? ? ? ? ? ? 1709 HOH A O 1 +HETATM 24064 O O . HOH UB 6 . ? 2.043 45.989 151.764 1.00 40.18 ? ? ? ? ? ? 1725 HOH A O 1 +HETATM 24065 O O . HOH UB 6 . ? 9.000 61.693 157.409 1.00 41.21 ? ? ? ? ? ? 1732 HOH A O 1 +HETATM 24066 O O . HOH UB 6 . ? 44.026 58.356 160.921 1.00 39.09 ? ? ? ? ? ? 1735 HOH A O 1 +HETATM 24067 O O . HOH UB 6 . ? 42.746 31.430 151.675 1.00 38.48 ? ? ? ? ? ? 1738 HOH A O 1 +HETATM 24068 O O . HOH UB 6 . ? 25.132 62.155 135.482 1.00 39.78 ? ? ? ? ? ? 1784 HOH A O 1 +HETATM 24069 O O . HOH UB 6 . ? 11.814 63.288 136.426 1.00 40.71 ? ? ? ? ? ? 1795 HOH A O 1 +HETATM 24070 O O . HOH UB 6 . ? 3.415 42.863 156.711 1.00 43.04 ? ? ? ? ? ? 1810 HOH A O 1 +HETATM 24071 O O . HOH UB 6 . ? 16.180 61.591 159.236 1.00 39.05 ? ? ? ? ? ? 1819 HOH A O 1 +HETATM 24072 O O . HOH UB 6 . ? 45.850 59.586 142.211 1.00 41.86 ? ? ? ? ? ? 1830 HOH A O 1 +HETATM 24073 O O . HOH UB 6 . ? 52.107 48.432 137.292 1.00 37.56 ? ? ? ? ? ? 1842 HOH A O 1 +HETATM 24074 O O . HOH UB 6 . ? 1.055 45.609 160.148 1.00 38.67 ? ? ? ? ? ? 1877 HOH A O 1 +HETATM 24075 O O . HOH UB 6 . ? 50.018 57.205 148.111 1.00 42.28 ? ? ? ? ? ? 1884 HOH A O 1 +HETATM 24076 O O . HOH UB 6 . ? 8.223 38.316 136.004 1.00 40.95 ? ? ? ? ? ? 1885 HOH A O 1 +HETATM 24077 O O . HOH UB 6 . ? 12.145 63.307 140.459 1.00 37.98 ? ? ? ? ? ? 1920 HOH A O 1 +HETATM 24078 O O . HOH UB 6 . ? 47.441 39.040 148.093 1.00 44.69 ? ? ? ? ? ? 1925 HOH A O 1 +HETATM 24079 O O . HOH UB 6 . ? 26.676 63.887 162.055 1.00 42.82 ? ? ? ? ? ? 1941 HOH A O 1 +HETATM 24080 O O . HOH UB 6 . ? 40.521 59.641 163.719 1.00 42.07 ? ? ? ? ? ? 1961 HOH A O 1 +HETATM 24081 O O . HOH UB 6 . ? 35.848 46.894 144.396 1.00 39.64 ? ? ? ? ? ? 1966 HOH A O 1 +HETATM 24082 O O . HOH UB 6 . ? 30.257 56.935 139.333 1.00 40.03 ? ? ? ? ? ? 1971 HOH A O 1 +HETATM 24083 O O . HOH UB 6 . ? 24.390 56.694 159.631 1.00 42.05 ? ? ? ? ? ? 1990 HOH A O 1 +HETATM 24084 O O . HOH UB 6 . ? 1.713 55.166 151.032 1.00 37.76 ? ? ? ? ? ? 1998 HOH A O 1 +HETATM 24085 O O . HOH UB 6 . ? 48.784 40.314 144.424 1.00 38.92 ? ? ? ? ? ? 2015 HOH A O 1 +HETATM 24086 O O . HOH UB 6 . ? 7.669 60.442 136.007 1.00 43.85 ? ? ? ? ? ? 2034 HOH A O 1 +HETATM 24087 O O . HOH UB 6 . ? 30.814 74.657 148.000 1.00 44.43 ? ? ? ? ? ? 2035 HOH A O 1 +HETATM 24088 O O . HOH UB 6 . ? 44.360 62.784 139.570 1.00 47.01 ? ? ? ? ? ? 2048 HOH A O 1 +HETATM 24089 O O . HOH UB 6 . ? 15.934 64.320 138.122 1.00 42.67 ? ? ? ? ? ? 2071 HOH A O 1 +HETATM 24090 O O . HOH UB 6 . ? 25.756 48.628 159.464 1.00 43.51 ? ? ? ? ? ? 2076 HOH A O 1 +HETATM 24091 O O . HOH UB 6 . ? 35.750 59.151 138.514 1.00 45.69 ? ? ? ? ? ? 2088 HOH A O 1 +HETATM 24092 O O . HOH UB 6 . ? 36.185 67.018 137.269 1.00 43.65 ? ? ? ? ? ? 2111 HOH A O 1 +HETATM 24093 O O . HOH UB 6 . ? 44.578 38.550 148.387 1.00 46.80 ? ? ? ? ? ? 2145 HOH A O 1 +HETATM 24094 O O . HOH UB 6 . ? 20.541 58.447 136.085 1.00 44.24 ? ? ? ? ? ? 2159 HOH A O 1 +HETATM 24095 O O . HOH UB 6 . ? 35.103 61.909 140.547 1.00 44.92 ? ? ? ? ? ? 2173 HOH A O 1 +HETATM 24096 O O . HOH UB 6 . ? 44.127 48.203 122.752 1.00 48.76 ? ? ? ? ? ? 2177 HOH A O 1 +HETATM 24097 O O . HOH UB 6 . ? 54.096 51.779 137.849 1.00 48.56 ? ? ? ? ? ? 2180 HOH A O 1 +HETATM 24098 O O . HOH UB 6 . ? 52.905 53.899 139.020 1.00 47.73 ? ? ? ? ? ? 2184 HOH A O 1 +HETATM 24099 O O . HOH UB 6 . ? 34.627 70.790 142.117 1.00 48.07 ? ? ? ? ? ? 2196 HOH A O 1 +HETATM 24100 O O . HOH UB 6 . ? 7.329 42.416 138.383 1.00 49.59 ? ? ? ? ? ? 2228 HOH A O 1 +HETATM 24101 O O . HOH UB 6 . ? -2.946 46.919 160.698 1.00 51.29 ? ? ? ? ? ? 2244 HOH A O 1 +HETATM 24102 O O . HOH UB 6 . ? 19.775 59.071 158.302 1.00 30.74 ? ? ? ? ? ? 2247 HOH A O 1 +HETATM 24103 O O . HOH UB 6 . ? 19.848 55.522 161.516 1.00 37.34 ? ? ? ? ? ? 2248 HOH A O 1 +HETATM 24104 O O . HOH UB 6 . ? 32.554 57.369 143.522 1.00 45.96 ? ? ? ? ? ? 2249 HOH A O 1 +HETATM 24105 O O . HOH VB 6 . ? 23.874 24.787 166.704 1.00 14.71 ? ? ? ? ? ? 256 HOH B O 1 +HETATM 24106 O O . HOH VB 6 . ? 16.714 38.816 161.870 1.00 15.03 ? ? ? ? ? ? 257 HOH B O 1 +HETATM 24107 O O . HOH VB 6 . ? 13.574 34.659 155.233 1.00 18.89 ? ? ? ? ? ? 258 HOH B O 1 +HETATM 24108 O O . HOH VB 6 . ? 13.655 55.261 183.868 1.00 17.19 ? ? ? ? ? ? 259 HOH B O 1 +HETATM 24109 O O . HOH VB 6 . ? 7.127 42.537 175.631 1.00 17.10 ? ? ? ? ? ? 260 HOH B O 1 +HETATM 24110 O O . HOH VB 6 . ? 37.699 27.623 164.446 1.00 18.39 ? ? ? ? ? ? 261 HOH B O 1 +HETATM 24111 O O . HOH VB 6 . ? 14.908 39.257 171.859 1.00 19.09 ? ? ? ? ? ? 262 HOH B O 1 +HETATM 24112 O O . HOH VB 6 . ? 10.125 56.308 180.718 1.00 21.25 ? ? ? ? ? ? 263 HOH B O 1 +HETATM 24113 O O . HOH VB 6 . ? 14.273 16.980 177.504 1.00 19.01 ? ? ? ? ? ? 264 HOH B O 1 +HETATM 24114 O O . HOH VB 6 . ? 5.311 51.455 182.011 1.00 18.88 ? ? ? ? ? ? 265 HOH B O 1 +HETATM 24115 O O . HOH VB 6 . ? 30.905 47.873 165.834 1.00 19.33 ? ? ? ? ? ? 266 HOH B O 1 +HETATM 24116 O O . HOH VB 6 . ? 36.180 27.187 168.772 1.00 18.44 ? ? ? ? ? ? 267 HOH B O 1 +HETATM 24117 O O . HOH VB 6 . ? 9.329 46.773 168.084 1.00 23.14 ? ? ? ? ? ? 268 HOH B O 1 +HETATM 24118 O O . HOH VB 6 . ? 6.350 53.829 181.659 1.00 21.24 ? ? ? ? ? ? 269 HOH B O 1 +HETATM 24119 O O . HOH VB 6 . ? 25.350 32.295 176.815 1.00 20.54 ? ? ? ? ? ? 270 HOH B O 1 +HETATM 24120 O O . HOH VB 6 . ? 15.475 55.089 186.078 1.00 20.81 ? ? ? ? ? ? 271 HOH B O 1 +HETATM 24121 O O . HOH VB 6 . ? 21.442 29.659 152.555 1.00 21.71 ? ? ? ? ? ? 272 HOH B O 1 +HETATM 24122 O O . HOH VB 6 . ? 19.356 41.496 173.230 1.00 20.90 ? ? ? ? ? ? 273 HOH B O 1 +HETATM 24123 O O . HOH VB 6 . ? 35.789 26.796 166.096 1.00 20.36 ? ? ? ? ? ? 274 HOH B O 1 +HETATM 24124 O O . HOH VB 6 . ? 21.462 29.902 164.275 1.00 20.01 ? ? ? ? ? ? 275 HOH B O 1 +HETATM 24125 O O . HOH VB 6 . ? 8.921 41.129 181.127 1.00 22.18 ? ? ? ? ? ? 276 HOH B O 1 +HETATM 24126 O O . HOH VB 6 . ? 16.566 42.998 167.042 1.00 22.59 ? ? ? ? ? ? 277 HOH B O 1 +HETATM 24127 O O . HOH VB 6 . ? 9.215 53.465 171.470 1.00 22.04 ? ? ? ? ? ? 287 HOH B O 1 +HETATM 24128 O O . HOH VB 6 . ? 10.858 55.022 178.058 1.00 20.12 ? ? ? ? ? ? 295 HOH B O 1 +HETATM 24129 O O . HOH VB 6 . ? 8.785 51.329 184.490 1.00 21.63 ? ? ? ? ? ? 323 HOH B O 1 +HETATM 24130 O O . HOH VB 6 . ? 18.006 28.469 165.484 1.00 23.07 ? ? ? ? ? ? 328 HOH B O 1 +HETATM 24131 O O . HOH VB 6 . ? 39.788 25.585 167.270 1.00 24.07 ? ? ? ? ? ? 374 HOH B O 1 +HETATM 24132 O O . HOH VB 6 . ? 25.217 29.266 170.431 1.00 25.29 ? ? ? ? ? ? 384 HOH B O 1 +HETATM 24133 O O . HOH VB 6 . ? 3.677 54.993 182.124 1.00 26.18 ? ? ? ? ? ? 386 HOH B O 1 +HETATM 24134 O O . HOH VB 6 . ? 29.074 51.175 174.774 1.00 24.62 ? ? ? ? ? ? 419 HOH B O 1 +HETATM 24135 O O . HOH VB 6 . ? 7.786 44.499 183.984 1.00 25.31 ? ? ? ? ? ? 446 HOH B O 1 +HETATM 24136 O O . HOH VB 6 . ? 36.149 37.772 185.802 1.00 24.31 ? ? ? ? ? ? 451 HOH B O 1 +HETATM 24137 O O . HOH VB 6 . ? 44.428 28.225 172.525 1.00 23.80 ? ? ? ? ? ? 474 HOH B O 1 +HETATM 24138 O O . HOH VB 6 . ? 24.767 25.144 156.978 1.00 23.97 ? ? ? ? ? ? 483 HOH B O 1 +HETATM 24139 O O . HOH VB 6 . ? 25.175 31.598 171.661 1.00 26.60 ? ? ? ? ? ? 485 HOH B O 1 +HETATM 24140 O O . HOH VB 6 . ? 7.993 55.978 168.981 1.00 25.04 ? ? ? ? ? ? 496 HOH B O 1 +HETATM 24141 O O . HOH VB 6 . ? 32.223 25.359 158.111 1.00 26.15 ? ? ? ? ? ? 510 HOH B O 1 +HETATM 24142 O O . HOH VB 6 . ? 34.364 21.281 158.795 1.00 23.43 ? ? ? ? ? ? 512 HOH B O 1 +HETATM 24143 O O . HOH VB 6 . ? 13.039 20.848 176.027 1.00 26.95 ? ? ? ? ? ? 584 HOH B O 1 +HETATM 24144 O O . HOH VB 6 . ? 9.068 23.172 174.372 1.00 23.12 ? ? ? ? ? ? 586 HOH B O 1 +HETATM 24145 O O . HOH VB 6 . ? 33.403 52.435 160.499 1.00 26.51 ? ? ? ? ? ? 594 HOH B O 1 +HETATM 24146 O O . HOH VB 6 . ? 24.420 29.204 152.325 1.00 27.00 ? ? ? ? ? ? 612 HOH B O 1 +HETATM 24147 O O . HOH VB 6 . ? 46.589 43.145 165.614 1.00 27.63 ? ? ? ? ? ? 624 HOH B O 1 +HETATM 24148 O O . HOH VB 6 . ? 5.611 39.268 182.156 1.00 25.89 ? ? ? ? ? ? 642 HOH B O 1 +HETATM 24149 O O . HOH VB 6 . ? 24.444 34.796 187.673 1.00 27.20 ? ? ? ? ? ? 645 HOH B O 1 +HETATM 24150 O O . HOH VB 6 . ? 13.946 51.361 189.054 1.00 26.89 ? ? ? ? ? ? 700 HOH B O 1 +HETATM 24151 O O . HOH VB 6 . ? 34.713 36.598 183.588 1.00 28.18 ? ? ? ? ? ? 704 HOH B O 1 +HETATM 24152 O O . HOH VB 6 . ? 17.608 57.883 181.948 1.00 29.39 ? ? ? ? ? ? 712 HOH B O 1 +HETATM 24153 O O . HOH VB 6 . ? 20.668 30.880 172.140 1.00 27.72 ? ? ? ? ? ? 744 HOH B O 1 +HETATM 24154 O O . HOH VB 6 . ? 36.399 40.261 185.667 1.00 27.11 ? ? ? ? ? ? 746 HOH B O 1 +HETATM 24155 O O . HOH VB 6 . ? 5.530 32.834 157.713 1.00 28.36 ? ? ? ? ? ? 776 HOH B O 1 +HETATM 24156 O O . HOH VB 6 . ? -1.819 24.697 165.787 1.00 29.12 ? ? ? ? ? ? 784 HOH B O 1 +HETATM 24157 O O . HOH VB 6 . ? 21.505 55.218 182.534 1.00 28.76 ? ? ? ? ? ? 808 HOH B O 1 +HETATM 24158 O O . HOH VB 6 . ? 13.616 55.464 177.436 1.00 28.26 ? ? ? ? ? ? 811 HOH B O 1 +HETATM 24159 O O . HOH VB 6 . ? 39.817 45.843 175.032 1.00 28.87 ? ? ? ? ? ? 827 HOH B O 1 +HETATM 24160 O O . HOH VB 6 . ? 39.494 52.161 177.641 1.00 29.37 ? ? ? ? ? ? 835 HOH B O 1 +HETATM 24161 O O . HOH VB 6 . ? 6.267 24.321 164.553 1.00 30.02 ? ? ? ? ? ? 836 HOH B O 1 +HETATM 24162 O O . HOH VB 6 . ? 37.733 20.637 178.865 1.00 29.78 ? ? ? ? ? ? 848 HOH B O 1 +HETATM 24163 O O . HOH VB 6 . ? -1.650 18.325 176.368 1.00 29.11 ? ? ? ? ? ? 856 HOH B O 1 +HETATM 24164 O O . HOH VB 6 . ? 1.830 39.899 180.102 1.00 29.41 ? ? ? ? ? ? 876 HOH B O 1 +HETATM 24165 O O . HOH VB 6 . ? 12.854 33.962 167.483 1.00 29.31 ? ? ? ? ? ? 885 HOH B O 1 +HETATM 24166 O O . HOH VB 6 . ? 5.402 33.960 159.697 1.00 30.38 ? ? ? ? ? ? 908 HOH B O 1 +HETATM 24167 O O . HOH VB 6 . ? 20.480 26.857 152.244 1.00 28.64 ? ? ? ? ? ? 929 HOH B O 1 +HETATM 24168 O O . HOH VB 6 . ? 0.531 22.822 180.292 1.00 32.78 ? ? ? ? ? ? 950 HOH B O 1 +HETATM 24169 O O . HOH VB 6 . ? 33.637 52.393 179.203 1.00 28.00 ? ? ? ? ? ? 964 HOH B O 1 +HETATM 24170 O O . HOH VB 6 . ? 49.822 48.106 170.196 1.00 33.09 ? ? ? ? ? ? 965 HOH B O 1 +HETATM 24171 O O . HOH VB 6 . ? 26.746 27.594 154.352 1.00 29.53 ? ? ? ? ? ? 995 HOH B O 1 +HETATM 24172 O O . HOH VB 6 . ? 13.385 36.650 170.021 1.00 30.24 ? ? ? ? ? ? 1005 HOH B O 1 +HETATM 24173 O O . HOH VB 6 . ? 28.503 28.086 152.750 1.00 29.28 ? ? ? ? ? ? 1009 HOH B O 1 +HETATM 24174 O O . HOH VB 6 . ? 43.868 30.895 169.552 1.00 29.47 ? ? ? ? ? ? 1010 HOH B O 1 +HETATM 24175 O O . HOH VB 6 . ? 22.457 32.485 183.310 1.00 31.72 ? ? ? ? ? ? 1015 HOH B O 1 +HETATM 24176 O O . HOH VB 6 . ? 25.164 46.065 189.776 1.00 29.12 ? ? ? ? ? ? 1035 HOH B O 1 +HETATM 24177 O O . HOH VB 6 . ? 3.157 38.825 166.828 1.00 30.70 ? ? ? ? ? ? 1041 HOH B O 1 +HETATM 24178 O O . HOH VB 6 . ? 16.289 37.264 172.523 1.00 32.96 ? ? ? ? ? ? 1063 HOH B O 1 +HETATM 24179 O O . HOH VB 6 . ? 31.937 53.737 170.059 1.00 33.39 ? ? ? ? ? ? 1077 HOH B O 1 +HETATM 24180 O O . HOH VB 6 . ? 18.407 43.499 157.965 1.00 32.02 ? ? ? ? ? ? 1078 HOH B O 1 +HETATM 24181 O O . HOH VB 6 . ? 16.110 26.616 151.878 1.00 31.72 ? ? ? ? ? ? 1084 HOH B O 1 +HETATM 24182 O O . HOH VB 6 . ? 26.823 51.292 181.237 1.00 30.19 ? ? ? ? ? ? 1095 HOH B O 1 +HETATM 24183 O O . HOH VB 6 . ? 22.681 32.962 170.549 1.00 30.52 ? ? ? ? ? ? 1147 HOH B O 1 +HETATM 24184 O O . HOH VB 6 . ? 35.680 29.753 156.010 1.00 35.19 ? ? ? ? ? ? 1160 HOH B O 1 +HETATM 24185 O O . HOH VB 6 . ? 27.567 21.022 173.952 1.00 31.29 ? ? ? ? ? ? 1185 HOH B O 1 +HETATM 24186 O O . HOH VB 6 . ? 27.794 33.144 183.228 1.00 33.50 ? ? ? ? ? ? 1240 HOH B O 1 +HETATM 24187 O O . HOH VB 6 . ? 0.433 26.145 165.036 1.00 35.84 ? ? ? ? ? ? 1250 HOH B O 1 +HETATM 24188 O O . HOH VB 6 . ? 8.332 38.559 190.532 1.00 34.06 ? ? ? ? ? ? 1252 HOH B O 1 +HETATM 24189 O O . HOH VB 6 . ? 36.902 51.436 181.560 1.00 32.13 ? ? ? ? ? ? 1254 HOH B O 1 +HETATM 24190 O O . HOH VB 6 . ? 43.540 23.914 172.708 1.00 35.19 ? ? ? ? ? ? 1274 HOH B O 1 +HETATM 24191 O O . HOH VB 6 . ? 40.576 20.753 165.383 1.00 39.15 ? ? ? ? ? ? 1281 HOH B O 1 +HETATM 24192 O O . HOH VB 6 . ? -0.910 44.122 173.586 1.00 36.93 ? ? ? ? ? ? 1296 HOH B O 1 +HETATM 24193 O O . HOH VB 6 . ? 34.142 50.416 180.506 1.00 32.90 ? ? ? ? ? ? 1301 HOH B O 1 +HETATM 24194 O O . HOH VB 6 . ? 36.741 61.316 163.367 1.00 35.36 ? ? ? ? ? ? 1338 HOH B O 1 +HETATM 24195 O O . HOH VB 6 . ? 33.989 18.693 158.661 1.00 31.34 ? ? ? ? ? ? 1346 HOH B O 1 +HETATM 24196 O O . HOH VB 6 . ? 43.623 37.378 168.113 1.00 37.07 ? ? ? ? ? ? 1350 HOH B O 1 +HETATM 24197 O O . HOH VB 6 . ? 32.470 50.022 182.743 1.00 35.87 ? ? ? ? ? ? 1370 HOH B O 1 +HETATM 24198 O O . HOH VB 6 . ? 36.570 57.249 161.079 1.00 35.21 ? ? ? ? ? ? 1388 HOH B O 1 +HETATM 24199 O O . HOH VB 6 . ? 46.301 31.998 169.208 1.00 35.79 ? ? ? ? ? ? 1439 HOH B O 1 +HETATM 24200 O O . HOH VB 6 . ? 34.946 32.262 152.914 1.00 38.39 ? ? ? ? ? ? 1451 HOH B O 1 +HETATM 24201 O O . HOH VB 6 . ? 23.742 25.925 169.150 1.00 35.20 ? ? ? ? ? ? 1462 HOH B O 1 +HETATM 24202 O O . HOH VB 6 . ? 45.626 24.914 174.000 1.00 34.43 ? ? ? ? ? ? 1474 HOH B O 1 +HETATM 24203 O O . HOH VB 6 . ? 37.514 34.521 152.049 1.00 35.05 ? ? ? ? ? ? 1478 HOH B O 1 +HETATM 24204 O O . HOH VB 6 . ? 23.539 62.416 181.310 1.00 37.08 ? ? ? ? ? ? 1484 HOH B O 1 +HETATM 24205 O O . HOH VB 6 . ? 47.323 33.805 158.857 1.00 32.10 ? ? ? ? ? ? 1507 HOH B O 1 +HETATM 24206 O O . HOH VB 6 . ? 3.701 47.185 179.179 1.00 34.74 ? ? ? ? ? ? 1526 HOH B O 1 +HETATM 24207 O O . HOH VB 6 . ? 28.881 23.205 155.234 1.00 36.24 ? ? ? ? ? ? 1584 HOH B O 1 +HETATM 24208 O O . HOH VB 6 . ? 25.393 53.950 174.812 1.00 41.03 ? ? ? ? ? ? 1592 HOH B O 1 +HETATM 24209 O O . HOH VB 6 . ? 22.779 48.141 165.258 1.00 34.14 ? ? ? ? ? ? 1594 HOH B O 1 +HETATM 24210 O O . HOH VB 6 . ? 3.659 36.784 178.759 1.00 39.90 ? ? ? ? ? ? 1595 HOH B O 1 +HETATM 24211 O O . HOH VB 6 . ? 28.776 54.180 162.460 1.00 33.32 ? ? ? ? ? ? 1605 HOH B O 1 +HETATM 24212 O O . HOH VB 6 . ? 3.543 38.154 181.203 1.00 37.93 ? ? ? ? ? ? 1614 HOH B O 1 +HETATM 24213 O O . HOH VB 6 . ? 4.893 52.940 169.299 1.00 40.79 ? ? ? ? ? ? 1649 HOH B O 1 +HETATM 24214 O O . HOH VB 6 . ? 10.075 32.170 172.596 1.00 37.54 ? ? ? ? ? ? 1665 HOH B O 1 +HETATM 24215 O O . HOH VB 6 . ? 29.946 44.457 189.011 1.00 40.52 ? ? ? ? ? ? 1671 HOH B O 1 +HETATM 24216 O O . HOH VB 6 . ? 18.097 38.916 181.167 1.00 40.44 ? ? ? ? ? ? 1679 HOH B O 1 +HETATM 24217 O O . HOH VB 6 . ? 38.075 57.745 169.392 1.00 36.64 ? ? ? ? ? ? 1680 HOH B O 1 +HETATM 24218 O O . HOH VB 6 . ? 19.778 56.432 180.597 1.00 38.21 ? ? ? ? ? ? 1703 HOH B O 1 +HETATM 24219 O O . HOH VB 6 . ? 1.362 40.522 160.319 1.00 37.96 ? ? ? ? ? ? 1723 HOH B O 1 +HETATM 24220 O O . HOH VB 6 . ? 12.166 58.174 175.254 1.00 35.18 ? ? ? ? ? ? 1740 HOH B O 1 +HETATM 24221 O O . HOH VB 6 . ? 24.789 48.983 166.927 1.00 41.50 ? ? ? ? ? ? 1745 HOH B O 1 +HETATM 24222 O O . HOH VB 6 . ? 34.939 21.686 179.274 1.00 41.82 ? ? ? ? ? ? 1804 HOH B O 1 +HETATM 24223 O O . HOH VB 6 . ? 20.729 41.109 192.707 1.00 36.28 ? ? ? ? ? ? 1808 HOH B O 1 +HETATM 24224 O O . HOH VB 6 . ? 5.577 31.257 159.794 1.00 38.16 ? ? ? ? ? ? 1843 HOH B O 1 +HETATM 24225 O O . HOH VB 6 . ? 30.807 26.839 152.169 1.00 42.52 ? ? ? ? ? ? 1844 HOH B O 1 +HETATM 24226 O O . HOH VB 6 . ? 44.235 26.919 160.262 1.00 39.36 ? ? ? ? ? ? 1849 HOH B O 1 +HETATM 24227 O O . HOH VB 6 . ? 2.282 29.594 162.926 1.00 42.37 ? ? ? ? ? ? 1862 HOH B O 1 +HETATM 24228 O O . HOH VB 6 . ? -1.829 35.110 171.985 1.00 40.98 ? ? ? ? ? ? 1867 HOH B O 1 +HETATM 24229 O O . HOH VB 6 . ? 10.013 57.609 177.043 1.00 40.33 ? ? ? ? ? ? 1873 HOH B O 1 +HETATM 24230 O O . HOH VB 6 . ? 24.277 55.002 179.027 1.00 39.88 ? ? ? ? ? ? 1915 HOH B O 1 +HETATM 24231 O O . HOH VB 6 . ? 40.884 38.220 184.549 1.00 42.59 ? ? ? ? ? ? 1929 HOH B O 1 +HETATM 24232 O O . HOH VB 6 . ? 41.131 31.744 155.138 1.00 39.52 ? ? ? ? ? ? 1958 HOH B O 1 +HETATM 24233 O O . HOH VB 6 . ? 45.886 28.134 183.756 1.00 37.32 ? ? ? ? ? ? 1962 HOH B O 1 +HETATM 24234 O O . HOH VB 6 . ? 48.724 35.849 159.362 1.00 41.33 ? ? ? ? ? ? 1980 HOH B O 1 +HETATM 24235 O O . HOH VB 6 . ? 43.000 26.663 170.585 1.00 44.10 ? ? ? ? ? ? 1988 HOH B O 1 +HETATM 24236 O O . HOH VB 6 . ? 7.379 56.222 179.197 1.00 48.56 ? ? ? ? ? ? 1993 HOH B O 1 +HETATM 24237 O O . HOH VB 6 . ? 9.072 23.120 183.234 1.00 39.88 ? ? ? ? ? ? 1999 HOH B O 1 +HETATM 24238 O O . HOH VB 6 . ? 0.976 41.385 183.012 1.00 41.06 ? ? ? ? ? ? 2001 HOH B O 1 +HETATM 24239 O O . HOH VB 6 . ? 2.460 37.206 164.470 1.00 44.74 ? ? ? ? ? ? 2005 HOH B O 1 +HETATM 24240 O O . HOH VB 6 . ? 26.955 49.707 165.641 1.00 43.68 ? ? ? ? ? ? 2010 HOH B O 1 +HETATM 24241 O O . HOH VB 6 . ? 5.433 46.471 191.248 1.00 44.34 ? ? ? ? ? ? 2013 HOH B O 1 +HETATM 24242 O O . HOH VB 6 . ? -2.364 31.976 162.509 1.00 43.24 ? ? ? ? ? ? 2051 HOH B O 1 +HETATM 24243 O O . HOH VB 6 . ? 13.596 28.017 150.604 1.00 44.33 ? ? ? ? ? ? 2052 HOH B O 1 +HETATM 24244 O O . HOH VB 6 . ? 18.161 45.532 188.051 1.00 42.61 ? ? ? ? ? ? 2056 HOH B O 1 +HETATM 24245 O O . HOH VB 6 . ? 47.208 53.090 164.258 1.00 46.34 ? ? ? ? ? ? 2070 HOH B O 1 +HETATM 24246 O O . HOH VB 6 . ? 20.106 44.097 192.325 1.00 42.56 ? ? ? ? ? ? 2082 HOH B O 1 +HETATM 24247 O O . HOH VB 6 . ? 5.121 15.285 182.546 1.00 45.36 ? ? ? ? ? ? 2105 HOH B O 1 +HETATM 24248 O O . HOH VB 6 . ? 45.780 45.950 163.317 1.00 48.69 ? ? ? ? ? ? 2137 HOH B O 1 +HETATM 24249 O O . HOH VB 6 . ? 46.207 29.704 167.400 1.00 48.75 ? ? ? ? ? ? 2168 HOH B O 1 +HETATM 24250 O O . HOH VB 6 . ? 41.012 22.881 167.055 1.00 50.78 ? ? ? ? ? ? 2206 HOH B O 1 +HETATM 24251 O O . HOH VB 6 . ? 18.979 28.244 148.514 1.00 51.29 ? ? ? ? ? ? 2211 HOH B O 1 +HETATM 24252 O O . HOH VB 6 . ? 46.390 31.164 172.430 1.00 52.16 ? ? ? ? ? ? 2231 HOH B O 1 +HETATM 24253 O O . HOH VB 6 . ? 13.505 40.889 177.843 1.00 29.92 ? ? ? ? ? ? 2256 HOH B O 1 +HETATM 24254 O O . HOH VB 6 . ? 31.002 46.654 185.151 1.00 32.14 ? ? ? ? ? ? 2258 HOH B O 1 +HETATM 24255 O O . HOH WB 6 . ? 27.495 6.694 170.161 1.00 12.84 ? ? ? ? ? ? 258 HOH C O 1 +HETATM 24256 O O . HOH WB 6 . ? 33.652 7.828 181.123 1.00 14.32 ? ? ? ? ? ? 259 HOH C O 1 +HETATM 24257 O O . HOH WB 6 . ? 28.901 10.458 164.711 1.00 17.18 ? ? ? ? ? ? 260 HOH C O 1 +HETATM 24258 O O . HOH WB 6 . ? 33.965 14.079 159.205 1.00 16.30 ? ? ? ? ? ? 261 HOH C O 1 +HETATM 24259 O O . HOH WB 6 . ? 9.789 22.405 162.098 1.00 17.38 ? ? ? ? ? ? 262 HOH C O 1 +HETATM 24260 O O . HOH WB 6 . ? 29.854 9.429 185.716 1.00 16.52 ? ? ? ? ? ? 263 HOH C O 1 +HETATM 24261 O O . HOH WB 6 . ? 20.970 24.717 166.288 1.00 17.47 ? ? ? ? ? ? 264 HOH C O 1 +HETATM 24262 O O . HOH WB 6 . ? 13.828 -3.555 159.524 1.00 19.68 ? ? ? ? ? ? 265 HOH C O 1 +HETATM 24263 O O . HOH WB 6 . ? 23.698 19.391 164.988 1.00 18.72 ? ? ? ? ? ? 266 HOH C O 1 +HETATM 24264 O O . HOH WB 6 . ? 16.169 17.931 175.832 1.00 18.20 ? ? ? ? ? ? 267 HOH C O 1 +HETATM 24265 O O . HOH WB 6 . ? 22.914 8.489 174.646 1.00 18.51 ? ? ? ? ? ? 268 HOH C O 1 +HETATM 24266 O O . HOH WB 6 . ? 19.599 26.148 156.892 1.00 20.46 ? ? ? ? ? ? 269 HOH C O 1 +HETATM 24267 O O . HOH WB 6 . ? 32.970 11.790 187.696 1.00 18.73 ? ? ? ? ? ? 270 HOH C O 1 +HETATM 24268 O O . HOH WB 6 . ? 13.908 1.546 164.962 1.00 19.62 ? ? ? ? ? ? 271 HOH C O 1 +HETATM 24269 O O . HOH WB 6 . ? 28.488 19.608 162.952 1.00 21.03 ? ? ? ? ? ? 272 HOH C O 1 +HETATM 24270 O O . HOH WB 6 . ? 8.308 21.554 159.978 1.00 18.81 ? ? ? ? ? ? 273 HOH C O 1 +HETATM 24271 O O . HOH WB 6 . ? 26.544 20.831 167.108 1.00 21.02 ? ? ? ? ? ? 274 HOH C O 1 +HETATM 24272 O O . HOH WB 6 . ? 22.778 23.563 156.709 1.00 19.72 ? ? ? ? ? ? 275 HOH C O 1 +HETATM 24273 O O . HOH WB 6 . ? 19.291 5.577 189.103 1.00 18.81 ? ? ? ? ? ? 276 HOH C O 1 +HETATM 24274 O O . HOH WB 6 . ? 17.400 29.509 160.989 1.00 22.27 ? ? ? ? ? ? 277 HOH C O 1 +HETATM 24275 O O . HOH WB 6 . ? 10.937 28.847 162.390 1.00 20.75 ? ? ? ? ? ? 278 HOH C O 1 +HETATM 24276 O O . HOH WB 6 . ? 20.694 16.688 170.668 1.00 20.41 ? ? ? ? ? ? 279 HOH C O 1 +HETATM 24277 O O . HOH WB 6 . ? -5.252 1.154 163.019 1.00 22.77 ? ? ? ? ? ? 280 HOH C O 1 +HETATM 24278 O O . HOH WB 6 . ? 27.181 -5.397 182.019 1.00 24.27 ? ? ? ? ? ? 281 HOH C O 1 +HETATM 24279 O O . HOH WB 6 . ? 18.987 28.713 162.690 1.00 22.62 ? ? ? ? ? ? 283 HOH C O 1 +HETATM 24280 O O . HOH WB 6 . ? 13.355 -1.111 174.241 1.00 21.24 ? ? ? ? ? ? 284 HOH C O 1 +HETATM 24281 O O . HOH WB 6 . ? 15.409 23.182 155.411 1.00 20.95 ? ? ? ? ? ? 286 HOH C O 1 +HETATM 24282 O O . HOH WB 6 . ? 4.938 13.746 179.586 1.00 22.66 ? ? ? ? ? ? 290 HOH C O 1 +HETATM 24283 O O . HOH WB 6 . ? 26.020 20.974 171.725 1.00 22.99 ? ? ? ? ? ? 293 HOH C O 1 +HETATM 24284 O O . HOH WB 6 . ? 26.885 9.261 180.947 1.00 21.57 ? ? ? ? ? ? 298 HOH C O 1 +HETATM 24285 O O . HOH WB 6 . ? 27.386 18.833 153.881 1.00 22.08 ? ? ? ? ? ? 311 HOH C O 1 +HETATM 24286 O O . HOH WB 6 . ? 22.166 19.377 172.784 1.00 21.36 ? ? ? ? ? ? 318 HOH C O 1 +HETATM 24287 O O . HOH WB 6 . ? 18.362 20.317 169.649 1.00 22.51 ? ? ? ? ? ? 327 HOH C O 1 +HETATM 24288 O O . HOH WB 6 . ? 27.744 10.809 174.729 1.00 22.01 ? ? ? ? ? ? 332 HOH C O 1 +HETATM 24289 O O . HOH WB 6 . ? 8.296 22.088 164.609 1.00 23.34 ? ? ? ? ? ? 359 HOH C O 1 +HETATM 24290 O O . HOH WB 6 . ? 34.068 3.019 173.525 1.00 21.76 ? ? ? ? ? ? 393 HOH C O 1 +HETATM 24291 O O . HOH WB 6 . ? 12.881 12.154 150.712 1.00 26.04 ? ? ? ? ? ? 401 HOH C O 1 +HETATM 24292 O O . HOH WB 6 . ? 12.652 18.797 152.545 1.00 22.99 ? ? ? ? ? ? 409 HOH C O 1 +HETATM 24293 O O . HOH WB 6 . ? 32.928 -3.402 177.222 1.00 26.52 ? ? ? ? ? ? 416 HOH C O 1 +HETATM 24294 O O . HOH WB 6 . ? 37.087 10.608 186.936 1.00 23.97 ? ? ? ? ? ? 421 HOH C O 1 +HETATM 24295 O O . HOH WB 6 . ? 34.283 20.393 166.448 1.00 25.46 ? ? ? ? ? ? 424 HOH C O 1 +HETATM 24296 O O . HOH WB 6 . ? 21.957 20.913 153.811 1.00 23.55 ? ? ? ? ? ? 444 HOH C O 1 +HETATM 24297 O O . HOH WB 6 . ? 32.672 26.943 178.003 1.00 22.88 ? ? ? ? ? ? 455 HOH C O 1 +HETATM 24298 O O . HOH WB 6 . ? 40.100 11.039 173.947 1.00 23.23 ? ? ? ? ? ? 458 HOH C O 1 +HETATM 24299 O O . HOH WB 6 . ? 19.972 23.596 168.921 1.00 25.57 ? ? ? ? ? ? 471 HOH C O 1 +HETATM 24300 O O . HOH WB 6 . ? 7.905 3.733 182.593 1.00 24.81 ? ? ? ? ? ? 472 HOH C O 1 +HETATM 24301 O O . HOH WB 6 . ? 29.553 13.147 173.402 1.00 24.74 ? ? ? ? ? ? 478 HOH C O 1 +HETATM 24302 O O . HOH WB 6 . ? 31.074 -2.893 173.414 1.00 24.84 ? ? ? ? ? ? 481 HOH C O 1 +HETATM 24303 O O . HOH WB 6 . ? 15.460 -3.408 167.427 1.00 25.21 ? ? ? ? ? ? 484 HOH C O 1 +HETATM 24304 O O . HOH WB 6 . ? 19.620 0.756 167.962 1.00 23.60 ? ? ? ? ? ? 490 HOH C O 1 +HETATM 24305 O O . HOH WB 6 . ? 6.802 0.143 177.904 1.00 26.95 ? ? ? ? ? ? 491 HOH C O 1 +HETATM 24306 O O . HOH WB 6 . ? 27.803 22.478 157.903 1.00 26.27 ? ? ? ? ? ? 497 HOH C O 1 +HETATM 24307 O O . HOH WB 6 . ? 21.963 1.064 166.784 1.00 25.07 ? ? ? ? ? ? 527 HOH C O 1 +HETATM 24308 O O . HOH WB 6 . ? -0.816 5.932 159.476 1.00 26.07 ? ? ? ? ? ? 536 HOH C O 1 +HETATM 24309 O O . HOH WB 6 . ? 29.355 -0.644 189.759 1.00 25.62 ? ? ? ? ? ? 558 HOH C O 1 +HETATM 24310 O O . HOH WB 6 . ? 1.008 4.692 157.766 1.00 26.11 ? ? ? ? ? ? 590 HOH C O 1 +HETATM 24311 O O . HOH WB 6 . ? 2.036 16.012 180.587 1.00 25.81 ? ? ? ? ? ? 597 HOH C O 1 +HETATM 24312 O O . HOH WB 6 . ? 32.283 22.566 157.200 1.00 26.76 ? ? ? ? ? ? 598 HOH C O 1 +HETATM 24313 O O . HOH WB 6 . ? 5.703 23.696 161.970 1.00 24.89 ? ? ? ? ? ? 603 HOH C O 1 +HETATM 24314 O O . HOH WB 6 . ? 25.417 11.367 179.252 1.00 24.94 ? ? ? ? ? ? 604 HOH C O 1 +HETATM 24315 O O . HOH WB 6 . ? 29.398 -5.469 183.288 1.00 25.25 ? ? ? ? ? ? 611 HOH C O 1 +HETATM 24316 O O . HOH WB 6 . ? -0.731 19.300 160.018 1.00 28.58 ? ? ? ? ? ? 616 HOH C O 1 +HETATM 24317 O O . HOH WB 6 . ? 17.671 -4.761 162.972 1.00 25.42 ? ? ? ? ? ? 619 HOH C O 1 +HETATM 24318 O O . HOH WB 6 . ? 11.755 -4.422 168.977 1.00 29.09 ? ? ? ? ? ? 628 HOH C O 1 +HETATM 24319 O O . HOH WB 6 . ? 12.107 2.999 190.254 1.00 23.29 ? ? ? ? ? ? 648 HOH C O 1 +HETATM 24320 O O . HOH WB 6 . ? 22.539 23.297 154.104 1.00 26.48 ? ? ? ? ? ? 651 HOH C O 1 +HETATM 24321 O O . HOH WB 6 . ? 16.811 28.782 170.130 1.00 27.61 ? ? ? ? ? ? 659 HOH C O 1 +HETATM 24322 O O . HOH WB 6 . ? 28.378 5.273 161.115 1.00 26.09 ? ? ? ? ? ? 685 HOH C O 1 +HETATM 24323 O O . HOH WB 6 . ? 35.427 13.612 184.555 1.00 26.70 ? ? ? ? ? ? 686 HOH C O 1 +HETATM 24324 O O . HOH WB 6 . ? 26.077 12.989 174.803 1.00 27.16 ? ? ? ? ? ? 687 HOH C O 1 +HETATM 24325 O O . HOH WB 6 . ? 26.608 20.565 164.372 1.00 28.82 ? ? ? ? ? ? 688 HOH C O 1 +HETATM 24326 O O . HOH WB 6 . ? 20.977 16.041 181.616 1.00 29.54 ? ? ? ? ? ? 691 HOH C O 1 +HETATM 24327 O O . HOH WB 6 . ? 13.893 27.337 155.192 1.00 26.83 ? ? ? ? ? ? 709 HOH C O 1 +HETATM 24328 O O . HOH WB 6 . ? 30.561 6.145 189.030 1.00 26.79 ? ? ? ? ? ? 726 HOH C O 1 +HETATM 24329 O O . HOH WB 6 . ? 2.365 -2.158 173.977 1.00 26.33 ? ? ? ? ? ? 749 HOH C O 1 +HETATM 24330 O O . HOH WB 6 . ? 16.246 25.837 154.592 1.00 28.09 ? ? ? ? ? ? 752 HOH C O 1 +HETATM 24331 O O . HOH WB 6 . ? 0.427 2.323 157.927 1.00 28.19 ? ? ? ? ? ? 763 HOH C O 1 +HETATM 24332 O O . HOH WB 6 . ? 12.422 5.212 189.271 1.00 29.14 ? ? ? ? ? ? 770 HOH C O 1 +HETATM 24333 O O . HOH WB 6 . ? 1.173 18.561 163.006 1.00 27.05 ? ? ? ? ? ? 779 HOH C O 1 +HETATM 24334 O O . HOH WB 6 . ? 18.103 17.945 170.770 1.00 28.40 ? ? ? ? ? ? 782 HOH C O 1 +HETATM 24335 O O . HOH WB 6 . ? 41.957 31.925 183.144 1.00 30.12 ? ? ? ? ? ? 787 HOH C O 1 +HETATM 24336 O O . HOH WB 6 . ? 24.039 -4.346 187.652 1.00 27.04 ? ? ? ? ? ? 825 HOH C O 1 +HETATM 24337 O O . HOH WB 6 . ? 2.796 4.009 170.561 1.00 28.77 ? ? ? ? ? ? 842 HOH C O 1 +HETATM 24338 O O . HOH WB 6 . ? 21.804 -4.253 189.208 1.00 26.96 ? ? ? ? ? ? 850 HOH C O 1 +HETATM 24339 O O . HOH WB 6 . ? 18.726 25.897 154.482 1.00 29.71 ? ? ? ? ? ? 857 HOH C O 1 +HETATM 24340 O O . HOH WB 6 . ? 6.240 -8.057 166.755 1.00 29.16 ? ? ? ? ? ? 866 HOH C O 1 +HETATM 24341 O O . HOH WB 6 . ? 2.839 11.233 181.332 1.00 27.99 ? ? ? ? ? ? 873 HOH C O 1 +HETATM 24342 O O . HOH WB 6 . ? 22.548 -0.302 192.232 1.00 28.73 ? ? ? ? ? ? 880 HOH C O 1 +HETATM 24343 O O . HOH WB 6 . ? 26.321 31.749 181.408 1.00 30.26 ? ? ? ? ? ? 904 HOH C O 1 +HETATM 24344 O O . HOH WB 6 . ? 41.564 5.082 184.451 1.00 31.31 ? ? ? ? ? ? 933 HOH C O 1 +HETATM 24345 O O . HOH WB 6 . ? 19.353 -2.852 162.755 1.00 30.25 ? ? ? ? ? ? 935 HOH C O 1 +HETATM 24346 O O . HOH WB 6 . ? 4.642 1.834 187.153 1.00 29.04 ? ? ? ? ? ? 943 HOH C O 1 +HETATM 24347 O O . HOH WB 6 . ? 17.186 18.063 182.850 1.00 30.40 ? ? ? ? ? ? 957 HOH C O 1 +HETATM 24348 O O . HOH WB 6 . ? 13.244 -0.815 181.216 1.00 33.62 ? ? ? ? ? ? 967 HOH C O 1 +HETATM 24349 O O . HOH WB 6 . ? 14.372 16.166 186.122 1.00 31.28 ? ? ? ? ? ? 973 HOH C O 1 +HETATM 24350 O O . HOH WB 6 . ? 9.682 -12.125 161.949 1.00 31.50 ? ? ? ? ? ? 976 HOH C O 1 +HETATM 24351 O O . HOH WB 6 . ? 38.745 27.837 186.551 1.00 30.17 ? ? ? ? ? ? 977 HOH C O 1 +HETATM 24352 O O . HOH WB 6 . ? 20.332 20.074 151.762 1.00 30.37 ? ? ? ? ? ? 985 HOH C O 1 +HETATM 24353 O O . HOH WB 6 . ? -1.033 8.707 156.820 1.00 30.00 ? ? ? ? ? ? 989 HOH C O 1 +HETATM 24354 O O . HOH WB 6 . ? 24.852 19.036 152.467 1.00 32.62 ? ? ? ? ? ? 1027 HOH C O 1 +HETATM 24355 O O . HOH WB 6 . ? 14.755 19.836 174.276 1.00 27.88 ? ? ? ? ? ? 1034 HOH C O 1 +HETATM 24356 O O . HOH WB 6 . ? 1.088 12.152 161.826 1.00 29.11 ? ? ? ? ? ? 1086 HOH C O 1 +HETATM 24357 O O . HOH WB 6 . ? 28.087 15.971 184.316 1.00 31.23 ? ? ? ? ? ? 1097 HOH C O 1 +HETATM 24358 O O . HOH WB 6 . ? -2.579 -2.677 168.646 1.00 30.23 ? ? ? ? ? ? 1126 HOH C O 1 +HETATM 24359 O O . HOH WB 6 . ? 20.385 -6.161 182.573 1.00 31.71 ? ? ? ? ? ? 1137 HOH C O 1 +HETATM 24360 O O . HOH WB 6 . ? 18.768 24.617 159.379 1.00 33.16 ? ? ? ? ? ? 1146 HOH C O 1 +HETATM 24361 O O . HOH WB 6 . ? 12.478 12.261 188.764 1.00 33.22 ? ? ? ? ? ? 1157 HOH C O 1 +HETATM 24362 O O . HOH WB 6 . ? 38.176 25.551 169.608 1.00 36.07 ? ? ? ? ? ? 1168 HOH C O 1 +HETATM 24363 O O . HOH WB 6 . ? 32.352 22.805 176.680 1.00 29.89 ? ? ? ? ? ? 1177 HOH C O 1 +HETATM 24364 O O . HOH WB 6 . ? 28.112 -0.156 192.267 1.00 33.18 ? ? ? ? ? ? 1183 HOH C O 1 +HETATM 24365 O O . HOH WB 6 . ? 7.740 10.347 184.781 1.00 33.70 ? ? ? ? ? ? 1189 HOH C O 1 +HETATM 24366 O O . HOH WB 6 . ? 4.174 -0.746 178.093 1.00 31.20 ? ? ? ? ? ? 1191 HOH C O 1 +HETATM 24367 O O . HOH WB 6 . ? 35.284 12.994 186.999 1.00 34.28 ? ? ? ? ? ? 1210 HOH C O 1 +HETATM 24368 O O . HOH WB 6 . ? -1.200 12.455 164.926 1.00 35.09 ? ? ? ? ? ? 1226 HOH C O 1 +HETATM 24369 O O . HOH WB 6 . ? -5.648 -0.805 164.787 1.00 32.66 ? ? ? ? ? ? 1266 HOH C O 1 +HETATM 24370 O O . HOH WB 6 . ? 0.342 13.945 152.318 1.00 34.37 ? ? ? ? ? ? 1291 HOH C O 1 +HETATM 24371 O O . HOH WB 6 . ? -0.826 10.484 160.891 1.00 30.53 ? ? ? ? ? ? 1293 HOH C O 1 +HETATM 24372 O O . HOH WB 6 . ? 7.602 16.129 150.339 1.00 33.58 ? ? ? ? ? ? 1302 HOH C O 1 +HETATM 24373 O O . HOH WB 6 . ? 13.840 -2.056 171.565 1.00 31.89 ? ? ? ? ? ? 1311 HOH C O 1 +HETATM 24374 O O . HOH WB 6 . ? 20.233 -2.466 169.346 1.00 32.61 ? ? ? ? ? ? 1320 HOH C O 1 +HETATM 24375 O O . HOH WB 6 . ? 30.777 15.950 170.858 1.00 34.01 ? ? ? ? ? ? 1329 HOH C O 1 +HETATM 24376 O O . HOH WB 6 . ? 40.144 8.856 189.097 1.00 34.06 ? ? ? ? ? ? 1343 HOH C O 1 +HETATM 24377 O O . HOH WB 6 . ? 42.096 19.738 162.999 1.00 34.32 ? ? ? ? ? ? 1352 HOH C O 1 +HETATM 24378 O O . HOH WB 6 . ? 28.595 21.398 153.576 1.00 35.68 ? ? ? ? ? ? 1357 HOH C O 1 +HETATM 24379 O O . HOH WB 6 . ? 13.933 18.630 179.773 1.00 39.84 ? ? ? ? ? ? 1364 HOH C O 1 +HETATM 24380 O O . HOH WB 6 . ? 5.602 28.117 159.449 1.00 35.21 ? ? ? ? ? ? 1366 HOH C O 1 +HETATM 24381 O O . HOH WB 6 . ? 14.216 15.991 149.778 1.00 34.17 ? ? ? ? ? ? 1378 HOH C O 1 +HETATM 24382 O O . HOH WB 6 . ? -1.950 18.775 157.264 1.00 34.27 ? ? ? ? ? ? 1397 HOH C O 1 +HETATM 24383 O O . HOH WB 6 . ? 20.662 -2.510 160.173 1.00 34.46 ? ? ? ? ? ? 1435 HOH C O 1 +HETATM 24384 O O . HOH WB 6 . ? 12.786 1.195 183.810 1.00 36.13 ? ? ? ? ? ? 1447 HOH C O 1 +HETATM 24385 O O . HOH WB 6 . ? 23.023 -1.298 166.477 1.00 35.64 ? ? ? ? ? ? 1456 HOH C O 1 +HETATM 24386 O O . HOH WB 6 . ? -0.751 -5.875 161.777 1.00 38.43 ? ? ? ? ? ? 1480 HOH C O 1 +HETATM 24387 O O . HOH WB 6 . ? 9.519 6.255 189.084 1.00 36.76 ? ? ? ? ? ? 1482 HOH C O 1 +HETATM 24388 O O . HOH WB 6 . ? 9.157 17.825 149.645 1.00 34.13 ? ? ? ? ? ? 1508 HOH C O 1 +HETATM 24389 O O . HOH WB 6 . ? 25.784 -7.022 183.633 1.00 34.98 ? ? ? ? ? ? 1530 HOH C O 1 +HETATM 24390 O O . HOH WB 6 . ? 18.051 -0.898 166.120 1.00 33.03 ? ? ? ? ? ? 1532 HOH C O 1 +HETATM 24391 O O . HOH WB 6 . ? -1.092 8.791 159.080 1.00 36.21 ? ? ? ? ? ? 1547 HOH C O 1 +HETATM 24392 O O . HOH WB 6 . ? 16.275 22.677 157.766 1.00 36.68 ? ? ? ? ? ? 1548 HOH C O 1 +HETATM 24393 O O . HOH WB 6 . ? 3.805 29.234 173.211 1.00 35.01 ? ? ? ? ? ? 1551 HOH C O 1 +HETATM 24394 O O . HOH WB 6 . ? -0.751 -8.245 160.004 1.00 39.20 ? ? ? ? ? ? 1576 HOH C O 1 +HETATM 24395 O O . HOH WB 6 . ? 16.480 -5.379 179.361 1.00 36.32 ? ? ? ? ? ? 1599 HOH C O 1 +HETATM 24396 O O . HOH WB 6 . ? 20.113 2.413 161.667 1.00 34.28 ? ? ? ? ? ? 1607 HOH C O 1 +HETATM 24397 O O . HOH WB 6 . ? 15.852 23.929 175.057 1.00 38.12 ? ? ? ? ? ? 1627 HOH C O 1 +HETATM 24398 O O . HOH WB 6 . ? 16.672 14.319 188.944 1.00 40.45 ? ? ? ? ? ? 1629 HOH C O 1 +HETATM 24399 O O . HOH WB 6 . ? 17.896 -2.759 170.916 1.00 38.48 ? ? ? ? ? ? 1663 HOH C O 1 +HETATM 24400 O O . HOH WB 6 . ? -0.388 21.203 165.262 1.00 35.90 ? ? ? ? ? ? 1681 HOH C O 1 +HETATM 24401 O O . HOH WB 6 . ? 17.870 -4.280 186.763 1.00 40.26 ? ? ? ? ? ? 1693 HOH C O 1 +HETATM 24402 O O . HOH WB 6 . ? 18.490 -4.388 184.299 1.00 40.03 ? ? ? ? ? ? 1698 HOH C O 1 +HETATM 24403 O O . HOH WB 6 . ? 38.728 14.787 186.416 1.00 36.03 ? ? ? ? ? ? 1707 HOH C O 1 +HETATM 24404 O O . HOH WB 6 . ? 16.455 21.615 173.619 1.00 38.69 ? ? ? ? ? ? 1746 HOH C O 1 +HETATM 24405 O O . HOH WB 6 . ? 26.822 33.353 178.979 1.00 41.50 ? ? ? ? ? ? 1750 HOH C O 1 +HETATM 24406 O O . HOH WB 6 . ? -3.061 12.620 177.004 1.00 38.02 ? ? ? ? ? ? 1759 HOH C O 1 +HETATM 24407 O O . HOH WB 6 . ? 19.995 21.818 170.815 1.00 41.81 ? ? ? ? ? ? 1782 HOH C O 1 +HETATM 24408 O O . HOH WB 6 . ? -6.879 -0.938 150.094 1.00 36.84 ? ? ? ? ? ? 1787 HOH C O 1 +HETATM 24409 O O . HOH WB 6 . ? 15.762 -0.533 189.479 1.00 41.01 ? ? ? ? ? ? 1794 HOH C O 1 +HETATM 24410 O O . HOH WB 6 . ? 42.780 19.998 170.010 1.00 38.94 ? ? ? ? ? ? 1796 HOH C O 1 +HETATM 24411 O O . HOH WB 6 . ? 4.691 12.393 183.093 1.00 40.89 ? ? ? ? ? ? 1850 HOH C O 1 +HETATM 24412 O O . HOH WB 6 . ? 18.819 -0.266 163.227 1.00 40.24 ? ? ? ? ? ? 1869 HOH C O 1 +HETATM 24413 O O . HOH WB 6 . ? 1.683 21.964 163.035 1.00 39.87 ? ? ? ? ? ? 1882 HOH C O 1 +HETATM 24414 O O . HOH WB 6 . ? 13.360 30.068 154.652 1.00 41.11 ? ? ? ? ? ? 1888 HOH C O 1 +HETATM 24415 O O . HOH WB 6 . ? 25.647 15.270 185.592 1.00 40.55 ? ? ? ? ? ? 1896 HOH C O 1 +HETATM 24416 O O . HOH WB 6 . ? 10.863 8.321 190.056 1.00 41.52 ? ? ? ? ? ? 1898 HOH C O 1 +HETATM 24417 O O . HOH WB 6 . ? 5.066 17.033 150.423 1.00 40.71 ? ? ? ? ? ? 1901 HOH C O 1 +HETATM 24418 O O . HOH WB 6 . ? 37.545 9.405 188.799 1.00 38.19 ? ? ? ? ? ? 1909 HOH C O 1 +HETATM 24419 O O . HOH WB 6 . ? 22.438 -3.310 169.994 1.00 40.67 ? ? ? ? ? ? 1927 HOH C O 1 +HETATM 24420 O O . HOH WB 6 . ? 1.077 13.193 179.420 1.00 42.02 ? ? ? ? ? ? 1942 HOH C O 1 +HETATM 24421 O O . HOH WB 6 . ? 17.497 -4.571 165.735 1.00 40.19 ? ? ? ? ? ? 1943 HOH C O 1 +HETATM 24422 O O . HOH WB 6 . ? -4.942 -3.603 164.869 1.00 43.37 ? ? ? ? ? ? 1945 HOH C O 1 +HETATM 24423 O O . HOH WB 6 . ? 40.763 2.203 185.446 1.00 41.05 ? ? ? ? ? ? 1968 HOH C O 1 +HETATM 24424 O O . HOH WB 6 . ? -5.082 -2.478 150.931 1.00 37.78 ? ? ? ? ? ? 1976 HOH C O 1 +HETATM 24425 O O . HOH WB 6 . ? 22.204 -7.586 184.088 1.00 43.27 ? ? ? ? ? ? 1977 HOH C O 1 +HETATM 24426 O O . HOH WB 6 . ? 32.258 21.808 154.581 1.00 39.87 ? ? ? ? ? ? 1983 HOH C O 1 +HETATM 24427 O O . HOH WB 6 . ? 0.126 0.378 180.671 1.00 38.84 ? ? ? ? ? ? 1984 HOH C O 1 +HETATM 24428 O O . HOH WB 6 . ? -4.605 3.978 166.521 1.00 43.40 ? ? ? ? ? ? 1989 HOH C O 1 +HETATM 24429 O O . HOH WB 6 . ? 21.003 0.323 160.189 1.00 42.73 ? ? ? ? ? ? 1991 HOH C O 1 +HETATM 24430 O O . HOH WB 6 . ? -1.230 19.147 154.062 1.00 44.16 ? ? ? ? ? ? 1995 HOH C O 1 +HETATM 24431 O O . HOH WB 6 . ? 12.439 -4.260 171.512 1.00 38.33 ? ? ? ? ? ? 2002 HOH C O 1 +HETATM 24432 O O . HOH WB 6 . ? 29.373 16.156 173.024 1.00 43.60 ? ? ? ? ? ? 2004 HOH C O 1 +HETATM 24433 O O . HOH WB 6 . ? 35.369 23.178 181.909 1.00 47.71 ? ? ? ? ? ? 2025 HOH C O 1 +HETATM 24434 O O . HOH WB 6 . ? 14.352 20.839 152.019 1.00 39.69 ? ? ? ? ? ? 2044 HOH C O 1 +HETATM 24435 O O . HOH WB 6 . ? 28.398 14.254 175.800 1.00 43.95 ? ? ? ? ? ? 2053 HOH C O 1 +HETATM 24436 O O . HOH WB 6 . ? 39.562 18.667 157.757 1.00 43.11 ? ? ? ? ? ? 2080 HOH C O 1 +HETATM 24437 O O . HOH WB 6 . ? 28.932 -5.670 186.049 1.00 44.14 ? ? ? ? ? ? 2100 HOH C O 1 +HETATM 24438 O O . HOH WB 6 . ? 10.210 -4.237 172.636 1.00 41.31 ? ? ? ? ? ? 2115 HOH C O 1 +HETATM 24439 O O . HOH WB 6 . ? 22.582 17.783 179.670 1.00 50.23 ? ? ? ? ? ? 2117 HOH C O 1 +HETATM 24440 O O . HOH WB 6 . ? 23.496 14.824 181.760 1.00 41.96 ? ? ? ? ? ? 2121 HOH C O 1 +HETATM 24441 O O . HOH WB 6 . ? -8.089 0.191 165.733 1.00 39.82 ? ? ? ? ? ? 2135 HOH C O 1 +HETATM 24442 O O . HOH WB 6 . ? 40.464 -0.014 182.848 1.00 47.30 ? ? ? ? ? ? 2147 HOH C O 1 +HETATM 24443 O O . HOH WB 6 . ? 15.488 21.338 178.666 1.00 45.58 ? ? ? ? ? ? 2157 HOH C O 1 +HETATM 24444 O O . HOH WB 6 . ? -8.061 17.733 171.244 1.00 47.52 ? ? ? ? ? ? 2161 HOH C O 1 +HETATM 24445 O O . HOH WB 6 . ? 9.588 21.772 150.480 1.00 44.72 ? ? ? ? ? ? 2163 HOH C O 1 +HETATM 24446 O O . HOH WB 6 . ? 31.294 19.797 150.377 1.00 44.41 ? ? ? ? ? ? 2165 HOH C O 1 +HETATM 24447 O O . HOH WB 6 . ? 17.983 21.675 150.397 1.00 45.83 ? ? ? ? ? ? 2176 HOH C O 1 +HETATM 24448 O O . HOH WB 6 . ? -6.314 6.138 168.749 1.00 48.10 ? ? ? ? ? ? 2233 HOH C O 1 +HETATM 24449 O O . HOH WB 6 . ? 11.670 27.756 153.357 1.00 47.66 ? ? ? ? ? ? 2236 HOH C O 1 +HETATM 24450 O O . HOH WB 6 . ? -9.334 16.248 169.393 1.00 48.89 ? ? ? ? ? ? 2245 HOH C O 1 +HETATM 24451 O O A HOH WB 6 . ? 1.720 6.400 153.443 0.50 7.50 ? ? ? ? ? ? 2246 HOH C O 1 +HETATM 24452 O O B HOH WB 6 . ? 1.228 6.227 155.076 0.50 9.70 ? ? ? ? ? ? 2246 HOH C O 1 +HETATM 24453 O O . HOH XB 6 . ? 26.925 7.547 140.086 1.00 13.52 ? ? ? ? ? ? 259 HOH D O 1 +HETATM 24454 O O . HOH XB 6 . ? 10.306 -8.155 159.567 1.00 23.44 ? ? ? ? ? ? 260 HOH D O 1 +HETATM 24455 O O . HOH XB 6 . ? 16.371 4.551 152.191 1.00 14.29 ? ? ? ? ? ? 261 HOH D O 1 +HETATM 24456 O O . HOH XB 6 . ? 16.294 -2.103 153.096 1.00 13.34 ? ? ? ? ? ? 262 HOH D O 1 +HETATM 24457 O O . HOH XB 6 . ? 8.569 -5.233 154.074 1.00 14.90 ? ? ? ? ? ? 263 HOH D O 1 +HETATM 24458 O O . HOH XB 6 . ? 18.889 9.821 144.953 1.00 15.98 ? ? ? ? ? ? 264 HOH D O 1 +HETATM 24459 O O . HOH XB 6 . ? 16.517 -24.490 154.974 1.00 17.24 ? ? ? ? ? ? 265 HOH D O 1 +HETATM 24460 O O . HOH XB 6 . ? 8.953 -9.990 146.300 1.00 17.03 ? ? ? ? ? ? 266 HOH D O 1 +HETATM 24461 O O . HOH XB 6 . ? 37.897 7.704 145.476 1.00 16.38 ? ? ? ? ? ? 267 HOH D O 1 +HETATM 24462 O O . HOH XB 6 . ? 38.916 5.244 144.526 1.00 16.01 ? ? ? ? ? ? 268 HOH D O 1 +HETATM 24463 O O . HOH XB 6 . ? 14.282 -22.832 155.602 1.00 16.38 ? ? ? ? ? ? 269 HOH D O 1 +HETATM 24464 O O . HOH XB 6 . ? 10.293 -22.263 150.343 1.00 19.34 ? ? ? ? ? ? 270 HOH D O 1 +HETATM 24465 O O . HOH XB 6 . ? 12.879 8.535 141.822 1.00 17.08 ? ? ? ? ? ? 271 HOH D O 1 +HETATM 24466 O O . HOH XB 6 . ? 28.776 -4.983 142.225 1.00 19.50 ? ? ? ? ? ? 272 HOH D O 1 +HETATM 24467 O O . HOH XB 6 . ? 4.434 -0.718 146.069 1.00 21.82 ? ? ? ? ? ? 273 HOH D O 1 +HETATM 24468 O O . HOH XB 6 . ? 12.570 -17.612 158.715 1.00 23.46 ? ? ? ? ? ? 274 HOH D O 1 +HETATM 24469 O O . HOH XB 6 . ? 12.269 -14.086 143.221 1.00 16.64 ? ? ? ? ? ? 275 HOH D O 1 +HETATM 24470 O O . HOH XB 6 . ? 10.679 -18.371 144.596 1.00 18.86 ? ? ? ? ? ? 276 HOH D O 1 +HETATM 24471 O O . HOH XB 6 . ? 26.040 -19.060 139.776 1.00 18.05 ? ? ? ? ? ? 277 HOH D O 1 +HETATM 24472 O O . HOH XB 6 . ? 9.493 -21.034 156.968 1.00 21.10 ? ? ? ? ? ? 278 HOH D O 1 +HETATM 24473 O O . HOH XB 6 . ? 28.945 -2.678 161.871 1.00 18.99 ? ? ? ? ? ? 279 HOH D O 1 +HETATM 24474 O O . HOH XB 6 . ? 14.377 0.771 130.974 1.00 18.05 ? ? ? ? ? ? 280 HOH D O 1 +HETATM 24475 O O . HOH XB 6 . ? 15.671 -10.864 145.980 1.00 19.79 ? ? ? ? ? ? 281 HOH D O 1 +HETATM 24476 O O . HOH XB 6 . ? 7.843 -11.254 158.294 1.00 20.31 ? ? ? ? ? ? 282 HOH D O 1 +HETATM 24477 O O . HOH XB 6 . ? 13.203 0.846 119.731 1.00 22.39 ? ? ? ? ? ? 283 HOH D O 1 +HETATM 24478 O O . HOH XB 6 . ? 21.076 -21.245 158.115 1.00 20.06 ? ? ? ? ? ? 284 HOH D O 1 +HETATM 24479 O O . HOH XB 6 . ? 39.140 8.977 147.450 1.00 19.94 ? ? ? ? ? ? 285 HOH D O 1 +HETATM 24480 O O . HOH XB 6 . ? 23.420 7.049 144.896 1.00 21.60 ? ? ? ? ? ? 286 HOH D O 1 +HETATM 24481 O O . HOH XB 6 . ? 29.727 16.323 143.267 1.00 19.84 ? ? ? ? ? ? 287 HOH D O 1 +HETATM 24482 O O . HOH XB 6 . ? 20.435 -6.588 150.092 1.00 20.72 ? ? ? ? ? ? 288 HOH D O 1 +HETATM 24483 O O . HOH XB 6 . ? 16.514 -4.563 147.347 1.00 18.41 ? ? ? ? ? ? 289 HOH D O 1 +HETATM 24484 O O . HOH XB 6 . ? 32.223 13.462 138.588 1.00 20.45 ? ? ? ? ? ? 290 HOH D O 1 +HETATM 24485 O O . HOH XB 6 . ? 20.470 2.199 140.190 1.00 21.39 ? ? ? ? ? ? 291 HOH D O 1 +HETATM 24486 O O . HOH XB 6 . ? 15.412 -1.959 145.720 1.00 23.94 ? ? ? ? ? ? 292 HOH D O 1 +HETATM 24487 O O . HOH XB 6 . ? 28.687 -0.026 168.768 1.00 22.88 ? ? ? ? ? ? 293 HOH D O 1 +HETATM 24488 O O . HOH XB 6 . ? 39.599 -8.839 158.606 1.00 22.65 ? ? ? ? ? ? 294 HOH D O 1 +HETATM 24489 O O . HOH XB 6 . ? 18.172 -3.581 145.858 1.00 21.28 ? ? ? ? ? ? 295 HOH D O 1 +HETATM 24490 O O . HOH XB 6 . ? 33.439 15.303 146.902 1.00 20.94 ? ? ? ? ? ? 296 HOH D O 1 +HETATM 24491 O O . HOH XB 6 . ? 20.540 6.431 142.227 1.00 22.55 ? ? ? ? ? ? 315 HOH D O 1 +HETATM 24492 O O . HOH XB 6 . ? 45.226 0.909 162.334 1.00 22.56 ? ? ? ? ? ? 322 HOH D O 1 +HETATM 24493 O O . HOH XB 6 . ? 20.890 8.644 143.885 1.00 23.42 ? ? ? ? ? ? 335 HOH D O 1 +HETATM 24494 O O . HOH XB 6 . ? 19.413 -19.623 159.743 1.00 24.61 ? ? ? ? ? ? 337 HOH D O 1 +HETATM 24495 O O . HOH XB 6 . ? 35.434 16.246 158.843 1.00 22.85 ? ? ? ? ? ? 342 HOH D O 1 +HETATM 24496 O O . HOH XB 6 . ? 24.883 0.055 144.869 1.00 22.18 ? ? ? ? ? ? 344 HOH D O 1 +HETATM 24497 O O . HOH XB 6 . ? 49.045 2.602 142.692 1.00 22.58 ? ? ? ? ? ? 346 HOH D O 1 +HETATM 24498 O O . HOH XB 6 . ? 19.280 0.848 129.641 1.00 24.25 ? ? ? ? ? ? 360 HOH D O 1 +HETATM 24499 O O . HOH XB 6 . ? 11.798 13.321 148.798 1.00 22.62 ? ? ? ? ? ? 367 HOH D O 1 +HETATM 24500 O O . HOH XB 6 . ? 27.939 -12.052 160.118 1.00 24.66 ? ? ? ? ? ? 381 HOH D O 1 +HETATM 24501 O O . HOH XB 6 . ? 9.372 -14.496 140.043 1.00 21.54 ? ? ? ? ? ? 395 HOH D O 1 +HETATM 24502 O O . HOH XB 6 . ? 28.997 4.334 159.103 1.00 22.02 ? ? ? ? ? ? 398 HOH D O 1 +HETATM 24503 O O . HOH XB 6 . ? 28.215 2.077 142.448 1.00 24.33 ? ? ? ? ? ? 407 HOH D O 1 +HETATM 24504 O O . HOH XB 6 . ? 7.628 -10.112 139.312 1.00 23.00 ? ? ? ? ? ? 408 HOH D O 1 +HETATM 24505 O O . HOH XB 6 . ? 6.769 -22.119 152.729 1.00 23.07 ? ? ? ? ? ? 410 HOH D O 1 +HETATM 24506 O O . HOH XB 6 . ? 21.288 -21.909 147.003 1.00 24.31 ? ? ? ? ? ? 423 HOH D O 1 +HETATM 24507 O O . HOH XB 6 . ? 26.224 15.752 145.035 1.00 23.06 ? ? ? ? ? ? 431 HOH D O 1 +HETATM 24508 O O . HOH XB 6 . ? 20.585 18.884 147.458 1.00 24.06 ? ? ? ? ? ? 437 HOH D O 1 +HETATM 24509 O O . HOH XB 6 . ? 47.567 2.201 146.049 1.00 22.62 ? ? ? ? ? ? 439 HOH D O 1 +HETATM 24510 O O . HOH XB 6 . ? 28.182 -22.819 148.174 1.00 23.02 ? ? ? ? ? ? 442 HOH D O 1 +HETATM 24511 O O . HOH XB 6 . ? 45.114 3.683 149.473 1.00 27.93 ? ? ? ? ? ? 450 HOH D O 1 +HETATM 24512 O O . HOH XB 6 . ? 27.304 -10.058 161.958 1.00 22.73 ? ? ? ? ? ? 492 HOH D O 1 +HETATM 24513 O O . HOH XB 6 . ? 27.032 -17.977 156.683 1.00 25.06 ? ? ? ? ? ? 501 HOH D O 1 +HETATM 24514 O O . HOH XB 6 . ? 10.098 8.712 135.700 1.00 23.46 ? ? ? ? ? ? 507 HOH D O 1 +HETATM 24515 O O . HOH XB 6 . ? 3.657 -9.408 157.224 1.00 25.81 ? ? ? ? ? ? 520 HOH D O 1 +HETATM 24516 O O . HOH XB 6 . ? 36.510 -17.541 159.333 1.00 23.93 ? ? ? ? ? ? 530 HOH D O 1 +HETATM 24517 O O . HOH XB 6 . ? 29.013 -16.203 139.543 1.00 24.72 ? ? ? ? ? ? 534 HOH D O 1 +HETATM 24518 O O . HOH XB 6 . ? 21.067 17.274 149.980 1.00 25.78 ? ? ? ? ? ? 562 HOH D O 1 +HETATM 24519 O O . HOH XB 6 . ? 10.591 -14.339 165.339 1.00 25.00 ? ? ? ? ? ? 576 HOH D O 1 +HETATM 24520 O O . HOH XB 6 . ? 5.563 0.884 123.353 1.00 24.48 ? ? ? ? ? ? 592 HOH D O 1 +HETATM 24521 O O . HOH XB 6 . ? 52.209 -5.739 147.329 1.00 26.87 ? ? ? ? ? ? 615 HOH D O 1 +HETATM 24522 O O . HOH XB 6 . ? 7.361 -4.213 125.857 1.00 27.31 ? ? ? ? ? ? 626 HOH D O 1 +HETATM 24523 O O . HOH XB 6 . ? 38.531 -14.493 162.502 1.00 27.71 ? ? ? ? ? ? 644 HOH D O 1 +HETATM 24524 O O . HOH XB 6 . ? 29.189 -9.222 165.315 1.00 29.34 ? ? ? ? ? ? 649 HOH D O 1 +HETATM 24525 O O . HOH XB 6 . ? 45.822 1.408 147.638 1.00 24.65 ? ? ? ? ? ? 655 HOH D O 1 +HETATM 24526 O O . HOH XB 6 . ? 6.657 -18.397 158.362 1.00 26.41 ? ? ? ? ? ? 657 HOH D O 1 +HETATM 24527 O O . HOH XB 6 . ? 10.071 -18.150 157.528 1.00 27.92 ? ? ? ? ? ? 660 HOH D O 1 +HETATM 24528 O O . HOH XB 6 . ? 22.891 -4.516 160.722 1.00 27.42 ? ? ? ? ? ? 669 HOH D O 1 +HETATM 24529 O O . HOH XB 6 . ? 49.397 -3.480 138.204 1.00 27.87 ? ? ? ? ? ? 676 HOH D O 1 +HETATM 24530 O O . HOH XB 6 . ? 21.031 -1.381 125.965 1.00 27.33 ? ? ? ? ? ? 678 HOH D O 1 +HETATM 24531 O O . HOH XB 6 . ? 7.682 -12.879 139.223 1.00 27.02 ? ? ? ? ? ? 683 HOH D O 1 +HETATM 24532 O O . HOH XB 6 . ? 21.219 1.439 125.869 1.00 27.66 ? ? ? ? ? ? 718 HOH D O 1 +HETATM 24533 O O . HOH XB 6 . ? 27.597 0.162 143.901 1.00 27.42 ? ? ? ? ? ? 719 HOH D O 1 +HETATM 24534 O O . HOH XB 6 . ? 26.087 -6.557 164.900 1.00 28.17 ? ? ? ? ? ? 720 HOH D O 1 +HETATM 24535 O O . HOH XB 6 . ? 43.448 -0.438 135.112 1.00 27.84 ? ? ? ? ? ? 722 HOH D O 1 +HETATM 24536 O O . HOH XB 6 . ? 33.774 -16.133 158.287 1.00 28.42 ? ? ? ? ? ? 733 HOH D O 1 +HETATM 24537 O O . HOH XB 6 . ? 14.667 1.649 144.638 1.00 29.97 ? ? ? ? ? ? 737 HOH D O 1 +HETATM 24538 O O . HOH XB 6 . ? 10.687 -24.349 148.914 1.00 29.43 ? ? ? ? ? ? 758 HOH D O 1 +HETATM 24539 O O . HOH XB 6 . ? 23.736 -0.559 141.745 1.00 27.32 ? ? ? ? ? ? 760 HOH D O 1 +HETATM 24540 O O . HOH XB 6 . ? 4.244 -23.628 153.128 1.00 27.47 ? ? ? ? ? ? 771 HOH D O 1 +HETATM 24541 O O . HOH XB 6 . ? 35.327 14.895 152.663 1.00 29.16 ? ? ? ? ? ? 791 HOH D O 1 +HETATM 24542 O O . HOH XB 6 . ? 28.297 18.114 150.733 1.00 28.17 ? ? ? ? ? ? 800 HOH D O 1 +HETATM 24543 O O . HOH XB 6 . ? 44.469 1.912 155.436 1.00 27.29 ? ? ? ? ? ? 815 HOH D O 1 +HETATM 24544 O O . HOH XB 6 . ? 26.143 -12.063 144.874 1.00 29.40 ? ? ? ? ? ? 819 HOH D O 1 +HETATM 24545 O O . HOH XB 6 . ? 13.885 0.461 135.154 1.00 27.02 ? ? ? ? ? ? 820 HOH D O 1 +HETATM 24546 O O . HOH XB 6 . ? 47.661 5.954 150.484 1.00 29.64 ? ? ? ? ? ? 867 HOH D O 1 +HETATM 24547 O O . HOH XB 6 . ? 44.577 9.113 142.982 1.00 31.99 ? ? ? ? ? ? 879 HOH D O 1 +HETATM 24548 O O . HOH XB 6 . ? 34.468 17.242 150.868 1.00 43.64 ? ? ? ? ? ? 892 HOH D O 1 +HETATM 24549 O O . HOH XB 6 . ? 27.434 -19.820 154.494 1.00 30.99 ? ? ? ? ? ? 901 HOH D O 1 +HETATM 24550 O O . HOH XB 6 . ? 10.686 -15.850 161.869 1.00 30.88 ? ? ? ? ? ? 923 HOH D O 1 +HETATM 24551 O O . HOH XB 6 . ? 4.427 -6.659 143.862 1.00 28.11 ? ? ? ? ? ? 926 HOH D O 1 +HETATM 24552 O O . HOH XB 6 . ? 5.423 -13.128 140.794 1.00 30.11 ? ? ? ? ? ? 934 HOH D O 1 +HETATM 24553 O O . HOH XB 6 . ? 20.043 -19.428 162.452 1.00 29.51 ? ? ? ? ? ? 948 HOH D O 1 +HETATM 24554 O O . HOH XB 6 . ? 33.200 -18.591 152.547 1.00 29.59 ? ? ? ? ? ? 969 HOH D O 1 +HETATM 24555 O O . HOH XB 6 . ? 48.817 7.835 152.347 1.00 32.03 ? ? ? ? ? ? 972 HOH D O 1 +HETATM 24556 O O . HOH XB 6 . ? 33.505 17.311 145.074 1.00 28.43 ? ? ? ? ? ? 979 HOH D O 1 +HETATM 24557 O O . HOH XB 6 . ? 16.073 -27.308 151.639 1.00 32.87 ? ? ? ? ? ? 1001 HOH D O 1 +HETATM 24558 O O . HOH XB 6 . ? 8.746 -18.346 160.001 1.00 27.89 ? ? ? ? ? ? 1004 HOH D O 1 +HETATM 24559 O O . HOH XB 6 . ? 43.284 1.001 166.172 1.00 32.00 ? ? ? ? ? ? 1011 HOH D O 1 +HETATM 24560 O O . HOH XB 6 . ? 42.119 -13.445 146.408 1.00 32.22 ? ? ? ? ? ? 1045 HOH D O 1 +HETATM 24561 O O . HOH XB 6 . ? 17.249 19.296 146.081 1.00 30.92 ? ? ? ? ? ? 1053 HOH D O 1 +HETATM 24562 O O . HOH XB 6 . ? 6.409 -20.663 150.444 1.00 28.80 ? ? ? ? ? ? 1054 HOH D O 1 +HETATM 24563 O O . HOH XB 6 . ? 43.571 11.276 141.988 1.00 29.26 ? ? ? ? ? ? 1066 HOH D O 1 +HETATM 24564 O O . HOH XB 6 . ? 1.806 -9.878 143.581 1.00 29.30 ? ? ? ? ? ? 1088 HOH D O 1 +HETATM 24565 O O . HOH XB 6 . ? 45.966 11.154 158.165 1.00 32.86 ? ? ? ? ? ? 1092 HOH D O 1 +HETATM 24566 O O . HOH XB 6 . ? 17.858 -8.469 145.268 1.00 31.43 ? ? ? ? ? ? 1101 HOH D O 1 +HETATM 24567 O O . HOH XB 6 . ? -0.595 2.314 144.183 1.00 32.65 ? ? ? ? ? ? 1119 HOH D O 1 +HETATM 24568 O O . HOH XB 6 . ? 34.485 -6.128 175.471 1.00 33.04 ? ? ? ? ? ? 1133 HOH D O 1 +HETATM 24569 O O . HOH XB 6 . ? 42.206 1.642 155.541 1.00 35.05 ? ? ? ? ? ? 1155 HOH D O 1 +HETATM 24570 O O . HOH XB 6 . ? 23.831 -12.840 161.650 1.00 30.37 ? ? ? ? ? ? 1167 HOH D O 1 +HETATM 24571 O O . HOH XB 6 . ? 5.398 -18.103 151.116 1.00 33.11 ? ? ? ? ? ? 1171 HOH D O 1 +HETATM 24572 O O . HOH XB 6 . ? 17.077 -25.624 150.091 1.00 32.84 ? ? ? ? ? ? 1175 HOH D O 1 +HETATM 24573 O O . HOH XB 6 . ? 6.899 9.265 143.137 1.00 31.17 ? ? ? ? ? ? 1178 HOH D O 1 +HETATM 24574 O O . HOH XB 6 . ? -3.004 0.029 143.337 1.00 34.01 ? ? ? ? ? ? 1188 HOH D O 1 +HETATM 24575 O O . HOH XB 6 . ? 0.386 -12.308 146.431 1.00 34.74 ? ? ? ? ? ? 1200 HOH D O 1 +HETATM 24576 O O . HOH XB 6 . ? -2.070 1.092 140.259 1.00 32.75 ? ? ? ? ? ? 1204 HOH D O 1 +HETATM 24577 O O . HOH XB 6 . ? 17.162 -9.658 165.524 1.00 34.09 ? ? ? ? ? ? 1205 HOH D O 1 +HETATM 24578 O O . HOH XB 6 . ? 36.300 16.819 143.519 1.00 33.94 ? ? ? ? ? ? 1211 HOH D O 1 +HETATM 24579 O O . HOH XB 6 . ? 33.818 16.803 155.991 1.00 34.88 ? ? ? ? ? ? 1218 HOH D O 1 +HETATM 24580 O O . HOH XB 6 . ? -0.287 -1.507 141.478 1.00 33.02 ? ? ? ? ? ? 1232 HOH D O 1 +HETATM 24581 O O . HOH XB 6 . ? 3.440 1.939 145.586 1.00 33.69 ? ? ? ? ? ? 1242 HOH D O 1 +HETATM 24582 O O . HOH XB 6 . ? 27.318 4.690 139.871 1.00 33.87 ? ? ? ? ? ? 1246 HOH D O 1 +HETATM 24583 O O . HOH XB 6 . ? 21.350 -12.089 144.050 1.00 35.22 ? ? ? ? ? ? 1251 HOH D O 1 +HETATM 24584 O O . HOH XB 6 . ? 15.746 -11.063 138.292 1.00 32.19 ? ? ? ? ? ? 1259 HOH D O 1 +HETATM 24585 O O . HOH XB 6 . ? 45.568 13.219 161.529 1.00 34.96 ? ? ? ? ? ? 1260 HOH D O 1 +HETATM 24586 O O . HOH XB 6 . ? 46.634 -6.235 160.012 1.00 31.55 ? ? ? ? ? ? 1298 HOH D O 1 +HETATM 24587 O O . HOH XB 6 . ? 14.570 -28.696 150.123 1.00 35.14 ? ? ? ? ? ? 1300 HOH D O 1 +HETATM 24588 O O . HOH XB 6 . ? 45.422 -1.121 148.105 1.00 33.94 ? ? ? ? ? ? 1310 HOH D O 1 +HETATM 24589 O O . HOH XB 6 . ? 28.342 -19.447 140.294 1.00 37.12 ? ? ? ? ? ? 1312 HOH D O 1 +HETATM 24590 O O . HOH XB 6 . ? 8.937 -17.383 140.054 1.00 34.29 ? ? ? ? ? ? 1333 HOH D O 1 +HETATM 24591 O O . HOH XB 6 . ? 42.304 7.899 144.720 1.00 36.45 ? ? ? ? ? ? 1335 HOH D O 1 +HETATM 24592 O O . HOH XB 6 . ? 5.896 -20.593 154.262 1.00 29.57 ? ? ? ? ? ? 1336 HOH D O 1 +HETATM 24593 O O . HOH XB 6 . ? 15.456 -3.605 121.637 1.00 37.05 ? ? ? ? ? ? 1374 HOH D O 1 +HETATM 24594 O O . HOH XB 6 . ? 23.215 -22.158 159.617 1.00 33.89 ? ? ? ? ? ? 1377 HOH D O 1 +HETATM 24595 O O . HOH XB 6 . ? 4.436 -17.948 159.924 1.00 33.28 ? ? ? ? ? ? 1379 HOH D O 1 +HETATM 24596 O O . HOH XB 6 . ? 5.748 -10.492 160.844 1.00 31.16 ? ? ? ? ? ? 1390 HOH D O 1 +HETATM 24597 O O . HOH XB 6 . ? 8.814 -19.153 142.604 1.00 34.22 ? ? ? ? ? ? 1402 HOH D O 1 +HETATM 24598 O O . HOH XB 6 . ? 45.062 4.152 161.047 1.00 33.17 ? ? ? ? ? ? 1414 HOH D O 1 +HETATM 24599 O O . HOH XB 6 . ? 29.506 -20.308 142.320 1.00 36.43 ? ? ? ? ? ? 1424 HOH D O 1 +HETATM 24600 O O . HOH XB 6 . ? 17.573 -23.629 139.076 1.00 34.67 ? ? ? ? ? ? 1452 HOH D O 1 +HETATM 24601 O O . HOH XB 6 . ? 30.198 -12.961 163.779 1.00 34.17 ? ? ? ? ? ? 1453 HOH D O 1 +HETATM 24602 O O . HOH XB 6 . ? 53.643 -2.160 145.593 1.00 36.63 ? ? ? ? ? ? 1471 HOH D O 1 +HETATM 24603 O O . HOH XB 6 . ? 20.898 -23.516 131.784 1.00 37.75 ? ? ? ? ? ? 1473 HOH D O 1 +HETATM 24604 O O . HOH XB 6 . ? 13.246 -25.160 147.655 1.00 34.42 ? ? ? ? ? ? 1483 HOH D O 1 +HETATM 24605 O O . HOH XB 6 . ? 47.645 -5.109 165.416 1.00 35.85 ? ? ? ? ? ? 1486 HOH D O 1 +HETATM 24606 O O . HOH XB 6 . ? 4.271 7.218 139.822 1.00 35.70 ? ? ? ? ? ? 1487 HOH D O 1 +HETATM 24607 O O . HOH XB 6 . ? 6.325 -17.227 163.072 1.00 36.80 ? ? ? ? ? ? 1496 HOH D O 1 +HETATM 24608 O O . HOH XB 6 . ? 35.004 -20.242 151.838 1.00 34.72 ? ? ? ? ? ? 1504 HOH D O 1 +HETATM 24609 O O . HOH XB 6 . ? 36.716 18.017 141.389 1.00 37.15 ? ? ? ? ? ? 1509 HOH D O 1 +HETATM 24610 O O . HOH XB 6 . ? 45.346 1.702 158.113 1.00 35.90 ? ? ? ? ? ? 1511 HOH D O 1 +HETATM 24611 O O . HOH XB 6 . ? 9.940 -2.190 134.458 1.00 33.99 ? ? ? ? ? ? 1515 HOH D O 1 +HETATM 24612 O O . HOH XB 6 . ? 3.514 -3.419 128.151 1.00 36.16 ? ? ? ? ? ? 1521 HOH D O 1 +HETATM 24613 O O . HOH XB 6 . ? 2.745 -16.113 159.543 1.00 35.77 ? ? ? ? ? ? 1546 HOH D O 1 +HETATM 24614 O O . HOH XB 6 . ? 56.058 0.717 148.091 1.00 37.88 ? ? ? ? ? ? 1563 HOH D O 1 +HETATM 24615 O O . HOH XB 6 . ? 23.514 -29.036 148.603 1.00 36.58 ? ? ? ? ? ? 1583 HOH D O 1 +HETATM 24616 O O . HOH XB 6 . ? 29.675 -18.477 154.597 1.00 37.15 ? ? ? ? ? ? 1634 HOH D O 1 +HETATM 24617 O O . HOH XB 6 . ? 0.909 -3.964 132.239 1.00 36.50 ? ? ? ? ? ? 1651 HOH D O 1 +HETATM 24618 O O . HOH XB 6 . ? 30.224 18.443 144.742 1.00 37.43 ? ? ? ? ? ? 1653 HOH D O 1 +HETATM 24619 O O . HOH XB 6 . ? 49.172 -13.016 154.812 1.00 36.80 ? ? ? ? ? ? 1655 HOH D O 1 +HETATM 24620 O O . HOH XB 6 . ? 18.508 -18.138 139.131 1.00 36.16 ? ? ? ? ? ? 1670 HOH D O 1 +HETATM 24621 O O . HOH XB 6 . ? 37.577 -12.357 164.635 1.00 36.83 ? ? ? ? ? ? 1684 HOH D O 1 +HETATM 24622 O O . HOH XB 6 . ? 36.894 -16.897 162.400 1.00 40.62 ? ? ? ? ? ? 1717 HOH D O 1 +HETATM 24623 O O . HOH XB 6 . ? 5.060 -10.928 137.124 1.00 39.03 ? ? ? ? ? ? 1730 HOH D O 1 +HETATM 24624 O O . HOH XB 6 . ? 13.531 -2.289 119.452 1.00 37.51 ? ? ? ? ? ? 1736 HOH D O 1 +HETATM 24625 O O . HOH XB 6 . ? 18.694 -21.359 138.662 1.00 39.09 ? ? ? ? ? ? 1749 HOH D O 1 +HETATM 24626 O O . HOH XB 6 . ? 0.850 -0.369 143.706 1.00 39.59 ? ? ? ? ? ? 1752 HOH D O 1 +HETATM 24627 O O . HOH XB 6 . ? 32.871 3.353 134.539 1.00 38.30 ? ? ? ? ? ? 1755 HOH D O 1 +HETATM 24628 O O . HOH XB 6 . ? 32.352 -11.177 140.880 1.00 41.15 ? ? ? ? ? ? 1773 HOH D O 1 +HETATM 24629 O O . HOH XB 6 . ? 8.675 16.750 146.341 1.00 37.37 ? ? ? ? ? ? 1778 HOH D O 1 +HETATM 24630 O O . HOH XB 6 . ? 37.706 -16.326 144.653 1.00 37.36 ? ? ? ? ? ? 1809 HOH D O 1 +HETATM 24631 O O . HOH XB 6 . ? 4.719 -3.149 124.608 1.00 40.84 ? ? ? ? ? ? 1811 HOH D O 1 +HETATM 24632 O O . HOH XB 6 . ? 23.171 2.130 161.310 1.00 38.63 ? ? ? ? ? ? 1838 HOH D O 1 +HETATM 24633 O O . HOH XB 6 . ? 13.279 -2.023 139.583 1.00 38.80 ? ? ? ? ? ? 1848 HOH D O 1 +HETATM 24634 O O . HOH XB 6 . ? 43.446 -11.091 166.326 1.00 40.56 ? ? ? ? ? ? 1857 HOH D O 1 +HETATM 24635 O O . HOH XB 6 . ? 33.777 -9.869 170.790 1.00 43.37 ? ? ? ? ? ? 1861 HOH D O 1 +HETATM 24636 O O . HOH XB 6 . ? 48.608 -10.003 157.839 1.00 43.59 ? ? ? ? ? ? 1865 HOH D O 1 +HETATM 24637 O O . HOH XB 6 . ? 44.331 -15.651 151.161 1.00 39.20 ? ? ? ? ? ? 1879 HOH D O 1 +HETATM 24638 O O . HOH XB 6 . ? 47.318 12.953 152.547 1.00 43.37 ? ? ? ? ? ? 1883 HOH D O 1 +HETATM 24639 O O . HOH XB 6 . ? 8.595 -6.748 129.376 1.00 38.95 ? ? ? ? ? ? 1890 HOH D O 1 +HETATM 24640 O O . HOH XB 6 . ? 34.669 -12.582 168.937 1.00 39.69 ? ? ? ? ? ? 1897 HOH D O 1 +HETATM 24641 O O . HOH XB 6 . ? 24.418 -3.572 162.637 1.00 41.94 ? ? ? ? ? ? 1903 HOH D O 1 +HETATM 24642 O O . HOH XB 6 . ? 41.091 -2.114 134.778 1.00 41.11 ? ? ? ? ? ? 1904 HOH D O 1 +HETATM 24643 O O . HOH XB 6 . ? 29.387 -15.876 136.658 1.00 39.15 ? ? ? ? ? ? 1912 HOH D O 1 +HETATM 24644 O O . HOH XB 6 . ? 57.003 -3.566 139.695 1.00 43.79 ? ? ? ? ? ? 1913 HOH D O 1 +HETATM 24645 O O . HOH XB 6 . ? 24.794 -16.963 134.512 1.00 38.79 ? ? ? ? ? ? 1916 HOH D O 1 +HETATM 24646 O O . HOH XB 6 . ? 6.136 -6.344 127.635 1.00 40.42 ? ? ? ? ? ? 1918 HOH D O 1 +HETATM 24647 O O . HOH XB 6 . ? 1.336 -10.660 154.824 1.00 42.39 ? ? ? ? ? ? 1923 HOH D O 1 +HETATM 24648 O O . HOH XB 6 . ? 18.788 -9.500 143.583 1.00 39.04 ? ? ? ? ? ? 1940 HOH D O 1 +HETATM 24649 O O . HOH XB 6 . ? 1.398 -1.756 133.098 1.00 37.97 ? ? ? ? ? ? 1949 HOH D O 1 +HETATM 24650 O O . HOH XB 6 . ? 26.660 -11.538 138.701 1.00 40.43 ? ? ? ? ? ? 1950 HOH D O 1 +HETATM 24651 O O . HOH XB 6 . ? 18.304 -11.820 139.287 1.00 42.52 ? ? ? ? ? ? 1967 HOH D O 1 +HETATM 24652 O O . HOH XB 6 . ? 52.980 0.939 149.350 1.00 39.89 ? ? ? ? ? ? 2012 HOH D O 1 +HETATM 24653 O O . HOH XB 6 . ? 1.814 -6.295 139.982 1.00 46.46 ? ? ? ? ? ? 2046 HOH D O 1 +HETATM 24654 O O . HOH XB 6 . ? 25.949 -29.073 148.795 1.00 41.50 ? ? ? ? ? ? 2068 HOH D O 1 +HETATM 24655 O O . HOH XB 6 . ? 17.912 -8.462 139.200 1.00 44.75 ? ? ? ? ? ? 2069 HOH D O 1 +HETATM 24656 O O . HOH XB 6 . ? 20.035 -14.628 163.956 1.00 46.02 ? ? ? ? ? ? 2073 HOH D O 1 +HETATM 24657 O O . HOH XB 6 . ? 18.891 -7.398 141.328 1.00 44.33 ? ? ? ? ? ? 2079 HOH D O 1 +HETATM 24658 O O . HOH XB 6 . ? 18.602 0.567 138.550 1.00 46.16 ? ? ? ? ? ? 2093 HOH D O 1 +HETATM 24659 O O . HOH XB 6 . ? 48.420 -7.761 158.564 1.00 44.23 ? ? ? ? ? ? 2101 HOH D O 1 +HETATM 24660 O O . HOH XB 6 . ? 13.974 -19.642 158.757 1.00 46.85 ? ? ? ? ? ? 2146 HOH D O 1 +HETATM 24661 O O . HOH XB 6 . ? 39.619 -15.420 147.420 1.00 47.12 ? ? ? ? ? ? 2150 HOH D O 1 +HETATM 24662 O O . HOH XB 6 . ? 18.014 -24.005 141.732 1.00 45.69 ? ? ? ? ? ? 2193 HOH D O 1 +HETATM 24663 O O . HOH XB 6 . ? 24.259 -11.257 139.467 1.00 41.49 ? ? ? ? ? ? 2194 HOH D O 1 +HETATM 24664 O O . HOH XB 6 . ? 46.402 -10.585 148.519 1.00 48.06 ? ? ? ? ? ? 2200 HOH D O 1 +HETATM 24665 O O . HOH YB 6 . ? 46.748 3.680 125.762 1.00 20.00 ? ? ? ? ? ? 259 HOH E O 1 +HETATM 24666 O O . HOH YB 6 . ? 42.557 12.972 121.271 1.00 12.17 ? ? ? ? ? ? 260 HOH E O 1 +HETATM 24667 O O . HOH YB 6 . ? 20.980 15.303 144.599 1.00 14.41 ? ? ? ? ? ? 261 HOH E O 1 +HETATM 24668 O O . HOH YB 6 . ? 34.929 13.856 124.224 1.00 14.57 ? ? ? ? ? ? 262 HOH E O 1 +HETATM 24669 O O . HOH YB 6 . ? 12.410 9.936 134.714 1.00 16.98 ? ? ? ? ? ? 263 HOH E O 1 +HETATM 24670 O O . HOH YB 6 . ? 37.227 18.328 119.542 1.00 16.76 ? ? ? ? ? ? 264 HOH E O 1 +HETATM 24671 O O . HOH YB 6 . ? 22.037 20.297 118.652 1.00 15.42 ? ? ? ? ? ? 265 HOH E O 1 +HETATM 24672 O O . HOH YB 6 . ? 13.071 12.101 136.194 1.00 16.74 ? ? ? ? ? ? 266 HOH E O 1 +HETATM 24673 O O . HOH YB 6 . ? 24.051 7.938 139.274 1.00 17.04 ? ? ? ? ? ? 267 HOH E O 1 +HETATM 24674 O O . HOH YB 6 . ? 34.556 16.573 130.254 1.00 17.95 ? ? ? ? ? ? 268 HOH E O 1 +HETATM 24675 O O . HOH YB 6 . ? 35.821 3.092 121.244 1.00 16.67 ? ? ? ? ? ? 269 HOH E O 1 +HETATM 24676 O O . HOH YB 6 . ? 38.257 -12.221 145.437 1.00 18.45 ? ? ? ? ? ? 270 HOH E O 1 +HETATM 24677 O O . HOH YB 6 . ? 37.348 4.132 105.788 1.00 18.00 ? ? ? ? ? ? 271 HOH E O 1 +HETATM 24678 O O . HOH YB 6 . ? 27.663 11.713 136.209 1.00 17.32 ? ? ? ? ? ? 272 HOH E O 1 +HETATM 24679 O O . HOH YB 6 . ? 39.755 -1.008 119.866 1.00 17.94 ? ? ? ? ? ? 273 HOH E O 1 +HETATM 24680 O O . HOH YB 6 . ? 24.358 16.768 143.367 1.00 19.54 ? ? ? ? ? ? 274 HOH E O 1 +HETATM 24681 O O . HOH YB 6 . ? 26.358 7.916 130.474 1.00 23.46 ? ? ? ? ? ? 275 HOH E O 1 +HETATM 24682 O O . HOH YB 6 . ? 11.583 14.247 136.126 1.00 20.28 ? ? ? ? ? ? 276 HOH E O 1 +HETATM 24683 O O . HOH YB 6 . ? 22.792 2.678 127.742 1.00 17.86 ? ? ? ? ? ? 277 HOH E O 1 +HETATM 24684 O O . HOH YB 6 . ? 11.834 13.536 115.357 1.00 19.50 ? ? ? ? ? ? 278 HOH E O 1 +HETATM 24685 O O . HOH YB 6 . ? 38.016 10.594 139.352 1.00 21.62 ? ? ? ? ? ? 279 HOH E O 1 +HETATM 24686 O O . HOH YB 6 . ? 43.548 12.978 113.796 1.00 19.06 ? ? ? ? ? ? 280 HOH E O 1 +HETATM 24687 O O . HOH YB 6 . ? 23.437 6.825 133.243 1.00 20.04 ? ? ? ? ? ? 281 HOH E O 1 +HETATM 24688 O O . HOH YB 6 . ? 42.447 3.876 121.667 1.00 21.18 ? ? ? ? ? ? 282 HOH E O 1 +HETATM 24689 O O . HOH YB 6 . ? 41.144 -2.187 115.585 1.00 22.80 ? ? ? ? ? ? 283 HOH E O 1 +HETATM 24690 O O . HOH YB 6 . ? 45.810 -9.124 143.807 1.00 20.69 ? ? ? ? ? ? 284 HOH E O 1 +HETATM 24691 O O . HOH YB 6 . ? 16.131 2.146 110.037 1.00 21.77 ? ? ? ? ? ? 285 HOH E O 1 +HETATM 24692 O O . HOH YB 6 . ? 3.595 21.022 113.870 1.00 22.76 ? ? ? ? ? ? 306 HOH E O 1 +HETATM 24693 O O . HOH YB 6 . ? 7.848 -1.345 135.396 1.00 22.76 ? ? ? ? ? ? 308 HOH E O 1 +HETATM 24694 O O . HOH YB 6 . ? 35.252 -1.731 106.262 1.00 22.60 ? ? ? ? ? ? 312 HOH E O 1 +HETATM 24695 O O . HOH YB 6 . ? 29.291 21.821 141.902 1.00 25.10 ? ? ? ? ? ? 313 HOH E O 1 +HETATM 24696 O O . HOH YB 6 . ? 17.702 17.732 141.605 1.00 23.06 ? ? ? ? ? ? 320 HOH E O 1 +HETATM 24697 O O . HOH YB 6 . ? 30.522 9.472 137.453 1.00 24.92 ? ? ? ? ? ? 331 HOH E O 1 +HETATM 24698 O O . HOH YB 6 . ? 33.186 6.857 126.879 1.00 22.20 ? ? ? ? ? ? 333 HOH E O 1 +HETATM 24699 O O . HOH YB 6 . ? 35.186 2.886 104.708 1.00 23.59 ? ? ? ? ? ? 351 HOH E O 1 +HETATM 24700 O O . HOH YB 6 . ? 2.333 6.907 133.447 1.00 24.39 ? ? ? ? ? ? 389 HOH E O 1 +HETATM 24701 O O . HOH YB 6 . ? 17.580 9.025 109.666 1.00 23.88 ? ? ? ? ? ? 411 HOH E O 1 +HETATM 24702 O O . HOH YB 6 . ? 25.625 -7.132 117.690 1.00 24.91 ? ? ? ? ? ? 425 HOH E O 1 +HETATM 24703 O O . HOH YB 6 . ? 41.256 5.635 143.064 1.00 24.07 ? ? ? ? ? ? 429 HOH E O 1 +HETATM 24704 O O . HOH YB 6 . ? 23.774 19.059 144.186 1.00 24.82 ? ? ? ? ? ? 436 HOH E O 1 +HETATM 24705 O O . HOH YB 6 . ? 42.088 -3.749 121.339 1.00 25.43 ? ? ? ? ? ? 440 HOH E O 1 +HETATM 24706 O O . HOH YB 6 . ? 35.086 7.904 125.211 1.00 22.91 ? ? ? ? ? ? 445 HOH E O 1 +HETATM 24707 O O . HOH YB 6 . ? 32.880 9.101 105.718 1.00 24.67 ? ? ? ? ? ? 460 HOH E O 1 +HETATM 24708 O O . HOH YB 6 . ? 6.341 9.060 106.199 1.00 24.32 ? ? ? ? ? ? 473 HOH E O 1 +HETATM 24709 O O . HOH YB 6 . ? 22.779 -5.684 119.918 1.00 25.49 ? ? ? ? ? ? 502 HOH E O 1 +HETATM 24710 O O . HOH YB 6 . ? 26.644 22.689 142.217 1.00 25.39 ? ? ? ? ? ? 514 HOH E O 1 +HETATM 24711 O O . HOH YB 6 . ? 30.507 -2.233 111.541 1.00 23.66 ? ? ? ? ? ? 538 HOH E O 1 +HETATM 24712 O O . HOH YB 6 . ? 31.166 8.770 122.466 1.00 27.45 ? ? ? ? ? ? 563 HOH E O 1 +HETATM 24713 O O . HOH YB 6 . ? 37.760 19.979 137.384 1.00 24.02 ? ? ? ? ? ? 567 HOH E O 1 +HETATM 24714 O O . HOH YB 6 . ? 41.733 10.527 128.481 1.00 25.31 ? ? ? ? ? ? 571 HOH E O 1 +HETATM 24715 O O . HOH YB 6 . ? 7.734 24.621 135.464 1.00 26.77 ? ? ? ? ? ? 572 HOH E O 1 +HETATM 24716 O O . HOH YB 6 . ? 21.932 19.639 111.287 1.00 26.67 ? ? ? ? ? ? 582 HOH E O 1 +HETATM 24717 O O . HOH YB 6 . ? 14.569 4.671 106.779 1.00 27.68 ? ? ? ? ? ? 585 HOH E O 1 +HETATM 24718 O O . HOH YB 6 . ? 23.559 13.366 111.924 1.00 24.96 ? ? ? ? ? ? 595 HOH E O 1 +HETATM 24719 O O . HOH YB 6 . ? 41.272 13.143 107.718 1.00 26.84 ? ? ? ? ? ? 602 HOH E O 1 +HETATM 24720 O O . HOH YB 6 . ? 25.360 0.890 120.456 1.00 27.83 ? ? ? ? ? ? 617 HOH E O 1 +HETATM 24721 O O . HOH YB 6 . ? 47.597 13.410 116.040 1.00 25.21 ? ? ? ? ? ? 636 HOH E O 1 +HETATM 24722 O O . HOH YB 6 . ? 47.633 -7.143 137.531 1.00 28.17 ? ? ? ? ? ? 656 HOH E O 1 +HETATM 24723 O O . HOH YB 6 . ? 34.885 22.491 128.199 1.00 27.97 ? ? ? ? ? ? 662 HOH E O 1 +HETATM 24724 O O . HOH YB 6 . ? 7.306 11.252 141.468 1.00 26.99 ? ? ? ? ? ? 667 HOH E O 1 +HETATM 24725 O O . HOH YB 6 . ? 40.798 15.798 115.661 1.00 27.09 ? ? ? ? ? ? 681 HOH E O 1 +HETATM 24726 O O . HOH YB 6 . ? 17.009 17.085 144.538 1.00 26.74 ? ? ? ? ? ? 690 HOH E O 1 +HETATM 24727 O O . HOH YB 6 . ? 29.970 11.887 138.291 1.00 27.37 ? ? ? ? ? ? 707 HOH E O 1 +HETATM 24728 O O . HOH YB 6 . ? 5.550 18.887 124.098 1.00 25.81 ? ? ? ? ? ? 731 HOH E O 1 +HETATM 24729 O O . HOH YB 6 . ? 30.801 7.181 105.542 1.00 28.51 ? ? ? ? ? ? 735 HOH E O 1 +HETATM 24730 O O . HOH YB 6 . ? 24.582 7.353 108.852 1.00 25.83 ? ? ? ? ? ? 736 HOH E O 1 +HETATM 24731 O O . HOH YB 6 . ? 6.008 22.107 120.885 1.00 28.02 ? ? ? ? ? ? 741 HOH E O 1 +HETATM 24732 O O . HOH YB 6 . ? 46.216 -2.209 122.196 1.00 29.39 ? ? ? ? ? ? 745 HOH E O 1 +HETATM 24733 O O . HOH YB 6 . ? 23.216 -7.248 117.089 1.00 27.77 ? ? ? ? ? ? 753 HOH E O 1 +HETATM 24734 O O . HOH YB 6 . ? 41.587 8.656 108.595 1.00 29.61 ? ? ? ? ? ? 759 HOH E O 1 +HETATM 24735 O O . HOH YB 6 . ? 44.105 -10.030 137.863 1.00 27.73 ? ? ? ? ? ? 764 HOH E O 1 +HETATM 24736 O O . HOH YB 6 . ? 14.437 15.572 144.694 1.00 28.68 ? ? ? ? ? ? 786 HOH E O 1 +HETATM 24737 O O . HOH YB 6 . ? 36.523 8.831 132.237 1.00 27.74 ? ? ? ? ? ? 788 HOH E O 1 +HETATM 24738 O O . HOH YB 6 . ? 30.232 -7.181 142.369 1.00 28.16 ? ? ? ? ? ? 816 HOH E O 1 +HETATM 24739 O O . HOH YB 6 . ? 24.032 4.824 108.890 1.00 27.43 ? ? ? ? ? ? 818 HOH E O 1 +HETATM 24740 O O . HOH YB 6 . ? 32.330 -4.417 139.614 1.00 30.16 ? ? ? ? ? ? 831 HOH E O 1 +HETATM 24741 O O . HOH YB 6 . ? 31.025 4.838 104.501 1.00 29.19 ? ? ? ? ? ? 839 HOH E O 1 +HETATM 24742 O O . HOH YB 6 . ? 44.280 12.379 139.552 1.00 25.90 ? ? ? ? ? ? 841 HOH E O 1 +HETATM 24743 O O . HOH YB 6 . ? 27.627 5.247 131.964 1.00 28.79 ? ? ? ? ? ? 845 HOH E O 1 +HETATM 24744 O O . HOH YB 6 . ? 49.200 -8.380 141.509 1.00 29.85 ? ? ? ? ? ? 852 HOH E O 1 +HETATM 24745 O O . HOH YB 6 . ? 24.087 20.640 142.188 1.00 27.80 ? ? ? ? ? ? 859 HOH E O 1 +HETATM 24746 O O . HOH YB 6 . ? 38.982 9.652 108.116 1.00 26.63 ? ? ? ? ? ? 860 HOH E O 1 +HETATM 24747 O O . HOH YB 6 . ? 52.844 4.038 133.775 1.00 41.46 ? ? ? ? ? ? 887 HOH E O 1 +HETATM 24748 O O . HOH YB 6 . ? 16.861 26.210 137.465 1.00 27.54 ? ? ? ? ? ? 902 HOH E O 1 +HETATM 24749 O O . HOH YB 6 . ? 18.301 3.474 110.953 1.00 32.42 ? ? ? ? ? ? 906 HOH E O 1 +HETATM 24750 O O . HOH YB 6 . ? 14.918 28.237 135.528 1.00 28.90 ? ? ? ? ? ? 915 HOH E O 1 +HETATM 24751 O O . HOH YB 6 . ? 36.092 -3.450 125.454 1.00 29.49 ? ? ? ? ? ? 925 HOH E O 1 +HETATM 24752 O O . HOH YB 6 . ? 43.968 -3.503 123.123 1.00 30.74 ? ? ? ? ? ? 938 HOH E O 1 +HETATM 24753 O O . HOH YB 6 . ? 1.487 -0.147 130.864 1.00 30.22 ? ? ? ? ? ? 941 HOH E O 1 +HETATM 24754 O O . HOH YB 6 . ? 41.392 0.437 109.257 1.00 30.66 ? ? ? ? ? ? 951 HOH E O 1 +HETATM 24755 O O . HOH YB 6 . ? 46.687 8.233 139.412 1.00 31.84 ? ? ? ? ? ? 954 HOH E O 1 +HETATM 24756 O O . HOH YB 6 . ? 13.631 2.209 109.870 1.00 28.40 ? ? ? ? ? ? 987 HOH E O 1 +HETATM 24757 O O . HOH YB 6 . ? 24.252 6.120 137.013 1.00 32.92 ? ? ? ? ? ? 998 HOH E O 1 +HETATM 24758 O O . HOH YB 6 . ? 11.982 0.839 116.053 1.00 29.65 ? ? ? ? ? ? 999 HOH E O 1 +HETATM 24759 O O . HOH YB 6 . ? 31.039 5.376 134.994 1.00 30.76 ? ? ? ? ? ? 1003 HOH E O 1 +HETATM 24760 O O . HOH YB 6 . ? 42.733 -4.515 116.523 1.00 30.47 ? ? ? ? ? ? 1016 HOH E O 1 +HETATM 24761 O O . HOH YB 6 . ? 23.616 6.922 130.653 1.00 33.77 ? ? ? ? ? ? 1018 HOH E O 1 +HETATM 24762 O O . HOH YB 6 . ? 20.733 3.160 129.766 1.00 30.91 ? ? ? ? ? ? 1022 HOH E O 1 +HETATM 24763 O O . HOH YB 6 . ? 5.753 12.781 130.794 1.00 31.20 ? ? ? ? ? ? 1051 HOH E O 1 +HETATM 24764 O O . HOH YB 6 . ? 23.702 -1.902 109.548 1.00 31.41 ? ? ? ? ? ? 1060 HOH E O 1 +HETATM 24765 O O . HOH YB 6 . ? 15.064 22.392 138.514 1.00 29.06 ? ? ? ? ? ? 1065 HOH E O 1 +HETATM 24766 O O . HOH YB 6 . ? 24.127 16.261 112.303 1.00 30.05 ? ? ? ? ? ? 1090 HOH E O 1 +HETATM 24767 O O . HOH YB 6 . ? 22.084 22.902 142.136 1.00 33.42 ? ? ? ? ? ? 1091 HOH E O 1 +HETATM 24768 O O . HOH YB 6 . ? 33.985 3.756 123.337 1.00 32.79 ? ? ? ? ? ? 1094 HOH E O 1 +HETATM 24769 O O . HOH YB 6 . ? 25.326 19.244 146.299 1.00 30.54 ? ? ? ? ? ? 1096 HOH E O 1 +HETATM 24770 O O . HOH YB 6 . ? 10.259 24.850 135.949 1.00 30.60 ? ? ? ? ? ? 1123 HOH E O 1 +HETATM 24771 O O . HOH YB 6 . ? 6.660 16.841 125.740 1.00 32.12 ? ? ? ? ? ? 1127 HOH E O 1 +HETATM 24772 O O . HOH YB 6 . ? 7.559 25.157 119.042 1.00 31.98 ? ? ? ? ? ? 1135 HOH E O 1 +HETATM 24773 O O . HOH YB 6 . ? 25.009 20.651 113.816 1.00 33.96 ? ? ? ? ? ? 1142 HOH E O 1 +HETATM 24774 O O . HOH YB 6 . ? 36.079 7.841 128.824 1.00 32.06 ? ? ? ? ? ? 1163 HOH E O 1 +HETATM 24775 O O . HOH YB 6 . ? 40.615 -2.221 108.177 1.00 29.42 ? ? ? ? ? ? 1164 HOH E O 1 +HETATM 24776 O O . HOH YB 6 . ? 45.417 1.497 110.993 1.00 33.11 ? ? ? ? ? ? 1169 HOH E O 1 +HETATM 24777 O O . HOH YB 6 . ? 11.306 24.715 138.225 1.00 33.73 ? ? ? ? ? ? 1170 HOH E O 1 +HETATM 24778 O O . HOH YB 6 . ? 42.110 6.593 106.740 1.00 30.83 ? ? ? ? ? ? 1198 HOH E O 1 +HETATM 24779 O O . HOH YB 6 . ? 19.181 -1.800 123.508 1.00 36.50 ? ? ? ? ? ? 1209 HOH E O 1 +HETATM 24780 O O . HOH YB 6 . ? 4.656 10.588 108.610 1.00 33.68 ? ? ? ? ? ? 1224 HOH E O 1 +HETATM 24781 O O . HOH YB 6 . ? 4.135 13.738 122.881 1.00 34.84 ? ? ? ? ? ? 1234 HOH E O 1 +HETATM 24782 O O . HOH YB 6 . ? 7.707 17.995 109.021 1.00 32.84 ? ? ? ? ? ? 1238 HOH E O 1 +HETATM 24783 O O . HOH YB 6 . ? 43.303 10.708 107.146 1.00 34.59 ? ? ? ? ? ? 1244 HOH E O 1 +HETATM 24784 O O . HOH YB 6 . ? 10.218 -2.280 117.314 1.00 32.43 ? ? ? ? ? ? 1249 HOH E O 1 +HETATM 24785 O O . HOH YB 6 . ? 13.851 14.720 147.002 1.00 34.82 ? ? ? ? ? ? 1278 HOH E O 1 +HETATM 24786 O O . HOH YB 6 . ? 20.831 16.156 109.105 1.00 35.01 ? ? ? ? ? ? 1305 HOH E O 1 +HETATM 24787 O O . HOH YB 6 . ? 12.807 -0.477 109.898 1.00 34.19 ? ? ? ? ? ? 1318 HOH E O 1 +HETATM 24788 O O . HOH YB 6 . ? 1.905 17.603 132.134 1.00 31.96 ? ? ? ? ? ? 1327 HOH E O 1 +HETATM 24789 O O . HOH YB 6 . ? 26.595 22.645 119.352 1.00 37.65 ? ? ? ? ? ? 1353 HOH E O 1 +HETATM 24790 O O . HOH YB 6 . ? 50.230 7.710 130.867 1.00 35.14 ? ? ? ? ? ? 1371 HOH E O 1 +HETATM 24791 O O . HOH YB 6 . ? 22.151 -5.702 115.248 1.00 34.99 ? ? ? ? ? ? 1393 HOH E O 1 +HETATM 24792 O O . HOH YB 6 . ? 16.045 28.848 137.882 1.00 34.81 ? ? ? ? ? ? 1395 HOH E O 1 +HETATM 24793 O O . HOH YB 6 . ? 25.654 10.985 107.675 1.00 36.62 ? ? ? ? ? ? 1404 HOH E O 1 +HETATM 24794 O O . HOH YB 6 . ? 17.160 -0.183 109.575 1.00 32.94 ? ? ? ? ? ? 1419 HOH E O 1 +HETATM 24795 O O . HOH YB 6 . ? 35.325 8.292 104.512 1.00 37.67 ? ? ? ? ? ? 1429 HOH E O 1 +HETATM 24796 O O . HOH YB 6 . ? 49.762 2.246 115.770 1.00 35.87 ? ? ? ? ? ? 1445 HOH E O 1 +HETATM 24797 O O . HOH YB 6 . ? 4.433 24.244 131.697 1.00 36.41 ? ? ? ? ? ? 1454 HOH E O 1 +HETATM 24798 O O . HOH YB 6 . ? 46.874 8.972 129.796 1.00 36.29 ? ? ? ? ? ? 1460 HOH E O 1 +HETATM 24799 O O . HOH YB 6 . ? 47.337 10.086 132.060 1.00 38.04 ? ? ? ? ? ? 1485 HOH E O 1 +HETATM 24800 O O . HOH YB 6 . ? 3.362 13.674 129.472 1.00 35.56 ? ? ? ? ? ? 1497 HOH E O 1 +HETATM 24801 O O . HOH YB 6 . ? 22.652 -3.911 111.080 1.00 36.07 ? ? ? ? ? ? 1516 HOH E O 1 +HETATM 24802 O O . HOH YB 6 . ? 16.914 23.365 107.776 1.00 36.01 ? ? ? ? ? ? 1522 HOH E O 1 +HETATM 24803 O O . HOH YB 6 . ? -1.303 6.665 131.400 1.00 34.02 ? ? ? ? ? ? 1525 HOH E O 1 +HETATM 24804 O O . HOH YB 6 . ? 10.408 -1.229 120.596 1.00 36.85 ? ? ? ? ? ? 1533 HOH E O 1 +HETATM 24805 O O . HOH YB 6 . ? 41.028 17.209 107.123 1.00 36.10 ? ? ? ? ? ? 1534 HOH E O 1 +HETATM 24806 O O . HOH YB 6 . ? -1.236 5.675 124.104 1.00 37.15 ? ? ? ? ? ? 1536 HOH E O 1 +HETATM 24807 O O . HOH YB 6 . ? 15.930 21.786 140.878 1.00 36.82 ? ? ? ? ? ? 1539 HOH E O 1 +HETATM 24808 O O . HOH YB 6 . ? 20.023 20.661 144.038 1.00 36.47 ? ? ? ? ? ? 1542 HOH E O 1 +HETATM 24809 O O . HOH YB 6 . ? 18.945 5.759 109.196 1.00 36.50 ? ? ? ? ? ? 1561 HOH E O 1 +HETATM 24810 O O . HOH YB 6 . ? 3.528 18.473 139.359 1.00 35.51 ? ? ? ? ? ? 1580 HOH E O 1 +HETATM 24811 O O . HOH YB 6 . ? 5.122 21.306 123.712 1.00 36.85 ? ? ? ? ? ? 1581 HOH E O 1 +HETATM 24812 O O . HOH YB 6 . ? 29.776 20.853 144.643 1.00 38.03 ? ? ? ? ? ? 1630 HOH E O 1 +HETATM 24813 O O . HOH YB 6 . ? 5.747 -0.079 120.143 1.00 37.04 ? ? ? ? ? ? 1638 HOH E O 1 +HETATM 24814 O O . HOH YB 6 . ? 43.981 -2.129 125.478 1.00 41.59 ? ? ? ? ? ? 1641 HOH E O 1 +HETATM 24815 O O . HOH YB 6 . ? 6.907 3.036 117.495 1.00 37.68 ? ? ? ? ? ? 1647 HOH E O 1 +HETATM 24816 O O . HOH YB 6 . ? 36.840 -2.890 139.036 1.00 32.39 ? ? ? ? ? ? 1662 HOH E O 1 +HETATM 24817 O O . HOH YB 6 . ? 51.846 8.960 132.562 1.00 42.71 ? ? ? ? ? ? 1669 HOH E O 1 +HETATM 24818 O O . HOH YB 6 . ? 31.733 15.625 107.762 1.00 34.99 ? ? ? ? ? ? 1676 HOH E O 1 +HETATM 24819 O O . HOH YB 6 . ? 4.860 4.028 119.011 1.00 37.35 ? ? ? ? ? ? 1685 HOH E O 1 +HETATM 24820 O O . HOH YB 6 . ? 2.996 14.951 131.713 1.00 38.90 ? ? ? ? ? ? 1694 HOH E O 1 +HETATM 24821 O O . HOH YB 6 . ? 5.406 10.361 138.779 1.00 41.41 ? ? ? ? ? ? 1724 HOH E O 1 +HETATM 24822 O O . HOH YB 6 . ? 14.304 -2.315 116.726 1.00 37.03 ? ? ? ? ? ? 1744 HOH E O 1 +HETATM 24823 O O . HOH YB 6 . ? 13.436 16.532 109.043 1.00 39.08 ? ? ? ? ? ? 1754 HOH E O 1 +HETATM 24824 O O . HOH YB 6 . ? 9.637 1.035 118.062 1.00 41.93 ? ? ? ? ? ? 1756 HOH E O 1 +HETATM 24825 O O . HOH YB 6 . ? 46.551 11.052 139.471 1.00 39.51 ? ? ? ? ? ? 1758 HOH E O 1 +HETATM 24826 O O . HOH YB 6 . ? 38.794 -3.412 108.647 1.00 39.18 ? ? ? ? ? ? 1770 HOH E O 1 +HETATM 24827 O O . HOH YB 6 . ? 31.863 -4.050 107.979 1.00 39.45 ? ? ? ? ? ? 1775 HOH E O 1 +HETATM 24828 O O . HOH YB 6 . ? 33.148 -8.888 116.303 1.00 40.78 ? ? ? ? ? ? 1776 HOH E O 1 +HETATM 24829 O O . HOH YB 6 . ? 41.121 -12.770 143.113 1.00 39.16 ? ? ? ? ? ? 1781 HOH E O 1 +HETATM 24830 O O . HOH YB 6 . ? 47.539 -3.596 126.331 1.00 37.74 ? ? ? ? ? ? 1791 HOH E O 1 +HETATM 24831 O O . HOH YB 6 . ? 36.997 0.324 136.283 1.00 38.35 ? ? ? ? ? ? 1799 HOH E O 1 +HETATM 24832 O O . HOH YB 6 . ? 8.242 11.026 136.448 1.00 41.22 ? ? ? ? ? ? 1801 HOH E O 1 +HETATM 24833 O O . HOH YB 6 . ? 27.931 11.088 106.716 1.00 40.73 ? ? ? ? ? ? 1807 HOH E O 1 +HETATM 24834 O O . HOH YB 6 . ? 6.092 19.044 137.843 1.00 39.20 ? ? ? ? ? ? 1858 HOH E O 1 +HETATM 24835 O O . HOH YB 6 . ? 5.253 10.421 129.717 1.00 40.00 ? ? ? ? ? ? 1871 HOH E O 1 +HETATM 24836 O O . HOH YB 6 . ? 35.375 6.592 131.425 1.00 40.31 ? ? ? ? ? ? 1878 HOH E O 1 +HETATM 24837 O O . HOH YB 6 . ? 17.438 -1.789 114.707 1.00 41.81 ? ? ? ? ? ? 1880 HOH E O 1 +HETATM 24838 O O . HOH YB 6 . ? 37.330 6.611 104.966 1.00 38.55 ? ? ? ? ? ? 1887 HOH E O 1 +HETATM 24839 O O . HOH YB 6 . ? 30.527 -8.820 139.940 1.00 40.26 ? ? ? ? ? ? 1892 HOH E O 1 +HETATM 24840 O O . HOH YB 6 . ? 5.818 3.721 106.599 1.00 39.59 ? ? ? ? ? ? 1905 HOH E O 1 +HETATM 24841 O O . HOH YB 6 . ? 5.309 5.972 107.546 1.00 44.57 ? ? ? ? ? ? 1911 HOH E O 1 +HETATM 24842 O O . HOH YB 6 . ? 34.534 -5.004 120.172 1.00 41.57 ? ? ? ? ? ? 1924 HOH E O 1 +HETATM 24843 O O . HOH YB 6 . ? 50.006 -3.829 128.144 1.00 43.63 ? ? ? ? ? ? 1931 HOH E O 1 +HETATM 24844 O O . HOH YB 6 . ? 18.677 -1.125 111.325 1.00 37.66 ? ? ? ? ? ? 1932 HOH E O 1 +HETATM 24845 O O . HOH YB 6 . ? 14.542 7.672 106.771 1.00 42.12 ? ? ? ? ? ? 1933 HOH E O 1 +HETATM 24846 O O . HOH YB 6 . ? 41.617 18.851 143.868 1.00 40.90 ? ? ? ? ? ? 1937 HOH E O 1 +HETATM 24847 O O . HOH YB 6 . ? 19.929 17.286 145.312 1.00 39.84 ? ? ? ? ? ? 1948 HOH E O 1 +HETATM 24848 O O . HOH YB 6 . ? 33.653 19.978 145.987 1.00 42.56 ? ? ? ? ? ? 1954 HOH E O 1 +HETATM 24849 O O . HOH YB 6 . ? 51.659 8.047 136.767 1.00 44.41 ? ? ? ? ? ? 1956 HOH E O 1 +HETATM 24850 O O . HOH YB 6 . ? 51.509 4.408 131.245 1.00 41.50 ? ? ? ? ? ? 1957 HOH E O 1 +HETATM 24851 O O . HOH YB 6 . ? 46.924 -11.793 143.192 1.00 43.93 ? ? ? ? ? ? 1960 HOH E O 1 +HETATM 24852 O O . HOH YB 6 . ? 28.157 17.289 113.373 1.00 41.49 ? ? ? ? ? ? 1970 HOH E O 1 +HETATM 24853 O O . HOH YB 6 . ? 2.059 10.549 125.755 1.00 40.02 ? ? ? ? ? ? 2017 HOH E O 1 +HETATM 24854 O O . HOH YB 6 . ? 41.120 -5.057 133.513 1.00 40.54 ? ? ? ? ? ? 2019 HOH E O 1 +HETATM 24855 O O . HOH YB 6 . ? 28.786 8.672 103.968 1.00 45.45 ? ? ? ? ? ? 2037 HOH E O 1 +HETATM 24856 O O . HOH YB 6 . ? 35.129 -9.215 119.128 1.00 42.56 ? ? ? ? ? ? 2065 HOH E O 1 +HETATM 24857 O O . HOH YB 6 . ? 18.516 10.988 108.168 1.00 45.32 ? ? ? ? ? ? 2074 HOH E O 1 +HETATM 24858 O O . HOH YB 6 . ? 47.106 -3.578 120.089 1.00 42.49 ? ? ? ? ? ? 2116 HOH E O 1 +HETATM 24859 O O . HOH YB 6 . ? 26.819 20.343 117.409 1.00 42.40 ? ? ? ? ? ? 2131 HOH E O 1 +HETATM 24860 O O . HOH YB 6 . ? 33.808 -3.284 123.486 1.00 43.61 ? ? ? ? ? ? 2132 HOH E O 1 +HETATM 24861 O O . HOH YB 6 . ? 37.898 2.846 131.823 1.00 38.10 ? ? ? ? ? ? 2136 HOH E O 1 +HETATM 24862 O O . HOH YB 6 . ? 41.027 -16.024 143.715 1.00 44.70 ? ? ? ? ? ? 2143 HOH E O 1 +HETATM 24863 O O . HOH YB 6 . ? 49.685 -3.425 116.167 1.00 41.65 ? ? ? ? ? ? 2158 HOH E O 1 +HETATM 24864 O O . HOH YB 6 . ? 43.197 -4.125 131.263 1.00 42.48 ? ? ? ? ? ? 2169 HOH E O 1 +HETATM 24865 O O . HOH YB 6 . ? 4.037 16.804 126.369 1.00 45.88 ? ? ? ? ? ? 2178 HOH E O 1 +HETATM 24866 O O . HOH YB 6 . ? 41.730 -3.045 129.350 1.00 43.64 ? ? ? ? ? ? 2185 HOH E O 1 +HETATM 24867 O O . HOH YB 6 . ? 9.785 22.605 141.015 1.00 51.39 ? ? ? ? ? ? 2191 HOH E O 1 +HETATM 24868 O O . HOH YB 6 . ? 46.926 2.164 115.518 1.00 51.38 ? ? ? ? ? ? 2201 HOH E O 1 +HETATM 24869 O O . HOH YB 6 . ? 4.619 16.342 116.489 1.00 48.07 ? ? ? ? ? ? 2215 HOH E O 1 +HETATM 24870 O O . HOH YB 6 . ? 33.229 -7.064 119.288 1.00 48.66 ? ? ? ? ? ? 2220 HOH E O 1 +HETATM 24871 O O . HOH YB 6 . ? 48.412 -3.109 123.409 1.00 48.73 ? ? ? ? ? ? 2232 HOH E O 1 +HETATM 24872 O O . HOH YB 6 . ? 28.313 13.831 109.039 1.00 47.60 ? ? ? ? ? ? 2239 HOH E O 1 +HETATM 24873 O O . HOH YB 6 . ? 7.767 27.612 112.915 1.00 44.60 ? ? ? ? ? ? 2251 HOH E O 1 +HETATM 24874 O O . HOH ZB 6 . ? 21.357 29.971 127.731 1.00 11.16 ? ? ? ? ? ? 256 HOH F O 1 +HETATM 24875 O O . HOH ZB 6 . ? 30.369 32.492 145.486 1.00 22.84 ? ? ? ? ? ? 257 HOH F O 1 +HETATM 24876 O O . HOH ZB 6 . ? 16.418 32.738 116.667 1.00 13.90 ? ? ? ? ? ? 258 HOH F O 1 +HETATM 24877 O O . HOH ZB 6 . ? 19.901 46.734 115.012 1.00 17.20 ? ? ? ? ? ? 259 HOH F O 1 +HETATM 24878 O O . HOH ZB 6 . ? 22.946 32.297 121.667 1.00 18.38 ? ? ? ? ? ? 260 HOH F O 1 +HETATM 24879 O O . HOH ZB 6 . ? 33.760 43.791 128.007 1.00 18.19 ? ? ? ? ? ? 261 HOH F O 1 +HETATM 24880 O O . HOH ZB 6 . ? 40.549 35.067 139.550 1.00 19.86 ? ? ? ? ? ? 262 HOH F O 1 +HETATM 24881 O O . HOH ZB 6 . ? 16.440 41.799 116.349 1.00 19.48 ? ? ? ? ? ? 263 HOH F O 1 +HETATM 24882 O O . HOH ZB 6 . ? 41.840 37.159 138.141 1.00 20.75 ? ? ? ? ? ? 264 HOH F O 1 +HETATM 24883 O O . HOH ZB 6 . ? 17.561 32.205 109.220 1.00 18.55 ? ? ? ? ? ? 265 HOH F O 1 +HETATM 24884 O O . HOH ZB 6 . ? 21.929 27.648 116.907 1.00 21.09 ? ? ? ? ? ? 266 HOH F O 1 +HETATM 24885 O O . HOH ZB 6 . ? 27.283 37.479 120.649 1.00 20.34 ? ? ? ? ? ? 267 HOH F O 1 +HETATM 24886 O O . HOH ZB 6 . ? 22.959 25.661 140.796 1.00 19.46 ? ? ? ? ? ? 268 HOH F O 1 +HETATM 24887 O O . HOH ZB 6 . ? 23.145 48.169 104.437 1.00 20.53 ? ? ? ? ? ? 269 HOH F O 1 +HETATM 24888 O O . HOH ZB 6 . ? 26.318 35.274 135.114 1.00 18.78 ? ? ? ? ? ? 270 HOH F O 1 +HETATM 24889 O O . HOH ZB 6 . ? 32.606 37.753 146.004 1.00 21.34 ? ? ? ? ? ? 271 HOH F O 1 +HETATM 24890 O O . HOH ZB 6 . ? 19.555 47.454 110.476 1.00 20.82 ? ? ? ? ? ? 272 HOH F O 1 +HETATM 24891 O O . HOH ZB 6 . ? 29.025 39.353 138.939 1.00 20.71 ? ? ? ? ? ? 273 HOH F O 1 +HETATM 24892 O O . HOH ZB 6 . ? 30.908 47.910 109.811 1.00 21.98 ? ? ? ? ? ? 274 HOH F O 1 +HETATM 24893 O O . HOH ZB 6 . ? 21.228 44.133 103.793 1.00 22.05 ? ? ? ? ? ? 275 HOH F O 1 +HETATM 24894 O O . HOH ZB 6 . ? 23.376 37.776 135.104 1.00 20.50 ? ? ? ? ? ? 276 HOH F O 1 +HETATM 24895 O O . HOH ZB 6 . ? 37.425 31.809 113.299 1.00 22.92 ? ? ? ? ? ? 296 HOH F O 1 +HETATM 24896 O O . HOH ZB 6 . ? 22.584 54.466 138.949 1.00 24.30 ? ? ? ? ? ? 317 HOH F O 1 +HETATM 24897 O O . HOH ZB 6 . ? 36.630 25.627 120.612 1.00 24.41 ? ? ? ? ? ? 334 HOH F O 1 +HETATM 24898 O O . HOH ZB 6 . ? 7.227 56.618 135.197 1.00 26.18 ? ? ? ? ? ? 343 HOH F O 1 +HETATM 24899 O O . HOH ZB 6 . ? 37.696 47.626 109.695 1.00 21.52 ? ? ? ? ? ? 345 HOH F O 1 +HETATM 24900 O O . HOH ZB 6 . ? 42.034 32.866 140.017 1.00 24.59 ? ? ? ? ? ? 382 HOH F O 1 +HETATM 24901 O O . HOH ZB 6 . ? 49.907 22.693 138.655 1.00 25.72 ? ? ? ? ? ? 388 HOH F O 1 +HETATM 24902 O O . HOH ZB 6 . ? 10.901 57.325 129.981 1.00 22.25 ? ? ? ? ? ? 390 HOH F O 1 +HETATM 24903 O O . HOH ZB 6 . ? 34.900 24.772 127.639 1.00 22.28 ? ? ? ? ? ? 402 HOH F O 1 +HETATM 24904 O O . HOH ZB 6 . ? 21.725 33.665 136.392 1.00 24.36 ? ? ? ? ? ? 415 HOH F O 1 +HETATM 24905 O O . HOH ZB 6 . ? 47.631 32.368 119.991 1.00 24.17 ? ? ? ? ? ? 428 HOH F O 1 +HETATM 24906 O O . HOH ZB 6 . ? 29.469 38.780 129.747 1.00 23.57 ? ? ? ? ? ? 441 HOH F O 1 +HETATM 24907 O O . HOH ZB 6 . ? 27.786 46.863 103.664 1.00 24.44 ? ? ? ? ? ? 447 HOH F O 1 +HETATM 24908 O O . HOH ZB 6 . ? 22.930 42.934 117.698 1.00 23.63 ? ? ? ? ? ? 449 HOH F O 1 +HETATM 24909 O O . HOH ZB 6 . ? 23.501 35.487 136.352 1.00 22.52 ? ? ? ? ? ? 459 HOH F O 1 +HETATM 24910 O O . HOH ZB 6 . ? 26.056 40.618 102.863 1.00 23.43 ? ? ? ? ? ? 493 HOH F O 1 +HETATM 24911 O O . HOH ZB 6 . ? 45.445 15.708 113.311 1.00 23.40 ? ? ? ? ? ? 498 HOH F O 1 +HETATM 24912 O O . HOH ZB 6 . ? 16.480 27.136 133.881 1.00 25.95 ? ? ? ? ? ? 504 HOH F O 1 +HETATM 24913 O O . HOH ZB 6 . ? 30.028 24.803 143.225 1.00 24.80 ? ? ? ? ? ? 528 HOH F O 1 +HETATM 24914 O O . HOH ZB 6 . ? 31.292 40.005 133.403 1.00 23.74 ? ? ? ? ? ? 545 HOH F O 1 +HETATM 24915 O O . HOH ZB 6 . ? 23.883 41.755 132.660 1.00 28.45 ? ? ? ? ? ? 559 HOH F O 1 +HETATM 24916 O O . HOH ZB 6 . ? 22.751 38.639 122.549 1.00 27.58 ? ? ? ? ? ? 560 HOH F O 1 +HETATM 24917 O O . HOH ZB 6 . ? 9.830 37.392 123.076 1.00 25.76 ? ? ? ? ? ? 566 HOH F O 1 +HETATM 24918 O O . HOH ZB 6 . ? 30.289 36.122 104.414 1.00 23.73 ? ? ? ? ? ? 573 HOH F O 1 +HETATM 24919 O O . HOH ZB 6 . ? 44.994 45.193 122.746 1.00 26.92 ? ? ? ? ? ? 581 HOH F O 1 +HETATM 24920 O O . HOH ZB 6 . ? 37.549 24.986 141.550 1.00 26.63 ? ? ? ? ? ? 675 HOH F O 1 +HETATM 24921 O O . HOH ZB 6 . ? 48.523 31.671 113.038 1.00 26.16 ? ? ? ? ? ? 677 HOH F O 1 +HETATM 24922 O O . HOH ZB 6 . ? 28.927 26.802 119.070 1.00 25.73 ? ? ? ? ? ? 705 HOH F O 1 +HETATM 24923 O O . HOH ZB 6 . ? 11.750 41.975 137.191 1.00 29.23 ? ? ? ? ? ? 713 HOH F O 1 +HETATM 24924 O O . HOH ZB 6 . ? 38.784 19.226 139.460 1.00 26.57 ? ? ? ? ? ? 714 HOH F O 1 +HETATM 24925 O O . HOH ZB 6 . ? 9.023 41.543 109.668 1.00 25.83 ? ? ? ? ? ? 761 HOH F O 1 +HETATM 24926 O O . HOH ZB 6 . ? 51.623 24.482 127.777 1.00 31.06 ? ? ? ? ? ? 783 HOH F O 1 +HETATM 24927 O O . HOH ZB 6 . ? 34.672 29.940 143.755 1.00 26.11 ? ? ? ? ? ? 794 HOH F O 1 +HETATM 24928 O O . HOH ZB 6 . ? 10.729 39.306 106.884 1.00 24.80 ? ? ? ? ? ? 795 HOH F O 1 +HETATM 24929 O O . HOH ZB 6 . ? 8.780 43.762 115.640 1.00 28.25 ? ? ? ? ? ? 804 HOH F O 1 +HETATM 24930 O O . HOH ZB 6 . ? 19.755 29.565 111.760 1.00 27.93 ? ? ? ? ? ? 810 HOH F O 1 +HETATM 24931 O O . HOH ZB 6 . ? 37.510 50.862 115.644 1.00 27.48 ? ? ? ? ? ? 821 HOH F O 1 +HETATM 24932 O O . HOH ZB 6 . ? 32.444 38.037 104.565 1.00 27.12 ? ? ? ? ? ? 826 HOH F O 1 +HETATM 24933 O O . HOH ZB 6 . ? 51.137 32.138 138.528 1.00 29.55 ? ? ? ? ? ? 829 HOH F O 1 +HETATM 24934 O O . HOH ZB 6 . ? 31.033 27.572 117.774 1.00 29.68 ? ? ? ? ? ? 832 HOH F O 1 +HETATM 24935 O O . HOH ZB 6 . ? 9.822 33.252 131.248 1.00 28.66 ? ? ? ? ? ? 840 HOH F O 1 +HETATM 24936 O O . HOH ZB 6 . ? 8.651 36.255 125.496 1.00 30.73 ? ? ? ? ? ? 844 HOH F O 1 +HETATM 24937 O O . HOH ZB 6 . ? 12.593 59.015 130.441 1.00 29.77 ? ? ? ? ? ? 854 HOH F O 1 +HETATM 24938 O O . HOH ZB 6 . ? 45.959 48.058 139.244 1.00 28.02 ? ? ? ? ? ? 855 HOH F O 1 +HETATM 24939 O O . HOH ZB 6 . ? 16.672 49.411 115.462 1.00 29.00 ? ? ? ? ? ? 864 HOH F O 1 +HETATM 24940 O O . HOH ZB 6 . ? 8.553 42.521 112.033 1.00 27.93 ? ? ? ? ? ? 881 HOH F O 1 +HETATM 24941 O O . HOH ZB 6 . ? 47.744 47.285 124.263 1.00 32.28 ? ? ? ? ? ? 883 HOH F O 1 +HETATM 24942 O O . HOH ZB 6 . ? 18.508 49.040 131.916 1.00 42.39 ? ? ? ? ? ? 896 HOH F O 1 +HETATM 24943 O O . HOH ZB 6 . ? 23.225 35.255 104.925 1.00 27.84 ? ? ? ? ? ? 900 HOH F O 1 +HETATM 24944 O O . HOH ZB 6 . ? 46.843 28.050 143.904 1.00 31.36 ? ? ? ? ? ? 928 HOH F O 1 +HETATM 24945 O O . HOH ZB 6 . ? 17.145 50.034 133.944 1.00 29.69 ? ? ? ? ? ? 930 HOH F O 1 +HETATM 24946 O O . HOH ZB 6 . ? 17.459 46.713 131.646 1.00 30.91 ? ? ? ? ? ? 936 HOH F O 1 +HETATM 24947 O O . HOH ZB 6 . ? 30.039 48.264 104.749 1.00 31.47 ? ? ? ? ? ? 963 HOH F O 1 +HETATM 24948 O O . HOH ZB 6 . ? 12.374 47.945 115.119 1.00 32.29 ? ? ? ? ? ? 988 HOH F O 1 +HETATM 24949 O O . HOH ZB 6 . ? 45.944 22.400 141.133 1.00 31.04 ? ? ? ? ? ? 997 HOH F O 1 +HETATM 24950 O O . HOH ZB 6 . ? 27.435 31.116 143.187 1.00 31.14 ? ? ? ? ? ? 1000 HOH F O 1 +HETATM 24951 O O . HOH ZB 6 . ? 19.345 38.108 128.534 1.00 33.11 ? ? ? ? ? ? 1019 HOH F O 1 +HETATM 24952 O O . HOH ZB 6 . ? 11.920 49.392 112.660 1.00 30.14 ? ? ? ? ? ? 1030 HOH F O 1 +HETATM 24953 O O . HOH ZB 6 . ? 24.275 42.647 120.301 1.00 29.61 ? ? ? ? ? ? 1031 HOH F O 1 +HETATM 24954 O O . HOH ZB 6 . ? 39.120 25.557 113.558 1.00 31.42 ? ? ? ? ? ? 1044 HOH F O 1 +HETATM 24955 O O . HOH ZB 6 . ? 25.618 48.526 103.625 1.00 27.39 ? ? ? ? ? ? 1049 HOH F O 1 +HETATM 24956 O O . HOH ZB 6 . ? 28.352 26.903 142.651 1.00 30.86 ? ? ? ? ? ? 1050 HOH F O 1 +HETATM 24957 O O . HOH ZB 6 . ? 42.150 15.569 110.879 1.00 32.36 ? ? ? ? ? ? 1059 HOH F O 1 +HETATM 24958 O O . HOH ZB 6 . ? 27.712 28.726 144.293 1.00 30.13 ? ? ? ? ? ? 1062 HOH F O 1 +HETATM 24959 O O . HOH ZB 6 . ? 34.000 46.290 139.332 1.00 30.93 ? ? ? ? ? ? 1076 HOH F O 1 +HETATM 24960 O O . HOH ZB 6 . ? 43.826 35.561 112.007 1.00 29.70 ? ? ? ? ? ? 1080 HOH F O 1 +HETATM 24961 O O . HOH ZB 6 . ? 56.124 24.745 121.873 1.00 32.36 ? ? ? ? ? ? 1081 HOH F O 1 +HETATM 24962 O O . HOH ZB 6 . ? 50.976 27.812 130.260 1.00 29.83 ? ? ? ? ? ? 1082 HOH F O 1 +HETATM 24963 O O . HOH ZB 6 . ? 21.973 46.514 102.917 1.00 29.59 ? ? ? ? ? ? 1104 HOH F O 1 +HETATM 24964 O O . HOH ZB 6 . ? 10.760 34.047 109.998 1.00 33.01 ? ? ? ? ? ? 1105 HOH F O 1 +HETATM 24965 O O . HOH ZB 6 . ? 29.327 47.513 122.892 1.00 34.06 ? ? ? ? ? ? 1107 HOH F O 1 +HETATM 24966 O O . HOH ZB 6 . ? 49.289 29.559 131.223 1.00 33.59 ? ? ? ? ? ? 1108 HOH F O 1 +HETATM 24967 O O . HOH ZB 6 . ? 43.189 22.144 141.101 1.00 31.61 ? ? ? ? ? ? 1118 HOH F O 1 +HETATM 24968 O O . HOH ZB 6 . ? 35.330 43.612 130.566 1.00 30.92 ? ? ? ? ? ? 1124 HOH F O 1 +HETATM 24969 O O . HOH ZB 6 . ? 9.239 31.874 133.166 1.00 32.43 ? ? ? ? ? ? 1162 HOH F O 1 +HETATM 24970 O O . HOH ZB 6 . ? 11.521 49.686 118.866 1.00 33.77 ? ? ? ? ? ? 1180 HOH F O 1 +HETATM 24971 O O . HOH ZB 6 . ? 13.899 47.665 119.037 1.00 34.46 ? ? ? ? ? ? 1184 HOH F O 1 +HETATM 24972 O O . HOH ZB 6 . ? 10.305 35.635 104.617 1.00 38.51 ? ? ? ? ? ? 1193 HOH F O 1 +HETATM 24973 O O . HOH ZB 6 . ? 18.095 27.538 105.838 1.00 30.25 ? ? ? ? ? ? 1195 HOH F O 1 +HETATM 24974 O O . HOH ZB 6 . ? 32.873 49.391 124.179 1.00 33.14 ? ? ? ? ? ? 1203 HOH F O 1 +HETATM 24975 O O . HOH ZB 6 . ? 42.311 47.308 116.752 1.00 34.52 ? ? ? ? ? ? 1221 HOH F O 1 +HETATM 24976 O O . HOH ZB 6 . ? 33.712 30.894 110.588 1.00 30.41 ? ? ? ? ? ? 1231 HOH F O 1 +HETATM 24977 O O . HOH ZB 6 . ? 36.411 33.017 150.203 1.00 35.28 ? ? ? ? ? ? 1237 HOH F O 1 +HETATM 24978 O O . HOH ZB 6 . ? 38.662 49.739 111.712 1.00 31.96 ? ? ? ? ? ? 1247 HOH F O 1 +HETATM 24979 O O . HOH ZB 6 . ? 4.178 37.074 130.889 1.00 33.24 ? ? ? ? ? ? 1253 HOH F O 1 +HETATM 24980 O O . HOH ZB 6 . ? 31.906 39.803 130.935 1.00 31.46 ? ? ? ? ? ? 1255 HOH F O 1 +HETATM 24981 O O . HOH ZB 6 . ? 30.495 27.180 115.137 1.00 33.09 ? ? ? ? ? ? 1263 HOH F O 1 +HETATM 24982 O O . HOH ZB 6 . ? 31.126 49.261 107.473 1.00 34.69 ? ? ? ? ? ? 1271 HOH F O 1 +HETATM 24983 O O . HOH ZB 6 . ? 37.530 38.199 109.560 1.00 35.20 ? ? ? ? ? ? 1286 HOH F O 1 +HETATM 24984 O O . HOH ZB 6 . ? 7.709 38.991 132.547 1.00 32.39 ? ? ? ? ? ? 1289 HOH F O 1 +HETATM 24985 O O . HOH ZB 6 . ? 39.325 39.641 111.159 1.00 36.80 ? ? ? ? ? ? 1306 HOH F O 1 +HETATM 24986 O O . HOH ZB 6 . ? 13.033 41.891 104.410 1.00 34.14 ? ? ? ? ? ? 1314 HOH F O 1 +HETATM 24987 O O . HOH ZB 6 . ? 30.856 23.154 123.028 1.00 31.08 ? ? ? ? ? ? 1316 HOH F O 1 +HETATM 24988 O O . HOH ZB 6 . ? 32.350 40.258 103.463 1.00 32.06 ? ? ? ? ? ? 1330 HOH F O 1 +HETATM 24989 O O . HOH ZB 6 . ? 20.744 38.812 125.230 1.00 32.00 ? ? ? ? ? ? 1337 HOH F O 1 +HETATM 24990 O O . HOH ZB 6 . ? 45.130 21.922 112.095 1.00 37.83 ? ? ? ? ? ? 1340 HOH F O 1 +HETATM 24991 O O . HOH ZB 6 . ? 20.864 36.316 104.428 1.00 31.78 ? ? ? ? ? ? 1344 HOH F O 1 +HETATM 24992 O O . HOH ZB 6 . ? 27.776 41.735 130.738 1.00 33.57 ? ? ? ? ? ? 1389 HOH F O 1 +HETATM 24993 O O . HOH ZB 6 . ? 9.064 36.183 120.734 1.00 35.88 ? ? ? ? ? ? 1392 HOH F O 1 +HETATM 24994 O O . HOH ZB 6 . ? 14.849 41.231 106.315 1.00 34.08 ? ? ? ? ? ? 1400 HOH F O 1 +HETATM 24995 O O . HOH ZB 6 . ? 22.893 55.537 136.400 1.00 33.18 ? ? ? ? ? ? 1411 HOH F O 1 +HETATM 24996 O O . HOH ZB 6 . ? 34.127 22.751 115.050 1.00 35.18 ? ? ? ? ? ? 1415 HOH F O 1 +HETATM 24997 O O . HOH ZB 6 . ? 29.743 41.151 136.732 1.00 35.52 ? ? ? ? ? ? 1423 HOH F O 1 +HETATM 24998 O O . HOH ZB 6 . ? 17.387 49.457 110.388 1.00 35.24 ? ? ? ? ? ? 1426 HOH F O 1 +HETATM 24999 O O . HOH ZB 6 . ? 48.937 42.458 112.561 1.00 34.93 ? ? ? ? ? ? 1440 HOH F O 1 +HETATM 25000 O O . HOH ZB 6 . ? 21.550 49.707 121.077 1.00 35.94 ? ? ? ? ? ? 1449 HOH F O 1 +HETATM 25001 O O . HOH ZB 6 . ? 40.077 31.458 111.517 1.00 38.53 ? ? ? ? ? ? 1459 HOH F O 1 +HETATM 25002 O O . HOH ZB 6 . ? 32.620 25.312 118.250 1.00 35.32 ? ? ? ? ? ? 1464 HOH F O 1 +HETATM 25003 O O . HOH ZB 6 . ? 22.128 26.926 143.861 1.00 35.16 ? ? ? ? ? ? 1491 HOH F O 1 +HETATM 25004 O O . HOH ZB 6 . ? 21.493 51.586 136.086 1.00 40.60 ? ? ? ? ? ? 1492 HOH F O 1 +HETATM 25005 O O . HOH ZB 6 . ? 36.247 21.809 141.237 1.00 37.90 ? ? ? ? ? ? 1503 HOH F O 1 +HETATM 25006 O O . HOH ZB 6 . ? 50.767 38.215 111.313 1.00 37.41 ? ? ? ? ? ? 1510 HOH F O 1 +HETATM 25007 O O . HOH ZB 6 . ? 15.809 48.806 108.279 1.00 35.12 ? ? ? ? ? ? 1545 HOH F O 1 +HETATM 25008 O O . HOH ZB 6 . ? 36.427 32.107 147.746 1.00 38.74 ? ? ? ? ? ? 1552 HOH F O 1 +HETATM 25009 O O . HOH ZB 6 . ? 24.027 39.835 124.154 1.00 37.24 ? ? ? ? ? ? 1562 HOH F O 1 +HETATM 25010 O O . HOH ZB 6 . ? 41.516 22.443 142.763 1.00 37.19 ? ? ? ? ? ? 1566 HOH F O 1 +HETATM 25011 O O . HOH ZB 6 . ? 37.745 40.965 109.512 1.00 34.92 ? ? ? ? ? ? 1571 HOH F O 1 +HETATM 25012 O O . HOH ZB 6 . ? 28.704 45.986 101.380 1.00 34.57 ? ? ? ? ? ? 1575 HOH F O 1 +HETATM 25013 O O . HOH ZB 6 . ? 33.534 20.312 116.258 1.00 38.79 ? ? ? ? ? ? 1585 HOH F O 1 +HETATM 25014 O O . HOH ZB 6 . ? 56.549 32.519 122.548 1.00 37.60 ? ? ? ? ? ? 1598 HOH F O 1 +HETATM 25015 O O . HOH ZB 6 . ? 5.760 39.314 123.672 1.00 36.25 ? ? ? ? ? ? 1612 HOH F O 1 +HETATM 25016 O O . HOH ZB 6 . ? 47.100 29.805 130.380 1.00 36.04 ? ? ? ? ? ? 1613 HOH F O 1 +HETATM 25017 O O . HOH ZB 6 . ? 46.538 35.627 111.292 1.00 36.02 ? ? ? ? ? ? 1615 HOH F O 1 +HETATM 25018 O O . HOH ZB 6 . ? 42.251 47.614 113.755 1.00 36.52 ? ? ? ? ? ? 1643 HOH F O 1 +HETATM 25019 O O . HOH ZB 6 . ? 52.499 28.970 139.166 1.00 37.85 ? ? ? ? ? ? 1646 HOH F O 1 +HETATM 25020 O O . HOH ZB 6 . ? 54.365 29.849 123.277 1.00 39.42 ? ? ? ? ? ? 1654 HOH F O 1 +HETATM 25021 O O . HOH ZB 6 . ? 19.785 25.467 144.967 1.00 36.59 ? ? ? ? ? ? 1659 HOH F O 1 +HETATM 25022 O O . HOH ZB 6 . ? 8.256 38.372 110.219 1.00 35.88 ? ? ? ? ? ? 1677 HOH F O 1 +HETATM 25023 O O . HOH ZB 6 . ? 26.504 51.315 104.557 1.00 34.19 ? ? ? ? ? ? 1682 HOH F O 1 +HETATM 25024 O O . HOH ZB 6 . ? 31.061 30.450 146.652 1.00 36.17 ? ? ? ? ? ? 1689 HOH F O 1 +HETATM 25025 O O . HOH ZB 6 . ? 10.768 42.827 106.008 1.00 34.87 ? ? ? ? ? ? 1695 HOH F O 1 +HETATM 25026 O O . HOH ZB 6 . ? 9.576 34.711 133.332 1.00 37.94 ? ? ? ? ? ? 1696 HOH F O 1 +HETATM 25027 O O . HOH ZB 6 . ? 36.501 29.273 113.594 1.00 38.16 ? ? ? ? ? ? 1706 HOH F O 1 +HETATM 25028 O O . HOH ZB 6 . ? 16.664 50.839 112.958 1.00 37.27 ? ? ? ? ? ? 1729 HOH F O 1 +HETATM 25029 O O . HOH ZB 6 . ? 2.445 40.681 126.951 1.00 40.88 ? ? ? ? ? ? 1734 HOH F O 1 +HETATM 25030 O O . HOH ZB 6 . ? 51.789 19.450 117.006 1.00 40.94 ? ? ? ? ? ? 1741 HOH F O 1 +HETATM 25031 O O . HOH ZB 6 . ? 52.012 28.144 113.282 1.00 38.45 ? ? ? ? ? ? 1742 HOH F O 1 +HETATM 25032 O O . HOH ZB 6 . ? 25.718 36.718 103.727 1.00 36.79 ? ? ? ? ? ? 1760 HOH F O 1 +HETATM 25033 O O . HOH ZB 6 . ? 54.204 43.460 125.706 1.00 42.83 ? ? ? ? ? ? 1764 HOH F O 1 +HETATM 25034 O O . HOH ZB 6 . ? 52.672 26.285 135.653 1.00 37.93 ? ? ? ? ? ? 1812 HOH F O 1 +HETATM 25035 O O . HOH ZB 6 . ? 33.681 31.573 141.995 1.00 40.36 ? ? ? ? ? ? 1813 HOH F O 1 +HETATM 25036 O O . HOH ZB 6 . ? 16.239 52.548 115.980 1.00 39.69 ? ? ? ? ? ? 1820 HOH F O 1 +HETATM 25037 O O . HOH ZB 6 . ? 15.248 62.430 136.563 1.00 46.11 ? ? ? ? ? ? 1824 HOH F O 1 +HETATM 25038 O O . HOH ZB 6 . ? 14.431 49.236 116.783 1.00 38.84 ? ? ? ? ? ? 1825 HOH F O 1 +HETATM 25039 O O . HOH ZB 6 . ? 15.228 36.004 123.175 1.00 43.80 ? ? ? ? ? ? 1834 HOH F O 1 +HETATM 25040 O O . HOH ZB 6 . ? 4.744 55.823 132.169 1.00 38.83 ? ? ? ? ? ? 1836 HOH F O 1 +HETATM 25041 O O . HOH ZB 6 . ? 50.222 21.049 125.569 1.00 41.21 ? ? ? ? ? ? 1886 HOH F O 1 +HETATM 25042 O O . HOH ZB 6 . ? 31.580 30.974 104.843 1.00 40.28 ? ? ? ? ? ? 1893 HOH F O 1 +HETATM 25043 O O . HOH ZB 6 . ? 30.478 29.088 107.132 1.00 39.89 ? ? ? ? ? ? 1910 HOH F O 1 +HETATM 25044 O O . HOH ZB 6 . ? 24.950 52.956 135.456 1.00 38.66 ? ? ? ? ? ? 1919 HOH F O 1 +HETATM 25045 O O . HOH ZB 6 . ? 7.801 35.507 105.487 1.00 38.47 ? ? ? ? ? ? 1930 HOH F O 1 +HETATM 25046 O O . HOH ZB 6 . ? 44.776 35.947 140.834 1.00 41.68 ? ? ? ? ? ? 1965 HOH F O 1 +HETATM 25047 O O . HOH ZB 6 . ? 51.358 40.095 139.515 1.00 42.39 ? ? ? ? ? ? 1978 HOH F O 1 +HETATM 25048 O O . HOH ZB 6 . ? 55.286 35.866 131.228 1.00 42.12 ? ? ? ? ? ? 1979 HOH F O 1 +HETATM 25049 O O . HOH ZB 6 . ? 44.303 36.241 146.354 1.00 45.25 ? ? ? ? ? ? 2000 HOH F O 1 +HETATM 25050 O O . HOH ZB 6 . ? 16.703 27.347 142.678 1.00 41.81 ? ? ? ? ? ? 2039 HOH F O 1 +HETATM 25051 O O . HOH ZB 6 . ? 19.968 34.119 100.814 1.00 39.84 ? ? ? ? ? ? 2041 HOH F O 1 +HETATM 25052 O O . HOH ZB 6 . ? 42.385 48.888 108.850 1.00 41.58 ? ? ? ? ? ? 2045 HOH F O 1 +HETATM 25053 O O . HOH ZB 6 . ? 42.736 37.730 111.384 1.00 48.43 ? ? ? ? ? ? 2047 HOH F O 1 +HETATM 25054 O O . HOH ZB 6 . ? 20.797 33.402 103.174 1.00 44.05 ? ? ? ? ? ? 2057 HOH F O 1 +HETATM 25055 O O . HOH ZB 6 . ? 37.031 26.607 109.507 1.00 45.91 ? ? ? ? ? ? 2060 HOH F O 1 +HETATM 25056 O O . HOH ZB 6 . ? 26.386 53.593 114.905 1.00 47.03 ? ? ? ? ? ? 2072 HOH F O 1 +HETATM 25057 O O . HOH ZB 6 . ? 10.387 28.556 138.728 1.00 42.68 ? ? ? ? ? ? 2077 HOH F O 1 +HETATM 25058 O O . HOH ZB 6 . ? 30.559 46.010 98.199 1.00 44.74 ? ? ? ? ? ? 2078 HOH F O 1 +HETATM 25059 O O . HOH ZB 6 . ? 11.965 51.528 120.341 1.00 50.00 ? ? ? ? ? ? 2095 HOH F O 1 +HETATM 25060 O O . HOH ZB 6 . ? 45.001 47.802 119.520 1.00 41.32 ? ? ? ? ? ? 2097 HOH F O 1 +HETATM 25061 O O . HOH ZB 6 . ? 27.339 43.118 136.452 1.00 42.74 ? ? ? ? ? ? 2103 HOH F O 1 +HETATM 25062 O O . HOH ZB 6 . ? 53.049 27.025 115.282 1.00 46.06 ? ? ? ? ? ? 2162 HOH F O 1 +HETATM 25063 O O . HOH ZB 6 . ? 12.868 28.754 139.051 1.00 42.96 ? ? ? ? ? ? 2166 HOH F O 1 +HETATM 25064 O O . HOH ZB 6 . ? 19.375 23.300 143.331 1.00 44.27 ? ? ? ? ? ? 2172 HOH F O 1 +HETATM 25065 O O . HOH ZB 6 . ? 18.132 44.158 126.751 1.00 47.68 ? ? ? ? ? ? 2182 HOH F O 1 +HETATM 25066 O O . HOH ZB 6 . ? 28.796 51.315 108.109 1.00 46.74 ? ? ? ? ? ? 2189 HOH F O 1 +HETATM 25067 O O . HOH ZB 6 . ? 42.736 41.954 112.770 1.00 45.93 ? ? ? ? ? ? 2190 HOH F O 1 +HETATM 25068 O O . HOH ZB 6 . ? 36.313 25.537 143.927 1.00 51.57 ? ? ? ? ? ? 2209 HOH F O 1 +HETATM 25069 O O . HOH ZB 6 . ? 22.322 43.641 131.634 1.00 50.31 ? ? ? ? ? ? 2213 HOH F O 1 +HETATM 25070 O O . HOH ZB 6 . ? 2.696 38.627 128.753 1.00 49.87 ? ? ? ? ? ? 2234 HOH F O 1 +HETATM 25071 O O . HOH ZB 6 . ? 8.830 25.917 141.215 1.00 47.94 ? ? ? ? ? ? 2238 HOH F O 1 +HETATM 25072 O O . HOH AC 6 . ? 34.951 108.758 126.892 1.00 14.67 ? ? ? ? ? ? 257 HOH G O 1 +HETATM 25073 O O . HOH AC 6 . ? 27.715 117.461 115.163 1.00 18.21 ? ? ? ? ? ? 258 HOH G O 1 +HETATM 25074 O O . HOH AC 6 . ? 15.260 115.521 115.851 1.00 17.32 ? ? ? ? ? ? 259 HOH G O 1 +HETATM 25075 O O . HOH AC 6 . ? 13.580 92.507 133.872 1.00 18.45 ? ? ? ? ? ? 260 HOH G O 1 +HETATM 25076 O O . HOH AC 6 . ? 18.902 97.631 135.587 1.00 18.61 ? ? ? ? ? ? 261 HOH G O 1 +HETATM 25077 O O . HOH AC 6 . ? 39.985 112.155 138.006 1.00 17.15 ? ? ? ? ? ? 262 HOH G O 1 +HETATM 25078 O O . HOH AC 6 . ? 16.403 113.415 114.583 1.00 19.87 ? ? ? ? ? ? 263 HOH G O 1 +HETATM 25079 O O . HOH AC 6 . ? 33.275 122.130 136.095 1.00 20.40 ? ? ? ? ? ? 264 HOH G O 1 +HETATM 25080 O O . HOH AC 6 . ? 18.847 98.488 117.660 1.00 19.83 ? ? ? ? ? ? 265 HOH G O 1 +HETATM 25081 O O . HOH AC 6 . ? 29.258 116.645 133.496 1.00 23.00 ? ? ? ? ? ? 266 HOH G O 1 +HETATM 25082 O O . HOH AC 6 . ? 24.438 115.670 107.903 1.00 18.17 ? ? ? ? ? ? 267 HOH G O 1 +HETATM 25083 O O . HOH AC 6 . ? 33.422 111.507 132.642 1.00 20.49 ? ? ? ? ? ? 268 HOH G O 1 +HETATM 25084 O O . HOH AC 6 . ? 23.844 117.973 149.296 1.00 21.55 ? ? ? ? ? ? 269 HOH G O 1 +HETATM 25085 O O . HOH AC 6 . ? 33.755 103.835 114.046 1.00 22.67 ? ? ? ? ? ? 304 HOH G O 1 +HETATM 25086 O O . HOH AC 6 . ? 39.728 121.283 137.545 1.00 23.21 ? ? ? ? ? ? 314 HOH G O 1 +HETATM 25087 O O . HOH AC 6 . ? 30.351 113.795 119.109 1.00 22.68 ? ? ? ? ? ? 369 HOH G O 1 +HETATM 25088 O O . HOH AC 6 . ? 33.879 117.558 131.671 1.00 23.95 ? ? ? ? ? ? 380 HOH G O 1 +HETATM 25089 O O . HOH AC 6 . ? 40.070 105.641 120.864 1.00 22.55 ? ? ? ? ? ? 394 HOH G O 1 +HETATM 25090 O O . HOH AC 6 . ? 26.513 110.134 108.773 1.00 23.76 ? ? ? ? ? ? 422 HOH G O 1 +HETATM 25091 O O . HOH AC 6 . ? 30.090 120.626 151.019 1.00 24.61 ? ? ? ? ? ? 427 HOH G O 1 +HETATM 25092 O O . HOH AC 6 . ? 25.265 118.485 120.290 1.00 24.86 ? ? ? ? ? ? 448 HOH G O 1 +HETATM 25093 O O . HOH AC 6 . ? 10.805 95.781 141.828 1.00 24.24 ? ? ? ? ? ? 452 HOH G O 1 +HETATM 25094 O O . HOH AC 6 . ? 34.451 103.067 129.193 1.00 24.11 ? ? ? ? ? ? 489 HOH G O 1 +HETATM 25095 O O . HOH AC 6 . ? 19.552 104.859 134.060 1.00 25.26 ? ? ? ? ? ? 511 HOH G O 1 +HETATM 25096 O O . HOH AC 6 . ? 18.944 111.675 140.943 1.00 25.68 ? ? ? ? ? ? 515 HOH G O 1 +HETATM 25097 O O . HOH AC 6 . ? 22.954 132.364 136.727 1.00 23.09 ? ? ? ? ? ? 526 HOH G O 1 +HETATM 25098 O O . HOH AC 6 . ? 36.567 126.130 138.363 1.00 23.35 ? ? ? ? ? ? 533 HOH G O 1 +HETATM 25099 O O . HOH AC 6 . ? 29.428 108.945 111.001 1.00 25.17 ? ? ? ? ? ? 544 HOH G O 1 +HETATM 25100 O O . HOH AC 6 . ? 34.387 132.797 114.157 1.00 24.44 ? ? ? ? ? ? 551 HOH G O 1 +HETATM 25101 O O . HOH AC 6 . ? 18.715 131.057 137.823 1.00 25.67 ? ? ? ? ? ? 561 HOH G O 1 +HETATM 25102 O O . HOH AC 6 . ? 14.949 111.203 114.126 1.00 26.59 ? ? ? ? ? ? 568 HOH G O 1 +HETATM 25103 O O . HOH AC 6 . ? 36.772 127.442 143.144 1.00 26.25 ? ? ? ? ? ? 569 HOH G O 1 +HETATM 25104 O O . HOH AC 6 . ? 31.970 121.622 133.292 1.00 26.40 ? ? ? ? ? ? 587 HOH G O 1 +HETATM 25105 O O . HOH AC 6 . ? 25.755 115.940 149.688 1.00 26.80 ? ? ? ? ? ? 591 HOH G O 1 +HETATM 25106 O O . HOH AC 6 . ? 35.824 117.526 128.963 1.00 26.51 ? ? ? ? ? ? 613 HOH G O 1 +HETATM 25107 O O . HOH AC 6 . ? 18.404 120.571 144.218 1.00 24.67 ? ? ? ? ? ? 639 HOH G O 1 +HETATM 25108 O O . HOH AC 6 . ? 46.142 135.514 123.184 1.00 27.21 ? ? ? ? ? ? 643 HOH G O 1 +HETATM 25109 O O . HOH AC 6 . ? 27.688 122.236 151.702 1.00 27.52 ? ? ? ? ? ? 647 HOH G O 1 +HETATM 25110 O O . HOH AC 6 . ? 8.902 111.658 134.043 1.00 28.30 ? ? ? ? ? ? 710 HOH G O 1 +HETATM 25111 O O . HOH AC 6 . ? 20.418 131.198 133.420 1.00 27.99 ? ? ? ? ? ? 728 HOH G O 1 +HETATM 25112 O O . HOH AC 6 . ? 20.422 132.506 136.122 1.00 28.40 ? ? ? ? ? ? 747 HOH G O 1 +HETATM 25113 O O . HOH AC 6 . ? 32.408 118.423 129.752 1.00 28.99 ? ? ? ? ? ? 754 HOH G O 1 +HETATM 25114 O O . HOH AC 6 . ? 37.325 116.635 125.576 1.00 29.58 ? ? ? ? ? ? 755 HOH G O 1 +HETATM 25115 O O . HOH AC 6 . ? 6.771 100.975 116.102 1.00 28.44 ? ? ? ? ? ? 762 HOH G O 1 +HETATM 25116 O O . HOH AC 6 . ? 12.497 114.217 108.257 1.00 31.52 ? ? ? ? ? ? 793 HOH G O 1 +HETATM 25117 O O . HOH AC 6 . ? 11.175 126.721 114.004 1.00 28.37 ? ? ? ? ? ? 797 HOH G O 1 +HETATM 25118 O O . HOH AC 6 . ? 24.895 118.392 123.062 1.00 30.86 ? ? ? ? ? ? 807 HOH G O 1 +HETATM 25119 O O . HOH AC 6 . ? 28.712 104.762 111.975 1.00 29.32 ? ? ? ? ? ? 809 HOH G O 1 +HETATM 25120 O O . HOH AC 6 . ? 20.456 110.868 104.459 1.00 31.14 ? ? ? ? ? ? 813 HOH G O 1 +HETATM 25121 O O . HOH AC 6 . ? 27.492 116.652 151.628 1.00 28.46 ? ? ? ? ? ? 814 HOH G O 1 +HETATM 25122 O O . HOH AC 6 . ? 30.981 102.866 113.146 1.00 29.96 ? ? ? ? ? ? 838 HOH G O 1 +HETATM 25123 O O . HOH AC 6 . ? 36.622 109.133 142.704 1.00 28.84 ? ? ? ? ? ? 843 HOH G O 1 +HETATM 25124 O O . HOH AC 6 . ? 38.659 111.998 145.432 1.00 28.63 ? ? ? ? ? ? 847 HOH G O 1 +HETATM 25125 O O . HOH AC 6 . ? 20.754 104.531 139.531 1.00 32.53 ? ? ? ? ? ? 890 HOH G O 1 +HETATM 25126 O O . HOH AC 6 . ? 24.408 111.025 149.692 1.00 39.87 ? ? ? ? ? ? 891 HOH G O 1 +HETATM 25127 O O . HOH AC 6 . ? 33.166 120.266 121.514 1.00 27.69 ? ? ? ? ? ? 903 HOH G O 1 +HETATM 25128 O O . HOH AC 6 . ? 22.571 99.720 138.192 1.00 30.74 ? ? ? ? ? ? 913 HOH G O 1 +HETATM 25129 O O . HOH AC 6 . ? 49.437 134.738 118.115 1.00 30.00 ? ? ? ? ? ? 917 HOH G O 1 +HETATM 25130 O O . HOH AC 6 . ? 43.658 127.502 138.342 1.00 29.91 ? ? ? ? ? ? 956 HOH G O 1 +HETATM 25131 O O . HOH AC 6 . ? 39.137 125.096 122.090 1.00 31.95 ? ? ? ? ? ? 958 HOH G O 1 +HETATM 25132 O O . HOH AC 6 . ? 51.706 134.053 121.494 1.00 31.50 ? ? ? ? ? ? 960 HOH G O 1 +HETATM 25133 O O . HOH AC 6 . ? 18.776 117.805 144.197 1.00 32.91 ? ? ? ? ? ? 974 HOH G O 1 +HETATM 25134 O O . HOH AC 6 . ? 23.058 124.249 133.496 1.00 31.50 ? ? ? ? ? ? 981 HOH G O 1 +HETATM 25135 O O . HOH AC 6 . ? 35.477 129.749 117.066 1.00 29.24 ? ? ? ? ? ? 982 HOH G O 1 +HETATM 25136 O O . HOH AC 6 . ? 21.571 124.538 148.753 1.00 31.25 ? ? ? ? ? ? 983 HOH G O 1 +HETATM 25137 O O . HOH AC 6 . ? 3.770 85.989 132.805 1.00 27.25 ? ? ? ? ? ? 1012 HOH G O 1 +HETATM 25138 O O . HOH AC 6 . ? 7.710 112.430 117.679 1.00 31.44 ? ? ? ? ? ? 1029 HOH G O 1 +HETATM 25139 O O . HOH AC 6 . ? 9.013 126.311 129.150 1.00 32.33 ? ? ? ? ? ? 1037 HOH G O 1 +HETATM 25140 O O . HOH AC 6 . ? 5.182 103.125 126.856 1.00 30.04 ? ? ? ? ? ? 1038 HOH G O 1 +HETATM 25141 O O . HOH AC 6 . ? 24.391 123.120 113.122 1.00 31.91 ? ? ? ? ? ? 1057 HOH G O 1 +HETATM 25142 O O . HOH AC 6 . ? 5.118 110.697 141.333 1.00 30.93 ? ? ? ? ? ? 1064 HOH G O 1 +HETATM 25143 O O . HOH AC 6 . ? 27.106 117.472 124.211 1.00 31.84 ? ? ? ? ? ? 1069 HOH G O 1 +HETATM 25144 O O . HOH AC 6 . ? 45.073 119.842 116.762 1.00 30.53 ? ? ? ? ? ? 1070 HOH G O 1 +HETATM 25145 O O . HOH AC 6 . ? 20.236 110.092 106.810 1.00 34.97 ? ? ? ? ? ? 1074 HOH G O 1 +HETATM 25146 O O . HOH AC 6 . ? 22.774 122.832 125.643 1.00 31.05 ? ? ? ? ? ? 1109 HOH G O 1 +HETATM 25147 O O . HOH AC 6 . ? 7.674 111.173 141.099 1.00 35.56 ? ? ? ? ? ? 1111 HOH G O 1 +HETATM 25148 O O . HOH AC 6 . ? 16.891 105.576 141.025 1.00 30.54 ? ? ? ? ? ? 1139 HOH G O 1 +HETATM 25149 O O . HOH AC 6 . ? 5.814 110.545 115.504 1.00 29.57 ? ? ? ? ? ? 1153 HOH G O 1 +HETATM 25150 O O . HOH AC 6 . ? 25.284 127.473 143.828 1.00 33.51 ? ? ? ? ? ? 1158 HOH G O 1 +HETATM 25151 O O . HOH AC 6 . ? 4.601 88.085 131.675 1.00 28.36 ? ? ? ? ? ? 1159 HOH G O 1 +HETATM 25152 O O . HOH AC 6 . ? 20.478 99.810 113.818 1.00 34.61 ? ? ? ? ? ? 1196 HOH G O 1 +HETATM 25153 O O . HOH AC 6 . ? 33.119 116.209 118.868 1.00 33.22 ? ? ? ? ? ? 1207 HOH G O 1 +HETATM 25154 O O . HOH AC 6 . ? 26.756 102.740 111.693 1.00 33.90 ? ? ? ? ? ? 1214 HOH G O 1 +HETATM 25155 O O . HOH AC 6 . ? 32.744 115.400 149.115 1.00 31.29 ? ? ? ? ? ? 1215 HOH G O 1 +HETATM 25156 O O . HOH AC 6 . ? 0.549 103.927 132.561 1.00 33.46 ? ? ? ? ? ? 1216 HOH G O 1 +HETATM 25157 O O . HOH AC 6 . ? 47.721 122.415 142.059 1.00 31.88 ? ? ? ? ? ? 1233 HOH G O 1 +HETATM 25158 O O . HOH AC 6 . ? 16.231 111.504 142.285 1.00 35.84 ? ? ? ? ? ? 1235 HOH G O 1 +HETATM 25159 O O . HOH AC 6 . ? 22.987 109.579 112.426 1.00 36.24 ? ? ? ? ? ? 1256 HOH G O 1 +HETATM 25160 O O . HOH AC 6 . ? 39.403 128.822 137.882 1.00 34.41 ? ? ? ? ? ? 1261 HOH G O 1 +HETATM 25161 O O . HOH AC 6 . ? 0.081 114.507 138.403 1.00 31.57 ? ? ? ? ? ? 1264 HOH G O 1 +HETATM 25162 O O . HOH AC 6 . ? 27.897 124.781 134.708 1.00 36.81 ? ? ? ? ? ? 1265 HOH G O 1 +HETATM 25163 O O . HOH AC 6 . ? 8.737 112.583 143.116 1.00 34.86 ? ? ? ? ? ? 1279 HOH G O 1 +HETATM 25164 O O . HOH AC 6 . ? 46.909 111.705 123.531 1.00 35.44 ? ? ? ? ? ? 1292 HOH G O 1 +HETATM 25165 O O . HOH AC 6 . ? 33.785 127.407 149.886 1.00 35.25 ? ? ? ? ? ? 1295 HOH G O 1 +HETATM 25166 O O . HOH AC 6 . ? 9.263 124.351 133.801 1.00 37.23 ? ? ? ? ? ? 1326 HOH G O 1 +HETATM 25167 O O . HOH AC 6 . ? 19.503 108.991 140.285 1.00 32.91 ? ? ? ? ? ? 1351 HOH G O 1 +HETATM 25168 O O . HOH AC 6 . ? 29.697 126.357 134.413 1.00 31.93 ? ? ? ? ? ? 1355 HOH G O 1 +HETATM 25169 O O . HOH AC 6 . ? 18.127 127.182 143.367 1.00 36.84 ? ? ? ? ? ? 1356 HOH G O 1 +HETATM 25170 O O . HOH AC 6 . ? 9.005 108.403 123.549 1.00 37.55 ? ? ? ? ? ? 1359 HOH G O 1 +HETATM 25171 O O . HOH AC 6 . ? 13.773 100.413 113.645 1.00 31.03 ? ? ? ? ? ? 1361 HOH G O 1 +HETATM 25172 O O . HOH AC 6 . ? 47.584 120.750 139.909 1.00 31.26 ? ? ? ? ? ? 1376 HOH G O 1 +HETATM 25173 O O . HOH AC 6 . ? 39.530 130.457 140.183 1.00 35.33 ? ? ? ? ? ? 1386 HOH G O 1 +HETATM 25174 O O . HOH AC 6 . ? 6.681 116.270 116.396 1.00 33.23 ? ? ? ? ? ? 1391 HOH G O 1 +HETATM 25175 O O . HOH AC 6 . ? 41.901 128.911 136.627 1.00 31.96 ? ? ? ? ? ? 1403 HOH G O 1 +HETATM 25176 O O . HOH AC 6 . ? 46.375 116.472 131.810 1.00 36.34 ? ? ? ? ? ? 1418 HOH G O 1 +HETATM 25177 O O . HOH AC 6 . ? 29.117 134.151 140.178 1.00 35.18 ? ? ? ? ? ? 1421 HOH G O 1 +HETATM 25178 O O . HOH AC 6 . ? 4.552 99.392 137.882 1.00 35.50 ? ? ? ? ? ? 1428 HOH G O 1 +HETATM 25179 O O . HOH AC 6 . ? 28.111 126.823 150.222 1.00 34.55 ? ? ? ? ? ? 1446 HOH G O 1 +HETATM 25180 O O . HOH AC 6 . ? 24.785 100.213 136.828 1.00 38.43 ? ? ? ? ? ? 1489 HOH G O 1 +HETATM 25181 O O . HOH AC 6 . ? 28.880 120.555 123.214 1.00 36.50 ? ? ? ? ? ? 1500 HOH G O 1 +HETATM 25182 O O . HOH AC 6 . ? 4.492 121.731 131.183 1.00 37.64 ? ? ? ? ? ? 1512 HOH G O 1 +HETATM 25183 O O . HOH AC 6 . ? 38.195 127.685 121.493 1.00 38.03 ? ? ? ? ? ? 1541 HOH G O 1 +HETATM 25184 O O . HOH AC 6 . ? 35.316 114.042 151.523 1.00 35.59 ? ? ? ? ? ? 1554 HOH G O 1 +HETATM 25185 O O . HOH AC 6 . ? 35.114 116.632 149.717 1.00 37.26 ? ? ? ? ? ? 1556 HOH G O 1 +HETATM 25186 O O . HOH AC 6 . ? 3.802 101.363 139.467 1.00 41.25 ? ? ? ? ? ? 1557 HOH G O 1 +HETATM 25187 O O . HOH AC 6 . ? 16.900 121.102 146.410 1.00 37.70 ? ? ? ? ? ? 1574 HOH G O 1 +HETATM 25188 O O . HOH AC 6 . ? 13.605 121.364 140.816 1.00 38.40 ? ? ? ? ? ? 1589 HOH G O 1 +HETATM 25189 O O . HOH AC 6 . ? 34.982 128.862 132.208 1.00 39.65 ? ? ? ? ? ? 1623 HOH G O 1 +HETATM 25190 O O . HOH AC 6 . ? 5.053 111.424 117.809 1.00 33.83 ? ? ? ? ? ? 1624 HOH G O 1 +HETATM 25191 O O . HOH AC 6 . ? 42.502 120.813 147.209 1.00 36.77 ? ? ? ? ? ? 1625 HOH G O 1 +HETATM 25192 O O . HOH AC 6 . ? 47.206 110.514 121.773 1.00 33.65 ? ? ? ? ? ? 1628 HOH G O 1 +HETATM 25193 O O . HOH AC 6 . ? 18.078 129.389 141.788 1.00 37.33 ? ? ? ? ? ? 1656 HOH G O 1 +HETATM 25194 O O . HOH AC 6 . ? 4.641 108.308 114.952 1.00 35.97 ? ? ? ? ? ? 1661 HOH G O 1 +HETATM 25195 O O . HOH AC 6 . ? 17.948 116.809 109.098 1.00 38.73 ? ? ? ? ? ? 1672 HOH G O 1 +HETATM 25196 O O . HOH AC 6 . ? 18.403 127.077 128.981 1.00 40.24 ? ? ? ? ? ? 1674 HOH G O 1 +HETATM 25197 O O . HOH AC 6 . ? 6.400 100.813 127.235 1.00 40.34 ? ? ? ? ? ? 1690 HOH G O 1 +HETATM 25198 O O . HOH AC 6 . ? 12.162 115.723 141.560 1.00 38.22 ? ? ? ? ? ? 1691 HOH G O 1 +HETATM 25199 O O . HOH AC 6 . ? 37.242 101.217 111.785 1.00 41.69 ? ? ? ? ? ? 1699 HOH G O 1 +HETATM 25200 O O . HOH AC 6 . ? 4.043 97.471 134.749 1.00 38.18 ? ? ? ? ? ? 1712 HOH G O 1 +HETATM 25201 O O . HOH AC 6 . ? 34.787 118.654 151.267 1.00 35.66 ? ? ? ? ? ? 1713 HOH G O 1 +HETATM 25202 O O . HOH AC 6 . ? 48.241 129.642 133.282 1.00 36.34 ? ? ? ? ? ? 1719 HOH G O 1 +HETATM 25203 O O . HOH AC 6 . ? 47.630 115.206 129.157 1.00 39.00 ? ? ? ? ? ? 1757 HOH G O 1 +HETATM 25204 O O . HOH AC 6 . ? 33.885 134.235 116.681 1.00 39.95 ? ? ? ? ? ? 1765 HOH G O 1 +HETATM 25205 O O . HOH AC 6 . ? 28.743 114.316 153.284 1.00 36.70 ? ? ? ? ? ? 1768 HOH G O 1 +HETATM 25206 O O . HOH AC 6 . ? 8.808 114.900 114.873 1.00 38.14 ? ? ? ? ? ? 1785 HOH G O 1 +HETATM 25207 O O . HOH AC 6 . ? 22.364 129.518 129.955 1.00 37.69 ? ? ? ? ? ? 1792 HOH G O 1 +HETATM 25208 O O . HOH AC 6 . ? 25.074 109.505 147.543 1.00 40.13 ? ? ? ? ? ? 1805 HOH G O 1 +HETATM 25209 O O . HOH AC 6 . ? 26.853 119.086 117.259 1.00 38.84 ? ? ? ? ? ? 1816 HOH G O 1 +HETATM 25210 O O . HOH AC 6 . ? 22.327 124.744 114.359 1.00 39.81 ? ? ? ? ? ? 1823 HOH G O 1 +HETATM 25211 O O . HOH AC 6 . ? 4.378 106.320 113.898 1.00 40.34 ? ? ? ? ? ? 1845 HOH G O 1 +HETATM 25212 O O . HOH AC 6 . ? 17.229 107.917 141.873 1.00 42.06 ? ? ? ? ? ? 1846 HOH G O 1 +HETATM 25213 O O . HOH AC 6 . ? 8.518 106.316 108.965 1.00 35.77 ? ? ? ? ? ? 1870 HOH G O 1 +HETATM 25214 O O . HOH AC 6 . ? 24.103 102.668 134.753 1.00 42.10 ? ? ? ? ? ? 1874 HOH G O 1 +HETATM 25215 O O . HOH AC 6 . ? 49.453 130.896 131.446 1.00 41.88 ? ? ? ? ? ? 1875 HOH G O 1 +HETATM 25216 O O . HOH AC 6 . ? 45.550 121.689 135.593 1.00 40.58 ? ? ? ? ? ? 1891 HOH G O 1 +HETATM 25217 O O . HOH AC 6 . ? 40.523 108.729 147.004 1.00 43.10 ? ? ? ? ? ? 1894 HOH G O 1 +HETATM 25218 O O . HOH AC 6 . ? 35.360 124.174 149.038 1.00 41.78 ? ? ? ? ? ? 1900 HOH G O 1 +HETATM 25219 O O . HOH AC 6 . ? 10.021 106.162 110.742 1.00 40.41 ? ? ? ? ? ? 1917 HOH G O 1 +HETATM 25220 O O . HOH AC 6 . ? 7.481 99.257 124.469 1.00 41.72 ? ? ? ? ? ? 1922 HOH G O 1 +HETATM 25221 O O . HOH AC 6 . ? 47.380 123.225 138.302 1.00 44.00 ? ? ? ? ? ? 1935 HOH G O 1 +HETATM 25222 O O . HOH AC 6 . ? 18.793 103.086 112.893 1.00 38.27 ? ? ? ? ? ? 1946 HOH G O 1 +HETATM 25223 O O . HOH AC 6 . ? 54.266 119.818 126.929 1.00 44.24 ? ? ? ? ? ? 1997 HOH G O 1 +HETATM 25224 O O . HOH AC 6 . ? 52.872 115.681 123.186 1.00 42.69 ? ? ? ? ? ? 2016 HOH G O 1 +HETATM 25225 O O . HOH AC 6 . ? 3.889 125.600 115.933 1.00 38.84 ? ? ? ? ? ? 2020 HOH G O 1 +HETATM 25226 O O . HOH AC 6 . ? 50.621 120.596 120.289 1.00 41.47 ? ? ? ? ? ? 2021 HOH G O 1 +HETATM 25227 O O . HOH AC 6 . ? 50.116 117.945 131.122 1.00 41.37 ? ? ? ? ? ? 2023 HOH G O 1 +HETATM 25228 O O . HOH AC 6 . ? 46.804 113.082 121.243 1.00 41.54 ? ? ? ? ? ? 2024 HOH G O 1 +HETATM 25229 O O . HOH AC 6 . ? 50.128 123.394 131.378 1.00 41.83 ? ? ? ? ? ? 2040 HOH G O 1 +HETATM 25230 O O . HOH AC 6 . ? 43.999 137.599 122.530 1.00 42.06 ? ? ? ? ? ? 2054 HOH G O 1 +HETATM 25231 O O . HOH AC 6 . ? 11.432 127.176 133.632 1.00 45.95 ? ? ? ? ? ? 2063 HOH G O 1 +HETATM 25232 O O . HOH AC 6 . ? 30.113 117.345 151.327 1.00 42.51 ? ? ? ? ? ? 2075 HOH G O 1 +HETATM 25233 O O . HOH AC 6 . ? 0.519 119.035 115.174 1.00 40.45 ? ? ? ? ? ? 2089 HOH G O 1 +HETATM 25234 O O . HOH AC 6 . ? 36.050 129.062 126.603 1.00 40.99 ? ? ? ? ? ? 2096 HOH G O 1 +HETATM 25235 O O . HOH AC 6 . ? 7.640 124.112 130.905 1.00 45.08 ? ? ? ? ? ? 2098 HOH G O 1 +HETATM 25236 O O . HOH AC 6 . ? 40.169 100.742 113.078 1.00 42.59 ? ? ? ? ? ? 2122 HOH G O 1 +HETATM 25237 O O . HOH AC 6 . ? 38.203 127.174 125.798 1.00 43.26 ? ? ? ? ? ? 2125 HOH G O 1 +HETATM 25238 O O . HOH AC 6 . ? 3.350 126.405 113.297 1.00 46.62 ? ? ? ? ? ? 2127 HOH G O 1 +HETATM 25239 O O . HOH AC 6 . ? 38.126 122.325 126.977 1.00 51.36 ? ? ? ? ? ? 2155 HOH G O 1 +HETATM 25240 O O . HOH AC 6 . ? 50.728 114.320 123.039 1.00 38.02 ? ? ? ? ? ? 2164 HOH G O 1 +HETATM 25241 O O . HOH AC 6 . ? 42.099 127.301 134.733 1.00 43.52 ? ? ? ? ? ? 2181 HOH G O 1 +HETATM 25242 O O . HOH AC 6 . ? 42.337 130.249 125.637 1.00 47.84 ? ? ? ? ? ? 2197 HOH G O 1 +HETATM 25243 O O . HOH AC 6 . ? 42.670 128.749 129.760 1.00 47.45 ? ? ? ? ? ? 2222 HOH G O 1 +HETATM 25244 O O . HOH AC 6 . ? 20.541 103.599 111.034 1.00 38.00 ? ? ? ? ? ? 2226 HOH G O 1 +HETATM 25245 O O . HOH AC 6 . ? 53.769 117.409 125.511 1.00 49.63 ? ? ? ? ? ? 2227 HOH G O 1 +HETATM 25246 O O . HOH AC 6 . ? 5.590 106.734 124.079 1.00 34.22 ? ? ? ? ? ? 2250 HOH G O 1 +HETATM 25247 O O . HOH AC 6 . ? 22.989 108.421 107.913 1.00 31.86 ? ? ? ? ? ? 2253 HOH G O 1 +HETATM 25248 O O . HOH BC 6 . ? 32.658 86.133 116.585 1.00 13.67 ? ? ? ? ? ? 255 HOH H O 1 +HETATM 25249 O O . HOH BC 6 . ? 43.476 90.262 119.635 1.00 15.13 ? ? ? ? ? ? 256 HOH H O 1 +HETATM 25250 O O . HOH BC 6 . ? 44.296 88.462 121.295 1.00 14.08 ? ? ? ? ? ? 257 HOH H O 1 +HETATM 25251 O O . HOH BC 6 . ? 32.612 93.088 143.666 1.00 15.17 ? ? ? ? ? ? 258 HOH H O 1 +HETATM 25252 O O . HOH BC 6 . ? 21.469 92.878 131.112 1.00 16.34 ? ? ? ? ? ? 259 HOH H O 1 +HETATM 25253 O O . HOH BC 6 . ? 25.453 77.274 144.515 1.00 15.69 ? ? ? ? ? ? 260 HOH H O 1 +HETATM 25254 O O . HOH BC 6 . ? 25.202 87.934 133.390 1.00 16.84 ? ? ? ? ? ? 261 HOH H O 1 +HETATM 25255 O O . HOH BC 6 . ? 14.623 77.461 140.491 1.00 18.04 ? ? ? ? ? ? 262 HOH H O 1 +HETATM 25256 O O . HOH BC 6 . ? 21.932 95.364 125.000 1.00 17.28 ? ? ? ? ? ? 263 HOH H O 1 +HETATM 25257 O O . HOH BC 6 . ? 16.511 78.478 136.198 1.00 19.47 ? ? ? ? ? ? 264 HOH H O 1 +HETATM 25258 O O . HOH BC 6 . ? 44.889 92.687 119.484 1.00 18.77 ? ? ? ? ? ? 265 HOH H O 1 +HETATM 25259 O O . HOH BC 6 . ? 33.690 81.632 128.252 1.00 18.58 ? ? ? ? ? ? 266 HOH H O 1 +HETATM 25260 O O . HOH BC 6 . ? 30.181 86.691 125.427 1.00 18.72 ? ? ? ? ? ? 267 HOH H O 1 +HETATM 25261 O O . HOH BC 6 . ? 21.356 86.647 130.350 1.00 18.87 ? ? ? ? ? ? 268 HOH H O 1 +HETATM 25262 O O . HOH BC 6 . ? 35.797 93.184 110.806 1.00 22.19 ? ? ? ? ? ? 269 HOH H O 1 +HETATM 25263 O O . HOH BC 6 . ? 13.655 83.326 134.039 1.00 21.66 ? ? ? ? ? ? 270 HOH H O 1 +HETATM 25264 O O . HOH BC 6 . ? 25.704 83.689 120.940 1.00 19.80 ? ? ? ? ? ? 271 HOH H O 1 +HETATM 25265 O O . HOH BC 6 . ? 14.393 80.308 146.894 1.00 22.53 ? ? ? ? ? ? 272 HOH H O 1 +HETATM 25266 O O . HOH BC 6 . ? 28.969 90.151 119.389 1.00 19.26 ? ? ? ? ? ? 273 HOH H O 1 +HETATM 25267 O O . HOH BC 6 . ? 13.493 75.798 134.881 1.00 19.19 ? ? ? ? ? ? 274 HOH H O 1 +HETATM 25268 O O . HOH BC 6 . ? 34.256 106.871 138.045 1.00 21.12 ? ? ? ? ? ? 275 HOH H O 1 +HETATM 25269 O O . HOH BC 6 . ? 20.749 82.605 151.222 1.00 21.42 ? ? ? ? ? ? 276 HOH H O 1 +HETATM 25270 O O . HOH BC 6 . ? 27.383 99.990 113.012 1.00 21.94 ? ? ? ? ? ? 277 HOH H O 1 +HETATM 25271 O O . HOH BC 6 . ? 18.671 84.336 149.782 1.00 19.89 ? ? ? ? ? ? 278 HOH H O 1 +HETATM 25272 O O . HOH BC 6 . ? 43.044 93.645 147.249 1.00 21.37 ? ? ? ? ? ? 279 HOH H O 1 +HETATM 25273 O O . HOH BC 6 . ? 34.102 99.692 136.477 1.00 22.17 ? ? ? ? ? ? 280 HOH H O 1 +HETATM 25274 O O . HOH BC 6 . ? 18.665 88.746 116.119 1.00 21.19 ? ? ? ? ? ? 281 HOH H O 1 +HETATM 25275 O O . HOH BC 6 . ? 38.047 87.837 110.878 1.00 21.66 ? ? ? ? ? ? 282 HOH H O 1 +HETATM 25276 O O . HOH BC 6 . ? 20.728 78.260 149.687 1.00 22.05 ? ? ? ? ? ? 300 HOH H O 1 +HETATM 25277 O O . HOH BC 6 . ? 11.752 92.158 118.126 1.00 21.69 ? ? ? ? ? ? 340 HOH H O 1 +HETATM 25278 O O . HOH BC 6 . ? 37.101 91.071 147.399 1.00 22.72 ? ? ? ? ? ? 352 HOH H O 1 +HETATM 25279 O O . HOH BC 6 . ? 12.769 92.858 141.432 1.00 23.23 ? ? ? ? ? ? 354 HOH H O 1 +HETATM 25280 O O . HOH BC 6 . ? 15.422 77.039 121.772 1.00 21.17 ? ? ? ? ? ? 356 HOH H O 1 +HETATM 25281 O O . HOH BC 6 . ? 25.354 86.958 150.138 1.00 22.58 ? ? ? ? ? ? 357 HOH H O 1 +HETATM 25282 O O . HOH BC 6 . ? 43.896 86.636 114.097 1.00 24.86 ? ? ? ? ? ? 372 HOH H O 1 +HETATM 25283 O O . HOH BC 6 . ? 9.547 77.084 133.869 1.00 22.86 ? ? ? ? ? ? 373 HOH H O 1 +HETATM 25284 O O . HOH BC 6 . ? 31.110 100.362 141.421 1.00 24.05 ? ? ? ? ? ? 400 HOH H O 1 +HETATM 25285 O O . HOH BC 6 . ? 26.238 98.609 135.369 1.00 24.04 ? ? ? ? ? ? 404 HOH H O 1 +HETATM 25286 O O . HOH BC 6 . ? 25.306 106.950 136.713 1.00 23.38 ? ? ? ? ? ? 414 HOH H O 1 +HETATM 25287 O O . HOH BC 6 . ? 51.020 91.476 125.579 1.00 25.09 ? ? ? ? ? ? 417 HOH H O 1 +HETATM 25288 O O . HOH BC 6 . ? 37.255 83.113 145.427 1.00 25.43 ? ? ? ? ? ? 418 HOH H O 1 +HETATM 25289 O O . HOH BC 6 . ? 25.973 87.560 118.396 1.00 22.98 ? ? ? ? ? ? 426 HOH H O 1 +HETATM 25290 O O . HOH BC 6 . ? 11.002 68.561 113.260 1.00 24.42 ? ? ? ? ? ? 432 HOH H O 1 +HETATM 25291 O O . HOH BC 6 . ? 31.731 86.950 147.000 1.00 27.74 ? ? ? ? ? ? 476 HOH H O 1 +HETATM 25292 O O . HOH BC 6 . ? 23.097 85.840 128.527 1.00 24.09 ? ? ? ? ? ? 486 HOH H O 1 +HETATM 25293 O O . HOH BC 6 . ? 44.270 93.003 140.499 1.00 24.93 ? ? ? ? ? ? 488 HOH H O 1 +HETATM 25294 O O . HOH BC 6 . ? 48.678 77.350 121.340 1.00 25.27 ? ? ? ? ? ? 495 HOH H O 1 +HETATM 25295 O O . HOH BC 6 . ? 9.489 87.921 125.911 1.00 25.05 ? ? ? ? ? ? 513 HOH H O 1 +HETATM 25296 O O . HOH BC 6 . ? 33.249 85.474 122.480 1.00 27.07 ? ? ? ? ? ? 529 HOH H O 1 +HETATM 25297 O O . HOH BC 6 . ? 17.008 76.632 147.691 1.00 25.38 ? ? ? ? ? ? 535 HOH H O 1 +HETATM 25298 O O . HOH BC 6 . ? 7.702 69.744 115.111 1.00 25.51 ? ? ? ? ? ? 537 HOH H O 1 +HETATM 25299 O O . HOH BC 6 . ? 20.204 82.260 134.807 1.00 25.60 ? ? ? ? ? ? 539 HOH H O 1 +HETATM 25300 O O . HOH BC 6 . ? 34.317 100.810 129.081 1.00 25.48 ? ? ? ? ? ? 541 HOH H O 1 +HETATM 25301 O O . HOH BC 6 . ? 30.055 100.771 112.979 1.00 24.73 ? ? ? ? ? ? 543 HOH H O 1 +HETATM 25302 O O . HOH BC 6 . ? 42.658 80.045 136.649 1.00 26.07 ? ? ? ? ? ? 546 HOH H O 1 +HETATM 25303 O O . HOH BC 6 . ? 20.213 87.492 123.345 1.00 28.04 ? ? ? ? ? ? 547 HOH H O 1 +HETATM 25304 O O . HOH BC 6 . ? 14.907 78.135 147.854 1.00 26.27 ? ? ? ? ? ? 555 HOH H O 1 +HETATM 25305 O O . HOH BC 6 . ? 39.407 95.679 113.737 1.00 26.13 ? ? ? ? ? ? 574 HOH H O 1 +HETATM 25306 O O . HOH BC 6 . ? 12.065 93.327 116.241 1.00 24.25 ? ? ? ? ? ? 577 HOH H O 1 +HETATM 25307 O O . HOH BC 6 . ? 16.882 89.890 147.063 1.00 23.27 ? ? ? ? ? ? 599 HOH H O 1 +HETATM 25308 O O . HOH BC 6 . ? 19.887 75.309 117.461 1.00 25.12 ? ? ? ? ? ? 600 HOH H O 1 +HETATM 25309 O O . HOH BC 6 . ? 31.793 84.080 146.940 1.00 28.26 ? ? ? ? ? ? 607 HOH H O 1 +HETATM 25310 O O . HOH BC 6 . ? 32.475 94.745 111.984 1.00 28.49 ? ? ? ? ? ? 614 HOH H O 1 +HETATM 25311 O O . HOH BC 6 . ? 39.858 95.240 110.951 1.00 27.78 ? ? ? ? ? ? 618 HOH H O 1 +HETATM 25312 O O . HOH BC 6 . ? 15.435 95.714 139.582 1.00 28.80 ? ? ? ? ? ? 631 HOH H O 1 +HETATM 25313 O O . HOH BC 6 . ? 50.426 101.256 134.647 1.00 28.93 ? ? ? ? ? ? 632 HOH H O 1 +HETATM 25314 O O . HOH BC 6 . ? 14.563 88.678 146.772 1.00 25.22 ? ? ? ? ? ? 637 HOH H O 1 +HETATM 25315 O O . HOH BC 6 . ? 11.782 75.847 132.990 1.00 26.79 ? ? ? ? ? ? 653 HOH H O 1 +HETATM 25316 O O . HOH BC 6 . ? 27.698 106.127 135.466 1.00 26.41 ? ? ? ? ? ? 654 HOH H O 1 +HETATM 25317 O O . HOH BC 6 . ? 16.606 69.341 143.890 1.00 28.06 ? ? ? ? ? ? 671 HOH H O 1 +HETATM 25318 O O . HOH BC 6 . ? 12.869 75.375 139.803 1.00 26.29 ? ? ? ? ? ? 672 HOH H O 1 +HETATM 25319 O O . HOH BC 6 . ? 38.470 89.255 146.333 1.00 29.63 ? ? ? ? ? ? 682 HOH H O 1 +HETATM 25320 O O . HOH BC 6 . ? 32.956 98.583 112.900 1.00 26.92 ? ? ? ? ? ? 695 HOH H O 1 +HETATM 25321 O O . HOH BC 6 . ? 24.476 73.611 116.738 1.00 25.24 ? ? ? ? ? ? 708 HOH H O 1 +HETATM 25322 O O . HOH BC 6 . ? 9.359 82.942 129.906 1.00 27.99 ? ? ? ? ? ? 734 HOH H O 1 +HETATM 25323 O O . HOH BC 6 . ? 47.712 95.845 130.154 1.00 26.39 ? ? ? ? ? ? 751 HOH H O 1 +HETATM 25324 O O . HOH BC 6 . ? 29.525 72.836 138.047 1.00 29.04 ? ? ? ? ? ? 766 HOH H O 1 +HETATM 25325 O O . HOH BC 6 . ? 10.558 80.751 145.898 1.00 28.59 ? ? ? ? ? ? 769 HOH H O 1 +HETATM 25326 O O . HOH BC 6 . ? 32.013 77.377 146.583 1.00 26.20 ? ? ? ? ? ? 773 HOH H O 1 +HETATM 25327 O O . HOH BC 6 . ? 28.715 83.621 124.092 1.00 28.72 ? ? ? ? ? ? 774 HOH H O 1 +HETATM 25328 O O . HOH BC 6 . ? 41.550 106.336 119.363 1.00 27.95 ? ? ? ? ? ? 777 HOH H O 1 +HETATM 25329 O O . HOH BC 6 . ? 9.290 70.787 119.295 1.00 30.66 ? ? ? ? ? ? 789 HOH H O 1 +HETATM 25330 O O . HOH BC 6 . ? 18.774 76.477 149.227 1.00 31.34 ? ? ? ? ? ? 799 HOH H O 1 +HETATM 25331 O O . HOH BC 6 . ? 5.206 79.991 119.887 1.00 29.13 ? ? ? ? ? ? 805 HOH H O 1 +HETATM 25332 O O . HOH BC 6 . ? 53.524 87.383 142.191 1.00 28.12 ? ? ? ? ? ? 817 HOH H O 1 +HETATM 25333 O O . HOH BC 6 . ? 34.763 100.542 113.004 1.00 28.84 ? ? ? ? ? ? 824 HOH H O 1 +HETATM 25334 O O . HOH BC 6 . ? 37.916 93.914 115.082 1.00 32.12 ? ? ? ? ? ? 828 HOH H O 1 +HETATM 25335 O O . HOH BC 6 . ? 7.731 75.043 118.556 1.00 29.16 ? ? ? ? ? ? 862 HOH H O 1 +HETATM 25336 O O . HOH BC 6 . ? 27.629 78.165 131.417 1.00 29.71 ? ? ? ? ? ? 863 HOH H O 1 +HETATM 25337 O O . HOH BC 6 . ? 13.200 67.837 119.323 1.00 29.29 ? ? ? ? ? ? 865 HOH H O 1 +HETATM 25338 O O . HOH BC 6 . ? 10.618 89.204 146.498 1.00 29.18 ? ? ? ? ? ? 870 HOH H O 1 +HETATM 25339 O O . HOH BC 6 . ? 54.299 84.992 122.785 1.00 29.09 ? ? ? ? ? ? 872 HOH H O 1 +HETATM 25340 O O . HOH BC 6 . ? 26.520 71.108 114.396 1.00 31.12 ? ? ? ? ? ? 874 HOH H O 1 +HETATM 25341 O O . HOH BC 6 . ? 37.195 86.515 147.157 1.00 36.77 ? ? ? ? ? ? 886 HOH H O 1 +HETATM 25342 O O . HOH BC 6 . ? 50.242 95.925 129.891 1.00 32.37 ? ? ? ? ? ? 911 HOH H O 1 +HETATM 25343 O O . HOH BC 6 . ? 18.678 68.684 142.425 1.00 30.52 ? ? ? ? ? ? 916 HOH H O 1 +HETATM 25344 O O . HOH BC 6 . ? 52.569 87.637 124.847 1.00 30.23 ? ? ? ? ? ? 919 HOH H O 1 +HETATM 25345 O O . HOH BC 6 . ? 22.506 82.586 132.808 1.00 27.86 ? ? ? ? ? ? 921 HOH H O 1 +HETATM 25346 O O . HOH BC 6 . ? 33.950 99.295 143.999 1.00 31.69 ? ? ? ? ? ? 924 HOH H O 1 +HETATM 25347 O O . HOH BC 6 . ? 32.181 96.004 143.020 1.00 29.96 ? ? ? ? ? ? 931 HOH H O 1 +HETATM 25348 O O . HOH BC 6 . ? 23.431 88.981 149.721 1.00 29.39 ? ? ? ? ? ? 932 HOH H O 1 +HETATM 25349 O O . HOH BC 6 . ? 15.171 92.970 147.785 1.00 32.83 ? ? ? ? ? ? 946 HOH H O 1 +HETATM 25350 O O . HOH BC 6 . ? 19.061 78.866 120.001 1.00 28.47 ? ? ? ? ? ? 949 HOH H O 1 +HETATM 25351 O O . HOH BC 6 . ? 52.951 100.323 141.622 1.00 29.58 ? ? ? ? ? ? 955 HOH H O 1 +HETATM 25352 O O . HOH BC 6 . ? 32.704 85.760 125.145 1.00 29.49 ? ? ? ? ? ? 959 HOH H O 1 +HETATM 25353 O O . HOH BC 6 . ? 47.750 89.483 119.445 1.00 32.27 ? ? ? ? ? ? 970 HOH H O 1 +HETATM 25354 O O . HOH BC 6 . ? 37.994 77.689 141.413 1.00 30.43 ? ? ? ? ? ? 978 HOH H O 1 +HETATM 25355 O O . HOH BC 6 . ? 35.611 78.685 122.621 1.00 32.82 ? ? ? ? ? ? 1021 HOH H O 1 +HETATM 25356 O O . HOH BC 6 . ? 57.606 84.573 132.478 1.00 29.68 ? ? ? ? ? ? 1052 HOH H O 1 +HETATM 25357 O O . HOH BC 6 . ? 41.707 100.430 116.912 1.00 30.29 ? ? ? ? ? ? 1068 HOH H O 1 +HETATM 25358 O O . HOH BC 6 . ? 14.951 89.655 127.202 1.00 31.30 ? ? ? ? ? ? 1106 HOH H O 1 +HETATM 25359 O O . HOH BC 6 . ? 50.778 87.823 128.796 1.00 32.61 ? ? ? ? ? ? 1113 HOH H O 1 +HETATM 25360 O O . HOH BC 6 . ? 29.488 104.917 139.442 1.00 31.67 ? ? ? ? ? ? 1117 HOH H O 1 +HETATM 25361 O O . HOH BC 6 . ? 34.411 93.139 146.127 1.00 32.99 ? ? ? ? ? ? 1129 HOH H O 1 +HETATM 25362 O O . HOH BC 6 . ? 27.809 97.802 137.185 1.00 34.45 ? ? ? ? ? ? 1131 HOH H O 1 +HETATM 25363 O O . HOH BC 6 . ? 5.729 83.731 133.659 1.00 31.97 ? ? ? ? ? ? 1132 HOH H O 1 +HETATM 25364 O O . HOH BC 6 . ? 35.859 96.601 107.743 1.00 30.42 ? ? ? ? ? ? 1152 HOH H O 1 +HETATM 25365 O O . HOH BC 6 . ? 44.275 78.917 138.719 1.00 30.69 ? ? ? ? ? ? 1186 HOH H O 1 +HETATM 25366 O O . HOH BC 6 . ? 20.946 70.157 142.388 1.00 29.78 ? ? ? ? ? ? 1190 HOH H O 1 +HETATM 25367 O O . HOH BC 6 . ? 15.586 83.479 112.699 1.00 31.51 ? ? ? ? ? ? 1192 HOH H O 1 +HETATM 25368 O O . HOH BC 6 . ? 36.768 95.519 109.970 1.00 31.89 ? ? ? ? ? ? 1219 HOH H O 1 +HETATM 25369 O O . HOH BC 6 . ? 33.274 75.169 144.899 1.00 32.23 ? ? ? ? ? ? 1222 HOH H O 1 +HETATM 25370 O O . HOH BC 6 . ? 21.057 71.770 133.871 1.00 33.95 ? ? ? ? ? ? 1223 HOH H O 1 +HETATM 25371 O O . HOH BC 6 . ? 40.567 107.195 117.019 1.00 33.00 ? ? ? ? ? ? 1236 HOH H O 1 +HETATM 25372 O O . HOH BC 6 . ? 34.581 81.251 124.115 1.00 31.10 ? ? ? ? ? ? 1245 HOH H O 1 +HETATM 25373 O O . HOH BC 6 . ? 8.514 93.121 139.131 1.00 32.24 ? ? ? ? ? ? 1248 HOH H O 1 +HETATM 25374 O O . HOH BC 6 . ? 20.146 86.563 127.085 1.00 35.98 ? ? ? ? ? ? 1257 HOH H O 1 +HETATM 25375 O O . HOH BC 6 . ? 51.271 93.117 131.950 1.00 30.93 ? ? ? ? ? ? 1268 HOH H O 1 +HETATM 25376 O O . HOH BC 6 . ? 47.349 105.580 144.731 1.00 34.15 ? ? ? ? ? ? 1269 HOH H O 1 +HETATM 25377 O O . HOH BC 6 . ? 32.748 97.066 110.600 1.00 37.93 ? ? ? ? ? ? 1276 HOH H O 1 +HETATM 25378 O O . HOH BC 6 . ? 24.030 81.767 121.521 1.00 33.04 ? ? ? ? ? ? 1280 HOH H O 1 +HETATM 25379 O O . HOH BC 6 . ? 8.659 90.972 146.808 1.00 32.90 ? ? ? ? ? ? 1290 HOH H O 1 +HETATM 25380 O O . HOH BC 6 . ? 18.027 97.437 115.554 1.00 37.02 ? ? ? ? ? ? 1299 HOH H O 1 +HETATM 25381 O O . HOH BC 6 . ? 11.870 77.132 130.640 1.00 36.41 ? ? ? ? ? ? 1317 HOH H O 1 +HETATM 25382 O O . HOH BC 6 . ? 8.376 75.447 130.026 1.00 34.05 ? ? ? ? ? ? 1328 HOH H O 1 +HETATM 25383 O O . HOH BC 6 . ? 29.628 99.951 137.297 1.00 35.25 ? ? ? ? ? ? 1331 HOH H O 1 +HETATM 25384 O O . HOH BC 6 . ? 45.306 93.613 148.882 1.00 32.49 ? ? ? ? ? ? 1394 HOH H O 1 +HETATM 25385 O O . HOH BC 6 . ? 10.427 83.095 142.323 1.00 36.89 ? ? ? ? ? ? 1427 HOH H O 1 +HETATM 25386 O O . HOH BC 6 . ? 52.047 102.623 123.609 1.00 39.33 ? ? ? ? ? ? 1436 HOH H O 1 +HETATM 25387 O O . HOH BC 6 . ? 12.570 76.458 147.271 1.00 35.51 ? ? ? ? ? ? 1457 HOH H O 1 +HETATM 25388 O O . HOH BC 6 . ? 21.199 85.394 124.386 1.00 36.19 ? ? ? ? ? ? 1463 HOH H O 1 +HETATM 25389 O O . HOH BC 6 . ? 46.473 103.435 118.633 1.00 35.67 ? ? ? ? ? ? 1468 HOH H O 1 +HETATM 25390 O O . HOH BC 6 . ? 35.021 96.299 146.276 1.00 32.15 ? ? ? ? ? ? 1470 HOH H O 1 +HETATM 25391 O O . HOH BC 6 . ? 46.310 96.673 148.150 1.00 33.78 ? ? ? ? ? ? 1479 HOH H O 1 +HETATM 25392 O O . HOH BC 6 . ? 12.901 74.462 137.119 1.00 39.05 ? ? ? ? ? ? 1481 HOH H O 1 +HETATM 25393 O O . HOH BC 6 . ? 26.264 70.101 117.004 1.00 35.99 ? ? ? ? ? ? 1494 HOH H O 1 +HETATM 25394 O O . HOH BC 6 . ? 27.297 98.856 110.332 1.00 38.54 ? ? ? ? ? ? 1499 HOH H O 1 +HETATM 25395 O O . HOH BC 6 . ? 39.848 104.330 117.384 1.00 37.25 ? ? ? ? ? ? 1517 HOH H O 1 +HETATM 25396 O O . HOH BC 6 . ? 26.975 78.726 128.110 1.00 35.97 ? ? ? ? ? ? 1519 HOH H O 1 +HETATM 25397 O O . HOH BC 6 . ? 35.935 81.951 126.684 1.00 36.14 ? ? ? ? ? ? 1520 HOH H O 1 +HETATM 25398 O O . HOH BC 6 . ? 4.444 82.427 135.619 1.00 39.02 ? ? ? ? ? ? 1540 HOH H O 1 +HETATM 25399 O O . HOH BC 6 . ? 40.784 89.845 148.091 1.00 41.34 ? ? ? ? ? ? 1553 HOH H O 1 +HETATM 25400 O O . HOH BC 6 . ? 27.297 73.993 131.374 1.00 34.38 ? ? ? ? ? ? 1555 HOH H O 1 +HETATM 25401 O O . HOH BC 6 . ? 14.061 71.594 136.709 1.00 37.79 ? ? ? ? ? ? 1569 HOH H O 1 +HETATM 25402 O O . HOH BC 6 . ? 15.771 74.443 121.398 1.00 39.22 ? ? ? ? ? ? 1572 HOH H O 1 +HETATM 25403 O O . HOH BC 6 . ? 54.479 78.321 125.942 1.00 37.45 ? ? ? ? ? ? 1587 HOH H O 1 +HETATM 25404 O O . HOH BC 6 . ? 33.066 73.653 135.270 1.00 38.25 ? ? ? ? ? ? 1588 HOH H O 1 +HETATM 25405 O O . HOH BC 6 . ? 23.176 70.792 143.263 1.00 36.37 ? ? ? ? ? ? 1590 HOH H O 1 +HETATM 25406 O O . HOH BC 6 . ? 9.318 89.344 122.815 1.00 34.56 ? ? ? ? ? ? 1593 HOH H O 1 +HETATM 25407 O O . HOH BC 6 . ? 13.529 90.995 147.957 1.00 38.72 ? ? ? ? ? ? 1596 HOH H O 1 +HETATM 25408 O O . HOH BC 6 . ? 28.544 104.237 137.216 1.00 37.48 ? ? ? ? ? ? 1600 HOH H O 1 +HETATM 25409 O O . HOH BC 6 . ? 28.785 81.564 120.575 1.00 34.62 ? ? ? ? ? ? 1601 HOH H O 1 +HETATM 25410 O O . HOH BC 6 . ? 51.959 106.507 123.450 1.00 40.13 ? ? ? ? ? ? 1606 HOH H O 1 +HETATM 25411 O O . HOH BC 6 . ? 51.335 90.592 112.911 1.00 39.81 ? ? ? ? ? ? 1609 HOH H O 1 +HETATM 25412 O O . HOH BC 6 . ? 7.650 89.008 127.530 1.00 36.10 ? ? ? ? ? ? 1617 HOH H O 1 +HETATM 25413 O O . HOH BC 6 . ? 32.976 74.087 132.410 1.00 36.09 ? ? ? ? ? ? 1626 HOH H O 1 +HETATM 25414 O O . HOH BC 6 . ? 32.333 82.790 149.652 1.00 35.51 ? ? ? ? ? ? 1632 HOH H O 1 +HETATM 25415 O O . HOH BC 6 . ? 44.450 101.085 147.813 1.00 38.54 ? ? ? ? ? ? 1636 HOH H O 1 +HETATM 25416 O O . HOH BC 6 . ? 42.109 93.594 110.627 1.00 36.19 ? ? ? ? ? ? 1637 HOH H O 1 +HETATM 25417 O O . HOH BC 6 . ? 22.146 75.682 136.050 1.00 40.05 ? ? ? ? ? ? 1639 HOH H O 1 +HETATM 25418 O O . HOH BC 6 . ? 12.189 68.849 145.707 1.00 37.44 ? ? ? ? ? ? 1640 HOH H O 1 +HETATM 25419 O O . HOH BC 6 . ? 29.189 101.737 132.410 1.00 35.07 ? ? ? ? ? ? 1645 HOH H O 1 +HETATM 25420 O O . HOH BC 6 . ? 5.580 90.468 139.169 1.00 37.17 ? ? ? ? ? ? 1658 HOH H O 1 +HETATM 25421 O O . HOH BC 6 . ? 56.130 88.537 131.184 1.00 38.42 ? ? ? ? ? ? 1660 HOH H O 1 +HETATM 25422 O O . HOH BC 6 . ? 22.495 70.148 140.499 1.00 37.50 ? ? ? ? ? ? 1666 HOH H O 1 +HETATM 25423 O O . HOH BC 6 . ? 31.514 75.938 131.520 1.00 39.40 ? ? ? ? ? ? 1686 HOH H O 1 +HETATM 25424 O O . HOH BC 6 . ? 53.790 99.310 127.129 1.00 37.94 ? ? ? ? ? ? 1692 HOH H O 1 +HETATM 25425 O O . HOH BC 6 . ? 51.076 88.947 126.429 1.00 38.42 ? ? ? ? ? ? 1702 HOH H O 1 +HETATM 25426 O O . HOH BC 6 . ? 52.441 102.693 135.477 1.00 39.82 ? ? ? ? ? ? 1714 HOH H O 1 +HETATM 25427 O O . HOH BC 6 . ? 28.985 75.916 130.971 1.00 39.12 ? ? ? ? ? ? 1718 HOH H O 1 +HETATM 25428 O O . HOH BC 6 . ? 51.282 100.189 131.732 1.00 38.89 ? ? ? ? ? ? 1739 HOH H O 1 +HETATM 25429 O O . HOH BC 6 . ? 53.358 93.139 123.947 1.00 39.00 ? ? ? ? ? ? 1771 HOH H O 1 +HETATM 25430 O O . HOH BC 6 . ? 32.464 84.482 119.010 1.00 37.98 ? ? ? ? ? ? 1797 HOH H O 1 +HETATM 25431 O O . HOH BC 6 . ? 14.970 67.816 145.404 1.00 38.63 ? ? ? ? ? ? 1798 HOH H O 1 +HETATM 25432 O O . HOH BC 6 . ? 6.747 75.053 128.056 1.00 39.85 ? ? ? ? ? ? 1817 HOH H O 1 +HETATM 25433 O O . HOH BC 6 . ? 7.036 78.762 140.083 1.00 40.17 ? ? ? ? ? ? 1818 HOH H O 1 +HETATM 25434 O O . HOH BC 6 . ? 14.200 72.019 140.289 1.00 39.65 ? ? ? ? ? ? 1827 HOH H O 1 +HETATM 25435 O O . HOH BC 6 . ? 13.293 70.578 132.328 1.00 41.15 ? ? ? ? ? ? 1828 HOH H O 1 +HETATM 25436 O O . HOH BC 6 . ? 39.711 75.698 135.066 1.00 41.75 ? ? ? ? ? ? 1832 HOH H O 1 +HETATM 25437 O O . HOH BC 6 . ? 13.676 72.552 134.084 1.00 41.79 ? ? ? ? ? ? 1833 HOH H O 1 +HETATM 25438 O O . HOH BC 6 . ? 53.681 104.383 125.530 1.00 42.22 ? ? ? ? ? ? 1841 HOH H O 1 +HETATM 25439 O O . HOH BC 6 . ? 45.953 100.218 113.934 1.00 37.93 ? ? ? ? ? ? 1863 HOH H O 1 +HETATM 25440 O O . HOH BC 6 . ? 52.496 81.380 137.005 1.00 39.77 ? ? ? ? ? ? 1864 HOH H O 1 +HETATM 25441 O O . HOH BC 6 . ? 28.511 94.045 145.082 1.00 42.17 ? ? ? ? ? ? 1868 HOH H O 1 +HETATM 25442 O O . HOH BC 6 . ? 48.880 103.832 134.833 1.00 41.86 ? ? ? ? ? ? 1876 HOH H O 1 +HETATM 25443 O O . HOH BC 6 . ? 15.351 64.786 134.378 1.00 44.58 ? ? ? ? ? ? 1899 HOH H O 1 +HETATM 25444 O O . HOH BC 6 . ? 4.897 83.196 138.989 1.00 38.33 ? ? ? ? ? ? 1902 HOH H O 1 +HETATM 25445 O O . HOH BC 6 . ? 5.031 77.074 134.941 1.00 39.45 ? ? ? ? ? ? 1914 HOH H O 1 +HETATM 25446 O O . HOH BC 6 . ? 36.998 74.682 141.017 1.00 40.43 ? ? ? ? ? ? 1928 HOH H O 1 +HETATM 25447 O O . HOH BC 6 . ? 49.145 89.172 114.698 1.00 40.85 ? ? ? ? ? ? 1952 HOH H O 1 +HETATM 25448 O O . HOH BC 6 . ? 52.855 94.467 128.909 1.00 40.00 ? ? ? ? ? ? 1953 HOH H O 1 +HETATM 25449 O O . HOH BC 6 . ? 4.869 83.683 124.030 1.00 42.06 ? ? ? ? ? ? 1975 HOH H O 1 +HETATM 25450 O O . HOH BC 6 . ? 21.745 99.833 144.027 1.00 43.35 ? ? ? ? ? ? 1985 HOH H O 1 +HETATM 25451 O O . HOH BC 6 . ? 6.024 86.281 124.461 1.00 37.94 ? ? ? ? ? ? 1987 HOH H O 1 +HETATM 25452 O O . HOH BC 6 . ? 48.720 103.009 119.665 1.00 42.22 ? ? ? ? ? ? 2007 HOH H O 1 +HETATM 25453 O O . HOH BC 6 . ? 29.719 99.885 109.924 1.00 37.66 ? ? ? ? ? ? 2011 HOH H O 1 +HETATM 25454 O O . HOH BC 6 . ? 4.444 91.900 136.767 1.00 40.54 ? ? ? ? ? ? 2014 HOH H O 1 +HETATM 25455 O O . HOH BC 6 . ? 12.406 90.580 115.885 1.00 40.75 ? ? ? ? ? ? 2026 HOH H O 1 +HETATM 25456 O O . HOH BC 6 . ? 50.824 97.670 131.896 1.00 41.68 ? ? ? ? ? ? 2028 HOH H O 1 +HETATM 25457 O O . HOH BC 6 . ? 28.081 80.831 124.603 1.00 42.93 ? ? ? ? ? ? 2038 HOH H O 1 +HETATM 25458 O O . HOH BC 6 . ? 26.449 99.939 132.558 1.00 40.84 ? ? ? ? ? ? 2042 HOH H O 1 +HETATM 25459 O O . HOH BC 6 . ? 29.485 102.190 135.390 1.00 46.42 ? ? ? ? ? ? 2059 HOH H O 1 +HETATM 25460 O O . HOH BC 6 . ? 15.131 96.896 110.994 1.00 40.85 ? ? ? ? ? ? 2081 HOH H O 1 +HETATM 25461 O O . HOH BC 6 . ? 20.107 75.572 131.130 1.00 42.31 ? ? ? ? ? ? 2084 HOH H O 1 +HETATM 25462 O O . HOH BC 6 . ? 55.779 77.485 128.174 1.00 41.97 ? ? ? ? ? ? 2086 HOH H O 1 +HETATM 25463 O O . HOH BC 6 . ? 21.630 73.263 137.278 1.00 47.54 ? ? ? ? ? ? 2092 HOH H O 1 +HETATM 25464 O O . HOH BC 6 . ? 38.958 103.067 147.490 1.00 44.18 ? ? ? ? ? ? 2108 HOH H O 1 +HETATM 25465 O O . HOH BC 6 . ? 9.174 81.817 139.945 1.00 43.00 ? ? ? ? ? ? 2109 HOH H O 1 +HETATM 25466 O O . HOH BC 6 . ? 20.550 83.810 127.421 1.00 42.55 ? ? ? ? ? ? 2114 HOH H O 1 +HETATM 25467 O O . HOH BC 6 . ? 53.358 92.756 126.603 1.00 45.06 ? ? ? ? ? ? 2119 HOH H O 1 +HETATM 25468 O O . HOH BC 6 . ? 13.176 75.385 125.833 1.00 43.90 ? ? ? ? ? ? 2124 HOH H O 1 +HETATM 25469 O O . HOH BC 6 . ? 50.457 97.516 117.567 1.00 44.74 ? ? ? ? ? ? 2130 HOH H O 1 +HETATM 25470 O O . HOH BC 6 . ? 25.625 100.384 107.939 1.00 41.89 ? ? ? ? ? ? 2186 HOH H O 1 +HETATM 25471 O O . HOH BC 6 . ? 54.440 89.588 129.626 1.00 45.35 ? ? ? ? ? ? 2187 HOH H O 1 +HETATM 25472 O O . HOH BC 6 . ? 50.124 92.536 111.883 1.00 44.97 ? ? ? ? ? ? 2188 HOH H O 1 +HETATM 25473 O O . HOH BC 6 . ? 47.422 103.762 146.762 1.00 47.98 ? ? ? ? ? ? 2203 HOH H O 1 +HETATM 25474 O O . HOH BC 6 . ? 41.214 101.168 147.375 1.00 48.71 ? ? ? ? ? ? 2207 HOH H O 1 +HETATM 25475 O O . HOH BC 6 . ? 9.686 86.102 115.941 1.00 47.73 ? ? ? ? ? ? 2218 HOH H O 1 +HETATM 25476 O O . HOH BC 6 . ? 14.707 69.975 141.914 1.00 48.60 ? ? ? ? ? ? 2224 HOH H O 1 +HETATM 25477 O O . HOH BC 6 . ? 12.431 92.491 112.661 1.00 53.41 ? ? ? ? ? ? 2229 HOH H O 1 +HETATM 25478 O O . HOH BC 6 . ? 21.985 74.985 133.366 1.00 48.03 ? ? ? ? ? ? 2240 HOH H O 1 +HETATM 25479 O O . HOH CC 6 . ? 40.480 81.811 104.061 1.00 11.78 ? ? ? ? ? ? 257 HOH I O 1 +HETATM 25480 O O . HOH CC 6 . ? 29.570 85.761 115.737 1.00 12.65 ? ? ? ? ? ? 258 HOH I O 1 +HETATM 25481 O O . HOH CC 6 . ? 40.567 75.356 103.469 1.00 14.89 ? ? ? ? ? ? 259 HOH I O 1 +HETATM 25482 O O . HOH CC 6 . ? 18.722 65.480 111.709 1.00 15.55 ? ? ? ? ? ? 260 HOH I O 1 +HETATM 25483 O O . HOH CC 6 . ? 11.409 76.301 108.087 1.00 21.47 ? ? ? ? ? ? 261 HOH I O 1 +HETATM 25484 O O . HOH CC 6 . ? 38.192 56.916 98.616 1.00 20.51 ? ? ? ? ? ? 262 HOH I O 1 +HETATM 25485 O O . HOH CC 6 . ? 36.678 71.118 106.736 1.00 16.57 ? ? ? ? ? ? 263 HOH I O 1 +HETATM 25486 O O . HOH CC 6 . ? 19.076 85.580 110.339 1.00 17.25 ? ? ? ? ? ? 264 HOH I O 1 +HETATM 25487 O O . HOH CC 6 . ? 48.156 72.064 102.916 1.00 18.37 ? ? ? ? ? ? 265 HOH I O 1 +HETATM 25488 O O . HOH CC 6 . ? 17.845 83.001 111.328 1.00 17.45 ? ? ? ? ? ? 266 HOH I O 1 +HETATM 25489 O O . HOH CC 6 . ? 42.081 79.704 125.355 1.00 22.54 ? ? ? ? ? ? 267 HOH I O 1 +HETATM 25490 O O . HOH CC 6 . ? 46.261 59.548 113.319 1.00 18.95 ? ? ? ? ? ? 268 HOH I O 1 +HETATM 25491 O O . HOH CC 6 . ? 29.040 64.883 97.086 1.00 19.65 ? ? ? ? ? ? 269 HOH I O 1 +HETATM 25492 O O . HOH CC 6 . ? 24.663 91.733 116.814 1.00 19.94 ? ? ? ? ? ? 270 HOH I O 1 +HETATM 25493 O O . HOH CC 6 . ? 47.870 67.888 111.014 1.00 19.40 ? ? ? ? ? ? 271 HOH I O 1 +HETATM 25494 O O . HOH CC 6 . ? 28.205 74.075 94.674 1.00 20.20 ? ? ? ? ? ? 272 HOH I O 1 +HETATM 25495 O O . HOH CC 6 . ? 50.758 85.934 110.325 1.00 17.59 ? ? ? ? ? ? 273 HOH I O 1 +HETATM 25496 O O . HOH CC 6 . ? 17.509 86.612 108.239 1.00 19.71 ? ? ? ? ? ? 274 HOH I O 1 +HETATM 25497 O O . HOH CC 6 . ? 22.951 91.017 96.413 1.00 19.49 ? ? ? ? ? ? 275 HOH I O 1 +HETATM 25498 O O . HOH CC 6 . ? 44.617 64.009 114.504 1.00 21.07 ? ? ? ? ? ? 276 HOH I O 1 +HETATM 25499 O O . HOH CC 6 . ? 26.756 94.501 112.046 1.00 21.25 ? ? ? ? ? ? 277 HOH I O 1 +HETATM 25500 O O . HOH CC 6 . ? 33.227 84.790 111.129 1.00 21.92 ? ? ? ? ? ? 278 HOH I O 1 +HETATM 25501 O O . HOH CC 6 . ? 27.831 73.249 114.431 1.00 21.88 ? ? ? ? ? ? 289 HOH I O 1 +HETATM 25502 O O . HOH CC 6 . ? 13.375 78.230 121.352 1.00 21.28 ? ? ? ? ? ? 299 HOH I O 1 +HETATM 25503 O O . HOH CC 6 . ? 36.174 84.491 113.777 1.00 20.69 ? ? ? ? ? ? 303 HOH I O 1 +HETATM 25504 O O . HOH CC 6 . ? 41.999 79.718 111.980 1.00 22.43 ? ? ? ? ? ? 305 HOH I O 1 +HETATM 25505 O O . HOH CC 6 . ? 29.032 80.260 113.732 1.00 23.51 ? ? ? ? ? ? 310 HOH I O 1 +HETATM 25506 O O . HOH CC 6 . ? 49.025 65.513 99.324 1.00 23.02 ? ? ? ? ? ? 319 HOH I O 1 +HETATM 25507 O O . HOH CC 6 . ? 27.829 81.021 96.955 1.00 20.93 ? ? ? ? ? ? 324 HOH I O 1 +HETATM 25508 O O . HOH CC 6 . ? 9.532 80.088 110.393 1.00 22.70 ? ? ? ? ? ? 325 HOH I O 1 +HETATM 25509 O O . HOH CC 6 . ? 6.407 77.795 93.471 1.00 23.98 ? ? ? ? ? ? 339 HOH I O 1 +HETATM 25510 O O . HOH CC 6 . ? 17.503 68.140 98.458 1.00 22.72 ? ? ? ? ? ? 347 HOH I O 1 +HETATM 25511 O O . HOH CC 6 . ? 28.253 76.291 87.536 1.00 23.94 ? ? ? ? ? ? 348 HOH I O 1 +HETATM 25512 O O . HOH CC 6 . ? 37.249 79.635 126.783 1.00 25.26 ? ? ? ? ? ? 366 HOH I O 1 +HETATM 25513 O O . HOH CC 6 . ? 34.981 80.532 130.327 1.00 21.87 ? ? ? ? ? ? 371 HOH I O 1 +HETATM 25514 O O . HOH CC 6 . ? 30.447 94.783 106.259 1.00 23.33 ? ? ? ? ? ? 378 HOH I O 1 +HETATM 25515 O O . HOH CC 6 . ? 31.857 77.954 111.473 1.00 25.33 ? ? ? ? ? ? 379 HOH I O 1 +HETATM 25516 O O . HOH CC 6 . ? 14.325 91.553 98.916 1.00 23.67 ? ? ? ? ? ? 397 HOH I O 1 +HETATM 25517 O O . HOH CC 6 . ? 40.432 52.699 103.748 1.00 23.92 ? ? ? ? ? ? 405 HOH I O 1 +HETATM 25518 O O . HOH CC 6 . ? 30.536 93.766 110.442 1.00 26.78 ? ? ? ? ? ? 406 HOH I O 1 +HETATM 25519 O O . HOH CC 6 . ? 39.085 69.431 111.953 1.00 24.02 ? ? ? ? ? ? 412 HOH I O 1 +HETATM 25520 O O . HOH CC 6 . ? 33.999 53.650 112.860 1.00 26.52 ? ? ? ? ? ? 413 HOH I O 1 +HETATM 25521 O O . HOH CC 6 . ? 12.024 80.988 106.604 1.00 24.26 ? ? ? ? ? ? 456 HOH I O 1 +HETATM 25522 O O . HOH CC 6 . ? 40.465 73.248 109.226 1.00 26.93 ? ? ? ? ? ? 462 HOH I O 1 +HETATM 25523 O O . HOH CC 6 . ? 50.528 79.937 133.396 1.00 24.65 ? ? ? ? ? ? 465 HOH I O 1 +HETATM 25524 O O . HOH CC 6 . ? 51.393 65.037 116.626 1.00 23.44 ? ? ? ? ? ? 475 HOH I O 1 +HETATM 25525 O O . HOH CC 6 . ? 59.203 78.892 116.488 1.00 22.41 ? ? ? ? ? ? 477 HOH I O 1 +HETATM 25526 O O . HOH CC 6 . ? 52.559 77.236 110.888 1.00 24.74 ? ? ? ? ? ? 479 HOH I O 1 +HETATM 25527 O O . HOH CC 6 . ? 40.275 51.816 108.138 1.00 21.47 ? ? ? ? ? ? 494 HOH I O 1 +HETATM 25528 O O . HOH CC 6 . ? 58.710 80.834 115.280 1.00 25.16 ? ? ? ? ? ? 506 HOH I O 1 +HETATM 25529 O O . HOH CC 6 . ? 41.665 75.902 110.834 1.00 26.20 ? ? ? ? ? ? 508 HOH I O 1 +HETATM 25530 O O . HOH CC 6 . ? 23.128 60.660 99.148 1.00 25.55 ? ? ? ? ? ? 516 HOH I O 1 +HETATM 25531 O O . HOH CC 6 . ? 35.471 56.402 111.284 1.00 23.75 ? ? ? ? ? ? 518 HOH I O 1 +HETATM 25532 O O . HOH CC 6 . ? 7.755 80.339 113.313 1.00 26.53 ? ? ? ? ? ? 519 HOH I O 1 +HETATM 25533 O O . HOH CC 6 . ? 21.477 92.978 96.329 1.00 26.69 ? ? ? ? ? ? 531 HOH I O 1 +HETATM 25534 O O . HOH CC 6 . ? 28.094 67.492 91.572 1.00 27.37 ? ? ? ? ? ? 542 HOH I O 1 +HETATM 25535 O O . HOH CC 6 . ? 10.810 88.166 97.201 1.00 26.27 ? ? ? ? ? ? 553 HOH I O 1 +HETATM 25536 O O . HOH CC 6 . ? 23.501 92.997 108.436 1.00 26.27 ? ? ? ? ? ? 557 HOH I O 1 +HETATM 25537 O O . HOH CC 6 . ? 38.646 73.871 110.960 1.00 27.62 ? ? ? ? ? ? 564 HOH I O 1 +HETATM 25538 O O . HOH CC 6 . ? 35.732 95.048 105.279 1.00 26.48 ? ? ? ? ? ? 570 HOH I O 1 +HETATM 25539 O O . HOH CC 6 . ? 42.469 54.565 102.922 1.00 27.58 ? ? ? ? ? ? 580 HOH I O 1 +HETATM 25540 O O . HOH CC 6 . ? 46.612 55.611 107.975 1.00 25.01 ? ? ? ? ? ? 583 HOH I O 1 +HETATM 25541 O O . HOH CC 6 . ? 52.871 79.943 110.908 1.00 28.00 ? ? ? ? ? ? 601 HOH I O 1 +HETATM 25542 O O . HOH CC 6 . ? 25.760 95.843 110.504 1.00 26.94 ? ? ? ? ? ? 610 HOH I O 1 +HETATM 25543 O O . HOH CC 6 . ? 41.122 67.141 111.365 1.00 27.26 ? ? ? ? ? ? 625 HOH I O 1 +HETATM 25544 O O . HOH CC 6 . ? 46.511 68.668 97.741 1.00 24.10 ? ? ? ? ? ? 638 HOH I O 1 +HETATM 25545 O O . HOH CC 6 . ? 34.109 72.394 96.191 1.00 24.79 ? ? ? ? ? ? 665 HOH I O 1 +HETATM 25546 O O . HOH CC 6 . ? 48.891 74.501 131.054 1.00 26.88 ? ? ? ? ? ? 692 HOH I O 1 +HETATM 25547 O O . HOH CC 6 . ? 36.195 55.667 100.196 1.00 29.44 ? ? ? ? ? ? 693 HOH I O 1 +HETATM 25548 O O . HOH CC 6 . ? 30.779 69.950 91.825 1.00 28.15 ? ? ? ? ? ? 694 HOH I O 1 +HETATM 25549 O O . HOH CC 6 . ? 59.807 78.212 112.918 1.00 25.14 ? ? ? ? ? ? 698 HOH I O 1 +HETATM 25550 O O . HOH CC 6 . ? 26.808 90.196 117.407 1.00 29.46 ? ? ? ? ? ? 701 HOH I O 1 +HETATM 25551 O O . HOH CC 6 . ? 44.630 59.383 99.278 1.00 28.16 ? ? ? ? ? ? 716 HOH I O 1 +HETATM 25552 O O . HOH CC 6 . ? 29.100 77.964 112.303 1.00 27.51 ? ? ? ? ? ? 725 HOH I O 1 +HETATM 25553 O O . HOH CC 6 . ? 47.284 63.912 117.470 1.00 27.90 ? ? ? ? ? ? 730 HOH I O 1 +HETATM 25554 O O . HOH CC 6 . ? 29.702 82.960 116.324 1.00 26.42 ? ? ? ? ? ? 732 HOH I O 1 +HETATM 25555 O O . HOH CC 6 . ? 36.477 53.667 112.988 1.00 31.62 ? ? ? ? ? ? 742 HOH I O 1 +HETATM 25556 O O . HOH CC 6 . ? 46.561 87.218 120.305 1.00 28.24 ? ? ? ? ? ? 781 HOH I O 1 +HETATM 25557 O O . HOH CC 6 . ? 53.934 75.964 109.134 1.00 29.52 ? ? ? ? ? ? 822 HOH I O 1 +HETATM 25558 O O . HOH CC 6 . ? 29.859 95.739 108.597 1.00 26.68 ? ? ? ? ? ? 846 HOH I O 1 +HETATM 25559 O O . HOH CC 6 . ? 23.898 59.110 104.926 1.00 27.67 ? ? ? ? ? ? 871 HOH I O 1 +HETATM 25560 O O . HOH CC 6 . ? 23.078 95.104 110.215 1.00 29.51 ? ? ? ? ? ? 920 HOH I O 1 +HETATM 25561 O O . HOH CC 6 . ? 11.587 78.404 98.089 1.00 28.31 ? ? ? ? ? ? 922 HOH I O 1 +HETATM 25562 O O . HOH CC 6 . ? 14.569 85.396 110.819 1.00 27.89 ? ? ? ? ? ? 927 HOH I O 1 +HETATM 25563 O O . HOH CC 6 . ? 18.832 62.267 94.848 1.00 30.06 ? ? ? ? ? ? 937 HOH I O 1 +HETATM 25564 O O . HOH CC 6 . ? 26.590 68.975 80.869 1.00 31.59 ? ? ? ? ? ? 939 HOH I O 1 +HETATM 25565 O O . HOH CC 6 . ? 35.852 86.626 112.083 1.00 29.35 ? ? ? ? ? ? 940 HOH I O 1 +HETATM 25566 O O . HOH CC 6 . ? 50.418 88.216 110.144 1.00 29.62 ? ? ? ? ? ? 953 HOH I O 1 +HETATM 25567 O O . HOH CC 6 . ? 46.459 76.342 122.385 1.00 32.11 ? ? ? ? ? ? 993 HOH I O 1 +HETATM 25568 O O . HOH CC 6 . ? 21.446 92.421 102.662 1.00 31.41 ? ? ? ? ? ? 1017 HOH I O 1 +HETATM 25569 O O . HOH CC 6 . ? 49.182 65.597 118.277 1.00 30.91 ? ? ? ? ? ? 1024 HOH I O 1 +HETATM 25570 O O . HOH CC 6 . ? 19.686 96.303 113.604 1.00 31.78 ? ? ? ? ? ? 1033 HOH I O 1 +HETATM 25571 O O . HOH CC 6 . ? 57.104 76.461 115.254 1.00 30.16 ? ? ? ? ? ? 1055 HOH I O 1 +HETATM 25572 O O . HOH CC 6 . ? 42.583 78.934 121.216 1.00 30.16 ? ? ? ? ? ? 1058 HOH I O 1 +HETATM 25573 O O . HOH CC 6 . ? 36.119 80.505 115.968 1.00 32.29 ? ? ? ? ? ? 1075 HOH I O 1 +HETATM 25574 O O . HOH CC 6 . ? 47.007 58.907 100.677 1.00 31.31 ? ? ? ? ? ? 1079 HOH I O 1 +HETATM 25575 O O . HOH CC 6 . ? 9.449 71.320 90.951 1.00 31.96 ? ? ? ? ? ? 1087 HOH I O 1 +HETATM 25576 O O . HOH CC 6 . ? 32.852 77.810 114.659 1.00 29.93 ? ? ? ? ? ? 1089 HOH I O 1 +HETATM 25577 O O . HOH CC 6 . ? 52.866 75.388 128.880 1.00 34.43 ? ? ? ? ? ? 1100 HOH I O 1 +HETATM 25578 O O . HOH CC 6 . ? 12.639 78.807 100.590 1.00 32.60 ? ? ? ? ? ? 1110 HOH I O 1 +HETATM 25579 O O . HOH CC 6 . ? 56.827 65.747 111.431 1.00 29.87 ? ? ? ? ? ? 1115 HOH I O 1 +HETATM 25580 O O . HOH CC 6 . ? 12.094 77.471 93.945 1.00 31.28 ? ? ? ? ? ? 1121 HOH I O 1 +HETATM 25581 O O . HOH CC 6 . ? 55.357 66.804 102.141 1.00 34.18 ? ? ? ? ? ? 1182 HOH I O 1 +HETATM 25582 O O . HOH CC 6 . ? 17.579 62.191 109.947 1.00 35.27 ? ? ? ? ? ? 1208 HOH I O 1 +HETATM 25583 O O . HOH CC 6 . ? 47.806 61.109 117.808 1.00 32.66 ? ? ? ? ? ? 1213 HOH I O 1 +HETATM 25584 O O . HOH CC 6 . ? 27.977 63.497 118.418 1.00 31.33 ? ? ? ? ? ? 1228 HOH I O 1 +HETATM 25585 O O . HOH CC 6 . ? 24.847 91.026 109.267 1.00 33.42 ? ? ? ? ? ? 1239 HOH I O 1 +HETATM 25586 O O . HOH CC 6 . ? 24.800 60.327 97.029 1.00 32.28 ? ? ? ? ? ? 1241 HOH I O 1 +HETATM 25587 O O . HOH CC 6 . ? 49.354 68.149 118.026 1.00 33.99 ? ? ? ? ? ? 1267 HOH I O 1 +HETATM 25588 O O . HOH CC 6 . ? 32.939 95.320 104.838 1.00 36.93 ? ? ? ? ? ? 1275 HOH I O 1 +HETATM 25589 O O . HOH CC 6 . ? 41.812 77.438 136.181 1.00 33.14 ? ? ? ? ? ? 1283 HOH I O 1 +HETATM 25590 O O . HOH CC 6 . ? 57.660 77.932 118.701 1.00 34.19 ? ? ? ? ? ? 1284 HOH I O 1 +HETATM 25591 O O . HOH CC 6 . ? 15.042 78.515 100.648 1.00 36.10 ? ? ? ? ? ? 1285 HOH I O 1 +HETATM 25592 O O . HOH CC 6 . ? 28.686 95.734 104.350 1.00 31.76 ? ? ? ? ? ? 1309 HOH I O 1 +HETATM 25593 O O . HOH CC 6 . ? 16.312 61.573 93.739 1.00 35.24 ? ? ? ? ? ? 1321 HOH I O 1 +HETATM 25594 O O . HOH CC 6 . ? 11.393 82.466 110.645 1.00 34.42 ? ? ? ? ? ? 1332 HOH I O 1 +HETATM 25595 O O . HOH CC 6 . ? 34.739 70.940 117.174 1.00 33.15 ? ? ? ? ? ? 1334 HOH I O 1 +HETATM 25596 O O . HOH CC 6 . ? 54.967 68.669 113.322 1.00 34.35 ? ? ? ? ? ? 1360 HOH I O 1 +HETATM 25597 O O . HOH CC 6 . ? 26.920 64.347 93.171 1.00 33.93 ? ? ? ? ? ? 1369 HOH I O 1 +HETATM 25598 O O . HOH CC 6 . ? 52.339 85.385 116.496 1.00 35.46 ? ? ? ? ? ? 1385 HOH I O 1 +HETATM 25599 O O . HOH CC 6 . ? 34.079 68.214 116.613 1.00 39.14 ? ? ? ? ? ? 1396 HOH I O 1 +HETATM 25600 O O . HOH CC 6 . ? 35.918 74.264 96.473 1.00 33.46 ? ? ? ? ? ? 1401 HOH I O 1 +HETATM 25601 O O . HOH CC 6 . ? 29.171 55.036 103.550 1.00 34.49 ? ? ? ? ? ? 1407 HOH I O 1 +HETATM 25602 O O . HOH CC 6 . ? 13.246 89.611 113.271 1.00 35.64 ? ? ? ? ? ? 1409 HOH I O 1 +HETATM 25603 O O . HOH CC 6 . ? 51.554 67.896 120.215 1.00 34.56 ? ? ? ? ? ? 1410 HOH I O 1 +HETATM 25604 O O . HOH CC 6 . ? 54.288 78.527 131.948 1.00 34.85 ? ? ? ? ? ? 1412 HOH I O 1 +HETATM 25605 O O . HOH CC 6 . ? 57.198 80.302 112.267 1.00 34.98 ? ? ? ? ? ? 1420 HOH I O 1 +HETATM 25606 O O . HOH CC 6 . ? 52.837 71.068 113.591 1.00 37.62 ? ? ? ? ? ? 1433 HOH I O 1 +HETATM 25607 O O . HOH CC 6 . ? 16.756 91.956 98.910 1.00 36.66 ? ? ? ? ? ? 1434 HOH I O 1 +HETATM 25608 O O . HOH CC 6 . ? 31.975 68.062 118.255 1.00 34.31 ? ? ? ? ? ? 1442 HOH I O 1 +HETATM 25609 O O . HOH CC 6 . ? 29.558 67.746 118.265 1.00 36.40 ? ? ? ? ? ? 1443 HOH I O 1 +HETATM 25610 O O . HOH CC 6 . ? 14.210 73.347 84.847 1.00 36.59 ? ? ? ? ? ? 1450 HOH I O 1 +HETATM 25611 O O . HOH CC 6 . ? 33.667 58.766 97.192 1.00 35.50 ? ? ? ? ? ? 1461 HOH I O 1 +HETATM 25612 O O . HOH CC 6 . ? 14.411 74.080 81.151 1.00 31.86 ? ? ? ? ? ? 1475 HOH I O 1 +HETATM 25613 O O . HOH CC 6 . ? 15.691 65.047 113.913 1.00 36.49 ? ? ? ? ? ? 1476 HOH I O 1 +HETATM 25614 O O . HOH CC 6 . ? 53.460 67.643 100.012 1.00 34.44 ? ? ? ? ? ? 1501 HOH I O 1 +HETATM 25615 O O . HOH CC 6 . ? 41.034 78.249 113.497 1.00 36.82 ? ? ? ? ? ? 1502 HOH I O 1 +HETATM 25616 O O . HOH CC 6 . ? 31.114 60.298 118.263 1.00 34.44 ? ? ? ? ? ? 1528 HOH I O 1 +HETATM 25617 O O . HOH CC 6 . ? 29.777 66.583 95.181 1.00 33.97 ? ? ? ? ? ? 1538 HOH I O 1 +HETATM 25618 O O . HOH CC 6 . ? 9.238 83.129 105.612 1.00 38.73 ? ? ? ? ? ? 1544 HOH I O 1 +HETATM 25619 O O . HOH CC 6 . ? 20.418 94.742 111.576 1.00 34.18 ? ? ? ? ? ? 1550 HOH I O 1 +HETATM 25620 O O . HOH CC 6 . ? 55.755 77.838 112.686 1.00 36.70 ? ? ? ? ? ? 1560 HOH I O 1 +HETATM 25621 O O . HOH CC 6 . ? 45.940 77.639 136.150 1.00 36.81 ? ? ? ? ? ? 1565 HOH I O 1 +HETATM 25622 O O . HOH CC 6 . ? 41.874 50.963 105.753 1.00 38.45 ? ? ? ? ? ? 1570 HOH I O 1 +HETATM 25623 O O . HOH CC 6 . ? 22.302 94.062 104.399 1.00 38.53 ? ? ? ? ? ? 1577 HOH I O 1 +HETATM 25624 O O . HOH CC 6 . ? 25.485 96.319 106.931 1.00 41.85 ? ? ? ? ? ? 1591 HOH I O 1 +HETATM 25625 O O . HOH CC 6 . ? 39.242 97.361 109.164 1.00 38.27 ? ? ? ? ? ? 1597 HOH I O 1 +HETATM 25626 O O . HOH CC 6 . ? 35.394 77.452 130.448 1.00 38.99 ? ? ? ? ? ? 1602 HOH I O 1 +HETATM 25627 O O . HOH CC 6 . ? 42.407 98.091 103.710 1.00 38.86 ? ? ? ? ? ? 1608 HOH I O 1 +HETATM 25628 O O . HOH CC 6 . ? 55.233 80.357 110.472 1.00 39.26 ? ? ? ? ? ? 1621 HOH I O 1 +HETATM 25629 O O . HOH CC 6 . ? 12.309 87.314 112.738 1.00 37.42 ? ? ? ? ? ? 1631 HOH I O 1 +HETATM 25630 O O . HOH CC 6 . ? 42.584 55.836 100.432 1.00 40.63 ? ? ? ? ? ? 1675 HOH I O 1 +HETATM 25631 O O . HOH CC 6 . ? 28.644 54.841 109.628 1.00 36.12 ? ? ? ? ? ? 1700 HOH I O 1 +HETATM 25632 O O . HOH CC 6 . ? 33.651 78.989 94.212 1.00 38.74 ? ? ? ? ? ? 1708 HOH I O 1 +HETATM 25633 O O . HOH CC 6 . ? 23.109 93.928 99.765 1.00 39.91 ? ? ? ? ? ? 1721 HOH I O 1 +HETATM 25634 O O . HOH CC 6 . ? 36.145 53.585 101.697 1.00 39.20 ? ? ? ? ? ? 1733 HOH I O 1 +HETATM 25635 O O . HOH CC 6 . ? 41.681 55.131 96.208 1.00 39.23 ? ? ? ? ? ? 1737 HOH I O 1 +HETATM 25636 O O . HOH CC 6 . ? 38.187 76.116 132.838 1.00 40.47 ? ? ? ? ? ? 1761 HOH I O 1 +HETATM 25637 O O . HOH CC 6 . ? 40.330 55.408 98.811 1.00 39.27 ? ? ? ? ? ? 1763 HOH I O 1 +HETATM 25638 O O . HOH CC 6 . ? 50.314 87.477 112.608 1.00 38.85 ? ? ? ? ? ? 1766 HOH I O 1 +HETATM 25639 O O . HOH CC 6 . ? 20.406 59.801 95.250 1.00 38.07 ? ? ? ? ? ? 1779 HOH I O 1 +HETATM 25640 O O . HOH CC 6 . ? 41.327 67.793 119.165 1.00 38.41 ? ? ? ? ? ? 1789 HOH I O 1 +HETATM 25641 O O . HOH CC 6 . ? 13.914 65.255 91.110 1.00 39.08 ? ? ? ? ? ? 1802 HOH I O 1 +HETATM 25642 O O . HOH CC 6 . ? 33.497 63.210 95.876 1.00 39.75 ? ? ? ? ? ? 1803 HOH I O 1 +HETATM 25643 O O . HOH CC 6 . ? 27.433 59.331 102.509 1.00 38.62 ? ? ? ? ? ? 1829 HOH I O 1 +HETATM 25644 O O . HOH CC 6 . ? 11.330 79.485 95.745 1.00 38.45 ? ? ? ? ? ? 1837 HOH I O 1 +HETATM 25645 O O . HOH CC 6 . ? 9.431 66.407 109.746 1.00 42.72 ? ? ? ? ? ? 1839 HOH I O 1 +HETATM 25646 O O . HOH CC 6 . ? 41.947 51.427 110.194 1.00 37.62 ? ? ? ? ? ? 1853 HOH I O 1 +HETATM 25647 O O . HOH CC 6 . ? 29.276 57.528 103.676 1.00 41.11 ? ? ? ? ? ? 1866 HOH I O 1 +HETATM 25648 O O . HOH CC 6 . ? 8.307 84.821 103.497 1.00 41.65 ? ? ? ? ? ? 1921 HOH I O 1 +HETATM 25649 O O . HOH CC 6 . ? 10.166 77.916 91.728 1.00 43.19 ? ? ? ? ? ? 1934 HOH I O 1 +HETATM 25650 O O . HOH CC 6 . ? 53.013 87.595 119.701 1.00 38.98 ? ? ? ? ? ? 1944 HOH I O 1 +HETATM 25651 O O . HOH CC 6 . ? 57.128 63.510 109.072 1.00 40.19 ? ? ? ? ? ? 1947 HOH I O 1 +HETATM 25652 O O . HOH CC 6 . ? 39.451 98.836 104.762 1.00 38.57 ? ? ? ? ? ? 1959 HOH I O 1 +HETATM 25653 O O . HOH CC 6 . ? 17.960 93.647 100.186 1.00 43.54 ? ? ? ? ? ? 1972 HOH I O 1 +HETATM 25654 O O . HOH CC 6 . ? 32.818 75.958 93.096 1.00 42.48 ? ? ? ? ? ? 1974 HOH I O 1 +HETATM 25655 O O . HOH CC 6 . ? 14.723 64.402 110.577 1.00 40.15 ? ? ? ? ? ? 1981 HOH I O 1 +HETATM 25656 O O . HOH CC 6 . ? 3.355 79.093 107.343 1.00 39.12 ? ? ? ? ? ? 1992 HOH I O 1 +HETATM 25657 O O . HOH CC 6 . ? 43.056 76.207 116.502 1.00 45.80 ? ? ? ? ? ? 1994 HOH I O 1 +HETATM 25658 O O . HOH CC 6 . ? 32.464 73.571 94.088 1.00 39.21 ? ? ? ? ? ? 1996 HOH I O 1 +HETATM 25659 O O . HOH CC 6 . ? 29.848 58.905 101.336 1.00 43.62 ? ? ? ? ? ? 2006 HOH I O 1 +HETATM 25660 O O . HOH CC 6 . ? 7.615 72.772 97.745 1.00 45.89 ? ? ? ? ? ? 2030 HOH I O 1 +HETATM 25661 O O . HOH CC 6 . ? 11.631 86.485 92.310 1.00 41.13 ? ? ? ? ? ? 2031 HOH I O 1 +HETATM 25662 O O . HOH CC 6 . ? 13.763 78.777 91.705 1.00 42.35 ? ? ? ? ? ? 2033 HOH I O 1 +HETATM 25663 O O . HOH CC 6 . ? 57.191 68.486 115.331 1.00 45.43 ? ? ? ? ? ? 2062 HOH I O 1 +HETATM 25664 O O . HOH CC 6 . ? 13.818 95.678 107.601 1.00 42.02 ? ? ? ? ? ? 2090 HOH I O 1 +HETATM 25665 O O . HOH CC 6 . ? 15.593 62.055 113.689 1.00 45.03 ? ? ? ? ? ? 2104 HOH I O 1 +HETATM 25666 O O . HOH CC 6 . ? 37.753 68.032 113.583 1.00 42.94 ? ? ? ? ? ? 2112 HOH I O 1 +HETATM 25667 O O . HOH CC 6 . ? 48.331 71.763 122.180 1.00 46.74 ? ? ? ? ? ? 2113 HOH I O 1 +HETATM 25668 O O . HOH CC 6 . ? 35.276 70.114 94.933 1.00 42.02 ? ? ? ? ? ? 2126 HOH I O 1 +HETATM 25669 O O . HOH CC 6 . ? 10.802 60.769 104.309 1.00 47.56 ? ? ? ? ? ? 2133 HOH I O 1 +HETATM 25670 O O . HOH CC 6 . ? 36.617 61.903 93.703 1.00 46.65 ? ? ? ? ? ? 2148 HOH I O 1 +HETATM 25671 O O . HOH CC 6 . ? 19.575 60.971 112.739 1.00 44.16 ? ? ? ? ? ? 2154 HOH I O 1 +HETATM 25672 O O . HOH CC 6 . ? 38.695 56.645 119.499 1.00 47.34 ? ? ? ? ? ? 2160 HOH I O 1 +HETATM 25673 O O . HOH CC 6 . ? 10.701 65.838 112.278 1.00 44.70 ? ? ? ? ? ? 2204 HOH I O 1 +HETATM 25674 O O . HOH CC 6 . ? 46.409 62.636 120.509 1.00 51.62 ? ? ? ? ? ? 2205 HOH I O 1 +HETATM 25675 O O . HOH CC 6 . ? 10.576 75.461 102.204 1.00 48.95 ? ? ? ? ? ? 2212 HOH I O 1 +HETATM 25676 O O . HOH CC 6 . ? 50.772 59.288 100.232 1.00 46.80 ? ? ? ? ? ? 2214 HOH I O 1 +HETATM 25677 O O . HOH CC 6 . ? 12.720 94.378 111.203 1.00 52.74 ? ? ? ? ? ? 2219 HOH I O 1 +HETATM 25678 O O . HOH CC 6 . ? 52.178 75.804 132.555 1.00 47.00 ? ? ? ? ? ? 2221 HOH I O 1 +HETATM 25679 O O . HOH CC 6 . ? 24.425 67.501 116.149 1.00 51.92 ? ? ? ? ? ? 2225 HOH I O 1 +HETATM 25680 O O . HOH CC 6 . ? 56.727 64.061 105.953 1.00 52.67 ? ? ? ? ? ? 2230 HOH I O 1 +HETATM 25681 O O . HOH CC 6 . ? 18.238 95.909 110.686 1.00 50.87 ? ? ? ? ? ? 2237 HOH I O 1 +HETATM 25682 O O . HOH CC 6 . ? 39.118 63.154 116.537 1.00 48.80 ? ? ? ? ? ? 2243 HOH I O 1 +HETATM 25683 O O . HOH DC 6 . ? 29.577 82.918 85.917 1.00 15.82 ? ? ? ? ? ? 257 HOH J O 1 +HETATM 25684 O O . HOH DC 6 . ? 48.738 98.440 95.320 1.00 17.06 ? ? ? ? ? ? 258 HOH J O 1 +HETATM 25685 O O . HOH DC 6 . ? 37.439 103.197 98.087 1.00 17.22 ? ? ? ? ? ? 259 HOH J O 1 +HETATM 25686 O O . HOH DC 6 . ? 43.193 78.237 91.619 1.00 17.20 ? ? ? ? ? ? 260 HOH J O 1 +HETATM 25687 O O . HOH DC 6 . ? 30.414 109.009 75.457 1.00 18.14 ? ? ? ? ? ? 261 HOH J O 1 +HETATM 25688 O O . HOH DC 6 . ? 48.691 98.659 90.632 1.00 15.81 ? ? ? ? ? ? 262 HOH J O 1 +HETATM 25689 O O . HOH DC 6 . ? 44.026 89.567 105.011 1.00 18.48 ? ? ? ? ? ? 263 HOH J O 1 +HETATM 25690 O O . HOH DC 6 . ? 19.777 85.788 68.920 1.00 21.84 ? ? ? ? ? ? 264 HOH J O 1 +HETATM 25691 O O . HOH DC 6 . ? 26.659 81.494 67.111 1.00 19.38 ? ? ? ? ? ? 265 HOH J O 1 +HETATM 25692 O O . HOH DC 6 . ? 27.055 85.007 70.413 1.00 19.03 ? ? ? ? ? ? 266 HOH J O 1 +HETATM 25693 O O . HOH DC 6 . ? 23.304 83.457 74.895 1.00 19.87 ? ? ? ? ? ? 267 HOH J O 1 +HETATM 25694 O O . HOH DC 6 . ? 38.590 96.728 85.621 1.00 20.14 ? ? ? ? ? ? 268 HOH J O 1 +HETATM 25695 O O . HOH DC 6 . ? 24.114 86.792 67.966 1.00 20.29 ? ? ? ? ? ? 269 HOH J O 1 +HETATM 25696 O O . HOH DC 6 . ? 29.694 86.650 81.056 1.00 21.90 ? ? ? ? ? ? 270 HOH J O 1 +HETATM 25697 O O . HOH DC 6 . ? 23.054 79.016 82.708 1.00 22.86 ? ? ? ? ? ? 271 HOH J O 1 +HETATM 25698 O O . HOH DC 6 . ? 28.110 87.048 91.012 1.00 21.72 ? ? ? ? ? ? 272 HOH J O 1 +HETATM 25699 O O . HOH DC 6 . ? 29.414 95.882 101.440 1.00 21.57 ? ? ? ? ? ? 273 HOH J O 1 +HETATM 25700 O O . HOH DC 6 . ? 52.019 89.566 75.996 1.00 23.29 ? ? ? ? ? ? 291 HOH J O 1 +HETATM 25701 O O . HOH DC 6 . ? 36.250 101.055 88.912 1.00 23.88 ? ? ? ? ? ? 341 HOH J O 1 +HETATM 25702 O O . HOH DC 6 . ? 27.313 92.249 60.761 1.00 23.50 ? ? ? ? ? ? 349 HOH J O 1 +HETATM 25703 O O . HOH DC 6 . ? 16.129 93.118 91.630 1.00 27.82 ? ? ? ? ? ? 364 HOH J O 1 +HETATM 25704 O O . HOH DC 6 . ? 31.076 88.665 80.689 1.00 23.33 ? ? ? ? ? ? 368 HOH J O 1 +HETATM 25705 O O . HOH DC 6 . ? 41.471 100.298 99.736 1.00 23.16 ? ? ? ? ? ? 370 HOH J O 1 +HETATM 25706 O O . HOH DC 6 . ? 24.283 72.376 79.603 1.00 22.10 ? ? ? ? ? ? 376 HOH J O 1 +HETATM 25707 O O . HOH DC 6 . ? 30.106 84.986 74.870 1.00 24.42 ? ? ? ? ? ? 383 HOH J O 1 +HETATM 25708 O O . HOH DC 6 . ? 21.208 88.917 70.953 1.00 24.02 ? ? ? ? ? ? 403 HOH J O 1 +HETATM 25709 O O . HOH DC 6 . ? 22.745 96.836 88.550 1.00 22.49 ? ? ? ? ? ? 420 HOH J O 1 +HETATM 25710 O O . HOH DC 6 . ? 47.361 99.119 92.932 1.00 24.84 ? ? ? ? ? ? 433 HOH J O 1 +HETATM 25711 O O . HOH DC 6 . ? 28.028 74.505 66.657 1.00 23.00 ? ? ? ? ? ? 435 HOH J O 1 +HETATM 25712 O O . HOH DC 6 . ? 31.415 87.058 76.716 1.00 25.52 ? ? ? ? ? ? 443 HOH J O 1 +HETATM 25713 O O . HOH DC 6 . ? 33.960 84.472 81.167 1.00 25.43 ? ? ? ? ? ? 461 HOH J O 1 +HETATM 25714 O O . HOH DC 6 . ? 39.138 94.292 84.615 1.00 25.08 ? ? ? ? ? ? 467 HOH J O 1 +HETATM 25715 O O . HOH DC 6 . ? 28.920 75.060 63.982 1.00 24.33 ? ? ? ? ? ? 480 HOH J O 1 +HETATM 25716 O O . HOH DC 6 . ? 43.872 75.110 82.135 1.00 24.73 ? ? ? ? ? ? 487 HOH J O 1 +HETATM 25717 O O . HOH DC 6 . ? 50.418 75.561 78.641 1.00 25.92 ? ? ? ? ? ? 503 HOH J O 1 +HETATM 25718 O O . HOH DC 6 . ? 34.613 100.478 100.681 1.00 24.19 ? ? ? ? ? ? 517 HOH J O 1 +HETATM 25719 O O . HOH DC 6 . ? 37.962 80.399 66.891 1.00 25.15 ? ? ? ? ? ? 521 HOH J O 1 +HETATM 25720 O O . HOH DC 6 . ? 36.357 92.877 84.671 1.00 26.14 ? ? ? ? ? ? 532 HOH J O 1 +HETATM 25721 O O . HOH DC 6 . ? 33.306 95.999 90.408 1.00 25.51 ? ? ? ? ? ? 550 HOH J O 1 +HETATM 25722 O O . HOH DC 6 . ? 44.329 95.746 102.593 1.00 23.62 ? ? ? ? ? ? 552 HOH J O 1 +HETATM 25723 O O . HOH DC 6 . ? 39.591 106.315 93.764 1.00 25.87 ? ? ? ? ? ? 554 HOH J O 1 +HETATM 25724 O O . HOH DC 6 . ? 54.214 80.317 85.905 1.00 23.97 ? ? ? ? ? ? 565 HOH J O 1 +HETATM 25725 O O . HOH DC 6 . ? 43.224 73.326 97.152 1.00 24.50 ? ? ? ? ? ? 575 HOH J O 1 +HETATM 25726 O O . HOH DC 6 . ? 34.368 100.625 98.085 1.00 26.31 ? ? ? ? ? ? 589 HOH J O 1 +HETATM 25727 O O . HOH DC 6 . ? 54.811 91.541 74.800 1.00 27.01 ? ? ? ? ? ? 605 HOH J O 1 +HETATM 25728 O O . HOH DC 6 . ? 41.105 93.743 79.699 1.00 25.42 ? ? ? ? ? ? 606 HOH J O 1 +HETATM 25729 O O . HOH DC 6 . ? 16.626 91.890 89.667 1.00 25.83 ? ? ? ? ? ? 620 HOH J O 1 +HETATM 25730 O O . HOH DC 6 . ? 30.732 76.860 63.170 1.00 25.10 ? ? ? ? ? ? 646 HOH J O 1 +HETATM 25731 O O . HOH DC 6 . ? 27.850 70.292 73.452 1.00 25.94 ? ? ? ? ? ? 650 HOH J O 1 +HETATM 25732 O O . HOH DC 6 . ? 53.427 105.278 81.649 1.00 25.61 ? ? ? ? ? ? 661 HOH J O 1 +HETATM 25733 O O . HOH DC 6 . ? 49.275 73.401 79.619 1.00 28.00 ? ? ? ? ? ? 679 HOH J O 1 +HETATM 25734 O O . HOH DC 6 . ? 57.460 73.206 83.372 1.00 26.96 ? ? ? ? ? ? 684 HOH J O 1 +HETATM 25735 O O . HOH DC 6 . ? 34.747 95.210 82.415 1.00 29.70 ? ? ? ? ? ? 699 HOH J O 1 +HETATM 25736 O O . HOH DC 6 . ? 58.843 101.170 88.799 1.00 30.82 ? ? ? ? ? ? 757 HOH J O 1 +HETATM 25737 O O . HOH DC 6 . ? 26.248 73.221 83.211 1.00 29.56 ? ? ? ? ? ? 765 HOH J O 1 +HETATM 25738 O O . HOH DC 6 . ? 24.662 102.787 76.781 1.00 28.99 ? ? ? ? ? ? 772 HOH J O 1 +HETATM 25739 O O . HOH DC 6 . ? 32.649 71.150 69.159 1.00 27.73 ? ? ? ? ? ? 778 HOH J O 1 +HETATM 25740 O O . HOH DC 6 . ? 40.659 99.643 97.179 1.00 30.19 ? ? ? ? ? ? 790 HOH J O 1 +HETATM 25741 O O . HOH DC 6 . ? 25.281 82.688 65.256 1.00 29.13 ? ? ? ? ? ? 796 HOH J O 1 +HETATM 25742 O O . HOH DC 6 . ? 45.283 71.840 88.178 1.00 28.88 ? ? ? ? ? ? 806 HOH J O 1 +HETATM 25743 O O . HOH DC 6 . ? 19.170 102.968 68.488 1.00 27.65 ? ? ? ? ? ? 823 HOH J O 1 +HETATM 25744 O O . HOH DC 6 . ? 30.737 97.467 88.106 1.00 27.56 ? ? ? ? ? ? 837 HOH J O 1 +HETATM 25745 O O . HOH DC 6 . ? 54.911 73.961 83.035 1.00 29.68 ? ? ? ? ? ? 851 HOH J O 1 +HETATM 25746 O O . HOH DC 6 . ? 32.052 96.448 102.598 1.00 30.99 ? ? ? ? ? ? 875 HOH J O 1 +HETATM 25747 O O . HOH DC 6 . ? 42.709 93.922 105.357 1.00 32.29 ? ? ? ? ? ? 878 HOH J O 1 +HETATM 25748 O O . HOH DC 6 . ? 36.634 91.300 73.632 1.00 39.87 ? ? ? ? ? ? 893 HOH J O 1 +HETATM 25749 O O . HOH DC 6 . ? 40.268 93.270 72.538 1.00 33.71 ? ? ? ? ? ? 894 HOH J O 1 +HETATM 25750 O O . HOH DC 6 . ? 15.223 107.471 71.118 1.00 29.63 ? ? ? ? ? ? 914 HOH J O 1 +HETATM 25751 O O . HOH DC 6 . ? 49.208 85.660 71.272 1.00 31.37 ? ? ? ? ? ? 947 HOH J O 1 +HETATM 25752 O O . HOH DC 6 . ? 49.973 83.892 69.435 1.00 30.49 ? ? ? ? ? ? 952 HOH J O 1 +HETATM 25753 O O . HOH DC 6 . ? 36.376 97.510 103.393 1.00 29.24 ? ? ? ? ? ? 962 HOH J O 1 +HETATM 25754 O O . HOH DC 6 . ? 16.821 87.117 81.719 1.00 30.97 ? ? ? ? ? ? 966 HOH J O 1 +HETATM 25755 O O . HOH DC 6 . ? 41.742 73.116 89.458 1.00 28.28 ? ? ? ? ? ? 975 HOH J O 1 +HETATM 25756 O O . HOH DC 6 . ? 56.056 91.696 103.680 1.00 30.53 ? ? ? ? ? ? 984 HOH J O 1 +HETATM 25757 O O . HOH DC 6 . ? 13.659 98.762 73.508 1.00 29.84 ? ? ? ? ? ? 986 HOH J O 1 +HETATM 25758 O O . HOH DC 6 . ? 28.578 82.092 94.889 1.00 32.39 ? ? ? ? ? ? 990 HOH J O 1 +HETATM 25759 O O . HOH DC 6 . ? 55.837 95.289 92.691 1.00 33.24 ? ? ? ? ? ? 1014 HOH J O 1 +HETATM 25760 O O . HOH DC 6 . ? 28.934 105.028 76.495 1.00 32.08 ? ? ? ? ? ? 1020 HOH J O 1 +HETATM 25761 O O . HOH DC 6 . ? 26.168 91.813 84.481 1.00 31.71 ? ? ? ? ? ? 1025 HOH J O 1 +HETATM 25762 O O . HOH DC 6 . ? 57.792 82.808 96.843 1.00 32.70 ? ? ? ? ? ? 1028 HOH J O 1 +HETATM 25763 O O . HOH DC 6 . ? 18.970 101.681 85.148 1.00 31.17 ? ? ? ? ? ? 1046 HOH J O 1 +HETATM 25764 O O . HOH DC 6 . ? 17.752 86.154 75.465 1.00 30.25 ? ? ? ? ? ? 1048 HOH J O 1 +HETATM 25765 O O . HOH DC 6 . ? 27.549 89.269 82.309 1.00 30.63 ? ? ? ? ? ? 1099 HOH J O 1 +HETATM 25766 O O . HOH DC 6 . ? 24.559 99.025 78.162 1.00 31.13 ? ? ? ? ? ? 1116 HOH J O 1 +HETATM 25767 O O . HOH DC 6 . ? 45.132 80.150 67.279 1.00 31.81 ? ? ? ? ? ? 1120 HOH J O 1 +HETATM 25768 O O . HOH DC 6 . ? 36.943 100.008 86.469 1.00 31.84 ? ? ? ? ? ? 1122 HOH J O 1 +HETATM 25769 O O . HOH DC 6 . ? 56.506 79.424 98.637 1.00 30.52 ? ? ? ? ? ? 1134 HOH J O 1 +HETATM 25770 O O . HOH DC 6 . ? 36.800 69.758 73.835 1.00 31.65 ? ? ? ? ? ? 1140 HOH J O 1 +HETATM 25771 O O . HOH DC 6 . ? 53.523 74.714 79.078 1.00 34.98 ? ? ? ? ? ? 1141 HOH J O 1 +HETATM 25772 O O . HOH DC 6 . ? 30.250 69.969 74.872 1.00 29.70 ? ? ? ? ? ? 1148 HOH J O 1 +HETATM 25773 O O . HOH DC 6 . ? 49.273 93.867 105.113 1.00 34.99 ? ? ? ? ? ? 1166 HOH J O 1 +HETATM 25774 O O . HOH DC 6 . ? 26.481 75.023 62.437 1.00 33.68 ? ? ? ? ? ? 1197 HOH J O 1 +HETATM 25775 O O . HOH DC 6 . ? 51.708 100.454 93.387 1.00 31.82 ? ? ? ? ? ? 1212 HOH J O 1 +HETATM 25776 O O . HOH DC 6 . ? 38.969 70.970 72.679 1.00 33.29 ? ? ? ? ? ? 1262 HOH J O 1 +HETATM 25777 O O . HOH DC 6 . ? 54.299 88.443 93.485 1.00 32.27 ? ? ? ? ? ? 1287 HOH J O 1 +HETATM 25778 O O . HOH DC 6 . ? 52.193 94.139 105.178 1.00 35.41 ? ? ? ? ? ? 1288 HOH J O 1 +HETATM 25779 O O . HOH DC 6 . ? 24.176 68.989 73.237 1.00 35.69 ? ? ? ? ? ? 1308 HOH J O 1 +HETATM 25780 O O . HOH DC 6 . ? 24.099 85.476 65.640 1.00 32.42 ? ? ? ? ? ? 1322 HOH J O 1 +HETATM 25781 O O . HOH DC 6 . ? 36.559 79.331 94.673 1.00 34.47 ? ? ? ? ? ? 1324 HOH J O 1 +HETATM 25782 O O . HOH DC 6 . ? 43.393 104.734 99.546 1.00 34.27 ? ? ? ? ? ? 1325 HOH J O 1 +HETATM 25783 O O . HOH DC 6 . ? 49.382 79.391 73.749 1.00 34.41 ? ? ? ? ? ? 1341 HOH J O 1 +HETATM 25784 O O . HOH DC 6 . ? 19.307 84.654 66.330 1.00 36.03 ? ? ? ? ? ? 1354 HOH J O 1 +HETATM 25785 O O . HOH DC 6 . ? 43.069 73.909 84.969 1.00 33.39 ? ? ? ? ? ? 1365 HOH J O 1 +HETATM 25786 O O . HOH DC 6 . ? 37.473 75.687 63.864 1.00 33.22 ? ? ? ? ? ? 1367 HOH J O 1 +HETATM 25787 O O . HOH DC 6 . ? 55.044 99.232 91.438 1.00 35.98 ? ? ? ? ? ? 1375 HOH J O 1 +HETATM 25788 O O . HOH DC 6 . ? 37.908 103.210 100.535 1.00 33.33 ? ? ? ? ? ? 1384 HOH J O 1 +HETATM 25789 O O . HOH DC 6 . ? 34.910 97.864 101.125 1.00 37.14 ? ? ? ? ? ? 1387 HOH J O 1 +HETATM 25790 O O . HOH DC 6 . ? 16.558 94.285 89.436 1.00 34.57 ? ? ? ? ? ? 1398 HOH J O 1 +HETATM 25791 O O . HOH DC 6 . ? 22.146 69.890 81.498 1.00 32.79 ? ? ? ? ? ? 1399 HOH J O 1 +HETATM 25792 O O . HOH DC 6 . ? 28.678 91.801 70.847 1.00 36.11 ? ? ? ? ? ? 1406 HOH J O 1 +HETATM 25793 O O . HOH DC 6 . ? 16.886 71.164 76.259 1.00 33.22 ? ? ? ? ? ? 1425 HOH J O 1 +HETATM 25794 O O . HOH DC 6 . ? 29.449 77.827 60.814 1.00 35.29 ? ? ? ? ? ? 1488 HOH J O 1 +HETATM 25795 O O . HOH DC 6 . ? 21.631 87.847 68.602 1.00 36.72 ? ? ? ? ? ? 1531 HOH J O 1 +HETATM 25796 O O . HOH DC 6 . ? 60.966 81.579 89.672 1.00 36.62 ? ? ? ? ? ? 1535 HOH J O 1 +HETATM 25797 O O . HOH DC 6 . ? 30.912 107.318 72.965 1.00 38.13 ? ? ? ? ? ? 1537 HOH J O 1 +HETATM 25798 O O . HOH DC 6 . ? 18.831 74.308 71.254 1.00 35.11 ? ? ? ? ? ? 1559 HOH J O 1 +HETATM 25799 O O . HOH DC 6 . ? 16.053 84.126 72.807 1.00 35.79 ? ? ? ? ? ? 1564 HOH J O 1 +HETATM 25800 O O . HOH DC 6 . ? 56.368 89.222 76.200 1.00 37.90 ? ? ? ? ? ? 1568 HOH J O 1 +HETATM 25801 O O . HOH DC 6 . ? 12.188 104.276 70.514 1.00 42.24 ? ? ? ? ? ? 1582 HOH J O 1 +HETATM 25802 O O . HOH DC 6 . ? 27.573 92.531 82.655 1.00 36.66 ? ? ? ? ? ? 1618 HOH J O 1 +HETATM 25803 O O . HOH DC 6 . ? 18.422 89.864 69.077 1.00 39.51 ? ? ? ? ? ? 1642 HOH J O 1 +HETATM 25804 O O . HOH DC 6 . ? 46.816 77.063 74.588 1.00 35.12 ? ? ? ? ? ? 1657 HOH J O 1 +HETATM 25805 O O . HOH DC 6 . ? 50.437 68.529 90.618 1.00 40.49 ? ? ? ? ? ? 1664 HOH J O 1 +HETATM 25806 O O . HOH DC 6 . ? 52.529 87.874 72.738 1.00 39.68 ? ? ? ? ? ? 1667 HOH J O 1 +HETATM 25807 O O . HOH DC 6 . ? 57.953 96.015 95.366 1.00 35.59 ? ? ? ? ? ? 1688 HOH J O 1 +HETATM 25808 O O . HOH DC 6 . ? 60.155 102.729 81.609 1.00 35.43 ? ? ? ? ? ? 1697 HOH J O 1 +HETATM 25809 O O . HOH DC 6 . ? 44.777 90.873 106.777 1.00 38.17 ? ? ? ? ? ? 1710 HOH J O 1 +HETATM 25810 O O . HOH DC 6 . ? 57.622 97.921 89.883 1.00 39.02 ? ? ? ? ? ? 1726 HOH J O 1 +HETATM 25811 O O . HOH DC 6 . ? 48.165 84.175 66.869 1.00 38.87 ? ? ? ? ? ? 1727 HOH J O 1 +HETATM 25812 O O . HOH DC 6 . ? 15.664 80.384 71.591 1.00 37.68 ? ? ? ? ? ? 1731 HOH J O 1 +HETATM 25813 O O . HOH DC 6 . ? 40.634 97.828 81.492 1.00 42.55 ? ? ? ? ? ? 1747 HOH J O 1 +HETATM 25814 O O . HOH DC 6 . ? 42.424 95.642 81.019 1.00 39.30 ? ? ? ? ? ? 1753 HOH J O 1 +HETATM 25815 O O . HOH DC 6 . ? 40.394 71.475 80.722 1.00 38.08 ? ? ? ? ? ? 1762 HOH J O 1 +HETATM 25816 O O . HOH DC 6 . ? 15.527 84.316 81.701 1.00 39.01 ? ? ? ? ? ? 1772 HOH J O 1 +HETATM 25817 O O . HOH DC 6 . ? 37.770 77.245 88.557 1.00 38.95 ? ? ? ? ? ? 1783 HOH J O 1 +HETATM 25818 O O . HOH DC 6 . ? 58.259 89.054 91.240 1.00 44.07 ? ? ? ? ? ? 1788 HOH J O 1 +HETATM 25819 O O . HOH DC 6 . ? 43.486 91.382 69.430 1.00 39.57 ? ? ? ? ? ? 1793 HOH J O 1 +HETATM 25820 O O . HOH DC 6 . ? 44.221 74.982 75.507 1.00 41.55 ? ? ? ? ? ? 1806 HOH J O 1 +HETATM 25821 O O . HOH DC 6 . ? 35.760 77.075 96.654 1.00 42.28 ? ? ? ? ? ? 1815 HOH J O 1 +HETATM 25822 O O . HOH DC 6 . ? 19.096 80.206 65.846 1.00 41.76 ? ? ? ? ? ? 1831 HOH J O 1 +HETATM 25823 O O . HOH DC 6 . ? 22.056 92.128 65.559 1.00 40.70 ? ? ? ? ? ? 1835 HOH J O 1 +HETATM 25824 O O . HOH DC 6 . ? 37.380 68.651 81.243 1.00 36.48 ? ? ? ? ? ? 1840 HOH J O 1 +HETATM 25825 O O . HOH DC 6 . ? 53.026 103.250 93.821 1.00 38.73 ? ? ? ? ? ? 1856 HOH J O 1 +HETATM 25826 O O . HOH DC 6 . ? 54.285 86.813 74.473 1.00 40.34 ? ? ? ? ? ? 1881 HOH J O 1 +HETATM 25827 O O . HOH DC 6 . ? 58.887 96.004 98.271 1.00 40.91 ? ? ? ? ? ? 1889 HOH J O 1 +HETATM 25828 O O . HOH DC 6 . ? 15.485 88.769 84.015 1.00 38.97 ? ? ? ? ? ? 1895 HOH J O 1 +HETATM 25829 O O . HOH DC 6 . ? 62.078 95.189 92.266 1.00 43.50 ? ? ? ? ? ? 1936 HOH J O 1 +HETATM 25830 O O . HOH DC 6 . ? 56.546 89.076 72.743 1.00 43.73 ? ? ? ? ? ? 1938 HOH J O 1 +HETATM 25831 O O . HOH DC 6 . ? 44.609 76.372 72.911 1.00 42.77 ? ? ? ? ? ? 1982 HOH J O 1 +HETATM 25832 O O . HOH DC 6 . ? 20.954 94.117 71.612 1.00 44.16 ? ? ? ? ? ? 1986 HOH J O 1 +HETATM 25833 O O . HOH DC 6 . ? 47.514 64.301 95.613 1.00 43.42 ? ? ? ? ? ? 2003 HOH J O 1 +HETATM 25834 O O . HOH DC 6 . ? 49.394 76.529 76.253 1.00 48.10 ? ? ? ? ? ? 2008 HOH J O 1 +HETATM 25835 O O . HOH DC 6 . ? 49.477 73.540 75.800 1.00 42.66 ? ? ? ? ? ? 2032 HOH J O 1 +HETATM 25836 O O . HOH DC 6 . ? 28.313 67.664 78.138 1.00 43.04 ? ? ? ? ? ? 2036 HOH J O 1 +HETATM 25837 O O . HOH DC 6 . ? 15.837 81.578 73.976 1.00 39.82 ? ? ? ? ? ? 2049 HOH J O 1 +HETATM 25838 O O . HOH DC 6 . ? 32.677 87.270 68.851 1.00 44.97 ? ? ? ? ? ? 2058 HOH J O 1 +HETATM 25839 O O . HOH DC 6 . ? 47.702 71.930 77.974 1.00 41.35 ? ? ? ? ? ? 2064 HOH J O 1 +HETATM 25840 O O . HOH DC 6 . ? 37.751 75.041 86.758 1.00 52.83 ? ? ? ? ? ? 2067 HOH J O 1 +HETATM 25841 O O . HOH DC 6 . ? 38.243 68.529 76.409 1.00 47.54 ? ? ? ? ? ? 2118 HOH J O 1 +HETATM 25842 O O . HOH DC 6 . ? 58.546 95.845 101.103 1.00 39.35 ? ? ? ? ? ? 2123 HOH J O 1 +HETATM 25843 O O . HOH DC 6 . ? 16.019 75.147 74.525 1.00 43.15 ? ? ? ? ? ? 2134 HOH J O 1 +HETATM 25844 O O . HOH DC 6 . ? 17.122 73.975 77.705 1.00 45.06 ? ? ? ? ? ? 2142 HOH J O 1 +HETATM 25845 O O . HOH DC 6 . ? 38.045 100.587 103.249 1.00 45.35 ? ? ? ? ? ? 2144 HOH J O 1 +HETATM 25846 O O . HOH DC 6 . ? 39.161 76.049 90.764 1.00 46.23 ? ? ? ? ? ? 2151 HOH J O 1 +HETATM 25847 O O . HOH DC 6 . ? 17.752 96.075 97.607 1.00 44.66 ? ? ? ? ? ? 2170 HOH J O 1 +HETATM 25848 O O . HOH DC 6 . ? 32.768 69.413 70.963 1.00 47.28 ? ? ? ? ? ? 2174 HOH J O 1 +HETATM 25849 O O . HOH DC 6 . ? 64.821 94.266 84.747 1.00 48.60 ? ? ? ? ? ? 2175 HOH J O 1 +HETATM 25850 O O . HOH DC 6 . ? 42.990 69.996 88.167 1.00 47.16 ? ? ? ? ? ? 2179 HOH J O 1 +HETATM 25851 O O . HOH DC 6 . ? 66.702 94.012 86.886 1.00 46.08 ? ? ? ? ? ? 2183 HOH J O 1 +HETATM 25852 O O . HOH DC 6 . ? 40.558 87.505 74.639 1.00 47.73 ? ? ? ? ? ? 2195 HOH J O 1 +HETATM 25853 O O . HOH DC 6 . ? 36.962 97.734 84.027 1.00 43.38 ? ? ? ? ? ? 2198 HOH J O 1 +HETATM 25854 O O . HOH DC 6 . ? 39.993 72.641 86.286 1.00 46.62 ? ? ? ? ? ? 2216 HOH J O 1 +HETATM 25855 O O . HOH DC 6 . ? 63.035 72.340 102.685 1.00 51.16 ? ? ? ? ? ? 2223 HOH J O 1 +HETATM 25856 O O . HOH DC 6 . ? 41.312 69.303 73.250 1.00 40.37 ? ? ? ? ? ? 2252 HOH J O 1 +HETATM 25857 O O . HOH DC 6 . ? 56.161 81.818 98.658 1.00 33.40 ? ? ? ? ? ? 2254 HOH J O 1 +HETATM 25858 O O . HOH DC 6 . ? 56.365 89.262 94.255 1.00 29.85 ? ? ? ? ? ? 2255 HOH J O 1 +HETATM 25859 O O . HOH EC 6 . ? 33.271 101.311 88.200 1.00 16.72 ? ? ? ? ? ? 257 HOH K O 1 +HETATM 25860 O O . HOH EC 6 . ? 21.406 103.297 88.531 1.00 17.00 ? ? ? ? ? ? 258 HOH K O 1 +HETATM 25861 O O . HOH EC 6 . ? 19.504 104.265 90.155 1.00 18.61 ? ? ? ? ? ? 259 HOH K O 1 +HETATM 25862 O O . HOH EC 6 . ? 28.376 96.349 92.185 1.00 17.27 ? ? ? ? ? ? 260 HOH K O 1 +HETATM 25863 O O . HOH EC 6 . ? 30.412 97.128 90.872 1.00 19.38 ? ? ? ? ? ? 261 HOH K O 1 +HETATM 25864 O O . HOH EC 6 . ? 31.894 105.672 84.196 1.00 22.14 ? ? ? ? ? ? 262 HOH K O 1 +HETATM 25865 O O . HOH EC 6 . ? 34.402 109.249 83.998 1.00 20.97 ? ? ? ? ? ? 263 HOH K O 1 +HETATM 25866 O O . HOH EC 6 . ? 12.040 120.638 67.253 1.00 17.84 ? ? ? ? ? ? 264 HOH K O 1 +HETATM 25867 O O . HOH EC 6 . ? 40.505 119.256 86.764 1.00 19.34 ? ? ? ? ? ? 265 HOH K O 1 +HETATM 25868 O O . HOH EC 6 . ? 40.284 115.521 92.361 1.00 20.79 ? ? ? ? ? ? 266 HOH K O 1 +HETATM 25869 O O . HOH EC 6 . ? 35.557 106.498 90.229 1.00 21.33 ? ? ? ? ? ? 267 HOH K O 1 +HETATM 25870 O O . HOH EC 6 . ? 29.069 99.517 97.024 1.00 21.46 ? ? ? ? ? ? 268 HOH K O 1 +HETATM 25871 O O . HOH EC 6 . ? 43.499 111.771 99.209 1.00 22.19 ? ? ? ? ? ? 272 HOH K O 1 +HETATM 25872 O O . HOH EC 6 . ? 47.741 123.231 85.837 1.00 22.03 ? ? ? ? ? ? 330 HOH K O 1 +HETATM 25873 O O . HOH EC 6 . ? 20.957 103.594 85.678 1.00 22.15 ? ? ? ? ? ? 338 HOH K O 1 +HETATM 25874 O O . HOH EC 6 . ? 22.461 112.165 70.543 1.00 22.34 ? ? ? ? ? ? 353 HOH K O 1 +HETATM 25875 O O . HOH EC 6 . ? 25.029 130.324 83.146 1.00 23.35 ? ? ? ? ? ? 358 HOH K O 1 +HETATM 25876 O O . HOH EC 6 . ? 24.739 102.520 96.823 1.00 22.03 ? ? ? ? ? ? 392 HOH K O 1 +HETATM 25877 O O . HOH EC 6 . ? 35.473 106.856 102.098 1.00 23.58 ? ? ? ? ? ? 430 HOH K O 1 +HETATM 25878 O O . HOH EC 6 . ? 28.261 126.975 78.582 1.00 27.57 ? ? ? ? ? ? 463 HOH K O 1 +HETATM 25879 O O . HOH EC 6 . ? 23.876 129.210 92.752 1.00 25.41 ? ? ? ? ? ? 464 HOH K O 1 +HETATM 25880 O O . HOH EC 6 . ? 41.089 103.160 100.395 1.00 25.30 ? ? ? ? ? ? 468 HOH K O 1 +HETATM 25881 O O . HOH EC 6 . ? 37.959 105.300 91.596 1.00 26.32 ? ? ? ? ? ? 469 HOH K O 1 +HETATM 25882 O O . HOH EC 6 . ? 37.775 117.689 80.964 1.00 24.75 ? ? ? ? ? ? 499 HOH K O 1 +HETATM 25883 O O . HOH EC 6 . ? 43.401 113.006 84.217 1.00 25.09 ? ? ? ? ? ? 524 HOH K O 1 +HETATM 25884 O O . HOH EC 6 . ? 31.791 108.106 77.681 1.00 23.45 ? ? ? ? ? ? 525 HOH K O 1 +HETATM 25885 O O . HOH EC 6 . ? 44.770 128.884 84.993 1.00 25.48 ? ? ? ? ? ? 540 HOH K O 1 +HETATM 25886 O O . HOH EC 6 . ? 42.108 115.482 82.237 1.00 25.16 ? ? ? ? ? ? 549 HOH K O 1 +HETATM 25887 O O . HOH EC 6 . ? 42.779 92.812 78.096 1.00 25.53 ? ? ? ? ? ? 593 HOH K O 1 +HETATM 25888 O O . HOH EC 6 . ? 19.241 96.629 76.234 1.00 26.66 ? ? ? ? ? ? 609 HOH K O 1 +HETATM 25889 O O . HOH EC 6 . ? 44.283 110.171 86.967 1.00 26.91 ? ? ? ? ? ? 629 HOH K O 1 +HETATM 25890 O O . HOH EC 6 . ? 46.627 131.420 75.316 1.00 26.12 ? ? ? ? ? ? 633 HOH K O 1 +HETATM 25891 O O . HOH EC 6 . ? 38.923 105.173 89.167 1.00 27.57 ? ? ? ? ? ? 640 HOH K O 1 +HETATM 25892 O O . HOH EC 6 . ? 9.714 110.993 95.386 1.00 28.65 ? ? ? ? ? ? 652 HOH K O 1 +HETATM 25893 O O . HOH EC 6 . ? 28.919 130.767 90.537 1.00 26.85 ? ? ? ? ? ? 664 HOH K O 1 +HETATM 25894 O O . HOH EC 6 . ? 17.212 121.815 78.626 1.00 26.99 ? ? ? ? ? ? 666 HOH K O 1 +HETATM 25895 O O . HOH EC 6 . ? 31.879 118.149 63.123 1.00 25.72 ? ? ? ? ? ? 668 HOH K O 1 +HETATM 25896 O O . HOH EC 6 . ? 32.573 106.794 102.140 1.00 28.75 ? ? ? ? ? ? 680 HOH K O 1 +HETATM 25897 O O . HOH EC 6 . ? 23.337 125.823 73.024 1.00 28.46 ? ? ? ? ? ? 689 HOH K O 1 +HETATM 25898 O O . HOH EC 6 . ? 38.807 120.955 65.984 1.00 27.04 ? ? ? ? ? ? 696 HOH K O 1 +HETATM 25899 O O . HOH EC 6 . ? 17.329 102.053 87.354 1.00 27.69 ? ? ? ? ? ? 697 HOH K O 1 +HETATM 25900 O O . HOH EC 6 . ? 48.273 116.820 72.909 1.00 27.86 ? ? ? ? ? ? 717 HOH K O 1 +HETATM 25901 O O . HOH EC 6 . ? 16.740 135.944 89.113 1.00 26.67 ? ? ? ? ? ? 739 HOH K O 1 +HETATM 25902 O O . HOH EC 6 . ? 43.941 96.850 79.207 1.00 27.71 ? ? ? ? ? ? 768 HOH K O 1 +HETATM 25903 O O . HOH EC 6 . ? 15.110 128.626 74.983 1.00 31.05 ? ? ? ? ? ? 780 HOH K O 1 +HETATM 25904 O O . HOH EC 6 . ? 43.675 116.853 76.318 1.00 27.05 ? ? ? ? ? ? 785 HOH K O 1 +HETATM 25905 O O . HOH EC 6 . ? 36.085 130.801 70.682 1.00 27.16 ? ? ? ? ? ? 792 HOH K O 1 +HETATM 25906 O O . HOH EC 6 . ? 47.973 99.044 80.625 1.00 29.98 ? ? ? ? ? ? 834 HOH K O 1 +HETATM 25907 O O . HOH EC 6 . ? 20.346 109.524 68.306 1.00 31.66 ? ? ? ? ? ? 868 HOH K O 1 +HETATM 25908 O O . HOH EC 6 . ? 49.600 120.393 70.069 1.00 28.77 ? ? ? ? ? ? 882 HOH K O 1 +HETATM 25909 O O . HOH EC 6 . ? 56.611 98.501 75.064 1.00 29.54 ? ? ? ? ? ? 905 HOH K O 1 +HETATM 25910 O O . HOH EC 6 . ? 43.290 94.467 75.601 1.00 28.32 ? ? ? ? ? ? 942 HOH K O 1 +HETATM 25911 O O . HOH EC 6 . ? 40.157 105.212 84.405 1.00 26.96 ? ? ? ? ? ? 961 HOH K O 1 +HETATM 25912 O O . HOH EC 6 . ? 13.180 107.199 84.906 1.00 33.03 ? ? ? ? ? ? 968 HOH K O 1 +HETATM 25913 O O . HOH EC 6 . ? 19.267 112.139 101.840 1.00 31.62 ? ? ? ? ? ? 991 HOH K O 1 +HETATM 25914 O O . HOH EC 6 . ? 32.061 107.944 83.003 1.00 27.80 ? ? ? ? ? ? 1013 HOH K O 1 +HETATM 25915 O O . HOH EC 6 . ? 22.573 95.470 96.631 1.00 31.82 ? ? ? ? ? ? 1023 HOH K O 1 +HETATM 25916 O O . HOH EC 6 . ? 47.517 103.047 82.100 1.00 29.31 ? ? ? ? ? ? 1032 HOH K O 1 +HETATM 25917 O O . HOH EC 6 . ? 22.875 97.974 96.182 1.00 31.41 ? ? ? ? ? ? 1036 HOH K O 1 +HETATM 25918 O O . HOH EC 6 . ? 13.061 108.797 98.085 1.00 31.57 ? ? ? ? ? ? 1043 HOH K O 1 +HETATM 25919 O O . HOH EC 6 . ? 47.934 129.532 81.828 1.00 29.81 ? ? ? ? ? ? 1047 HOH K O 1 +HETATM 25920 O O . HOH EC 6 . ? 32.112 102.208 97.764 1.00 31.30 ? ? ? ? ? ? 1067 HOH K O 1 +HETATM 25921 O O . HOH EC 6 . ? 14.680 114.074 86.254 1.00 30.27 ? ? ? ? ? ? 1073 HOH K O 1 +HETATM 25922 O O . HOH EC 6 . ? 46.002 105.693 92.452 1.00 31.77 ? ? ? ? ? ? 1085 HOH K O 1 +HETATM 25923 O O . HOH EC 6 . ? 43.222 130.540 69.783 1.00 31.41 ? ? ? ? ? ? 1125 HOH K O 1 +HETATM 25924 O O . HOH EC 6 . ? 45.501 130.815 69.135 1.00 30.06 ? ? ? ? ? ? 1128 HOH K O 1 +HETATM 25925 O O . HOH EC 6 . ? 29.979 106.155 78.770 1.00 32.05 ? ? ? ? ? ? 1151 HOH K O 1 +HETATM 25926 O O . HOH EC 6 . ? 28.344 128.141 81.224 1.00 31.54 ? ? ? ? ? ? 1165 HOH K O 1 +HETATM 25927 O O . HOH EC 6 . ? 25.707 122.241 68.545 1.00 33.70 ? ? ? ? ? ? 1173 HOH K O 1 +HETATM 25928 O O . HOH EC 6 . ? 17.695 128.142 75.455 1.00 31.78 ? ? ? ? ? ? 1176 HOH K O 1 +HETATM 25929 O O . HOH EC 6 . ? 32.085 128.677 83.024 1.00 34.74 ? ? ? ? ? ? 1179 HOH K O 1 +HETATM 25930 O O . HOH EC 6 . ? 26.134 124.246 87.482 1.00 31.68 ? ? ? ? ? ? 1181 HOH K O 1 +HETATM 25931 O O . HOH EC 6 . ? 28.258 105.516 101.677 1.00 36.27 ? ? ? ? ? ? 1187 HOH K O 1 +HETATM 25932 O O . HOH EC 6 . ? 43.830 131.654 75.925 1.00 33.05 ? ? ? ? ? ? 1229 HOH K O 1 +HETATM 25933 O O . HOH EC 6 . ? 49.989 118.433 78.301 1.00 33.62 ? ? ? ? ? ? 1258 HOH K O 1 +HETATM 25934 O O . HOH EC 6 . ? 40.949 113.049 82.004 1.00 33.14 ? ? ? ? ? ? 1342 HOH K O 1 +HETATM 25935 O O . HOH EC 6 . ? 32.043 121.300 64.107 1.00 34.00 ? ? ? ? ? ? 1345 HOH K O 1 +HETATM 25936 O O . HOH EC 6 . ? 29.362 108.803 71.239 1.00 32.60 ? ? ? ? ? ? 1358 HOH K O 1 +HETATM 25937 O O . HOH EC 6 . ? 51.127 100.556 90.502 1.00 39.07 ? ? ? ? ? ? 1362 HOH K O 1 +HETATM 25938 O O . HOH EC 6 . ? 31.677 104.495 79.798 1.00 34.68 ? ? ? ? ? ? 1368 HOH K O 1 +HETATM 25939 O O . HOH EC 6 . ? 25.510 100.042 97.778 1.00 33.83 ? ? ? ? ? ? 1380 HOH K O 1 +HETATM 25940 O O . HOH EC 6 . ? 53.052 112.848 75.494 1.00 33.83 ? ? ? ? ? ? 1383 HOH K O 1 +HETATM 25941 O O . HOH EC 6 . ? 33.404 102.288 85.806 1.00 32.96 ? ? ? ? ? ? 1405 HOH K O 1 +HETATM 25942 O O . HOH EC 6 . ? 51.800 115.141 71.944 1.00 32.72 ? ? ? ? ? ? 1430 HOH K O 1 +HETATM 25943 O O . HOH EC 6 . ? 41.909 114.934 77.182 1.00 37.11 ? ? ? ? ? ? 1437 HOH K O 1 +HETATM 25944 O O . HOH EC 6 . ? 10.056 129.052 88.873 1.00 35.24 ? ? ? ? ? ? 1438 HOH K O 1 +HETATM 25945 O O . HOH EC 6 . ? 55.282 116.055 74.132 1.00 33.55 ? ? ? ? ? ? 1477 HOH K O 1 +HETATM 25946 O O . HOH EC 6 . ? 36.430 106.861 82.546 1.00 32.74 ? ? ? ? ? ? 1490 HOH K O 1 +HETATM 25947 O O . HOH EC 6 . ? 11.546 100.933 80.709 1.00 35.35 ? ? ? ? ? ? 1505 HOH K O 1 +HETATM 25948 O O . HOH EC 6 . ? 37.589 131.975 72.816 1.00 37.93 ? ? ? ? ? ? 1523 HOH K O 1 +HETATM 25949 O O . HOH EC 6 . ? 51.468 119.312 68.736 1.00 36.80 ? ? ? ? ? ? 1527 HOH K O 1 +HETATM 25950 O O . HOH EC 6 . ? 8.179 111.606 90.612 1.00 34.84 ? ? ? ? ? ? 1529 HOH K O 1 +HETATM 25951 O O . HOH EC 6 . ? 47.170 101.556 80.154 1.00 38.42 ? ? ? ? ? ? 1543 HOH K O 1 +HETATM 25952 O O . HOH EC 6 . ? 21.192 106.887 98.707 1.00 37.43 ? ? ? ? ? ? 1549 HOH K O 1 +HETATM 25953 O O . HOH EC 6 . ? 10.783 123.072 90.266 1.00 33.80 ? ? ? ? ? ? 1578 HOH K O 1 +HETATM 25954 O O . HOH EC 6 . ? 38.424 110.603 73.663 1.00 37.05 ? ? ? ? ? ? 1586 HOH K O 1 +HETATM 25955 O O . HOH EC 6 . ? 43.473 107.442 99.810 1.00 36.38 ? ? ? ? ? ? 1616 HOH K O 1 +HETATM 25956 O O . HOH EC 6 . ? 20.411 138.028 89.029 1.00 37.91 ? ? ? ? ? ? 1619 HOH K O 1 +HETATM 25957 O O . HOH EC 6 . ? 36.552 104.185 102.619 1.00 35.93 ? ? ? ? ? ? 1620 HOH K O 1 +HETATM 25958 O O . HOH EC 6 . ? 10.057 118.933 67.979 1.00 40.95 ? ? ? ? ? ? 1644 HOH K O 1 +HETATM 25959 O O . HOH EC 6 . ? 46.486 110.372 73.398 1.00 38.28 ? ? ? ? ? ? 1650 HOH K O 1 +HETATM 25960 O O . HOH EC 6 . ? 44.854 109.786 99.872 1.00 33.64 ? ? ? ? ? ? 1652 HOH K O 1 +HETATM 25961 O O . HOH EC 6 . ? 26.489 103.192 94.443 1.00 37.37 ? ? ? ? ? ? 1678 HOH K O 1 +HETATM 25962 O O . HOH EC 6 . ? 48.509 127.213 69.028 1.00 37.17 ? ? ? ? ? ? 1711 HOH K O 1 +HETATM 25963 O O . HOH EC 6 . ? 7.146 124.096 83.497 1.00 40.65 ? ? ? ? ? ? 1716 HOH K O 1 +HETATM 25964 O O . HOH EC 6 . ? 8.639 116.471 96.280 1.00 37.25 ? ? ? ? ? ? 1720 HOH K O 1 +HETATM 25965 O O . HOH EC 6 . ? 33.612 103.620 83.558 1.00 40.65 ? ? ? ? ? ? 1722 HOH K O 1 +HETATM 25966 O O . HOH EC 6 . ? 18.943 133.930 83.623 1.00 38.18 ? ? ? ? ? ? 1728 HOH K O 1 +HETATM 25967 O O . HOH EC 6 . ? 30.875 104.766 100.540 1.00 41.43 ? ? ? ? ? ? 1743 HOH K O 1 +HETATM 25968 O O . HOH EC 6 . ? 42.720 105.079 82.807 1.00 35.97 ? ? ? ? ? ? 1748 HOH K O 1 +HETATM 25969 O O . HOH EC 6 . ? 58.354 113.767 87.328 1.00 38.36 ? ? ? ? ? ? 1777 HOH K O 1 +HETATM 25970 O O . HOH EC 6 . ? 27.740 99.979 99.313 1.00 42.37 ? ? ? ? ? ? 1814 HOH K O 1 +HETATM 25971 O O . HOH EC 6 . ? 56.920 117.281 72.303 1.00 41.14 ? ? ? ? ? ? 1821 HOH K O 1 +HETATM 25972 O O . HOH EC 6 . ? 26.639 128.357 77.001 1.00 38.46 ? ? ? ? ? ? 1847 HOH K O 1 +HETATM 25973 O O . HOH EC 6 . ? 31.618 129.827 78.576 1.00 39.17 ? ? ? ? ? ? 1851 HOH K O 1 +HETATM 25974 O O . HOH EC 6 . ? 7.538 107.737 73.803 1.00 41.27 ? ? ? ? ? ? 1855 HOH K O 1 +HETATM 25975 O O . HOH EC 6 . ? 9.541 113.030 98.703 1.00 35.60 ? ? ? ? ? ? 1859 HOH K O 1 +HETATM 25976 O O . HOH EC 6 . ? 44.979 134.268 78.514 1.00 43.06 ? ? ? ? ? ? 1872 HOH K O 1 +HETATM 25977 O O . HOH EC 6 . ? 29.955 125.833 90.553 1.00 41.91 ? ? ? ? ? ? 1906 HOH K O 1 +HETATM 25978 O O . HOH EC 6 . ? 31.456 108.915 68.834 1.00 42.32 ? ? ? ? ? ? 1907 HOH K O 1 +HETATM 25979 O O . HOH EC 6 . ? 31.344 130.673 74.641 1.00 39.33 ? ? ? ? ? ? 1908 HOH K O 1 +HETATM 25980 O O . HOH EC 6 . ? 16.635 97.618 89.813 1.00 38.50 ? ? ? ? ? ? 1926 HOH K O 1 +HETATM 25981 O O . HOH EC 6 . ? 14.077 102.897 84.086 1.00 40.37 ? ? ? ? ? ? 1939 HOH K O 1 +HETATM 25982 O O . HOH EC 6 . ? 41.937 132.561 71.594 1.00 41.39 ? ? ? ? ? ? 1951 HOH K O 1 +HETATM 25983 O O . HOH EC 6 . ? 48.447 129.763 69.664 1.00 41.06 ? ? ? ? ? ? 1955 HOH K O 1 +HETATM 25984 O O . HOH EC 6 . ? 43.595 136.565 82.017 1.00 42.34 ? ? ? ? ? ? 1973 HOH K O 1 +HETATM 25985 O O . HOH EC 6 . ? 52.226 116.656 69.126 1.00 44.54 ? ? ? ? ? ? 2027 HOH K O 1 +HETATM 25986 O O . HOH EC 6 . ? 16.587 107.757 99.920 1.00 43.72 ? ? ? ? ? ? 2029 HOH K O 1 +HETATM 25987 O O . HOH EC 6 . ? 40.779 104.163 103.116 1.00 42.30 ? ? ? ? ? ? 2043 HOH K O 1 +HETATM 25988 O O . HOH EC 6 . ? 37.749 103.148 82.600 1.00 45.95 ? ? ? ? ? ? 2055 HOH K O 1 +HETATM 25989 O O . HOH EC 6 . ? 12.219 104.189 81.835 1.00 41.71 ? ? ? ? ? ? 2066 HOH K O 1 +HETATM 25990 O O . HOH EC 6 . ? 55.155 108.474 94.354 1.00 45.46 ? ? ? ? ? ? 2083 HOH K O 1 +HETATM 25991 O O . HOH EC 6 . ? 26.365 102.652 100.594 1.00 41.29 ? ? ? ? ? ? 2091 HOH K O 1 +HETATM 25992 O O . HOH EC 6 . ? 19.222 138.147 86.238 1.00 47.18 ? ? ? ? ? ? 2094 HOH K O 1 +HETATM 25993 O O . HOH EC 6 . ? 57.783 117.847 78.612 1.00 45.06 ? ? ? ? ? ? 2099 HOH K O 1 +HETATM 25994 O O . HOH EC 6 . ? 53.972 114.967 87.578 1.00 46.48 ? ? ? ? ? ? 2102 HOH K O 1 +HETATM 25995 O O . HOH EC 6 . ? 47.099 125.164 65.009 1.00 44.74 ? ? ? ? ? ? 2106 HOH K O 1 +HETATM 25996 O O . HOH EC 6 . ? 45.203 99.391 79.332 1.00 49.66 ? ? ? ? ? ? 2129 HOH K O 1 +HETATM 25997 O O . HOH EC 6 . ? 47.967 99.351 72.156 1.00 46.79 ? ? ? ? ? ? 2138 HOH K O 1 +HETATM 25998 O O . HOH EC 6 . ? 24.948 130.271 79.201 1.00 43.64 ? ? ? ? ? ? 2140 HOH K O 1 +HETATM 25999 O O . HOH EC 6 . ? 43.346 112.946 64.290 1.00 45.83 ? ? ? ? ? ? 2152 HOH K O 1 +HETATM 26000 O O . HOH EC 6 . ? 15.221 96.894 92.553 1.00 47.18 ? ? ? ? ? ? 2153 HOH K O 1 +HETATM 26001 O O . HOH EC 6 . ? 9.929 120.405 80.607 1.00 46.70 ? ? ? ? ? ? 2167 HOH K O 1 +HETATM 26002 O O . HOH EC 6 . ? 39.804 133.330 72.274 1.00 44.27 ? ? ? ? ? ? 2192 HOH K O 1 +HETATM 26003 O O . HOH EC 6 . ? 33.674 131.383 74.077 1.00 42.15 ? ? ? ? ? ? 2208 HOH K O 1 +HETATM 26004 O O . HOH EC 6 . ? 50.408 97.570 71.053 1.00 49.99 ? ? ? ? ? ? 2235 HOH K O 1 +HETATM 26005 O O . HOH EC 6 . ? 29.047 111.172 64.857 1.00 49.62 ? ? ? ? ? ? 2242 HOH K O 1 +HETATM 26006 O O . HOH EC 6 . ? 43.109 127.075 64.443 1.00 40.68 ? ? ? ? ? ? 2257 HOH K O 1 +HETATM 26007 O O . HOH FC 6 . ? 24.473 127.583 99.625 1.00 15.26 ? ? ? ? ? ? 257 HOH L O 1 +HETATM 26008 O O . HOH FC 6 . ? 24.437 121.105 100.492 1.00 17.92 ? ? ? ? ? ? 258 HOH L O 1 +HETATM 26009 O O . HOH FC 6 . ? 34.936 112.014 118.101 1.00 17.16 ? ? ? ? ? ? 259 HOH L O 1 +HETATM 26010 O O . HOH FC 6 . ? 29.569 144.429 115.512 1.00 19.44 ? ? ? ? ? ? 260 HOH L O 1 +HETATM 26011 O O . HOH FC 6 . ? 43.287 120.561 114.776 1.00 21.03 ? ? ? ? ? ? 261 HOH L O 1 +HETATM 26012 O O . HOH FC 6 . ? 30.763 117.737 115.120 1.00 21.11 ? ? ? ? ? ? 262 HOH L O 1 +HETATM 26013 O O . HOH FC 6 . ? 15.234 135.292 103.858 1.00 23.02 ? ? ? ? ? ? 263 HOH L O 1 +HETATM 26014 O O . HOH FC 6 . ? 38.821 110.540 110.578 1.00 19.90 ? ? ? ? ? ? 264 HOH L O 1 +HETATM 26015 O O . HOH FC 6 . ? 17.423 130.760 96.362 1.00 21.08 ? ? ? ? ? ? 265 HOH L O 1 +HETATM 26016 O O . HOH FC 6 . ? 34.573 109.326 112.987 1.00 21.37 ? ? ? ? ? ? 266 HOH L O 1 +HETATM 26017 O O . HOH FC 6 . ? 32.879 130.430 113.855 1.00 22.16 ? ? ? ? ? ? 267 HOH L O 1 +HETATM 26018 O O . HOH FC 6 . ? 17.197 139.434 107.957 1.00 19.85 ? ? ? ? ? ? 268 HOH L O 1 +HETATM 26019 O O . HOH FC 6 . ? 42.730 117.971 113.733 1.00 22.43 ? ? ? ? ? ? 285 HOH L O 1 +HETATM 26020 O O . HOH FC 6 . ? 33.177 113.743 117.770 1.00 23.99 ? ? ? ? ? ? 292 HOH L O 1 +HETATM 26021 O O . HOH FC 6 . ? 37.464 137.957 96.820 1.00 21.06 ? ? ? ? ? ? 297 HOH L O 1 +HETATM 26022 O O . HOH FC 6 . ? 40.920 115.114 119.286 1.00 21.63 ? ? ? ? ? ? 307 HOH L O 1 +HETATM 26023 O O . HOH FC 6 . ? 28.701 118.487 109.621 1.00 22.40 ? ? ? ? ? ? 309 HOH L O 1 +HETATM 26024 O O . HOH FC 6 . ? 31.723 109.746 110.142 1.00 24.03 ? ? ? ? ? ? 316 HOH L O 1 +HETATM 26025 O O . HOH FC 6 . ? 42.686 138.016 113.895 1.00 22.20 ? ? ? ? ? ? 321 HOH L O 1 +HETATM 26026 O O . HOH FC 6 . ? 21.028 113.306 100.713 1.00 21.28 ? ? ? ? ? ? 326 HOH L O 1 +HETATM 26027 O O . HOH FC 6 . ? 21.548 136.184 106.490 1.00 20.82 ? ? ? ? ? ? 329 HOH L O 1 +HETATM 26028 O O . HOH FC 6 . ? 44.753 116.792 112.149 1.00 23.85 ? ? ? ? ? ? 350 HOH L O 1 +HETATM 26029 O O . HOH FC 6 . ? 16.240 143.563 106.307 1.00 20.39 ? ? ? ? ? ? 355 HOH L O 1 +HETATM 26030 O O . HOH FC 6 . ? 28.383 108.226 103.881 1.00 23.30 ? ? ? ? ? ? 362 HOH L O 1 +HETATM 26031 O O . HOH FC 6 . ? 11.426 124.357 130.570 1.00 23.82 ? ? ? ? ? ? 377 HOH L O 1 +HETATM 26032 O O . HOH FC 6 . ? 17.899 136.935 92.112 1.00 27.20 ? ? ? ? ? ? 385 HOH L O 1 +HETATM 26033 O O . HOH FC 6 . ? 22.560 130.030 104.924 1.00 24.95 ? ? ? ? ? ? 453 HOH L O 1 +HETATM 26034 O O . HOH FC 6 . ? 32.896 107.690 108.847 1.00 24.76 ? ? ? ? ? ? 466 HOH L O 1 +HETATM 26035 O O . HOH FC 6 . ? 32.412 123.465 113.461 1.00 25.83 ? ? ? ? ? ? 482 HOH L O 1 +HETATM 26036 O O . HOH FC 6 . ? 33.914 148.296 108.131 1.00 21.96 ? ? ? ? ? ? 500 HOH L O 1 +HETATM 26037 O O . HOH FC 6 . ? 48.054 134.740 102.004 1.00 25.34 ? ? ? ? ? ? 505 HOH L O 1 +HETATM 26038 O O . HOH FC 6 . ? 32.322 141.507 116.512 1.00 24.92 ? ? ? ? ? ? 509 HOH L O 1 +HETATM 26039 O O . HOH FC 6 . ? 42.578 142.092 100.539 1.00 26.06 ? ? ? ? ? ? 523 HOH L O 1 +HETATM 26040 O O . HOH FC 6 . ? 24.233 129.147 107.182 1.00 23.87 ? ? ? ? ? ? 548 HOH L O 1 +HETATM 26041 O O . HOH FC 6 . ? 27.222 131.924 103.800 1.00 26.89 ? ? ? ? ? ? 556 HOH L O 1 +HETATM 26042 O O . HOH FC 6 . ? 20.840 133.847 91.597 1.00 25.55 ? ? ? ? ? ? 588 HOH L O 1 +HETATM 26043 O O . HOH FC 6 . ? 54.889 125.137 100.025 1.00 26.23 ? ? ? ? ? ? 621 HOH L O 1 +HETATM 26044 O O . HOH FC 6 . ? 39.899 144.359 105.206 1.00 27.51 ? ? ? ? ? ? 622 HOH L O 1 +HETATM 26045 O O . HOH FC 6 . ? 26.882 147.424 107.330 1.00 28.01 ? ? ? ? ? ? 623 HOH L O 1 +HETATM 26046 O O . HOH FC 6 . ? 22.987 148.325 97.161 1.00 28.48 ? ? ? ? ? ? 634 HOH L O 1 +HETATM 26047 O O . HOH FC 6 . ? 57.895 131.342 97.927 1.00 27.19 ? ? ? ? ? ? 635 HOH L O 1 +HETATM 26048 O O . HOH FC 6 . ? 31.167 107.756 104.136 1.00 28.04 ? ? ? ? ? ? 658 HOH L O 1 +HETATM 26049 O O . HOH FC 6 . ? 41.368 126.030 88.507 1.00 28.50 ? ? ? ? ? ? 670 HOH L O 1 +HETATM 26050 O O . HOH FC 6 . ? 42.678 110.652 105.673 1.00 25.74 ? ? ? ? ? ? 703 HOH L O 1 +HETATM 26051 O O . HOH FC 6 . ? 33.043 130.180 94.755 1.00 26.97 ? ? ? ? ? ? 723 HOH L O 1 +HETATM 26052 O O . HOH FC 6 . ? 26.171 146.936 93.617 1.00 28.42 ? ? ? ? ? ? 729 HOH L O 1 +HETATM 26053 O O . HOH FC 6 . ? 32.599 125.490 111.847 1.00 28.01 ? ? ? ? ? ? 740 HOH L O 1 +HETATM 26054 O O . HOH FC 6 . ? 40.583 109.006 114.937 1.00 31.50 ? ? ? ? ? ? 743 HOH L O 1 +HETATM 26055 O O . HOH FC 6 . ? 25.188 118.952 111.131 1.00 26.80 ? ? ? ? ? ? 750 HOH L O 1 +HETATM 26056 O O . HOH FC 6 . ? 49.010 131.908 84.456 1.00 29.65 ? ? ? ? ? ? 756 HOH L O 1 +HETATM 26057 O O . HOH FC 6 . ? 28.428 145.656 94.451 1.00 29.70 ? ? ? ? ? ? 767 HOH L O 1 +HETATM 26058 O O . HOH FC 6 . ? 31.213 137.672 110.549 1.00 29.83 ? ? ? ? ? ? 801 HOH L O 1 +HETATM 26059 O O . HOH FC 6 . ? 2.685 125.725 122.155 1.00 29.95 ? ? ? ? ? ? 803 HOH L O 1 +HETATM 26060 O O . HOH FC 6 . ? 35.481 107.594 105.526 1.00 30.86 ? ? ? ? ? ? 849 HOH L O 1 +HETATM 26061 O O . HOH FC 6 . ? 35.764 143.905 99.483 1.00 28.47 ? ? ? ? ? ? 858 HOH L O 1 +HETATM 26062 O O . HOH FC 6 . ? 26.025 116.910 109.793 1.00 29.55 ? ? ? ? ? ? 861 HOH L O 1 +HETATM 26063 O O . HOH FC 6 . ? 38.520 108.423 112.336 1.00 30.16 ? ? ? ? ? ? 884 HOH L O 1 +HETATM 26064 O O . HOH FC 6 . ? 35.769 107.442 111.756 1.00 36.44 ? ? ? ? ? ? 895 HOH L O 1 +HETATM 26065 O O . HOH FC 6 . ? 54.170 124.962 95.709 1.00 29.62 ? ? ? ? ? ? 898 HOH L O 1 +HETATM 26066 O O . HOH FC 6 . ? 22.495 143.232 93.138 1.00 31.02 ? ? ? ? ? ? 899 HOH L O 1 +HETATM 26067 O O . HOH FC 6 . ? 33.086 108.438 106.379 1.00 28.12 ? ? ? ? ? ? 909 HOH L O 1 +HETATM 26068 O O . HOH FC 6 . ? 39.150 128.582 95.251 1.00 30.88 ? ? ? ? ? ? 910 HOH L O 1 +HETATM 26069 O O . HOH FC 6 . ? 50.352 127.017 113.657 1.00 29.86 ? ? ? ? ? ? 945 HOH L O 1 +HETATM 26070 O O . HOH FC 6 . ? 31.061 128.466 94.124 1.00 30.17 ? ? ? ? ? ? 996 HOH L O 1 +HETATM 26071 O O . HOH FC 6 . ? 30.084 146.992 96.814 1.00 29.81 ? ? ? ? ? ? 1006 HOH L O 1 +HETATM 26072 O O . HOH FC 6 . ? 23.488 133.949 107.793 1.00 28.44 ? ? ? ? ? ? 1026 HOH L O 1 +HETATM 26073 O O . HOH FC 6 . ? 24.827 150.169 98.207 1.00 29.39 ? ? ? ? ? ? 1040 HOH L O 1 +HETATM 26074 O O . HOH FC 6 . ? 48.201 140.341 98.179 1.00 29.84 ? ? ? ? ? ? 1042 HOH L O 1 +HETATM 26075 O O . HOH FC 6 . ? 13.872 144.325 107.474 1.00 29.54 ? ? ? ? ? ? 1061 HOH L O 1 +HETATM 26076 O O . HOH FC 6 . ? 50.766 122.418 112.148 1.00 30.73 ? ? ? ? ? ? 1072 HOH L O 1 +HETATM 26077 O O . HOH FC 6 . ? 50.998 140.526 97.588 1.00 32.89 ? ? ? ? ? ? 1083 HOH L O 1 +HETATM 26078 O O . HOH FC 6 . ? 29.925 125.383 110.016 1.00 32.29 ? ? ? ? ? ? 1114 HOH L O 1 +HETATM 26079 O O . HOH FC 6 . ? 20.802 123.810 127.189 1.00 30.69 ? ? ? ? ? ? 1130 HOH L O 1 +HETATM 26080 O O . HOH FC 6 . ? 19.772 143.517 93.682 1.00 34.08 ? ? ? ? ? ? 1136 HOH L O 1 +HETATM 26081 O O . HOH FC 6 . ? 12.927 114.639 103.204 1.00 35.53 ? ? ? ? ? ? 1144 HOH L O 1 +HETATM 26082 O O . HOH FC 6 . ? 37.602 112.639 110.940 1.00 35.27 ? ? ? ? ? ? 1154 HOH L O 1 +HETATM 26083 O O . HOH FC 6 . ? 54.332 125.829 113.269 1.00 33.43 ? ? ? ? ? ? 1174 HOH L O 1 +HETATM 26084 O O . HOH FC 6 . ? 33.597 145.462 114.097 1.00 32.30 ? ? ? ? ? ? 1199 HOH L O 1 +HETATM 26085 O O . HOH FC 6 . ? 12.579 117.252 103.238 1.00 31.71 ? ? ? ? ? ? 1202 HOH L O 1 +HETATM 26086 O O . HOH FC 6 . ? 20.614 123.508 107.682 1.00 32.82 ? ? ? ? ? ? 1220 HOH L O 1 +HETATM 26087 O O . HOH FC 6 . ? 21.067 127.249 106.211 1.00 34.81 ? ? ? ? ? ? 1225 HOH L O 1 +HETATM 26088 O O . HOH FC 6 . ? 27.110 150.674 96.659 1.00 31.28 ? ? ? ? ? ? 1227 HOH L O 1 +HETATM 26089 O O . HOH FC 6 . ? 36.836 128.750 87.967 1.00 29.22 ? ? ? ? ? ? 1230 HOH L O 1 +HETATM 26090 O O . HOH FC 6 . ? 27.993 125.579 112.775 1.00 34.47 ? ? ? ? ? ? 1243 HOH L O 1 +HETATM 26091 O O . HOH FC 6 . ? 10.437 123.224 102.618 1.00 33.98 ? ? ? ? ? ? 1270 HOH L O 1 +HETATM 26092 O O . HOH FC 6 . ? 31.837 144.651 116.003 1.00 31.56 ? ? ? ? ? ? 1277 HOH L O 1 +HETATM 26093 O O . HOH FC 6 . ? 54.609 114.844 103.997 1.00 32.93 ? ? ? ? ? ? 1282 HOH L O 1 +HETATM 26094 O O . HOH FC 6 . ? 19.379 146.205 93.750 1.00 39.77 ? ? ? ? ? ? 1307 HOH L O 1 +HETATM 26095 O O . HOH FC 6 . ? 16.056 124.441 120.078 1.00 38.31 ? ? ? ? ? ? 1339 HOH L O 1 +HETATM 26096 O O . HOH FC 6 . ? 53.732 124.774 104.012 1.00 39.06 ? ? ? ? ? ? 1347 HOH L O 1 +HETATM 26097 O O . HOH FC 6 . ? 52.717 126.696 126.514 1.00 33.72 ? ? ? ? ? ? 1363 HOH L O 1 +HETATM 26098 O O . HOH FC 6 . ? 44.671 125.887 125.436 1.00 34.63 ? ? ? ? ? ? 1372 HOH L O 1 +HETATM 26099 O O . HOH FC 6 . ? 7.526 129.423 123.013 1.00 35.96 ? ? ? ? ? ? 1408 HOH L O 1 +HETATM 26100 O O . HOH FC 6 . ? 46.719 136.038 88.514 1.00 35.97 ? ? ? ? ? ? 1416 HOH L O 1 +HETATM 26101 O O . HOH FC 6 . ? 14.065 142.601 112.725 1.00 34.09 ? ? ? ? ? ? 1417 HOH L O 1 +HETATM 26102 O O . HOH FC 6 . ? 9.818 127.171 100.232 1.00 34.72 ? ? ? ? ? ? 1444 HOH L O 1 +HETATM 26103 O O . HOH FC 6 . ? 34.901 112.440 112.701 1.00 36.33 ? ? ? ? ? ? 1448 HOH L O 1 +HETATM 26104 O O . HOH FC 6 . ? 30.585 120.991 115.558 1.00 39.20 ? ? ? ? ? ? 1455 HOH L O 1 +HETATM 26105 O O . HOH FC 6 . ? 46.738 118.199 115.641 1.00 33.16 ? ? ? ? ? ? 1465 HOH L O 1 +HETATM 26106 O O . HOH FC 6 . ? 5.392 124.247 124.657 1.00 36.02 ? ? ? ? ? ? 1469 HOH L O 1 +HETATM 26107 O O . HOH FC 6 . ? 45.179 138.528 116.849 1.00 34.70 ? ? ? ? ? ? 1472 HOH L O 1 +HETATM 26108 O O . HOH FC 6 . ? 11.839 135.266 110.317 1.00 34.08 ? ? ? ? ? ? 1493 HOH L O 1 +HETATM 26109 O O . HOH FC 6 . ? 47.076 109.696 104.455 1.00 35.30 ? ? ? ? ? ? 1495 HOH L O 1 +HETATM 26110 O O . HOH FC 6 . ? 40.523 134.987 92.198 1.00 36.33 ? ? ? ? ? ? 1513 HOH L O 1 +HETATM 26111 O O . HOH FC 6 . ? 20.100 124.331 123.066 1.00 34.02 ? ? ? ? ? ? 1514 HOH L O 1 +HETATM 26112 O O . HOH FC 6 . ? 22.245 146.629 114.506 1.00 35.70 ? ? ? ? ? ? 1524 HOH L O 1 +HETATM 26113 O O . HOH FC 6 . ? 22.230 147.699 94.906 1.00 34.90 ? ? ? ? ? ? 1558 HOH L O 1 +HETATM 26114 O O . HOH FC 6 . ? 8.632 128.231 132.850 1.00 35.45 ? ? ? ? ? ? 1567 HOH L O 1 +HETATM 26115 O O . HOH FC 6 . ? 26.218 137.650 110.046 1.00 37.15 ? ? ? ? ? ? 1603 HOH L O 1 +HETATM 26116 O O . HOH FC 6 . ? 45.099 132.929 82.461 1.00 36.06 ? ? ? ? ? ? 1610 HOH L O 1 +HETATM 26117 O O . HOH FC 6 . ? 46.477 139.524 114.160 1.00 36.35 ? ? ? ? ? ? 1622 HOH L O 1 +HETATM 26118 O O . HOH FC 6 . ? 50.811 124.297 105.558 1.00 38.55 ? ? ? ? ? ? 1635 HOH L O 1 +HETATM 26119 O O . HOH FC 6 . ? 46.844 114.036 118.565 1.00 41.48 ? ? ? ? ? ? 1673 HOH L O 1 +HETATM 26120 O O . HOH FC 6 . ? 13.356 116.555 114.146 1.00 33.20 ? ? ? ? ? ? 1683 HOH L O 1 +HETATM 26121 O O . HOH FC 6 . ? 7.180 137.117 101.514 1.00 38.25 ? ? ? ? ? ? 1704 HOH L O 1 +HETATM 26122 O O . HOH FC 6 . ? 27.706 153.271 97.865 1.00 37.68 ? ? ? ? ? ? 1705 HOH L O 1 +HETATM 26123 O O . HOH FC 6 . ? 46.182 142.879 97.546 1.00 39.70 ? ? ? ? ? ? 1715 HOH L O 1 +HETATM 26124 O O . HOH FC 6 . ? 54.541 122.818 101.603 1.00 39.43 ? ? ? ? ? ? 1751 HOH L O 1 +HETATM 26125 O O . HOH FC 6 . ? 16.956 108.786 104.449 1.00 37.83 ? ? ? ? ? ? 1767 HOH L O 1 +HETATM 26126 O O . HOH FC 6 . ? 30.784 150.575 102.477 1.00 40.77 ? ? ? ? ? ? 1769 HOH L O 1 +HETATM 26127 O O . HOH FC 6 . ? 33.053 150.927 103.952 1.00 39.10 ? ? ? ? ? ? 1774 HOH L O 1 +HETATM 26128 O O . HOH FC 6 . ? 48.574 108.385 113.518 1.00 40.24 ? ? ? ? ? ? 1780 HOH L O 1 +HETATM 26129 O O . HOH FC 6 . ? 20.609 127.019 126.963 1.00 41.80 ? ? ? ? ? ? 1786 HOH L O 1 +HETATM 26130 O O . HOH FC 6 . ? 34.349 149.353 111.690 1.00 38.84 ? ? ? ? ? ? 1790 HOH L O 1 +HETATM 26131 O O . HOH FC 6 . ? 31.222 125.332 94.153 1.00 36.20 ? ? ? ? ? ? 1800 HOH L O 1 +HETATM 26132 O O . HOH FC 6 . ? 10.893 128.172 131.016 1.00 37.33 ? ? ? ? ? ? 1822 HOH L O 1 +HETATM 26133 O O . HOH FC 6 . ? 34.422 128.338 115.399 1.00 40.83 ? ? ? ? ? ? 1826 HOH L O 1 +HETATM 26134 O O . HOH FC 6 . ? 32.738 126.963 117.149 1.00 37.96 ? ? ? ? ? ? 1852 HOH L O 1 +HETATM 26135 O O . HOH FC 6 . ? 33.738 123.698 93.694 1.00 41.11 ? ? ? ? ? ? 1854 HOH L O 1 +HETATM 26136 O O . HOH FC 6 . ? 42.955 108.255 103.576 1.00 40.98 ? ? ? ? ? ? 1860 HOH L O 1 +HETATM 26137 O O . HOH FC 6 . ? 51.255 128.876 124.564 1.00 42.22 ? ? ? ? ? ? 1963 HOH L O 1 +HETATM 26138 O O . HOH FC 6 . ? 51.003 112.476 111.025 1.00 44.02 ? ? ? ? ? ? 1964 HOH L O 1 +HETATM 26139 O O . HOH FC 6 . ? 49.392 111.084 104.328 1.00 35.60 ? ? ? ? ? ? 1969 HOH L O 1 +HETATM 26140 O O . HOH FC 6 . ? 22.335 148.864 111.620 1.00 45.14 ? ? ? ? ? ? 2009 HOH L O 1 +HETATM 26141 O O . HOH FC 6 . ? 22.767 137.069 113.040 1.00 44.30 ? ? ? ? ? ? 2018 HOH L O 1 +HETATM 26142 O O . HOH FC 6 . ? 34.920 128.894 85.402 1.00 41.97 ? ? ? ? ? ? 2022 HOH L O 1 +HETATM 26143 O O . HOH FC 6 . ? 42.649 127.407 124.936 1.00 44.70 ? ? ? ? ? ? 2050 HOH L O 1 +HETATM 26144 O O . HOH FC 6 . ? 53.832 137.559 96.494 1.00 44.54 ? ? ? ? ? ? 2061 HOH L O 1 +HETATM 26145 O O . HOH FC 6 . ? 55.346 129.140 90.493 1.00 46.42 ? ? ? ? ? ? 2085 HOH L O 1 +HETATM 26146 O O . HOH FC 6 . ? 56.129 139.034 108.270 1.00 44.08 ? ? ? ? ? ? 2087 HOH L O 1 +HETATM 26147 O O . HOH FC 6 . ? 47.937 116.739 117.678 1.00 45.95 ? ? ? ? ? ? 2107 HOH L O 1 +HETATM 26148 O O . HOH FC 6 . ? 56.546 125.033 120.401 1.00 47.74 ? ? ? ? ? ? 2110 HOH L O 1 +HETATM 26149 O O . HOH FC 6 . ? 46.840 106.793 116.108 1.00 45.80 ? ? ? ? ? ? 2120 HOH L O 1 +HETATM 26150 O O . HOH FC 6 . ? 5.840 134.285 113.653 1.00 41.51 ? ? ? ? ? ? 2128 HOH L O 1 +HETATM 26151 O O . HOH FC 6 . ? 49.272 138.317 95.154 1.00 45.39 ? ? ? ? ? ? 2139 HOH L O 1 +HETATM 26152 O O . HOH FC 6 . ? 52.399 122.908 120.152 1.00 47.61 ? ? ? ? ? ? 2141 HOH L O 1 +HETATM 26153 O O . HOH FC 6 . ? 34.831 129.548 92.849 1.00 46.85 ? ? ? ? ? ? 2149 HOH L O 1 +HETATM 26154 O O . HOH FC 6 . ? 9.297 141.260 100.852 1.00 50.66 ? ? ? ? ? ? 2156 HOH L O 1 +HETATM 26155 O O . HOH FC 6 . ? 45.053 141.525 112.028 1.00 46.61 ? ? ? ? ? ? 2171 HOH L O 1 +HETATM 26156 O O . HOH FC 6 . ? 11.398 131.834 114.197 1.00 44.46 ? ? ? ? ? ? 2199 HOH L O 1 +HETATM 26157 O O . HOH FC 6 . ? 10.695 119.409 94.789 1.00 46.83 ? ? ? ? ? ? 2202 HOH L O 1 +HETATM 26158 O O . HOH FC 6 . ? 21.933 143.481 113.806 1.00 49.59 ? ? ? ? ? ? 2210 HOH L O 1 +HETATM 26159 O O . HOH FC 6 . ? 32.515 143.532 94.250 1.00 49.11 ? ? ? ? ? ? 2217 HOH L O 1 +HETATM 26160 O O . HOH FC 6 . ? 48.971 137.834 92.183 1.00 48.19 ? ? ? ? ? ? 2241 HOH L O 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 0 ? ? ? A . n +A 1 2 MSE 2 1 1 MSE MSE A . n +A 1 3 ASN 3 2 2 ASN ASN A . n +A 1 4 LYS 4 3 3 LYS LYS A . n +A 1 5 GLU 5 4 4 GLU GLU A . n +A 1 6 VAL 6 5 5 VAL VAL A . n +A 1 7 ASP 7 6 6 ASP ASP A . n +A 1 8 LEU 8 7 7 LEU LEU A . n +A 1 9 SER 9 8 8 SER SER A . n +A 1 10 VAL 10 9 9 VAL VAL A . n +A 1 11 SER 11 10 10 SER SER A . n +A 1 12 CYS 12 11 11 CYS CYS A . n +A 1 13 LEU 13 12 12 LEU LEU A . n +A 1 14 GLY 14 13 13 GLY GLY A . n +A 1 15 LYS 15 14 14 LYS LYS A . n +A 1 16 VAL 16 15 15 VAL VAL A . n +A 1 17 LYS 17 16 16 LYS LYS A . n +A 1 18 GLU 18 17 17 GLU GLU A . n +A 1 19 LEU 19 18 18 LEU LEU A . n +A 1 20 LYS 20 19 19 LYS LYS A . n +A 1 21 TYR 21 20 20 TYR TYR A . n +A 1 22 ASP 22 21 21 ASP ASP A . n +A 1 23 VAL 23 22 22 VAL VAL A . n +A 1 24 ILE 24 23 23 ILE ILE A . n +A 1 25 ILE 25 24 24 ILE ILE A . n +A 1 26 LEU 26 25 25 LEU LEU A . n +A 1 27 PRO 27 26 26 PRO PRO A . n +A 1 28 TRP 28 27 27 TRP TRP A . n +A 1 29 GLY 29 28 28 GLY GLY A . n +A 1 30 ALA 30 29 29 ALA ALA A . n +A 1 31 THR 31 30 30 THR THR A . n +A 1 32 GLU 32 31 31 GLU GLU A . n +A 1 33 PRO 33 32 32 PRO PRO A . n +A 1 34 HIS 34 33 33 HIS HIS A . n +A 1 35 ASN 35 34 34 ASN ASN A . n +A 1 36 LEU 36 35 35 LEU LEU A . n +A 1 37 HIS 37 36 36 HIS HIS A . n +A 1 38 LEU 38 37 37 LEU LEU A . n +A 1 39 PRO 39 38 38 PRO PRO A . n +A 1 40 TYR 40 39 39 TYR TYR A . n +A 1 41 LEU 41 40 40 LEU LEU A . n +A 1 42 THR 42 41 41 THR THR A . n +A 1 43 ASP 43 42 42 ASP ASP A . n +A 1 44 CYS 44 43 43 CYS CYS A . n +A 1 45 ILE 45 44 44 ILE ILE A . n +A 1 46 LEU 46 45 45 LEU LEU A . n +A 1 47 PRO 47 46 46 PRO PRO A . n +A 1 48 HIS 48 47 47 HIS HIS A . n +A 1 49 ASP 49 48 48 ASP ASP A . n +A 1 50 ILE 50 49 49 ILE ILE A . n +A 1 51 ALA 51 50 50 ALA ALA A . n +A 1 52 VAL 52 51 51 VAL VAL A . n +A 1 53 GLU 53 52 52 GLU GLU A . n +A 1 54 ALA 54 53 53 ALA ALA A . n +A 1 55 ALA 55 54 54 ALA ALA A . n +A 1 56 GLU 56 55 55 GLU GLU A . n +A 1 57 LEU 57 56 56 LEU LEU A . n +A 1 58 ALA 58 57 57 ALA ALA A . n +A 1 59 LEU 59 58 58 LEU LEU A . n +A 1 60 SER 60 59 59 SER SER A . n +A 1 61 ARG 61 60 60 ARG ARG A . n +A 1 62 SER 62 61 61 SER SER A . n +A 1 63 GLY 63 62 62 GLY GLY A . n +A 1 64 VAL 64 63 63 VAL VAL A . n +A 1 65 ARG 65 64 64 ARG ARG A . n +A 1 66 CYS 66 65 65 CYS CYS A . n +A 1 67 MSE 67 66 66 MSE MSE A . n +A 1 68 VAL 68 67 67 VAL VAL A . n +A 1 69 MSE 69 68 68 MSE MSE A . n +A 1 70 PRO 70 69 69 PRO PRO A . n +A 1 71 PRO 71 70 70 PRO PRO A . n +A 1 72 VAL 72 71 71 VAL VAL A . n +A 1 73 PRO 73 72 72 PRO PRO A . n +A 1 74 PHE 74 73 73 PHE PHE A . n +A 1 75 GLY 75 74 74 GLY GLY A . n +A 1 76 ALA 76 75 75 ALA ALA A . n +A 1 77 HIS 77 76 76 HIS HIS A . n +A 1 78 ASN 78 77 77 ASN ASN A . n +A 1 79 PRO 79 78 78 PRO PRO A . n +A 1 80 GLY 80 79 79 GLY GLY A . n +A 1 81 GLN 81 80 80 GLN GLN A . n +A 1 82 ARG 82 81 81 ARG ARG A . n +A 1 83 GLU 83 82 82 GLU GLU A . n +A 1 84 LEU 84 83 83 LEU LEU A . n +A 1 85 PRO 85 84 84 PRO PRO A . n +A 1 86 PHE 86 85 85 PHE PHE A . n +A 1 87 CYS 87 86 86 CYS CYS A . n +A 1 88 ILE 88 87 87 ILE ILE A . n +A 1 89 HIS 89 88 88 HIS HIS A . n +A 1 90 THR 90 89 89 THR THR A . n +A 1 91 ARG 91 90 90 ARG ARG A . n +A 1 92 TYR 92 91 91 TYR TYR A . n +A 1 93 ALA 93 92 92 ALA ALA A . n +A 1 94 THR 94 93 93 THR THR A . n +A 1 95 GLN 95 94 94 GLN GLN A . n +A 1 96 GLN 96 95 95 GLN GLN A . n +A 1 97 ALA 97 96 96 ALA ALA A . n +A 1 98 ILE 98 97 97 ILE ILE A . n +A 1 99 LEU 99 98 98 LEU LEU A . n +A 1 100 GLU 100 99 99 GLU GLU A . n +A 1 101 ASP 101 100 100 ASP ASP A . n +A 1 102 ILE 102 101 101 ILE ILE A . n +A 1 103 VAL 103 102 102 VAL VAL A . n +A 1 104 SER 104 103 103 SER SER A . n +A 1 105 SER 105 104 104 SER SER A . n +A 1 106 LEU 106 105 105 LEU LEU A . n +A 1 107 HIS 107 106 106 HIS HIS A . n +A 1 108 VAL 108 107 107 VAL VAL A . n +A 1 109 GLN 109 108 108 GLN GLN A . n +A 1 110 GLY 110 109 109 GLY GLY A . n +A 1 111 PHE 111 110 110 PHE PHE A . n +A 1 112 ARG 112 111 111 ARG ARG A . n +A 1 113 LYS 113 112 112 LYS LYS A . n +A 1 114 LEU 114 113 113 LEU LEU A . n +A 1 115 LEU 115 114 114 LEU LEU A . n +A 1 116 ILE 116 115 115 ILE ILE A . n +A 1 117 LEU 117 116 116 LEU LEU A . n +A 1 118 SER 118 117 117 SER SER A . n +A 1 119 GLY 119 118 118 GLY GLY A . n +A 1 120 HIS 120 119 119 HIS HIS A . n +A 1 121 GLY 121 120 120 GLY GLY A . n +A 1 122 GLY 122 121 121 GLY GLY A . n +A 1 123 ASN 123 122 122 ASN ASN A . n +A 1 124 ASN 124 123 123 ASN ASN A . n +A 1 125 PHE 125 124 124 PHE PHE A . n +A 1 126 LYS 126 125 125 LYS LYS A . n +A 1 127 GLY 127 126 126 GLY GLY A . n +A 1 128 MSE 128 127 127 MSE MSE A . n +A 1 129 ILE 129 128 128 ILE ILE A . n +A 1 130 ARG 130 129 129 ARG ARG A . n +A 1 131 ASP 131 130 130 ASP ASP A . n +A 1 132 LEU 132 131 131 LEU LEU A . n +A 1 133 ALA 133 132 132 ALA ALA A . n +A 1 134 PHE 134 133 133 PHE PHE A . n +A 1 135 GLU 135 134 134 GLU GLU A . n +A 1 136 TYR 136 135 135 TYR TYR A . n +A 1 137 PRO 137 136 136 PRO PRO A . n +A 1 138 ASP 138 137 137 ASP ASP A . n +A 1 139 PHE 139 138 138 PHE PHE A . n +A 1 140 LEU 140 139 139 LEU LEU A . n +A 1 141 ILE 141 140 140 ILE ILE A . n +A 1 142 ALA 142 141 141 ALA ALA A . n +A 1 143 ALA 143 142 142 ALA ALA A . n +A 1 144 ALA 144 143 143 ALA ALA A . n +A 1 145 ASN 145 144 144 ASN ASN A . n +A 1 146 TRP 146 145 145 TRP TRP A . n +A 1 147 PHE 147 146 146 PHE PHE A . n +A 1 148 GLU 148 147 147 GLU GLU A . n +A 1 149 VAL 149 148 148 VAL VAL A . n +A 1 150 VAL 150 149 149 VAL VAL A . n +A 1 151 SER 151 150 150 SER SER A . n +A 1 152 PRO 152 151 151 PRO PRO A . n +A 1 153 LYS 153 152 152 LYS LYS A . n +A 1 154 GLY 154 153 153 GLY GLY A . n +A 1 155 TYR 155 154 154 TYR TYR A . n +A 1 156 PHE 156 155 155 PHE PHE A . n +A 1 157 GLU 157 156 156 GLU GLU A . n +A 1 158 ALA 158 157 157 ALA ALA A . n +A 1 159 GLU 159 158 158 GLU GLU A . n +A 1 160 ILE 160 159 159 ILE ILE A . n +A 1 161 ASP 161 160 160 ASP ASP A . n +A 1 162 ASP 162 161 161 ASP ASP A . n +A 1 163 HIS 163 162 162 HIS HIS A . n +A 1 164 ALA 164 163 163 ALA ALA A . n +A 1 165 GLY 165 164 164 GLY GLY A . n +A 1 166 GLU 166 165 165 GLU GLU A . n +A 1 167 SER 167 166 166 SER SER A . n +A 1 168 GLU 168 167 167 GLU GLU A . n +A 1 169 THR 169 168 168 THR THR A . n +A 1 170 SER 170 169 169 SER SER A . n +A 1 171 VAL 171 170 170 VAL VAL A . n +A 1 172 MSE 172 171 171 MSE MSE A . n +A 1 173 MSE 173 172 172 MSE MSE A . n +A 1 174 HIS 174 173 173 HIS HIS A . n +A 1 175 TYR 175 174 174 TYR TYR A . n +A 1 176 HIS 176 175 175 HIS HIS A . n +A 1 177 PRO 177 176 176 PRO PRO A . n +A 1 178 GLU 178 177 177 GLU GLU A . n +A 1 179 LEU 179 178 178 LEU LEU A . n +A 1 180 VAL 180 179 179 VAL VAL A . n +A 1 181 ASN 181 180 180 ASN ASN A . n +A 1 182 LEU 182 181 181 LEU LEU A . n +A 1 183 ALA 183 182 182 ALA ALA A . n +A 1 184 GLU 184 183 183 GLU GLU A . n +A 1 185 ALA 185 184 184 ALA ALA A . n +A 1 186 GLY 186 185 185 GLY GLY A . n +A 1 187 ASP 187 186 186 ASP ASP A . n +A 1 188 GLY 188 187 187 GLY GLY A . n +A 1 189 GLU 189 188 188 GLU GLU A . n +A 1 190 SER 190 189 189 SER SER A . n +A 1 191 LYS 191 190 190 LYS LYS A . n +A 1 192 PRO 192 191 191 PRO PRO A . n +A 1 193 PHE 193 192 192 PHE PHE A . n +A 1 194 ALA 194 193 193 ALA ALA A . n +A 1 195 ILE 195 194 194 ILE ILE A . n +A 1 196 ALA 196 195 195 ALA ALA A . n +A 1 197 SER 197 196 196 SER SER A . n +A 1 198 LEU 198 197 197 LEU LEU A . n +A 1 199 ASN 199 198 198 ASN ASN A . n +A 1 200 GLU 200 199 199 GLU GLU A . n +A 1 201 LYS 201 200 200 LYS LYS A . n +A 1 202 VAL 202 201 201 VAL VAL A . n +A 1 203 ALA 203 202 202 ALA ALA A . n +A 1 204 TRP 204 203 203 TRP TRP A . n +A 1 205 VAL 205 204 204 VAL VAL A . n +A 1 206 PRO 206 205 205 PRO PRO A . n +A 1 207 ARG 207 206 206 ARG ARG A . n +A 1 208 HIS 208 207 207 HIS HIS A . n +A 1 209 TRP 209 208 208 TRP TRP A . n +A 1 210 ASP 210 209 209 ASP ASP A . n +A 1 211 LYS 211 210 210 LYS LYS A . n +A 1 212 ALA 212 211 211 ALA ALA A . n +A 1 213 THR 213 212 212 THR THR A . n +A 1 214 VAL 214 213 213 VAL VAL A . n +A 1 215 ASP 215 214 214 ASP ASP A . n +A 1 216 SER 216 215 215 SER SER A . n +A 1 217 GLY 217 216 216 GLY GLY A . n +A 1 218 VAL 218 217 217 VAL VAL A . n +A 1 219 GLY 219 218 218 GLY GLY A . n +A 1 220 ASN 220 219 219 ASN ASN A . n +A 1 221 PRO 221 220 220 PRO PRO A . n +A 1 222 LYS 222 221 221 LYS LYS A . n +A 1 223 LYS 223 222 222 LYS LYS A . n +A 1 224 ALA 224 223 223 ALA ALA A . n +A 1 225 THR 225 224 224 THR THR A . n +A 1 226 ALA 226 225 225 ALA ALA A . n +A 1 227 GLU 227 226 226 GLU GLU A . n +A 1 228 LYS 228 227 227 LYS LYS A . n +A 1 229 GLY 229 228 228 GLY GLY A . n +A 1 230 GLU 230 229 229 GLU GLU A . n +A 1 231 ARG 231 230 230 ARG ARG A . n +A 1 232 TYR 232 231 231 TYR TYR A . n +A 1 233 VAL 233 232 232 VAL VAL A . n +A 1 234 LYS 234 233 233 LYS LYS A . n +A 1 235 PRO 235 234 234 PRO PRO A . n +A 1 236 ILE 236 235 235 ILE ILE A . n +A 1 237 VAL 237 236 236 VAL VAL A . n +A 1 238 GLU 238 237 237 GLU GLU A . n +A 1 239 LYS 239 238 238 LYS LYS A . n +A 1 240 LEU 240 239 239 LEU LEU A . n +A 1 241 ALA 241 240 240 ALA ALA A . n +A 1 242 GLY 242 241 241 GLY GLY A . n +A 1 243 LEU 243 242 242 LEU LEU A . n +A 1 244 PHE 244 243 243 PHE PHE A . n +A 1 245 GLU 245 244 244 GLU GLU A . n +A 1 246 GLU 246 245 245 GLU GLU A . n +A 1 247 MSE 247 246 246 MSE MSE A . n +A 1 248 ALA 248 247 247 ALA ALA A . n +A 1 249 GLN 249 248 248 GLN GLN A . n +A 1 250 HIS 250 249 249 HIS HIS A . n +A 1 251 ASP 251 250 250 ASP ASP A . n +A 1 252 LEU 252 251 251 LEU LEU A . n +A 1 253 TYR 253 252 252 TYR TYR A . n +A 1 254 GLU 254 253 253 GLU GLU A . n +B 1 1 GLY 1 0 ? ? ? B . n +B 1 2 MSE 2 1 1 MSE MSE B . n +B 1 3 ASN 3 2 2 ASN ASN B . n +B 1 4 LYS 4 3 3 LYS LYS B . n +B 1 5 GLU 5 4 4 GLU GLU B . n +B 1 6 VAL 6 5 5 VAL VAL B . n +B 1 7 ASP 7 6 6 ASP ASP B . n +B 1 8 LEU 8 7 7 LEU LEU B . n +B 1 9 SER 9 8 8 SER SER B . n +B 1 10 VAL 10 9 9 VAL VAL B . n +B 1 11 SER 11 10 10 SER SER B . n +B 1 12 CYS 12 11 11 CYS CYS B . n +B 1 13 LEU 13 12 12 LEU LEU B . n +B 1 14 GLY 14 13 13 GLY GLY B . n +B 1 15 LYS 15 14 14 LYS LYS B . n +B 1 16 VAL 16 15 15 VAL VAL B . n +B 1 17 LYS 17 16 16 LYS LYS B . n +B 1 18 GLU 18 17 17 GLU GLU B . n +B 1 19 LEU 19 18 18 LEU LEU B . n +B 1 20 LYS 20 19 19 LYS LYS B . n +B 1 21 TYR 21 20 20 TYR TYR B . n +B 1 22 ASP 22 21 21 ASP ASP B . n +B 1 23 VAL 23 22 22 VAL VAL B . n +B 1 24 ILE 24 23 23 ILE ILE B . n +B 1 25 ILE 25 24 24 ILE ILE B . n +B 1 26 LEU 26 25 25 LEU LEU B . n +B 1 27 PRO 27 26 26 PRO PRO B . n +B 1 28 TRP 28 27 27 TRP TRP B . n +B 1 29 GLY 29 28 28 GLY GLY B . n +B 1 30 ALA 30 29 29 ALA ALA B . n +B 1 31 THR 31 30 30 THR THR B . n +B 1 32 GLU 32 31 31 GLU GLU B . n +B 1 33 PRO 33 32 32 PRO PRO B . n +B 1 34 HIS 34 33 33 HIS HIS B . n +B 1 35 ASN 35 34 34 ASN ASN B . n +B 1 36 LEU 36 35 35 LEU LEU B . n +B 1 37 HIS 37 36 36 HIS HIS B . n +B 1 38 LEU 38 37 37 LEU LEU B . n +B 1 39 PRO 39 38 38 PRO PRO B . n +B 1 40 TYR 40 39 39 TYR TYR B . n +B 1 41 LEU 41 40 40 LEU LEU B . n +B 1 42 THR 42 41 41 THR THR B . n +B 1 43 ASP 43 42 42 ASP ASP B . n +B 1 44 CYS 44 43 43 CYS CYS B . n +B 1 45 ILE 45 44 44 ILE ILE B . n +B 1 46 LEU 46 45 45 LEU LEU B . n +B 1 47 PRO 47 46 46 PRO PRO B . n +B 1 48 HIS 48 47 47 HIS HIS B . n +B 1 49 ASP 49 48 48 ASP ASP B . n +B 1 50 ILE 50 49 49 ILE ILE B . n +B 1 51 ALA 51 50 50 ALA ALA B . n +B 1 52 VAL 52 51 51 VAL VAL B . n +B 1 53 GLU 53 52 52 GLU GLU B . n +B 1 54 ALA 54 53 53 ALA ALA B . n +B 1 55 ALA 55 54 54 ALA ALA B . n +B 1 56 GLU 56 55 55 GLU GLU B . n +B 1 57 LEU 57 56 56 LEU LEU B . n +B 1 58 ALA 58 57 57 ALA ALA B . n +B 1 59 LEU 59 58 58 LEU LEU B . n +B 1 60 SER 60 59 59 SER SER B . n +B 1 61 ARG 61 60 60 ARG ARG B . n +B 1 62 SER 62 61 61 SER SER B . n +B 1 63 GLY 63 62 62 GLY GLY B . n +B 1 64 VAL 64 63 63 VAL VAL B . n +B 1 65 ARG 65 64 64 ARG ARG B . n +B 1 66 CYS 66 65 65 CYS CYS B . n +B 1 67 MSE 67 66 66 MSE MSE B . n +B 1 68 VAL 68 67 67 VAL VAL B . n +B 1 69 MSE 69 68 68 MSE MSE B . n +B 1 70 PRO 70 69 69 PRO PRO B . n +B 1 71 PRO 71 70 70 PRO PRO B . n +B 1 72 VAL 72 71 71 VAL VAL B . n +B 1 73 PRO 73 72 72 PRO PRO B . n +B 1 74 PHE 74 73 73 PHE PHE B . n +B 1 75 GLY 75 74 74 GLY GLY B . n +B 1 76 ALA 76 75 75 ALA ALA B . n +B 1 77 HIS 77 76 76 HIS HIS B . n +B 1 78 ASN 78 77 77 ASN ASN B . n +B 1 79 PRO 79 78 78 PRO PRO B . n +B 1 80 GLY 80 79 79 GLY GLY B . n +B 1 81 GLN 81 80 80 GLN GLN B . n +B 1 82 ARG 82 81 81 ARG ARG B . n +B 1 83 GLU 83 82 82 GLU GLU B . n +B 1 84 LEU 84 83 83 LEU LEU B . n +B 1 85 PRO 85 84 84 PRO PRO B . n +B 1 86 PHE 86 85 85 PHE PHE B . n +B 1 87 CYS 87 86 86 CYS CYS B . n +B 1 88 ILE 88 87 87 ILE ILE B . n +B 1 89 HIS 89 88 88 HIS HIS B . n +B 1 90 THR 90 89 89 THR THR B . n +B 1 91 ARG 91 90 90 ARG ARG B . n +B 1 92 TYR 92 91 91 TYR TYR B . n +B 1 93 ALA 93 92 92 ALA ALA B . n +B 1 94 THR 94 93 93 THR THR B . n +B 1 95 GLN 95 94 94 GLN GLN B . n +B 1 96 GLN 96 95 95 GLN GLN B . n +B 1 97 ALA 97 96 96 ALA ALA B . n +B 1 98 ILE 98 97 97 ILE ILE B . n +B 1 99 LEU 99 98 98 LEU LEU B . n +B 1 100 GLU 100 99 99 GLU GLU B . n +B 1 101 ASP 101 100 100 ASP ASP B . n +B 1 102 ILE 102 101 101 ILE ILE B . n +B 1 103 VAL 103 102 102 VAL VAL B . n +B 1 104 SER 104 103 103 SER SER B . n +B 1 105 SER 105 104 104 SER SER B . n +B 1 106 LEU 106 105 105 LEU LEU B . n +B 1 107 HIS 107 106 106 HIS HIS B . n +B 1 108 VAL 108 107 107 VAL VAL B . n +B 1 109 GLN 109 108 108 GLN GLN B . n +B 1 110 GLY 110 109 109 GLY GLY B . n +B 1 111 PHE 111 110 110 PHE PHE B . n +B 1 112 ARG 112 111 111 ARG ARG B . n +B 1 113 LYS 113 112 112 LYS LYS B . n +B 1 114 LEU 114 113 113 LEU LEU B . n +B 1 115 LEU 115 114 114 LEU LEU B . n +B 1 116 ILE 116 115 115 ILE ILE B . n +B 1 117 LEU 117 116 116 LEU LEU B . n +B 1 118 SER 118 117 117 SER SER B . n +B 1 119 GLY 119 118 118 GLY GLY B . n +B 1 120 HIS 120 119 119 HIS HIS B . n +B 1 121 GLY 121 120 120 GLY GLY B . n +B 1 122 GLY 122 121 121 GLY GLY B . n +B 1 123 ASN 123 122 122 ASN ASN B . n +B 1 124 ASN 124 123 123 ASN ASN B . n +B 1 125 PHE 125 124 124 PHE PHE B . n +B 1 126 LYS 126 125 125 LYS LYS B . n +B 1 127 GLY 127 126 126 GLY GLY B . n +B 1 128 MSE 128 127 127 MSE MSE B . n +B 1 129 ILE 129 128 128 ILE ILE B . n +B 1 130 ARG 130 129 129 ARG ARG B . n +B 1 131 ASP 131 130 130 ASP ASP B . n +B 1 132 LEU 132 131 131 LEU LEU B . n +B 1 133 ALA 133 132 132 ALA ALA B . n +B 1 134 PHE 134 133 133 PHE PHE B . n +B 1 135 GLU 135 134 134 GLU GLU B . n +B 1 136 TYR 136 135 135 TYR TYR B . n +B 1 137 PRO 137 136 136 PRO PRO B . n +B 1 138 ASP 138 137 137 ASP ASP B . n +B 1 139 PHE 139 138 138 PHE PHE B . n +B 1 140 LEU 140 139 139 LEU LEU B . n +B 1 141 ILE 141 140 140 ILE ILE B . n +B 1 142 ALA 142 141 141 ALA ALA B . n +B 1 143 ALA 143 142 142 ALA ALA B . n +B 1 144 ALA 144 143 143 ALA ALA B . n +B 1 145 ASN 145 144 144 ASN ASN B . n +B 1 146 TRP 146 145 145 TRP TRP B . n +B 1 147 PHE 147 146 146 PHE PHE B . n +B 1 148 GLU 148 147 147 GLU GLU B . n +B 1 149 VAL 149 148 148 VAL VAL B . n +B 1 150 VAL 150 149 149 VAL VAL B . n +B 1 151 SER 151 150 150 SER SER B . n +B 1 152 PRO 152 151 151 PRO PRO B . n +B 1 153 LYS 153 152 152 LYS LYS B . n +B 1 154 GLY 154 153 153 GLY GLY B . n +B 1 155 TYR 155 154 154 TYR TYR B . n +B 1 156 PHE 156 155 155 PHE PHE B . n +B 1 157 GLU 157 156 156 GLU GLU B . n +B 1 158 ALA 158 157 157 ALA ALA B . n +B 1 159 GLU 159 158 158 GLU GLU B . n +B 1 160 ILE 160 159 159 ILE ILE B . n +B 1 161 ASP 161 160 160 ASP ASP B . n +B 1 162 ASP 162 161 161 ASP ASP B . n +B 1 163 HIS 163 162 162 HIS HIS B . n +B 1 164 ALA 164 163 163 ALA ALA B . n +B 1 165 GLY 165 164 164 GLY GLY B . n +B 1 166 GLU 166 165 165 GLU GLU B . n +B 1 167 SER 167 166 166 SER SER B . n +B 1 168 GLU 168 167 167 GLU GLU B . n +B 1 169 THR 169 168 168 THR THR B . n +B 1 170 SER 170 169 169 SER SER B . n +B 1 171 VAL 171 170 170 VAL VAL B . n +B 1 172 MSE 172 171 171 MSE MSE B . n +B 1 173 MSE 173 172 172 MSE MSE B . n +B 1 174 HIS 174 173 173 HIS HIS B . n +B 1 175 TYR 175 174 174 TYR TYR B . n +B 1 176 HIS 176 175 175 HIS HIS B . n +B 1 177 PRO 177 176 176 PRO PRO B . n +B 1 178 GLU 178 177 177 GLU GLU B . n +B 1 179 LEU 179 178 178 LEU LEU B . n +B 1 180 VAL 180 179 179 VAL VAL B . n +B 1 181 ASN 181 180 180 ASN ASN B . n +B 1 182 LEU 182 181 181 LEU LEU B . n +B 1 183 ALA 183 182 182 ALA ALA B . n +B 1 184 GLU 184 183 183 GLU GLU B . n +B 1 185 ALA 185 184 184 ALA ALA B . n +B 1 186 GLY 186 185 185 GLY GLY B . n +B 1 187 ASP 187 186 186 ASP ASP B . n +B 1 188 GLY 188 187 187 GLY GLY B . n +B 1 189 GLU 189 188 188 GLU GLU B . n +B 1 190 SER 190 189 189 SER SER B . n +B 1 191 LYS 191 190 190 LYS LYS B . n +B 1 192 PRO 192 191 191 PRO PRO B . n +B 1 193 PHE 193 192 192 PHE PHE B . n +B 1 194 ALA 194 193 193 ALA ALA B . n +B 1 195 ILE 195 194 194 ILE ILE B . n +B 1 196 ALA 196 195 195 ALA ALA B . n +B 1 197 SER 197 196 196 SER SER B . n +B 1 198 LEU 198 197 197 LEU LEU B . n +B 1 199 ASN 199 198 198 ASN ASN B . n +B 1 200 GLU 200 199 199 GLU GLU B . n +B 1 201 LYS 201 200 200 LYS LYS B . n +B 1 202 VAL 202 201 201 VAL VAL B . n +B 1 203 ALA 203 202 202 ALA ALA B . n +B 1 204 TRP 204 203 203 TRP TRP B . n +B 1 205 VAL 205 204 204 VAL VAL B . n +B 1 206 PRO 206 205 205 PRO PRO B . n +B 1 207 ARG 207 206 206 ARG ARG B . n +B 1 208 HIS 208 207 207 HIS HIS B . n +B 1 209 TRP 209 208 208 TRP TRP B . n +B 1 210 ASP 210 209 209 ASP ASP B . n +B 1 211 LYS 211 210 210 LYS LYS B . n +B 1 212 ALA 212 211 211 ALA ALA B . n +B 1 213 THR 213 212 212 THR THR B . n +B 1 214 VAL 214 213 213 VAL VAL B . n +B 1 215 ASP 215 214 214 ASP ASP B . n +B 1 216 SER 216 215 215 SER SER B . n +B 1 217 GLY 217 216 216 GLY GLY B . n +B 1 218 VAL 218 217 217 VAL VAL B . n +B 1 219 GLY 219 218 218 GLY GLY B . n +B 1 220 ASN 220 219 219 ASN ASN B . n +B 1 221 PRO 221 220 220 PRO PRO B . n +B 1 222 LYS 222 221 221 LYS LYS B . n +B 1 223 LYS 223 222 222 LYS LYS B . n +B 1 224 ALA 224 223 223 ALA ALA B . n +B 1 225 THR 225 224 224 THR THR B . n +B 1 226 ALA 226 225 225 ALA ALA B . n +B 1 227 GLU 227 226 226 GLU GLU B . n +B 1 228 LYS 228 227 227 LYS LYS B . n +B 1 229 GLY 229 228 228 GLY GLY B . n +B 1 230 GLU 230 229 229 GLU GLU B . n +B 1 231 ARG 231 230 230 ARG ARG B . n +B 1 232 TYR 232 231 231 TYR TYR B . n +B 1 233 VAL 233 232 232 VAL VAL B . n +B 1 234 LYS 234 233 233 LYS LYS B . n +B 1 235 PRO 235 234 234 PRO PRO B . n +B 1 236 ILE 236 235 235 ILE ILE B . n +B 1 237 VAL 237 236 236 VAL VAL B . n +B 1 238 GLU 238 237 237 GLU GLU B . n +B 1 239 LYS 239 238 238 LYS LYS B . n +B 1 240 LEU 240 239 239 LEU LEU B . n +B 1 241 ALA 241 240 240 ALA ALA B . n +B 1 242 GLY 242 241 241 GLY GLY B . n +B 1 243 LEU 243 242 242 LEU LEU B . n +B 1 244 PHE 244 243 243 PHE PHE B . n +B 1 245 GLU 245 244 244 GLU GLU B . n +B 1 246 GLU 246 245 245 GLU GLU B . n +B 1 247 MSE 247 246 246 MSE MSE B . n +B 1 248 ALA 248 247 247 ALA ALA B . n +B 1 249 GLN 249 248 248 GLN GLN B . n +B 1 250 HIS 250 249 249 HIS HIS B . n +B 1 251 ASP 251 250 250 ASP ASP B . n +B 1 252 LEU 252 251 251 LEU LEU B . n +B 1 253 TYR 253 252 252 TYR TYR B . n +B 1 254 GLU 254 253 253 GLU GLU B . n +C 1 1 GLY 1 0 ? ? ? C . n +C 1 2 MSE 2 1 1 MSE MSE C . n +C 1 3 ASN 3 2 2 ASN ASN C . n +C 1 4 LYS 4 3 3 LYS LYS C . n +C 1 5 GLU 5 4 4 GLU GLU C . n +C 1 6 VAL 6 5 5 VAL VAL C . n +C 1 7 ASP 7 6 6 ASP ASP C . n +C 1 8 LEU 8 7 7 LEU LEU C . n +C 1 9 SER 9 8 8 SER SER C . n +C 1 10 VAL 10 9 9 VAL VAL C . n +C 1 11 SER 11 10 10 SER SER C . n +C 1 12 CYS 12 11 11 CYS CYS C . n +C 1 13 LEU 13 12 12 LEU LEU C . n +C 1 14 GLY 14 13 13 GLY GLY C . n +C 1 15 LYS 15 14 14 LYS LYS C . n +C 1 16 VAL 16 15 15 VAL VAL C . n +C 1 17 LYS 17 16 16 LYS LYS C . n +C 1 18 GLU 18 17 17 GLU GLU C . n +C 1 19 LEU 19 18 18 LEU LEU C . n +C 1 20 LYS 20 19 19 LYS LYS C . n +C 1 21 TYR 21 20 20 TYR TYR C . n +C 1 22 ASP 22 21 21 ASP ASP C . n +C 1 23 VAL 23 22 22 VAL VAL C . n +C 1 24 ILE 24 23 23 ILE ILE C . n +C 1 25 ILE 25 24 24 ILE ILE C . n +C 1 26 LEU 26 25 25 LEU LEU C . n +C 1 27 PRO 27 26 26 PRO PRO C . n +C 1 28 TRP 28 27 27 TRP TRP C . n +C 1 29 GLY 29 28 28 GLY GLY C . n +C 1 30 ALA 30 29 29 ALA ALA C . n +C 1 31 THR 31 30 30 THR THR C . n +C 1 32 GLU 32 31 31 GLU GLU C . n +C 1 33 PRO 33 32 32 PRO PRO C . n +C 1 34 HIS 34 33 33 HIS HIS C . n +C 1 35 ASN 35 34 34 ASN ASN C . n +C 1 36 LEU 36 35 35 LEU LEU C . n +C 1 37 HIS 37 36 36 HIS HIS C . n +C 1 38 LEU 38 37 37 LEU LEU C . n +C 1 39 PRO 39 38 38 PRO PRO C . n +C 1 40 TYR 40 39 39 TYR TYR C . n +C 1 41 LEU 41 40 40 LEU LEU C . n +C 1 42 THR 42 41 41 THR THR C . n +C 1 43 ASP 43 42 42 ASP ASP C . n +C 1 44 CYS 44 43 43 CYS CYS C . n +C 1 45 ILE 45 44 44 ILE ILE C . n +C 1 46 LEU 46 45 45 LEU LEU C . n +C 1 47 PRO 47 46 46 PRO PRO C . n +C 1 48 HIS 48 47 47 HIS HIS C . n +C 1 49 ASP 49 48 48 ASP ASP C . n +C 1 50 ILE 50 49 49 ILE ILE C . n +C 1 51 ALA 51 50 50 ALA ALA C . n +C 1 52 VAL 52 51 51 VAL VAL C . n +C 1 53 GLU 53 52 52 GLU GLU C . n +C 1 54 ALA 54 53 53 ALA ALA C . n +C 1 55 ALA 55 54 54 ALA ALA C . n +C 1 56 GLU 56 55 55 GLU GLU C . n +C 1 57 LEU 57 56 56 LEU LEU C . n +C 1 58 ALA 58 57 57 ALA ALA C . n +C 1 59 LEU 59 58 58 LEU LEU C . n +C 1 60 SER 60 59 59 SER SER C . n +C 1 61 ARG 61 60 60 ARG ARG C . n +C 1 62 SER 62 61 61 SER SER C . n +C 1 63 GLY 63 62 62 GLY GLY C . n +C 1 64 VAL 64 63 63 VAL VAL C . n +C 1 65 ARG 65 64 64 ARG ARG C . n +C 1 66 CYS 66 65 65 CYS CYS C . n +C 1 67 MSE 67 66 66 MSE MSE C . n +C 1 68 VAL 68 67 67 VAL VAL C . n +C 1 69 MSE 69 68 68 MSE MSE C . n +C 1 70 PRO 70 69 69 PRO PRO C . n +C 1 71 PRO 71 70 70 PRO PRO C . n +C 1 72 VAL 72 71 71 VAL VAL C . n +C 1 73 PRO 73 72 72 PRO PRO C . n +C 1 74 PHE 74 73 73 PHE PHE C . n +C 1 75 GLY 75 74 74 GLY GLY C . n +C 1 76 ALA 76 75 75 ALA ALA C . n +C 1 77 HIS 77 76 76 HIS HIS C . n +C 1 78 ASN 78 77 77 ASN ASN C . n +C 1 79 PRO 79 78 78 PRO PRO C . n +C 1 80 GLY 80 79 79 GLY GLY C . n +C 1 81 GLN 81 80 80 GLN GLN C . n +C 1 82 ARG 82 81 81 ARG ARG C . n +C 1 83 GLU 83 82 82 GLU GLU C . n +C 1 84 LEU 84 83 83 LEU LEU C . n +C 1 85 PRO 85 84 84 PRO PRO C . n +C 1 86 PHE 86 85 85 PHE PHE C . n +C 1 87 CYS 87 86 86 CYS CYS C . n +C 1 88 ILE 88 87 87 ILE ILE C . n +C 1 89 HIS 89 88 88 HIS HIS C . n +C 1 90 THR 90 89 89 THR THR C . n +C 1 91 ARG 91 90 90 ARG ARG C . n +C 1 92 TYR 92 91 91 TYR TYR C . n +C 1 93 ALA 93 92 92 ALA ALA C . n +C 1 94 THR 94 93 93 THR THR C . n +C 1 95 GLN 95 94 94 GLN GLN C . n +C 1 96 GLN 96 95 95 GLN GLN C . n +C 1 97 ALA 97 96 96 ALA ALA C . n +C 1 98 ILE 98 97 97 ILE ILE C . n +C 1 99 LEU 99 98 98 LEU LEU C . n +C 1 100 GLU 100 99 99 GLU GLU C . n +C 1 101 ASP 101 100 100 ASP ASP C . n +C 1 102 ILE 102 101 101 ILE ILE C . n +C 1 103 VAL 103 102 102 VAL VAL C . n +C 1 104 SER 104 103 103 SER SER C . n +C 1 105 SER 105 104 104 SER SER C . n +C 1 106 LEU 106 105 105 LEU LEU C . n +C 1 107 HIS 107 106 106 HIS HIS C . n +C 1 108 VAL 108 107 107 VAL VAL C . n +C 1 109 GLN 109 108 108 GLN GLN C . n +C 1 110 GLY 110 109 109 GLY GLY C . n +C 1 111 PHE 111 110 110 PHE PHE C . n +C 1 112 ARG 112 111 111 ARG ARG C . n +C 1 113 LYS 113 112 112 LYS LYS C . n +C 1 114 LEU 114 113 113 LEU LEU C . n +C 1 115 LEU 115 114 114 LEU LEU C . n +C 1 116 ILE 116 115 115 ILE ILE C . n +C 1 117 LEU 117 116 116 LEU LEU C . n +C 1 118 SER 118 117 117 SER SER C . n +C 1 119 GLY 119 118 118 GLY GLY C . n +C 1 120 HIS 120 119 119 HIS HIS C . n +C 1 121 GLY 121 120 120 GLY GLY C . n +C 1 122 GLY 122 121 121 GLY GLY C . n +C 1 123 ASN 123 122 122 ASN ASN C . n +C 1 124 ASN 124 123 123 ASN ASN C . n +C 1 125 PHE 125 124 124 PHE PHE C . n +C 1 126 LYS 126 125 125 LYS LYS C . n +C 1 127 GLY 127 126 126 GLY GLY C . n +C 1 128 MSE 128 127 127 MSE MSE C . n +C 1 129 ILE 129 128 128 ILE ILE C . n +C 1 130 ARG 130 129 129 ARG ARG C . n +C 1 131 ASP 131 130 130 ASP ASP C . n +C 1 132 LEU 132 131 131 LEU LEU C . n +C 1 133 ALA 133 132 132 ALA ALA C . n +C 1 134 PHE 134 133 133 PHE PHE C . n +C 1 135 GLU 135 134 134 GLU GLU C . n +C 1 136 TYR 136 135 135 TYR TYR C . n +C 1 137 PRO 137 136 136 PRO PRO C . n +C 1 138 ASP 138 137 137 ASP ASP C . n +C 1 139 PHE 139 138 138 PHE PHE C . n +C 1 140 LEU 140 139 139 LEU LEU C . n +C 1 141 ILE 141 140 140 ILE ILE C . n +C 1 142 ALA 142 141 141 ALA ALA C . n +C 1 143 ALA 143 142 142 ALA ALA C . n +C 1 144 ALA 144 143 143 ALA ALA C . n +C 1 145 ASN 145 144 144 ASN ASN C . n +C 1 146 TRP 146 145 145 TRP TRP C . n +C 1 147 PHE 147 146 146 PHE PHE C . n +C 1 148 GLU 148 147 147 GLU GLU C . n +C 1 149 VAL 149 148 148 VAL VAL C . n +C 1 150 VAL 150 149 149 VAL VAL C . n +C 1 151 SER 151 150 150 SER SER C . n +C 1 152 PRO 152 151 151 PRO PRO C . n +C 1 153 LYS 153 152 152 LYS LYS C . n +C 1 154 GLY 154 153 153 GLY GLY C . n +C 1 155 TYR 155 154 154 TYR TYR C . n +C 1 156 PHE 156 155 155 PHE PHE C . n +C 1 157 GLU 157 156 156 GLU GLU C . n +C 1 158 ALA 158 157 157 ALA ALA C . n +C 1 159 GLU 159 158 158 GLU GLU C . n +C 1 160 ILE 160 159 159 ILE ILE C . n +C 1 161 ASP 161 160 160 ASP ASP C . n +C 1 162 ASP 162 161 161 ASP ASP C . n +C 1 163 HIS 163 162 162 HIS HIS C . n +C 1 164 ALA 164 163 163 ALA ALA C . n +C 1 165 GLY 165 164 164 GLY GLY C . n +C 1 166 GLU 166 165 165 GLU GLU C . n +C 1 167 SER 167 166 166 SER SER C . n +C 1 168 GLU 168 167 167 GLU GLU C . n +C 1 169 THR 169 168 168 THR THR C . n +C 1 170 SER 170 169 169 SER SER C . n +C 1 171 VAL 171 170 170 VAL VAL C . n +C 1 172 MSE 172 171 171 MSE MSE C . n +C 1 173 MSE 173 172 172 MSE MSE C . n +C 1 174 HIS 174 173 173 HIS HIS C . n +C 1 175 TYR 175 174 174 TYR TYR C . n +C 1 176 HIS 176 175 175 HIS HIS C . n +C 1 177 PRO 177 176 176 PRO PRO C . n +C 1 178 GLU 178 177 177 GLU GLU C . n +C 1 179 LEU 179 178 178 LEU LEU C . n +C 1 180 VAL 180 179 179 VAL VAL C . n +C 1 181 ASN 181 180 180 ASN ASN C . n +C 1 182 LEU 182 181 181 LEU LEU C . n +C 1 183 ALA 183 182 182 ALA ALA C . n +C 1 184 GLU 184 183 183 GLU GLU C . n +C 1 185 ALA 185 184 184 ALA ALA C . n +C 1 186 GLY 186 185 185 GLY GLY C . n +C 1 187 ASP 187 186 186 ASP ASP C . n +C 1 188 GLY 188 187 187 GLY GLY C . n +C 1 189 GLU 189 188 188 GLU GLU C . n +C 1 190 SER 190 189 189 SER SER C . n +C 1 191 LYS 191 190 190 LYS LYS C . n +C 1 192 PRO 192 191 191 PRO PRO C . n +C 1 193 PHE 193 192 192 PHE PHE C . n +C 1 194 ALA 194 193 193 ALA ALA C . n +C 1 195 ILE 195 194 194 ILE ILE C . n +C 1 196 ALA 196 195 195 ALA ALA C . n +C 1 197 SER 197 196 196 SER SER C . n +C 1 198 LEU 198 197 197 LEU LEU C . n +C 1 199 ASN 199 198 198 ASN ASN C . n +C 1 200 GLU 200 199 199 GLU GLU C . n +C 1 201 LYS 201 200 200 LYS LYS C . n +C 1 202 VAL 202 201 201 VAL VAL C . n +C 1 203 ALA 203 202 202 ALA ALA C . n +C 1 204 TRP 204 203 203 TRP TRP C . n +C 1 205 VAL 205 204 204 VAL VAL C . n +C 1 206 PRO 206 205 205 PRO PRO C . n +C 1 207 ARG 207 206 206 ARG ARG C . n +C 1 208 HIS 208 207 207 HIS HIS C . n +C 1 209 TRP 209 208 208 TRP TRP C . n +C 1 210 ASP 210 209 209 ASP ASP C . n +C 1 211 LYS 211 210 210 LYS LYS C . n +C 1 212 ALA 212 211 211 ALA ALA C . n +C 1 213 THR 213 212 212 THR THR C . n +C 1 214 VAL 214 213 213 VAL VAL C . n +C 1 215 ASP 215 214 214 ASP ASP C . n +C 1 216 SER 216 215 215 SER SER C . n +C 1 217 GLY 217 216 216 GLY GLY C . n +C 1 218 VAL 218 217 217 VAL VAL C . n +C 1 219 GLY 219 218 218 GLY GLY C . n +C 1 220 ASN 220 219 219 ASN ASN C . n +C 1 221 PRO 221 220 220 PRO PRO C . n +C 1 222 LYS 222 221 221 LYS LYS C . n +C 1 223 LYS 223 222 222 LYS LYS C . n +C 1 224 ALA 224 223 223 ALA ALA C . n +C 1 225 THR 225 224 224 THR THR C . n +C 1 226 ALA 226 225 225 ALA ALA C . n +C 1 227 GLU 227 226 226 GLU GLU C . n +C 1 228 LYS 228 227 227 LYS LYS C . n +C 1 229 GLY 229 228 228 GLY GLY C . n +C 1 230 GLU 230 229 229 GLU GLU C . n +C 1 231 ARG 231 230 230 ARG ARG C . n +C 1 232 TYR 232 231 231 TYR TYR C . n +C 1 233 VAL 233 232 232 VAL VAL C . n +C 1 234 LYS 234 233 233 LYS LYS C . n +C 1 235 PRO 235 234 234 PRO PRO C . n +C 1 236 ILE 236 235 235 ILE ILE C . n +C 1 237 VAL 237 236 236 VAL VAL C . n +C 1 238 GLU 238 237 237 GLU GLU C . n +C 1 239 LYS 239 238 238 LYS LYS C . n +C 1 240 LEU 240 239 239 LEU LEU C . n +C 1 241 ALA 241 240 240 ALA ALA C . n +C 1 242 GLY 242 241 241 GLY GLY C . n +C 1 243 LEU 243 242 242 LEU LEU C . n +C 1 244 PHE 244 243 243 PHE PHE C . n +C 1 245 GLU 245 244 244 GLU GLU C . n +C 1 246 GLU 246 245 245 GLU GLU C . n +C 1 247 MSE 247 246 246 MSE MSE C . n +C 1 248 ALA 248 247 247 ALA ALA C . n +C 1 249 GLN 249 248 248 GLN GLN C . n +C 1 250 HIS 250 249 249 HIS HIS C . n +C 1 251 ASP 251 250 250 ASP ASP C . n +C 1 252 LEU 252 251 251 LEU LEU C . n +C 1 253 TYR 253 252 252 TYR TYR C . n +C 1 254 GLU 254 253 253 GLU GLU C . n +D 1 1 GLY 1 0 ? ? ? D . n +D 1 2 MSE 2 1 1 MSE MSE D . n +D 1 3 ASN 3 2 2 ASN ASN D . n +D 1 4 LYS 4 3 3 LYS LYS D . n +D 1 5 GLU 5 4 4 GLU GLU D . n +D 1 6 VAL 6 5 5 VAL VAL D . n +D 1 7 ASP 7 6 6 ASP ASP D . n +D 1 8 LEU 8 7 7 LEU LEU D . n +D 1 9 SER 9 8 8 SER SER D . n +D 1 10 VAL 10 9 9 VAL VAL D . n +D 1 11 SER 11 10 10 SER SER D . n +D 1 12 CYS 12 11 11 CYS CYS D . n +D 1 13 LEU 13 12 12 LEU LEU D . n +D 1 14 GLY 14 13 13 GLY GLY D . n +D 1 15 LYS 15 14 14 LYS LYS D . n +D 1 16 VAL 16 15 15 VAL VAL D . n +D 1 17 LYS 17 16 16 LYS LYS D . n +D 1 18 GLU 18 17 17 GLU GLU D . n +D 1 19 LEU 19 18 18 LEU LEU D . n +D 1 20 LYS 20 19 19 LYS LYS D . n +D 1 21 TYR 21 20 20 TYR TYR D . n +D 1 22 ASP 22 21 21 ASP ASP D . n +D 1 23 VAL 23 22 22 VAL VAL D . n +D 1 24 ILE 24 23 23 ILE ILE D . n +D 1 25 ILE 25 24 24 ILE ILE D . n +D 1 26 LEU 26 25 25 LEU LEU D . n +D 1 27 PRO 27 26 26 PRO PRO D . n +D 1 28 TRP 28 27 27 TRP TRP D . n +D 1 29 GLY 29 28 28 GLY GLY D . n +D 1 30 ALA 30 29 29 ALA ALA D . n +D 1 31 THR 31 30 30 THR THR D . n +D 1 32 GLU 32 31 31 GLU GLU D . n +D 1 33 PRO 33 32 32 PRO PRO D . n +D 1 34 HIS 34 33 33 HIS HIS D . n +D 1 35 ASN 35 34 34 ASN ASN D . n +D 1 36 LEU 36 35 35 LEU LEU D . n +D 1 37 HIS 37 36 36 HIS HIS D . n +D 1 38 LEU 38 37 37 LEU LEU D . n +D 1 39 PRO 39 38 38 PRO PRO D . n +D 1 40 TYR 40 39 39 TYR TYR D . n +D 1 41 LEU 41 40 40 LEU LEU D . n +D 1 42 THR 42 41 41 THR THR D . n +D 1 43 ASP 43 42 42 ASP ASP D . n +D 1 44 CYS 44 43 43 CYS CYS D . n +D 1 45 ILE 45 44 44 ILE ILE D . n +D 1 46 LEU 46 45 45 LEU LEU D . n +D 1 47 PRO 47 46 46 PRO PRO D . n +D 1 48 HIS 48 47 47 HIS HIS D . n +D 1 49 ASP 49 48 48 ASP ASP D . n +D 1 50 ILE 50 49 49 ILE ILE D . n +D 1 51 ALA 51 50 50 ALA ALA D . n +D 1 52 VAL 52 51 51 VAL VAL D . n +D 1 53 GLU 53 52 52 GLU GLU D . n +D 1 54 ALA 54 53 53 ALA ALA D . n +D 1 55 ALA 55 54 54 ALA ALA D . n +D 1 56 GLU 56 55 55 GLU GLU D . n +D 1 57 LEU 57 56 56 LEU LEU D . n +D 1 58 ALA 58 57 57 ALA ALA D . n +D 1 59 LEU 59 58 58 LEU LEU D . n +D 1 60 SER 60 59 59 SER SER D . n +D 1 61 ARG 61 60 60 ARG ARG D . n +D 1 62 SER 62 61 61 SER SER D . n +D 1 63 GLY 63 62 62 GLY GLY D . n +D 1 64 VAL 64 63 63 VAL VAL D . n +D 1 65 ARG 65 64 64 ARG ARG D . n +D 1 66 CYS 66 65 65 CYS CYS D . n +D 1 67 MSE 67 66 66 MSE MSE D . n +D 1 68 VAL 68 67 67 VAL VAL D . n +D 1 69 MSE 69 68 68 MSE MSE D . n +D 1 70 PRO 70 69 69 PRO PRO D . n +D 1 71 PRO 71 70 70 PRO PRO D . n +D 1 72 VAL 72 71 71 VAL VAL D . n +D 1 73 PRO 73 72 72 PRO PRO D . n +D 1 74 PHE 74 73 73 PHE PHE D . n +D 1 75 GLY 75 74 74 GLY GLY D . n +D 1 76 ALA 76 75 75 ALA ALA D . n +D 1 77 HIS 77 76 76 HIS HIS D . n +D 1 78 ASN 78 77 77 ASN ASN D . n +D 1 79 PRO 79 78 78 PRO PRO D . n +D 1 80 GLY 80 79 79 GLY GLY D . n +D 1 81 GLN 81 80 80 GLN GLN D . n +D 1 82 ARG 82 81 81 ARG ARG D . n +D 1 83 GLU 83 82 82 GLU GLU D . n +D 1 84 LEU 84 83 83 LEU LEU D . n +D 1 85 PRO 85 84 84 PRO PRO D . n +D 1 86 PHE 86 85 85 PHE PHE D . n +D 1 87 CYS 87 86 86 CYS CYS D . n +D 1 88 ILE 88 87 87 ILE ILE D . n +D 1 89 HIS 89 88 88 HIS HIS D . n +D 1 90 THR 90 89 89 THR THR D . n +D 1 91 ARG 91 90 90 ARG ARG D . n +D 1 92 TYR 92 91 91 TYR TYR D . n +D 1 93 ALA 93 92 92 ALA ALA D . n +D 1 94 THR 94 93 93 THR THR D . n +D 1 95 GLN 95 94 94 GLN GLN D . n +D 1 96 GLN 96 95 95 GLN GLN D . n +D 1 97 ALA 97 96 96 ALA ALA D . n +D 1 98 ILE 98 97 97 ILE ILE D . n +D 1 99 LEU 99 98 98 LEU LEU D . n +D 1 100 GLU 100 99 99 GLU GLU D . n +D 1 101 ASP 101 100 100 ASP ASP D . n +D 1 102 ILE 102 101 101 ILE ILE D . n +D 1 103 VAL 103 102 102 VAL VAL D . n +D 1 104 SER 104 103 103 SER SER D . n +D 1 105 SER 105 104 104 SER SER D . n +D 1 106 LEU 106 105 105 LEU LEU D . n +D 1 107 HIS 107 106 106 HIS HIS D . n +D 1 108 VAL 108 107 107 VAL VAL D . n +D 1 109 GLN 109 108 108 GLN GLN D . n +D 1 110 GLY 110 109 109 GLY GLY D . n +D 1 111 PHE 111 110 110 PHE PHE D . n +D 1 112 ARG 112 111 111 ARG ARG D . n +D 1 113 LYS 113 112 112 LYS LYS D . n +D 1 114 LEU 114 113 113 LEU LEU D . n +D 1 115 LEU 115 114 114 LEU LEU D . n +D 1 116 ILE 116 115 115 ILE ILE D . n +D 1 117 LEU 117 116 116 LEU LEU D . n +D 1 118 SER 118 117 117 SER SER D . n +D 1 119 GLY 119 118 118 GLY GLY D . n +D 1 120 HIS 120 119 119 HIS HIS D . n +D 1 121 GLY 121 120 120 GLY GLY D . n +D 1 122 GLY 122 121 121 GLY GLY D . n +D 1 123 ASN 123 122 122 ASN ASN D . n +D 1 124 ASN 124 123 123 ASN ASN D . n +D 1 125 PHE 125 124 124 PHE PHE D . n +D 1 126 LYS 126 125 125 LYS LYS D . n +D 1 127 GLY 127 126 126 GLY GLY D . n +D 1 128 MSE 128 127 127 MSE MSE D . n +D 1 129 ILE 129 128 128 ILE ILE D . n +D 1 130 ARG 130 129 129 ARG ARG D . n +D 1 131 ASP 131 130 130 ASP ASP D . n +D 1 132 LEU 132 131 131 LEU LEU D . n +D 1 133 ALA 133 132 132 ALA ALA D . n +D 1 134 PHE 134 133 133 PHE PHE D . n +D 1 135 GLU 135 134 134 GLU GLU D . n +D 1 136 TYR 136 135 135 TYR TYR D . n +D 1 137 PRO 137 136 136 PRO PRO D . n +D 1 138 ASP 138 137 137 ASP ASP D . n +D 1 139 PHE 139 138 138 PHE PHE D . n +D 1 140 LEU 140 139 139 LEU LEU D . n +D 1 141 ILE 141 140 140 ILE ILE D . n +D 1 142 ALA 142 141 141 ALA ALA D . n +D 1 143 ALA 143 142 142 ALA ALA D . n +D 1 144 ALA 144 143 143 ALA ALA D . n +D 1 145 ASN 145 144 144 ASN ASN D . n +D 1 146 TRP 146 145 145 TRP TRP D . n +D 1 147 PHE 147 146 146 PHE PHE D . n +D 1 148 GLU 148 147 147 GLU GLU D . n +D 1 149 VAL 149 148 148 VAL VAL D . n +D 1 150 VAL 150 149 149 VAL VAL D . n +D 1 151 SER 151 150 150 SER SER D . n +D 1 152 PRO 152 151 151 PRO PRO D . n +D 1 153 LYS 153 152 152 LYS LYS D . n +D 1 154 GLY 154 153 153 GLY GLY D . n +D 1 155 TYR 155 154 154 TYR TYR D . n +D 1 156 PHE 156 155 155 PHE PHE D . n +D 1 157 GLU 157 156 156 GLU GLU D . n +D 1 158 ALA 158 157 157 ALA ALA D . n +D 1 159 GLU 159 158 158 GLU GLU D . n +D 1 160 ILE 160 159 159 ILE ILE D . n +D 1 161 ASP 161 160 160 ASP ASP D . n +D 1 162 ASP 162 161 161 ASP ASP D . n +D 1 163 HIS 163 162 162 HIS HIS D . n +D 1 164 ALA 164 163 163 ALA ALA D . n +D 1 165 GLY 165 164 164 GLY GLY D . n +D 1 166 GLU 166 165 165 GLU GLU D . n +D 1 167 SER 167 166 166 SER SER D . n +D 1 168 GLU 168 167 167 GLU GLU D . n +D 1 169 THR 169 168 168 THR THR D . n +D 1 170 SER 170 169 169 SER SER D . n +D 1 171 VAL 171 170 170 VAL VAL D . n +D 1 172 MSE 172 171 171 MSE MSE D . n +D 1 173 MSE 173 172 172 MSE MSE D . n +D 1 174 HIS 174 173 173 HIS HIS D . n +D 1 175 TYR 175 174 174 TYR TYR D . n +D 1 176 HIS 176 175 175 HIS HIS D . n +D 1 177 PRO 177 176 176 PRO PRO D . n +D 1 178 GLU 178 177 177 GLU GLU D . n +D 1 179 LEU 179 178 178 LEU LEU D . n +D 1 180 VAL 180 179 179 VAL VAL D . n +D 1 181 ASN 181 180 180 ASN ASN D . n +D 1 182 LEU 182 181 181 LEU LEU D . n +D 1 183 ALA 183 182 182 ALA ALA D . n +D 1 184 GLU 184 183 183 GLU GLU D . n +D 1 185 ALA 185 184 184 ALA ALA D . n +D 1 186 GLY 186 185 185 GLY GLY D . n +D 1 187 ASP 187 186 186 ASP ASP D . n +D 1 188 GLY 188 187 187 GLY GLY D . n +D 1 189 GLU 189 188 188 GLU GLU D . n +D 1 190 SER 190 189 189 SER SER D . n +D 1 191 LYS 191 190 190 LYS LYS D . n +D 1 192 PRO 192 191 191 PRO PRO D . n +D 1 193 PHE 193 192 192 PHE PHE D . n +D 1 194 ALA 194 193 193 ALA ALA D . n +D 1 195 ILE 195 194 194 ILE ILE D . n +D 1 196 ALA 196 195 195 ALA ALA D . n +D 1 197 SER 197 196 196 SER SER D . n +D 1 198 LEU 198 197 197 LEU LEU D . n +D 1 199 ASN 199 198 198 ASN ASN D . n +D 1 200 GLU 200 199 199 GLU GLU D . n +D 1 201 LYS 201 200 200 LYS LYS D . n +D 1 202 VAL 202 201 201 VAL VAL D . n +D 1 203 ALA 203 202 202 ALA ALA D . n +D 1 204 TRP 204 203 203 TRP TRP D . n +D 1 205 VAL 205 204 204 VAL VAL D . n +D 1 206 PRO 206 205 205 PRO PRO D . n +D 1 207 ARG 207 206 206 ARG ARG D . n +D 1 208 HIS 208 207 207 HIS HIS D . n +D 1 209 TRP 209 208 208 TRP TRP D . n +D 1 210 ASP 210 209 209 ASP ASP D . n +D 1 211 LYS 211 210 210 LYS LYS D . n +D 1 212 ALA 212 211 211 ALA ALA D . n +D 1 213 THR 213 212 212 THR THR D . n +D 1 214 VAL 214 213 213 VAL VAL D . n +D 1 215 ASP 215 214 214 ASP ASP D . n +D 1 216 SER 216 215 215 SER SER D . n +D 1 217 GLY 217 216 216 GLY GLY D . n +D 1 218 VAL 218 217 217 VAL VAL D . n +D 1 219 GLY 219 218 218 GLY GLY D . n +D 1 220 ASN 220 219 219 ASN ASN D . n +D 1 221 PRO 221 220 220 PRO PRO D . n +D 1 222 LYS 222 221 221 LYS LYS D . n +D 1 223 LYS 223 222 222 LYS LYS D . n +D 1 224 ALA 224 223 223 ALA ALA D . n +D 1 225 THR 225 224 224 THR THR D . n +D 1 226 ALA 226 225 225 ALA ALA D . n +D 1 227 GLU 227 226 226 GLU GLU D . n +D 1 228 LYS 228 227 227 LYS LYS D . n +D 1 229 GLY 229 228 228 GLY GLY D . n +D 1 230 GLU 230 229 229 GLU GLU D . n +D 1 231 ARG 231 230 230 ARG ARG D . n +D 1 232 TYR 232 231 231 TYR TYR D . n +D 1 233 VAL 233 232 232 VAL VAL D . n +D 1 234 LYS 234 233 233 LYS LYS D . n +D 1 235 PRO 235 234 234 PRO PRO D . n +D 1 236 ILE 236 235 235 ILE ILE D . n +D 1 237 VAL 237 236 236 VAL VAL D . n +D 1 238 GLU 238 237 237 GLU GLU D . n +D 1 239 LYS 239 238 238 LYS LYS D . n +D 1 240 LEU 240 239 239 LEU LEU D . n +D 1 241 ALA 241 240 240 ALA ALA D . n +D 1 242 GLY 242 241 241 GLY GLY D . n +D 1 243 LEU 243 242 242 LEU LEU D . n +D 1 244 PHE 244 243 243 PHE PHE D . n +D 1 245 GLU 245 244 244 GLU GLU D . n +D 1 246 GLU 246 245 245 GLU GLU D . n +D 1 247 MSE 247 246 246 MSE MSE D . n +D 1 248 ALA 248 247 247 ALA ALA D . n +D 1 249 GLN 249 248 248 GLN GLN D . n +D 1 250 HIS 250 249 249 HIS HIS D . n +D 1 251 ASP 251 250 250 ASP ASP D . n +D 1 252 LEU 252 251 251 LEU LEU D . n +D 1 253 TYR 253 252 252 TYR TYR D . n +D 1 254 GLU 254 253 253 GLU GLU D . n +E 1 1 GLY 1 0 ? ? ? E . n +E 1 2 MSE 2 1 1 MSE MSE E . n +E 1 3 ASN 3 2 2 ASN ASN E . n +E 1 4 LYS 4 3 3 LYS LYS E . n +E 1 5 GLU 5 4 4 GLU GLU E . n +E 1 6 VAL 6 5 5 VAL VAL E . n +E 1 7 ASP 7 6 6 ASP ASP E . n +E 1 8 LEU 8 7 7 LEU LEU E . n +E 1 9 SER 9 8 8 SER SER E . n +E 1 10 VAL 10 9 9 VAL VAL E . n +E 1 11 SER 11 10 10 SER SER E . n +E 1 12 CYS 12 11 11 CYS CYS E . n +E 1 13 LEU 13 12 12 LEU LEU E . n +E 1 14 GLY 14 13 13 GLY GLY E . n +E 1 15 LYS 15 14 14 LYS LYS E . n +E 1 16 VAL 16 15 15 VAL VAL E . n +E 1 17 LYS 17 16 16 LYS LYS E . n +E 1 18 GLU 18 17 17 GLU GLU E . n +E 1 19 LEU 19 18 18 LEU LEU E . n +E 1 20 LYS 20 19 19 LYS LYS E . n +E 1 21 TYR 21 20 20 TYR TYR E . n +E 1 22 ASP 22 21 21 ASP ASP E . n +E 1 23 VAL 23 22 22 VAL VAL E . n +E 1 24 ILE 24 23 23 ILE ILE E . n +E 1 25 ILE 25 24 24 ILE ILE E . n +E 1 26 LEU 26 25 25 LEU LEU E . n +E 1 27 PRO 27 26 26 PRO PRO E . n +E 1 28 TRP 28 27 27 TRP TRP E . n +E 1 29 GLY 29 28 28 GLY GLY E . n +E 1 30 ALA 30 29 29 ALA ALA E . n +E 1 31 THR 31 30 30 THR THR E . n +E 1 32 GLU 32 31 31 GLU GLU E . n +E 1 33 PRO 33 32 32 PRO PRO E . n +E 1 34 HIS 34 33 33 HIS HIS E . n +E 1 35 ASN 35 34 34 ASN ASN E . n +E 1 36 LEU 36 35 35 LEU LEU E . n +E 1 37 HIS 37 36 36 HIS HIS E . n +E 1 38 LEU 38 37 37 LEU LEU E . n +E 1 39 PRO 39 38 38 PRO PRO E . n +E 1 40 TYR 40 39 39 TYR TYR E . n +E 1 41 LEU 41 40 40 LEU LEU E . n +E 1 42 THR 42 41 41 THR THR E . n +E 1 43 ASP 43 42 42 ASP ASP E . n +E 1 44 CYS 44 43 43 CYS CYS E . n +E 1 45 ILE 45 44 44 ILE ILE E . n +E 1 46 LEU 46 45 45 LEU LEU E . n +E 1 47 PRO 47 46 46 PRO PRO E . n +E 1 48 HIS 48 47 47 HIS HIS E . n +E 1 49 ASP 49 48 48 ASP ASP E . n +E 1 50 ILE 50 49 49 ILE ILE E . n +E 1 51 ALA 51 50 50 ALA ALA E . n +E 1 52 VAL 52 51 51 VAL VAL E . n +E 1 53 GLU 53 52 52 GLU GLU E . n +E 1 54 ALA 54 53 53 ALA ALA E . n +E 1 55 ALA 55 54 54 ALA ALA E . n +E 1 56 GLU 56 55 55 GLU GLU E . n +E 1 57 LEU 57 56 56 LEU LEU E . n +E 1 58 ALA 58 57 57 ALA ALA E . n +E 1 59 LEU 59 58 58 LEU LEU E . n +E 1 60 SER 60 59 59 SER SER E . n +E 1 61 ARG 61 60 60 ARG ARG E . n +E 1 62 SER 62 61 61 SER SER E . n +E 1 63 GLY 63 62 62 GLY GLY E . n +E 1 64 VAL 64 63 63 VAL VAL E . n +E 1 65 ARG 65 64 64 ARG ARG E . n +E 1 66 CYS 66 65 65 CYS CYS E . n +E 1 67 MSE 67 66 66 MSE MSE E . n +E 1 68 VAL 68 67 67 VAL VAL E . n +E 1 69 MSE 69 68 68 MSE MSE E . n +E 1 70 PRO 70 69 69 PRO PRO E . n +E 1 71 PRO 71 70 70 PRO PRO E . n +E 1 72 VAL 72 71 71 VAL VAL E . n +E 1 73 PRO 73 72 72 PRO PRO E . n +E 1 74 PHE 74 73 73 PHE PHE E . n +E 1 75 GLY 75 74 74 GLY GLY E . n +E 1 76 ALA 76 75 75 ALA ALA E . n +E 1 77 HIS 77 76 76 HIS HIS E . n +E 1 78 ASN 78 77 77 ASN ASN E . n +E 1 79 PRO 79 78 78 PRO PRO E . n +E 1 80 GLY 80 79 79 GLY GLY E . n +E 1 81 GLN 81 80 80 GLN GLN E . n +E 1 82 ARG 82 81 81 ARG ARG E . n +E 1 83 GLU 83 82 82 GLU GLU E . n +E 1 84 LEU 84 83 83 LEU LEU E . n +E 1 85 PRO 85 84 84 PRO PRO E . n +E 1 86 PHE 86 85 85 PHE PHE E . n +E 1 87 CYS 87 86 86 CYS CYS E . n +E 1 88 ILE 88 87 87 ILE ILE E . n +E 1 89 HIS 89 88 88 HIS HIS E . n +E 1 90 THR 90 89 89 THR THR E . n +E 1 91 ARG 91 90 90 ARG ARG E . n +E 1 92 TYR 92 91 91 TYR TYR E . n +E 1 93 ALA 93 92 92 ALA ALA E . n +E 1 94 THR 94 93 93 THR THR E . n +E 1 95 GLN 95 94 94 GLN GLN E . n +E 1 96 GLN 96 95 95 GLN GLN E . n +E 1 97 ALA 97 96 96 ALA ALA E . n +E 1 98 ILE 98 97 97 ILE ILE E . n +E 1 99 LEU 99 98 98 LEU LEU E . n +E 1 100 GLU 100 99 99 GLU GLU E . n +E 1 101 ASP 101 100 100 ASP ASP E . n +E 1 102 ILE 102 101 101 ILE ILE E . n +E 1 103 VAL 103 102 102 VAL VAL E . n +E 1 104 SER 104 103 103 SER SER E . n +E 1 105 SER 105 104 104 SER SER E . n +E 1 106 LEU 106 105 105 LEU LEU E . n +E 1 107 HIS 107 106 106 HIS HIS E . n +E 1 108 VAL 108 107 107 VAL VAL E . n +E 1 109 GLN 109 108 108 GLN GLN E . n +E 1 110 GLY 110 109 109 GLY GLY E . n +E 1 111 PHE 111 110 110 PHE PHE E . n +E 1 112 ARG 112 111 111 ARG ARG E . n +E 1 113 LYS 113 112 112 LYS LYS E . n +E 1 114 LEU 114 113 113 LEU LEU E . n +E 1 115 LEU 115 114 114 LEU LEU E . n +E 1 116 ILE 116 115 115 ILE ILE E . n +E 1 117 LEU 117 116 116 LEU LEU E . n +E 1 118 SER 118 117 117 SER SER E . n +E 1 119 GLY 119 118 118 GLY GLY E . n +E 1 120 HIS 120 119 119 HIS HIS E . n +E 1 121 GLY 121 120 120 GLY GLY E . n +E 1 122 GLY 122 121 121 GLY GLY E . n +E 1 123 ASN 123 122 122 ASN ASN E . n +E 1 124 ASN 124 123 123 ASN ASN E . n +E 1 125 PHE 125 124 124 PHE PHE E . n +E 1 126 LYS 126 125 125 LYS LYS E . n +E 1 127 GLY 127 126 126 GLY GLY E . n +E 1 128 MSE 128 127 127 MSE MSE E . n +E 1 129 ILE 129 128 128 ILE ILE E . n +E 1 130 ARG 130 129 129 ARG ARG E . n +E 1 131 ASP 131 130 130 ASP ASP E . n +E 1 132 LEU 132 131 131 LEU LEU E . n +E 1 133 ALA 133 132 132 ALA ALA E . n +E 1 134 PHE 134 133 133 PHE PHE E . n +E 1 135 GLU 135 134 134 GLU GLU E . n +E 1 136 TYR 136 135 135 TYR TYR E . n +E 1 137 PRO 137 136 136 PRO PRO E . n +E 1 138 ASP 138 137 137 ASP ASP E . n +E 1 139 PHE 139 138 138 PHE PHE E . n +E 1 140 LEU 140 139 139 LEU LEU E . n +E 1 141 ILE 141 140 140 ILE ILE E . n +E 1 142 ALA 142 141 141 ALA ALA E . n +E 1 143 ALA 143 142 142 ALA ALA E . n +E 1 144 ALA 144 143 143 ALA ALA E . n +E 1 145 ASN 145 144 144 ASN ASN E . n +E 1 146 TRP 146 145 145 TRP TRP E . n +E 1 147 PHE 147 146 146 PHE PHE E . n +E 1 148 GLU 148 147 147 GLU GLU E . n +E 1 149 VAL 149 148 148 VAL VAL E . n +E 1 150 VAL 150 149 149 VAL VAL E . n +E 1 151 SER 151 150 150 SER SER E . n +E 1 152 PRO 152 151 151 PRO PRO E . n +E 1 153 LYS 153 152 152 LYS LYS E . n +E 1 154 GLY 154 153 153 GLY GLY E . n +E 1 155 TYR 155 154 154 TYR TYR E . n +E 1 156 PHE 156 155 155 PHE PHE E . n +E 1 157 GLU 157 156 156 GLU GLU E . n +E 1 158 ALA 158 157 157 ALA ALA E . n +E 1 159 GLU 159 158 158 GLU GLU E . n +E 1 160 ILE 160 159 159 ILE ILE E . n +E 1 161 ASP 161 160 160 ASP ASP E . n +E 1 162 ASP 162 161 161 ASP ASP E . n +E 1 163 HIS 163 162 162 HIS HIS E . n +E 1 164 ALA 164 163 163 ALA ALA E . n +E 1 165 GLY 165 164 164 GLY GLY E . n +E 1 166 GLU 166 165 165 GLU GLU E . n +E 1 167 SER 167 166 166 SER SER E . n +E 1 168 GLU 168 167 167 GLU GLU E . n +E 1 169 THR 169 168 168 THR THR E . n +E 1 170 SER 170 169 169 SER SER E . n +E 1 171 VAL 171 170 170 VAL VAL E . n +E 1 172 MSE 172 171 171 MSE MSE E . n +E 1 173 MSE 173 172 172 MSE MSE E . n +E 1 174 HIS 174 173 173 HIS HIS E . n +E 1 175 TYR 175 174 174 TYR TYR E . n +E 1 176 HIS 176 175 175 HIS HIS E . n +E 1 177 PRO 177 176 176 PRO PRO E . n +E 1 178 GLU 178 177 177 GLU GLU E . n +E 1 179 LEU 179 178 178 LEU LEU E . n +E 1 180 VAL 180 179 179 VAL VAL E . n +E 1 181 ASN 181 180 180 ASN ASN E . n +E 1 182 LEU 182 181 181 LEU LEU E . n +E 1 183 ALA 183 182 182 ALA ALA E . n +E 1 184 GLU 184 183 183 GLU GLU E . n +E 1 185 ALA 185 184 184 ALA ALA E . n +E 1 186 GLY 186 185 185 GLY GLY E . n +E 1 187 ASP 187 186 186 ASP ASP E . n +E 1 188 GLY 188 187 187 GLY GLY E . n +E 1 189 GLU 189 188 188 GLU GLU E . n +E 1 190 SER 190 189 189 SER SER E . n +E 1 191 LYS 191 190 190 LYS LYS E . n +E 1 192 PRO 192 191 191 PRO PRO E . n +E 1 193 PHE 193 192 192 PHE PHE E . n +E 1 194 ALA 194 193 193 ALA ALA E . n +E 1 195 ILE 195 194 194 ILE ILE E . n +E 1 196 ALA 196 195 195 ALA ALA E . n +E 1 197 SER 197 196 196 SER SER E . n +E 1 198 LEU 198 197 197 LEU LEU E . n +E 1 199 ASN 199 198 198 ASN ASN E . n +E 1 200 GLU 200 199 199 GLU GLU E . n +E 1 201 LYS 201 200 200 LYS LYS E . n +E 1 202 VAL 202 201 201 VAL VAL E . n +E 1 203 ALA 203 202 202 ALA ALA E . n +E 1 204 TRP 204 203 203 TRP TRP E . n +E 1 205 VAL 205 204 204 VAL VAL E . n +E 1 206 PRO 206 205 205 PRO PRO E . n +E 1 207 ARG 207 206 206 ARG ARG E . n +E 1 208 HIS 208 207 207 HIS HIS E . n +E 1 209 TRP 209 208 208 TRP TRP E . n +E 1 210 ASP 210 209 209 ASP ASP E . n +E 1 211 LYS 211 210 210 LYS LYS E . n +E 1 212 ALA 212 211 211 ALA ALA E . n +E 1 213 THR 213 212 212 THR THR E . n +E 1 214 VAL 214 213 213 VAL VAL E . n +E 1 215 ASP 215 214 214 ASP ASP E . n +E 1 216 SER 216 215 215 SER SER E . n +E 1 217 GLY 217 216 216 GLY GLY E . n +E 1 218 VAL 218 217 217 VAL VAL E . n +E 1 219 GLY 219 218 218 GLY GLY E . n +E 1 220 ASN 220 219 219 ASN ASN E . n +E 1 221 PRO 221 220 220 PRO PRO E . n +E 1 222 LYS 222 221 221 LYS LYS E . n +E 1 223 LYS 223 222 222 LYS LYS E . n +E 1 224 ALA 224 223 223 ALA ALA E . n +E 1 225 THR 225 224 224 THR THR E . n +E 1 226 ALA 226 225 225 ALA ALA E . n +E 1 227 GLU 227 226 226 GLU GLU E . n +E 1 228 LYS 228 227 227 LYS LYS E . n +E 1 229 GLY 229 228 228 GLY GLY E . n +E 1 230 GLU 230 229 229 GLU GLU E . n +E 1 231 ARG 231 230 230 ARG ARG E . n +E 1 232 TYR 232 231 231 TYR TYR E . n +E 1 233 VAL 233 232 232 VAL VAL E . n +E 1 234 LYS 234 233 233 LYS LYS E . n +E 1 235 PRO 235 234 234 PRO PRO E . n +E 1 236 ILE 236 235 235 ILE ILE E . n +E 1 237 VAL 237 236 236 VAL VAL E . n +E 1 238 GLU 238 237 237 GLU GLU E . n +E 1 239 LYS 239 238 238 LYS LYS E . n +E 1 240 LEU 240 239 239 LEU LEU E . n +E 1 241 ALA 241 240 240 ALA ALA E . n +E 1 242 GLY 242 241 241 GLY GLY E . n +E 1 243 LEU 243 242 242 LEU LEU E . n +E 1 244 PHE 244 243 243 PHE PHE E . n +E 1 245 GLU 245 244 244 GLU GLU E . n +E 1 246 GLU 246 245 245 GLU GLU E . n +E 1 247 MSE 247 246 246 MSE MSE E . n +E 1 248 ALA 248 247 247 ALA ALA E . n +E 1 249 GLN 249 248 248 GLN GLN E . n +E 1 250 HIS 250 249 249 HIS HIS E . n +E 1 251 ASP 251 250 250 ASP ASP E . n +E 1 252 LEU 252 251 251 LEU LEU E . n +E 1 253 TYR 253 252 252 TYR TYR E . n +E 1 254 GLU 254 253 253 GLU GLU E . n +F 1 1 GLY 1 0 0 GLY GLY F . n +F 1 2 MSE 2 1 1 MSE MSE F . n +F 1 3 ASN 3 2 2 ASN ASN F . n +F 1 4 LYS 4 3 3 LYS LYS F . n +F 1 5 GLU 5 4 4 GLU GLU F . n +F 1 6 VAL 6 5 5 VAL VAL F . n +F 1 7 ASP 7 6 6 ASP ASP F . n +F 1 8 LEU 8 7 7 LEU LEU F . n +F 1 9 SER 9 8 8 SER SER F . n +F 1 10 VAL 10 9 9 VAL VAL F . n +F 1 11 SER 11 10 10 SER SER F . n +F 1 12 CYS 12 11 11 CYS CYS F . n +F 1 13 LEU 13 12 12 LEU LEU F . n +F 1 14 GLY 14 13 13 GLY GLY F . n +F 1 15 LYS 15 14 14 LYS LYS F . n +F 1 16 VAL 16 15 15 VAL VAL F . n +F 1 17 LYS 17 16 16 LYS LYS F . n +F 1 18 GLU 18 17 17 GLU GLU F . n +F 1 19 LEU 19 18 18 LEU LEU F . n +F 1 20 LYS 20 19 19 LYS LYS F . n +F 1 21 TYR 21 20 20 TYR TYR F . n +F 1 22 ASP 22 21 21 ASP ASP F . n +F 1 23 VAL 23 22 22 VAL VAL F . n +F 1 24 ILE 24 23 23 ILE ILE F . n +F 1 25 ILE 25 24 24 ILE ILE F . n +F 1 26 LEU 26 25 25 LEU LEU F . n +F 1 27 PRO 27 26 26 PRO PRO F . n +F 1 28 TRP 28 27 27 TRP TRP F . n +F 1 29 GLY 29 28 28 GLY GLY F . n +F 1 30 ALA 30 29 29 ALA ALA F . n +F 1 31 THR 31 30 30 THR THR F . n +F 1 32 GLU 32 31 31 GLU GLU F . n +F 1 33 PRO 33 32 32 PRO PRO F . n +F 1 34 HIS 34 33 33 HIS HIS F . n +F 1 35 ASN 35 34 34 ASN ASN F . n +F 1 36 LEU 36 35 35 LEU LEU F . n +F 1 37 HIS 37 36 36 HIS HIS F . n +F 1 38 LEU 38 37 37 LEU LEU F . n +F 1 39 PRO 39 38 38 PRO PRO F . n +F 1 40 TYR 40 39 39 TYR TYR F . n +F 1 41 LEU 41 40 40 LEU LEU F . n +F 1 42 THR 42 41 41 THR THR F . n +F 1 43 ASP 43 42 42 ASP ASP F . n +F 1 44 CYS 44 43 43 CYS CYS F . n +F 1 45 ILE 45 44 44 ILE ILE F . n +F 1 46 LEU 46 45 45 LEU LEU F . n +F 1 47 PRO 47 46 46 PRO PRO F . n +F 1 48 HIS 48 47 47 HIS HIS F . n +F 1 49 ASP 49 48 48 ASP ASP F . n +F 1 50 ILE 50 49 49 ILE ILE F . n +F 1 51 ALA 51 50 50 ALA ALA F . n +F 1 52 VAL 52 51 51 VAL VAL F . n +F 1 53 GLU 53 52 52 GLU GLU F . n +F 1 54 ALA 54 53 53 ALA ALA F . n +F 1 55 ALA 55 54 54 ALA ALA F . n +F 1 56 GLU 56 55 55 GLU GLU F . n +F 1 57 LEU 57 56 56 LEU LEU F . n +F 1 58 ALA 58 57 57 ALA ALA F . n +F 1 59 LEU 59 58 58 LEU LEU F . n +F 1 60 SER 60 59 59 SER SER F . n +F 1 61 ARG 61 60 60 ARG ARG F . n +F 1 62 SER 62 61 61 SER SER F . n +F 1 63 GLY 63 62 62 GLY GLY F . n +F 1 64 VAL 64 63 63 VAL VAL F . n +F 1 65 ARG 65 64 64 ARG ARG F . n +F 1 66 CYS 66 65 65 CYS CYS F . n +F 1 67 MSE 67 66 66 MSE MSE F . n +F 1 68 VAL 68 67 67 VAL VAL F . n +F 1 69 MSE 69 68 68 MSE MSE F . n +F 1 70 PRO 70 69 69 PRO PRO F . n +F 1 71 PRO 71 70 70 PRO PRO F . n +F 1 72 VAL 72 71 71 VAL VAL F . n +F 1 73 PRO 73 72 72 PRO PRO F . n +F 1 74 PHE 74 73 73 PHE PHE F . n +F 1 75 GLY 75 74 74 GLY GLY F . n +F 1 76 ALA 76 75 75 ALA ALA F . n +F 1 77 HIS 77 76 76 HIS HIS F . n +F 1 78 ASN 78 77 77 ASN ASN F . n +F 1 79 PRO 79 78 78 PRO PRO F . n +F 1 80 GLY 80 79 79 GLY GLY F . n +F 1 81 GLN 81 80 80 GLN GLN F . n +F 1 82 ARG 82 81 81 ARG ARG F . n +F 1 83 GLU 83 82 82 GLU GLU F . n +F 1 84 LEU 84 83 83 LEU LEU F . n +F 1 85 PRO 85 84 84 PRO PRO F . n +F 1 86 PHE 86 85 85 PHE PHE F . n +F 1 87 CYS 87 86 86 CYS CYS F . n +F 1 88 ILE 88 87 87 ILE ILE F . n +F 1 89 HIS 89 88 88 HIS HIS F . n +F 1 90 THR 90 89 89 THR THR F . n +F 1 91 ARG 91 90 90 ARG ARG F . n +F 1 92 TYR 92 91 91 TYR TYR F . n +F 1 93 ALA 93 92 92 ALA ALA F . n +F 1 94 THR 94 93 93 THR THR F . n +F 1 95 GLN 95 94 94 GLN GLN F . n +F 1 96 GLN 96 95 95 GLN GLN F . n +F 1 97 ALA 97 96 96 ALA ALA F . n +F 1 98 ILE 98 97 97 ILE ILE F . n +F 1 99 LEU 99 98 98 LEU LEU F . n +F 1 100 GLU 100 99 99 GLU GLU F . n +F 1 101 ASP 101 100 100 ASP ASP F . n +F 1 102 ILE 102 101 101 ILE ILE F . n +F 1 103 VAL 103 102 102 VAL VAL F . n +F 1 104 SER 104 103 103 SER SER F . n +F 1 105 SER 105 104 104 SER SER F . n +F 1 106 LEU 106 105 105 LEU LEU F . n +F 1 107 HIS 107 106 106 HIS HIS F . n +F 1 108 VAL 108 107 107 VAL VAL F . n +F 1 109 GLN 109 108 108 GLN GLN F . n +F 1 110 GLY 110 109 109 GLY GLY F . n +F 1 111 PHE 111 110 110 PHE PHE F . n +F 1 112 ARG 112 111 111 ARG ARG F . n +F 1 113 LYS 113 112 112 LYS LYS F . n +F 1 114 LEU 114 113 113 LEU LEU F . n +F 1 115 LEU 115 114 114 LEU LEU F . n +F 1 116 ILE 116 115 115 ILE ILE F . n +F 1 117 LEU 117 116 116 LEU LEU F . n +F 1 118 SER 118 117 117 SER SER F . n +F 1 119 GLY 119 118 118 GLY GLY F . n +F 1 120 HIS 120 119 119 HIS HIS F . n +F 1 121 GLY 121 120 120 GLY GLY F . n +F 1 122 GLY 122 121 121 GLY GLY F . n +F 1 123 ASN 123 122 122 ASN ASN F . n +F 1 124 ASN 124 123 123 ASN ASN F . n +F 1 125 PHE 125 124 124 PHE PHE F . n +F 1 126 LYS 126 125 125 LYS LYS F . n +F 1 127 GLY 127 126 126 GLY GLY F . n +F 1 128 MSE 128 127 127 MSE MSE F . n +F 1 129 ILE 129 128 128 ILE ILE F . n +F 1 130 ARG 130 129 129 ARG ARG F . n +F 1 131 ASP 131 130 130 ASP ASP F . n +F 1 132 LEU 132 131 131 LEU LEU F . n +F 1 133 ALA 133 132 132 ALA ALA F . n +F 1 134 PHE 134 133 133 PHE PHE F . n +F 1 135 GLU 135 134 134 GLU GLU F . n +F 1 136 TYR 136 135 135 TYR TYR F . n +F 1 137 PRO 137 136 136 PRO PRO F . n +F 1 138 ASP 138 137 137 ASP ASP F . n +F 1 139 PHE 139 138 138 PHE PHE F . n +F 1 140 LEU 140 139 139 LEU LEU F . n +F 1 141 ILE 141 140 140 ILE ILE F . n +F 1 142 ALA 142 141 141 ALA ALA F . n +F 1 143 ALA 143 142 142 ALA ALA F . n +F 1 144 ALA 144 143 143 ALA ALA F . n +F 1 145 ASN 145 144 144 ASN ASN F . n +F 1 146 TRP 146 145 145 TRP TRP F . n +F 1 147 PHE 147 146 146 PHE PHE F . n +F 1 148 GLU 148 147 147 GLU GLU F . n +F 1 149 VAL 149 148 148 VAL VAL F . n +F 1 150 VAL 150 149 149 VAL VAL F . n +F 1 151 SER 151 150 150 SER SER F . n +F 1 152 PRO 152 151 151 PRO PRO F . n +F 1 153 LYS 153 152 152 LYS LYS F . n +F 1 154 GLY 154 153 153 GLY GLY F . n +F 1 155 TYR 155 154 154 TYR TYR F . n +F 1 156 PHE 156 155 155 PHE PHE F . n +F 1 157 GLU 157 156 156 GLU GLU F . n +F 1 158 ALA 158 157 157 ALA ALA F . n +F 1 159 GLU 159 158 158 GLU GLU F . n +F 1 160 ILE 160 159 159 ILE ILE F . n +F 1 161 ASP 161 160 160 ASP ASP F . n +F 1 162 ASP 162 161 161 ASP ASP F . n +F 1 163 HIS 163 162 162 HIS HIS F . n +F 1 164 ALA 164 163 163 ALA ALA F . n +F 1 165 GLY 165 164 164 GLY GLY F . n +F 1 166 GLU 166 165 165 GLU GLU F . n +F 1 167 SER 167 166 166 SER SER F . n +F 1 168 GLU 168 167 167 GLU GLU F . n +F 1 169 THR 169 168 168 THR THR F . n +F 1 170 SER 170 169 169 SER SER F . n +F 1 171 VAL 171 170 170 VAL VAL F . n +F 1 172 MSE 172 171 171 MSE MSE F . n +F 1 173 MSE 173 172 172 MSE MSE F . n +F 1 174 HIS 174 173 173 HIS HIS F . n +F 1 175 TYR 175 174 174 TYR TYR F . n +F 1 176 HIS 176 175 175 HIS HIS F . n +F 1 177 PRO 177 176 176 PRO PRO F . n +F 1 178 GLU 178 177 177 GLU GLU F . n +F 1 179 LEU 179 178 178 LEU LEU F . n +F 1 180 VAL 180 179 179 VAL VAL F . n +F 1 181 ASN 181 180 180 ASN ASN F . n +F 1 182 LEU 182 181 181 LEU LEU F . n +F 1 183 ALA 183 182 182 ALA ALA F . n +F 1 184 GLU 184 183 183 GLU GLU F . n +F 1 185 ALA 185 184 184 ALA ALA F . n +F 1 186 GLY 186 185 185 GLY GLY F . n +F 1 187 ASP 187 186 186 ASP ASP F . n +F 1 188 GLY 188 187 187 GLY GLY F . n +F 1 189 GLU 189 188 188 GLU GLU F . n +F 1 190 SER 190 189 189 SER SER F . n +F 1 191 LYS 191 190 190 LYS LYS F . n +F 1 192 PRO 192 191 191 PRO PRO F . n +F 1 193 PHE 193 192 192 PHE PHE F . n +F 1 194 ALA 194 193 193 ALA ALA F . n +F 1 195 ILE 195 194 194 ILE ILE F . n +F 1 196 ALA 196 195 195 ALA ALA F . n +F 1 197 SER 197 196 196 SER SER F . n +F 1 198 LEU 198 197 197 LEU LEU F . n +F 1 199 ASN 199 198 198 ASN ASN F . n +F 1 200 GLU 200 199 199 GLU GLU F . n +F 1 201 LYS 201 200 200 LYS LYS F . n +F 1 202 VAL 202 201 201 VAL VAL F . n +F 1 203 ALA 203 202 202 ALA ALA F . n +F 1 204 TRP 204 203 203 TRP TRP F . n +F 1 205 VAL 205 204 204 VAL VAL F . n +F 1 206 PRO 206 205 205 PRO PRO F . n +F 1 207 ARG 207 206 206 ARG ARG F . n +F 1 208 HIS 208 207 207 HIS HIS F . n +F 1 209 TRP 209 208 208 TRP TRP F . n +F 1 210 ASP 210 209 209 ASP ASP F . n +F 1 211 LYS 211 210 210 LYS LYS F . n +F 1 212 ALA 212 211 211 ALA ALA F . n +F 1 213 THR 213 212 212 THR THR F . n +F 1 214 VAL 214 213 213 VAL VAL F . n +F 1 215 ASP 215 214 214 ASP ASP F . n +F 1 216 SER 216 215 215 SER SER F . n +F 1 217 GLY 217 216 216 GLY GLY F . n +F 1 218 VAL 218 217 217 VAL VAL F . n +F 1 219 GLY 219 218 218 GLY GLY F . n +F 1 220 ASN 220 219 219 ASN ASN F . n +F 1 221 PRO 221 220 220 PRO PRO F . n +F 1 222 LYS 222 221 221 LYS LYS F . n +F 1 223 LYS 223 222 222 LYS LYS F . n +F 1 224 ALA 224 223 223 ALA ALA F . n +F 1 225 THR 225 224 224 THR THR F . n +F 1 226 ALA 226 225 225 ALA ALA F . n +F 1 227 GLU 227 226 226 GLU GLU F . n +F 1 228 LYS 228 227 227 LYS LYS F . n +F 1 229 GLY 229 228 228 GLY GLY F . n +F 1 230 GLU 230 229 229 GLU GLU F . n +F 1 231 ARG 231 230 230 ARG ARG F . n +F 1 232 TYR 232 231 231 TYR TYR F . n +F 1 233 VAL 233 232 232 VAL VAL F . n +F 1 234 LYS 234 233 233 LYS LYS F . n +F 1 235 PRO 235 234 234 PRO PRO F . n +F 1 236 ILE 236 235 235 ILE ILE F . n +F 1 237 VAL 237 236 236 VAL VAL F . n +F 1 238 GLU 238 237 237 GLU GLU F . n +F 1 239 LYS 239 238 238 LYS LYS F . n +F 1 240 LEU 240 239 239 LEU LEU F . n +F 1 241 ALA 241 240 240 ALA ALA F . n +F 1 242 GLY 242 241 241 GLY GLY F . n +F 1 243 LEU 243 242 242 LEU LEU F . n +F 1 244 PHE 244 243 243 PHE PHE F . n +F 1 245 GLU 245 244 244 GLU GLU F . n +F 1 246 GLU 246 245 245 GLU GLU F . n +F 1 247 MSE 247 246 246 MSE MSE F . n +F 1 248 ALA 248 247 247 ALA ALA F . n +F 1 249 GLN 249 248 248 GLN GLN F . n +F 1 250 HIS 250 249 249 HIS HIS F . n +F 1 251 ASP 251 250 250 ASP ASP F . n +F 1 252 LEU 252 251 251 LEU LEU F . n +F 1 253 TYR 253 252 252 TYR TYR F . n +F 1 254 GLU 254 253 253 GLU GLU F . n +G 1 1 GLY 1 0 ? ? ? G . n +G 1 2 MSE 2 1 1 MSE MSE G . n +G 1 3 ASN 3 2 2 ASN ASN G . n +G 1 4 LYS 4 3 3 LYS LYS G . n +G 1 5 GLU 5 4 4 GLU GLU G . n +G 1 6 VAL 6 5 5 VAL VAL G . n +G 1 7 ASP 7 6 6 ASP ASP G . n +G 1 8 LEU 8 7 7 LEU LEU G . n +G 1 9 SER 9 8 8 SER SER G . n +G 1 10 VAL 10 9 9 VAL VAL G . n +G 1 11 SER 11 10 10 SER SER G . n +G 1 12 CYS 12 11 11 CYS CYS G . n +G 1 13 LEU 13 12 12 LEU LEU G . n +G 1 14 GLY 14 13 13 GLY GLY G . n +G 1 15 LYS 15 14 14 LYS LYS G . n +G 1 16 VAL 16 15 15 VAL VAL G . n +G 1 17 LYS 17 16 16 LYS LYS G . n +G 1 18 GLU 18 17 17 GLU GLU G . n +G 1 19 LEU 19 18 18 LEU LEU G . n +G 1 20 LYS 20 19 19 LYS LYS G . n +G 1 21 TYR 21 20 20 TYR TYR G . n +G 1 22 ASP 22 21 21 ASP ASP G . n +G 1 23 VAL 23 22 22 VAL VAL G . n +G 1 24 ILE 24 23 23 ILE ILE G . n +G 1 25 ILE 25 24 24 ILE ILE G . n +G 1 26 LEU 26 25 25 LEU LEU G . n +G 1 27 PRO 27 26 26 PRO PRO G . n +G 1 28 TRP 28 27 27 TRP TRP G . n +G 1 29 GLY 29 28 28 GLY GLY G . n +G 1 30 ALA 30 29 29 ALA ALA G . n +G 1 31 THR 31 30 30 THR THR G . n +G 1 32 GLU 32 31 31 GLU GLU G . n +G 1 33 PRO 33 32 32 PRO PRO G . n +G 1 34 HIS 34 33 33 HIS HIS G . n +G 1 35 ASN 35 34 34 ASN ASN G . n +G 1 36 LEU 36 35 35 LEU LEU G . n +G 1 37 HIS 37 36 36 HIS HIS G . n +G 1 38 LEU 38 37 37 LEU LEU G . n +G 1 39 PRO 39 38 38 PRO PRO G . n +G 1 40 TYR 40 39 39 TYR TYR G . n +G 1 41 LEU 41 40 40 LEU LEU G . n +G 1 42 THR 42 41 41 THR THR G . n +G 1 43 ASP 43 42 42 ASP ASP G . n +G 1 44 CYS 44 43 43 CYS CYS G . n +G 1 45 ILE 45 44 44 ILE ILE G . n +G 1 46 LEU 46 45 45 LEU LEU G . n +G 1 47 PRO 47 46 46 PRO PRO G . n +G 1 48 HIS 48 47 47 HIS HIS G . n +G 1 49 ASP 49 48 48 ASP ASP G . n +G 1 50 ILE 50 49 49 ILE ILE G . n +G 1 51 ALA 51 50 50 ALA ALA G . n +G 1 52 VAL 52 51 51 VAL VAL G . n +G 1 53 GLU 53 52 52 GLU GLU G . n +G 1 54 ALA 54 53 53 ALA ALA G . n +G 1 55 ALA 55 54 54 ALA ALA G . n +G 1 56 GLU 56 55 55 GLU GLU G . n +G 1 57 LEU 57 56 56 LEU LEU G . n +G 1 58 ALA 58 57 57 ALA ALA G . n +G 1 59 LEU 59 58 58 LEU LEU G . n +G 1 60 SER 60 59 59 SER SER G . n +G 1 61 ARG 61 60 60 ARG ARG G . n +G 1 62 SER 62 61 61 SER SER G . n +G 1 63 GLY 63 62 62 GLY GLY G . n +G 1 64 VAL 64 63 63 VAL VAL G . n +G 1 65 ARG 65 64 64 ARG ARG G . n +G 1 66 CYS 66 65 65 CYS CYS G . n +G 1 67 MSE 67 66 66 MSE MSE G . n +G 1 68 VAL 68 67 67 VAL VAL G . n +G 1 69 MSE 69 68 68 MSE MSE G . n +G 1 70 PRO 70 69 69 PRO PRO G . n +G 1 71 PRO 71 70 70 PRO PRO G . n +G 1 72 VAL 72 71 71 VAL VAL G . n +G 1 73 PRO 73 72 72 PRO PRO G . n +G 1 74 PHE 74 73 73 PHE PHE G . n +G 1 75 GLY 75 74 74 GLY GLY G . n +G 1 76 ALA 76 75 75 ALA ALA G . n +G 1 77 HIS 77 76 76 HIS HIS G . n +G 1 78 ASN 78 77 77 ASN ASN G . n +G 1 79 PRO 79 78 78 PRO PRO G . n +G 1 80 GLY 80 79 79 GLY GLY G . n +G 1 81 GLN 81 80 80 GLN GLN G . n +G 1 82 ARG 82 81 81 ARG ARG G . n +G 1 83 GLU 83 82 82 GLU GLU G . n +G 1 84 LEU 84 83 83 LEU LEU G . n +G 1 85 PRO 85 84 84 PRO PRO G . n +G 1 86 PHE 86 85 85 PHE PHE G . n +G 1 87 CYS 87 86 86 CYS CYS G . n +G 1 88 ILE 88 87 87 ILE ILE G . n +G 1 89 HIS 89 88 88 HIS HIS G . n +G 1 90 THR 90 89 89 THR THR G . n +G 1 91 ARG 91 90 90 ARG ARG G . n +G 1 92 TYR 92 91 91 TYR TYR G . n +G 1 93 ALA 93 92 92 ALA ALA G . n +G 1 94 THR 94 93 93 THR THR G . n +G 1 95 GLN 95 94 94 GLN GLN G . n +G 1 96 GLN 96 95 95 GLN GLN G . n +G 1 97 ALA 97 96 96 ALA ALA G . n +G 1 98 ILE 98 97 97 ILE ILE G . n +G 1 99 LEU 99 98 98 LEU LEU G . n +G 1 100 GLU 100 99 99 GLU GLU G . n +G 1 101 ASP 101 100 100 ASP ASP G . n +G 1 102 ILE 102 101 101 ILE ILE G . n +G 1 103 VAL 103 102 102 VAL VAL G . n +G 1 104 SER 104 103 103 SER SER G . n +G 1 105 SER 105 104 104 SER SER G . n +G 1 106 LEU 106 105 105 LEU LEU G . n +G 1 107 HIS 107 106 106 HIS HIS G . n +G 1 108 VAL 108 107 107 VAL VAL G . n +G 1 109 GLN 109 108 108 GLN GLN G . n +G 1 110 GLY 110 109 109 GLY GLY G . n +G 1 111 PHE 111 110 110 PHE PHE G . n +G 1 112 ARG 112 111 111 ARG ARG G . n +G 1 113 LYS 113 112 112 LYS LYS G . n +G 1 114 LEU 114 113 113 LEU LEU G . n +G 1 115 LEU 115 114 114 LEU LEU G . n +G 1 116 ILE 116 115 115 ILE ILE G . n +G 1 117 LEU 117 116 116 LEU LEU G . n +G 1 118 SER 118 117 117 SER SER G . n +G 1 119 GLY 119 118 118 GLY GLY G . n +G 1 120 HIS 120 119 119 HIS HIS G . n +G 1 121 GLY 121 120 120 GLY GLY G . n +G 1 122 GLY 122 121 121 GLY GLY G . n +G 1 123 ASN 123 122 122 ASN ASN G . n +G 1 124 ASN 124 123 123 ASN ASN G . n +G 1 125 PHE 125 124 124 PHE PHE G . n +G 1 126 LYS 126 125 125 LYS LYS G . n +G 1 127 GLY 127 126 126 GLY GLY G . n +G 1 128 MSE 128 127 127 MSE MSE G . n +G 1 129 ILE 129 128 128 ILE ILE G . n +G 1 130 ARG 130 129 129 ARG ARG G . n +G 1 131 ASP 131 130 130 ASP ASP G . n +G 1 132 LEU 132 131 131 LEU LEU G . n +G 1 133 ALA 133 132 132 ALA ALA G . n +G 1 134 PHE 134 133 133 PHE PHE G . n +G 1 135 GLU 135 134 134 GLU GLU G . n +G 1 136 TYR 136 135 135 TYR TYR G . n +G 1 137 PRO 137 136 136 PRO PRO G . n +G 1 138 ASP 138 137 137 ASP ASP G . n +G 1 139 PHE 139 138 138 PHE PHE G . n +G 1 140 LEU 140 139 139 LEU LEU G . n +G 1 141 ILE 141 140 140 ILE ILE G . n +G 1 142 ALA 142 141 141 ALA ALA G . n +G 1 143 ALA 143 142 142 ALA ALA G . n +G 1 144 ALA 144 143 143 ALA ALA G . n +G 1 145 ASN 145 144 144 ASN ASN G . n +G 1 146 TRP 146 145 145 TRP TRP G . n +G 1 147 PHE 147 146 146 PHE PHE G . n +G 1 148 GLU 148 147 147 GLU GLU G . n +G 1 149 VAL 149 148 148 VAL VAL G . n +G 1 150 VAL 150 149 149 VAL VAL G . n +G 1 151 SER 151 150 150 SER SER G . n +G 1 152 PRO 152 151 151 PRO PRO G . n +G 1 153 LYS 153 152 152 LYS LYS G . n +G 1 154 GLY 154 153 153 GLY GLY G . n +G 1 155 TYR 155 154 154 TYR TYR G . n +G 1 156 PHE 156 155 155 PHE PHE G . n +G 1 157 GLU 157 156 156 GLU GLU G . n +G 1 158 ALA 158 157 157 ALA ALA G . n +G 1 159 GLU 159 158 158 GLU GLU G . n +G 1 160 ILE 160 159 159 ILE ILE G . n +G 1 161 ASP 161 160 160 ASP ASP G . n +G 1 162 ASP 162 161 161 ASP ASP G . n +G 1 163 HIS 163 162 162 HIS HIS G . n +G 1 164 ALA 164 163 163 ALA ALA G . n +G 1 165 GLY 165 164 164 GLY GLY G . n +G 1 166 GLU 166 165 165 GLU GLU G . n +G 1 167 SER 167 166 166 SER SER G . n +G 1 168 GLU 168 167 167 GLU GLU G . n +G 1 169 THR 169 168 168 THR THR G . n +G 1 170 SER 170 169 169 SER SER G . n +G 1 171 VAL 171 170 170 VAL VAL G . n +G 1 172 MSE 172 171 171 MSE MSE G . n +G 1 173 MSE 173 172 172 MSE MSE G . n +G 1 174 HIS 174 173 173 HIS HIS G . n +G 1 175 TYR 175 174 174 TYR TYR G . n +G 1 176 HIS 176 175 175 HIS HIS G . n +G 1 177 PRO 177 176 176 PRO PRO G . n +G 1 178 GLU 178 177 177 GLU GLU G . n +G 1 179 LEU 179 178 178 LEU LEU G . n +G 1 180 VAL 180 179 179 VAL VAL G . n +G 1 181 ASN 181 180 180 ASN ASN G . n +G 1 182 LEU 182 181 181 LEU LEU G . n +G 1 183 ALA 183 182 182 ALA ALA G . n +G 1 184 GLU 184 183 183 GLU GLU G . n +G 1 185 ALA 185 184 184 ALA ALA G . n +G 1 186 GLY 186 185 185 GLY GLY G . n +G 1 187 ASP 187 186 186 ASP ASP G . n +G 1 188 GLY 188 187 187 GLY GLY G . n +G 1 189 GLU 189 188 188 GLU GLU G . n +G 1 190 SER 190 189 189 SER SER G . n +G 1 191 LYS 191 190 190 LYS LYS G . n +G 1 192 PRO 192 191 191 PRO PRO G . n +G 1 193 PHE 193 192 192 PHE PHE G . n +G 1 194 ALA 194 193 193 ALA ALA G . n +G 1 195 ILE 195 194 194 ILE ILE G . n +G 1 196 ALA 196 195 195 ALA ALA G . n +G 1 197 SER 197 196 196 SER SER G . n +G 1 198 LEU 198 197 197 LEU LEU G . n +G 1 199 ASN 199 198 198 ASN ASN G . n +G 1 200 GLU 200 199 199 GLU GLU G . n +G 1 201 LYS 201 200 200 LYS LYS G . n +G 1 202 VAL 202 201 201 VAL VAL G . n +G 1 203 ALA 203 202 202 ALA ALA G . n +G 1 204 TRP 204 203 203 TRP TRP G . n +G 1 205 VAL 205 204 204 VAL VAL G . n +G 1 206 PRO 206 205 205 PRO PRO G . n +G 1 207 ARG 207 206 206 ARG ARG G . n +G 1 208 HIS 208 207 207 HIS HIS G . n +G 1 209 TRP 209 208 208 TRP TRP G . n +G 1 210 ASP 210 209 209 ASP ASP G . n +G 1 211 LYS 211 210 210 LYS LYS G . n +G 1 212 ALA 212 211 211 ALA ALA G . n +G 1 213 THR 213 212 212 THR THR G . n +G 1 214 VAL 214 213 213 VAL VAL G . n +G 1 215 ASP 215 214 214 ASP ASP G . n +G 1 216 SER 216 215 215 SER SER G . n +G 1 217 GLY 217 216 216 GLY GLY G . n +G 1 218 VAL 218 217 217 VAL VAL G . n +G 1 219 GLY 219 218 218 GLY GLY G . n +G 1 220 ASN 220 219 219 ASN ASN G . n +G 1 221 PRO 221 220 220 PRO PRO G . n +G 1 222 LYS 222 221 221 LYS LYS G . n +G 1 223 LYS 223 222 222 LYS LYS G . n +G 1 224 ALA 224 223 223 ALA ALA G . n +G 1 225 THR 225 224 224 THR THR G . n +G 1 226 ALA 226 225 225 ALA ALA G . n +G 1 227 GLU 227 226 226 GLU GLU G . n +G 1 228 LYS 228 227 227 LYS LYS G . n +G 1 229 GLY 229 228 228 GLY GLY G . n +G 1 230 GLU 230 229 229 GLU GLU G . n +G 1 231 ARG 231 230 230 ARG ARG G . n +G 1 232 TYR 232 231 231 TYR TYR G . n +G 1 233 VAL 233 232 232 VAL VAL G . n +G 1 234 LYS 234 233 233 LYS LYS G . n +G 1 235 PRO 235 234 234 PRO PRO G . n +G 1 236 ILE 236 235 235 ILE ILE G . n +G 1 237 VAL 237 236 236 VAL VAL G . n +G 1 238 GLU 238 237 237 GLU GLU G . n +G 1 239 LYS 239 238 238 LYS LYS G . n +G 1 240 LEU 240 239 239 LEU LEU G . n +G 1 241 ALA 241 240 240 ALA ALA G . n +G 1 242 GLY 242 241 241 GLY GLY G . n +G 1 243 LEU 243 242 242 LEU LEU G . n +G 1 244 PHE 244 243 243 PHE PHE G . n +G 1 245 GLU 245 244 244 GLU GLU G . n +G 1 246 GLU 246 245 245 GLU GLU G . n +G 1 247 MSE 247 246 246 MSE MSE G . n +G 1 248 ALA 248 247 247 ALA ALA G . n +G 1 249 GLN 249 248 248 GLN GLN G . n +G 1 250 HIS 250 249 249 HIS HIS G . n +G 1 251 ASP 251 250 250 ASP ASP G . n +G 1 252 LEU 252 251 251 LEU LEU G . n +G 1 253 TYR 253 252 252 TYR TYR G . n +G 1 254 GLU 254 253 253 GLU GLU G . n +H 1 1 GLY 1 0 ? ? ? H . n +H 1 2 MSE 2 1 1 MSE MSE H . n +H 1 3 ASN 3 2 2 ASN ASN H . n +H 1 4 LYS 4 3 3 LYS LYS H . n +H 1 5 GLU 5 4 4 GLU GLU H . n +H 1 6 VAL 6 5 5 VAL VAL H . n +H 1 7 ASP 7 6 6 ASP ASP H . n +H 1 8 LEU 8 7 7 LEU LEU H . n +H 1 9 SER 9 8 8 SER SER H . n +H 1 10 VAL 10 9 9 VAL VAL H . n +H 1 11 SER 11 10 10 SER SER H . n +H 1 12 CYS 12 11 11 CYS CYS H . n +H 1 13 LEU 13 12 12 LEU LEU H . n +H 1 14 GLY 14 13 13 GLY GLY H . n +H 1 15 LYS 15 14 14 LYS LYS H . n +H 1 16 VAL 16 15 15 VAL VAL H . n +H 1 17 LYS 17 16 16 LYS LYS H . n +H 1 18 GLU 18 17 17 GLU GLU H . n +H 1 19 LEU 19 18 18 LEU LEU H . n +H 1 20 LYS 20 19 19 LYS LYS H . n +H 1 21 TYR 21 20 20 TYR TYR H . n +H 1 22 ASP 22 21 21 ASP ASP H . n +H 1 23 VAL 23 22 22 VAL VAL H . n +H 1 24 ILE 24 23 23 ILE ILE H . n +H 1 25 ILE 25 24 24 ILE ILE H . n +H 1 26 LEU 26 25 25 LEU LEU H . n +H 1 27 PRO 27 26 26 PRO PRO H . n +H 1 28 TRP 28 27 27 TRP TRP H . n +H 1 29 GLY 29 28 28 GLY GLY H . n +H 1 30 ALA 30 29 29 ALA ALA H . n +H 1 31 THR 31 30 30 THR THR H . n +H 1 32 GLU 32 31 31 GLU GLU H . n +H 1 33 PRO 33 32 32 PRO PRO H . n +H 1 34 HIS 34 33 33 HIS HIS H . n +H 1 35 ASN 35 34 34 ASN ASN H . n +H 1 36 LEU 36 35 35 LEU LEU H . n +H 1 37 HIS 37 36 36 HIS HIS H . n +H 1 38 LEU 38 37 37 LEU LEU H . n +H 1 39 PRO 39 38 38 PRO PRO H . n +H 1 40 TYR 40 39 39 TYR TYR H . n +H 1 41 LEU 41 40 40 LEU LEU H . n +H 1 42 THR 42 41 41 THR THR H . n +H 1 43 ASP 43 42 42 ASP ASP H . n +H 1 44 CYS 44 43 43 CYS CYS H . n +H 1 45 ILE 45 44 44 ILE ILE H . n +H 1 46 LEU 46 45 45 LEU LEU H . n +H 1 47 PRO 47 46 46 PRO PRO H . n +H 1 48 HIS 48 47 47 HIS HIS H . n +H 1 49 ASP 49 48 48 ASP ASP H . n +H 1 50 ILE 50 49 49 ILE ILE H . n +H 1 51 ALA 51 50 50 ALA ALA H . n +H 1 52 VAL 52 51 51 VAL VAL H . n +H 1 53 GLU 53 52 52 GLU GLU H . n +H 1 54 ALA 54 53 53 ALA ALA H . n +H 1 55 ALA 55 54 54 ALA ALA H . n +H 1 56 GLU 56 55 55 GLU GLU H . n +H 1 57 LEU 57 56 56 LEU LEU H . n +H 1 58 ALA 58 57 57 ALA ALA H . n +H 1 59 LEU 59 58 58 LEU LEU H . n +H 1 60 SER 60 59 59 SER SER H . n +H 1 61 ARG 61 60 60 ARG ARG H . n +H 1 62 SER 62 61 61 SER SER H . n +H 1 63 GLY 63 62 62 GLY GLY H . n +H 1 64 VAL 64 63 63 VAL VAL H . n +H 1 65 ARG 65 64 64 ARG ARG H . n +H 1 66 CYS 66 65 65 CYS CYS H . n +H 1 67 MSE 67 66 66 MSE MSE H . n +H 1 68 VAL 68 67 67 VAL VAL H . n +H 1 69 MSE 69 68 68 MSE MSE H . n +H 1 70 PRO 70 69 69 PRO PRO H . n +H 1 71 PRO 71 70 70 PRO PRO H . n +H 1 72 VAL 72 71 71 VAL VAL H . n +H 1 73 PRO 73 72 72 PRO PRO H . n +H 1 74 PHE 74 73 73 PHE PHE H . n +H 1 75 GLY 75 74 74 GLY GLY H . n +H 1 76 ALA 76 75 75 ALA ALA H . n +H 1 77 HIS 77 76 76 HIS HIS H . n +H 1 78 ASN 78 77 77 ASN ASN H . n +H 1 79 PRO 79 78 78 PRO PRO H . n +H 1 80 GLY 80 79 79 GLY GLY H . n +H 1 81 GLN 81 80 80 GLN GLN H . n +H 1 82 ARG 82 81 81 ARG ARG H . n +H 1 83 GLU 83 82 82 GLU GLU H . n +H 1 84 LEU 84 83 83 LEU LEU H . n +H 1 85 PRO 85 84 84 PRO PRO H . n +H 1 86 PHE 86 85 85 PHE PHE H . n +H 1 87 CYS 87 86 86 CYS CYS H . n +H 1 88 ILE 88 87 87 ILE ILE H . n +H 1 89 HIS 89 88 88 HIS HIS H . n +H 1 90 THR 90 89 89 THR THR H . n +H 1 91 ARG 91 90 90 ARG ARG H . n +H 1 92 TYR 92 91 91 TYR TYR H . n +H 1 93 ALA 93 92 92 ALA ALA H . n +H 1 94 THR 94 93 93 THR THR H . n +H 1 95 GLN 95 94 94 GLN GLN H . n +H 1 96 GLN 96 95 95 GLN GLN H . n +H 1 97 ALA 97 96 96 ALA ALA H . n +H 1 98 ILE 98 97 97 ILE ILE H . n +H 1 99 LEU 99 98 98 LEU LEU H . n +H 1 100 GLU 100 99 99 GLU GLU H . n +H 1 101 ASP 101 100 100 ASP ASP H . n +H 1 102 ILE 102 101 101 ILE ILE H . n +H 1 103 VAL 103 102 102 VAL VAL H . n +H 1 104 SER 104 103 103 SER SER H . n +H 1 105 SER 105 104 104 SER SER H . n +H 1 106 LEU 106 105 105 LEU LEU H . n +H 1 107 HIS 107 106 106 HIS HIS H . n +H 1 108 VAL 108 107 107 VAL VAL H . n +H 1 109 GLN 109 108 108 GLN GLN H . n +H 1 110 GLY 110 109 109 GLY GLY H . n +H 1 111 PHE 111 110 110 PHE PHE H . n +H 1 112 ARG 112 111 111 ARG ARG H . n +H 1 113 LYS 113 112 112 LYS LYS H . n +H 1 114 LEU 114 113 113 LEU LEU H . n +H 1 115 LEU 115 114 114 LEU LEU H . n +H 1 116 ILE 116 115 115 ILE ILE H . n +H 1 117 LEU 117 116 116 LEU LEU H . n +H 1 118 SER 118 117 117 SER SER H . n +H 1 119 GLY 119 118 118 GLY GLY H . n +H 1 120 HIS 120 119 119 HIS HIS H . n +H 1 121 GLY 121 120 120 GLY GLY H . n +H 1 122 GLY 122 121 121 GLY GLY H . n +H 1 123 ASN 123 122 122 ASN ASN H . n +H 1 124 ASN 124 123 123 ASN ASN H . n +H 1 125 PHE 125 124 124 PHE PHE H . n +H 1 126 LYS 126 125 125 LYS LYS H . n +H 1 127 GLY 127 126 126 GLY GLY H . n +H 1 128 MSE 128 127 127 MSE MSE H . n +H 1 129 ILE 129 128 128 ILE ILE H . n +H 1 130 ARG 130 129 129 ARG ARG H . n +H 1 131 ASP 131 130 130 ASP ASP H . n +H 1 132 LEU 132 131 131 LEU LEU H . n +H 1 133 ALA 133 132 132 ALA ALA H . n +H 1 134 PHE 134 133 133 PHE PHE H . n +H 1 135 GLU 135 134 134 GLU GLU H . n +H 1 136 TYR 136 135 135 TYR TYR H . n +H 1 137 PRO 137 136 136 PRO PRO H . n +H 1 138 ASP 138 137 137 ASP ASP H . n +H 1 139 PHE 139 138 138 PHE PHE H . n +H 1 140 LEU 140 139 139 LEU LEU H . n +H 1 141 ILE 141 140 140 ILE ILE H . n +H 1 142 ALA 142 141 141 ALA ALA H . n +H 1 143 ALA 143 142 142 ALA ALA H . n +H 1 144 ALA 144 143 143 ALA ALA H . n +H 1 145 ASN 145 144 144 ASN ASN H . n +H 1 146 TRP 146 145 145 TRP TRP H . n +H 1 147 PHE 147 146 146 PHE PHE H . n +H 1 148 GLU 148 147 147 GLU GLU H . n +H 1 149 VAL 149 148 148 VAL VAL H . n +H 1 150 VAL 150 149 149 VAL VAL H . n +H 1 151 SER 151 150 150 SER SER H . n +H 1 152 PRO 152 151 151 PRO PRO H . n +H 1 153 LYS 153 152 152 LYS LYS H . n +H 1 154 GLY 154 153 153 GLY GLY H . n +H 1 155 TYR 155 154 154 TYR TYR H . n +H 1 156 PHE 156 155 155 PHE PHE H . n +H 1 157 GLU 157 156 156 GLU GLU H . n +H 1 158 ALA 158 157 157 ALA ALA H . n +H 1 159 GLU 159 158 158 GLU GLU H . n +H 1 160 ILE 160 159 159 ILE ILE H . n +H 1 161 ASP 161 160 160 ASP ASP H . n +H 1 162 ASP 162 161 161 ASP ASP H . n +H 1 163 HIS 163 162 162 HIS HIS H . n +H 1 164 ALA 164 163 163 ALA ALA H . n +H 1 165 GLY 165 164 164 GLY GLY H . n +H 1 166 GLU 166 165 165 GLU GLU H . n +H 1 167 SER 167 166 166 SER SER H . n +H 1 168 GLU 168 167 167 GLU GLU H . n +H 1 169 THR 169 168 168 THR THR H . n +H 1 170 SER 170 169 169 SER SER H . n +H 1 171 VAL 171 170 170 VAL VAL H . n +H 1 172 MSE 172 171 171 MSE MSE H . n +H 1 173 MSE 173 172 172 MSE MSE H . n +H 1 174 HIS 174 173 173 HIS HIS H . n +H 1 175 TYR 175 174 174 TYR TYR H . n +H 1 176 HIS 176 175 175 HIS HIS H . n +H 1 177 PRO 177 176 176 PRO PRO H . n +H 1 178 GLU 178 177 177 GLU GLU H . n +H 1 179 LEU 179 178 178 LEU LEU H . n +H 1 180 VAL 180 179 179 VAL VAL H . n +H 1 181 ASN 181 180 180 ASN ASN H . n +H 1 182 LEU 182 181 181 LEU LEU H . n +H 1 183 ALA 183 182 182 ALA ALA H . n +H 1 184 GLU 184 183 183 GLU GLU H . n +H 1 185 ALA 185 184 184 ALA ALA H . n +H 1 186 GLY 186 185 185 GLY GLY H . n +H 1 187 ASP 187 186 186 ASP ASP H . n +H 1 188 GLY 188 187 187 GLY GLY H . n +H 1 189 GLU 189 188 188 GLU GLU H . n +H 1 190 SER 190 189 189 SER SER H . n +H 1 191 LYS 191 190 190 LYS LYS H . n +H 1 192 PRO 192 191 191 PRO PRO H . n +H 1 193 PHE 193 192 192 PHE PHE H . n +H 1 194 ALA 194 193 193 ALA ALA H . n +H 1 195 ILE 195 194 194 ILE ILE H . n +H 1 196 ALA 196 195 195 ALA ALA H . n +H 1 197 SER 197 196 196 SER SER H . n +H 1 198 LEU 198 197 197 LEU LEU H . n +H 1 199 ASN 199 198 198 ASN ASN H . n +H 1 200 GLU 200 199 199 GLU GLU H . n +H 1 201 LYS 201 200 200 LYS LYS H . n +H 1 202 VAL 202 201 201 VAL VAL H . n +H 1 203 ALA 203 202 202 ALA ALA H . n +H 1 204 TRP 204 203 203 TRP TRP H . n +H 1 205 VAL 205 204 204 VAL VAL H . n +H 1 206 PRO 206 205 205 PRO PRO H . n +H 1 207 ARG 207 206 206 ARG ARG H . n +H 1 208 HIS 208 207 207 HIS HIS H . n +H 1 209 TRP 209 208 208 TRP TRP H . n +H 1 210 ASP 210 209 209 ASP ASP H . n +H 1 211 LYS 211 210 210 LYS LYS H . n +H 1 212 ALA 212 211 211 ALA ALA H . n +H 1 213 THR 213 212 212 THR THR H . n +H 1 214 VAL 214 213 213 VAL VAL H . n +H 1 215 ASP 215 214 214 ASP ASP H . n +H 1 216 SER 216 215 215 SER SER H . n +H 1 217 GLY 217 216 216 GLY GLY H . n +H 1 218 VAL 218 217 217 VAL VAL H . n +H 1 219 GLY 219 218 218 GLY GLY H . n +H 1 220 ASN 220 219 219 ASN ASN H . n +H 1 221 PRO 221 220 220 PRO PRO H . n +H 1 222 LYS 222 221 221 LYS LYS H . n +H 1 223 LYS 223 222 222 LYS LYS H . n +H 1 224 ALA 224 223 223 ALA ALA H . n +H 1 225 THR 225 224 224 THR THR H . n +H 1 226 ALA 226 225 225 ALA ALA H . n +H 1 227 GLU 227 226 226 GLU GLU H . n +H 1 228 LYS 228 227 227 LYS LYS H . n +H 1 229 GLY 229 228 228 GLY GLY H . n +H 1 230 GLU 230 229 229 GLU GLU H . n +H 1 231 ARG 231 230 230 ARG ARG H . n +H 1 232 TYR 232 231 231 TYR TYR H . n +H 1 233 VAL 233 232 232 VAL VAL H . n +H 1 234 LYS 234 233 233 LYS LYS H . n +H 1 235 PRO 235 234 234 PRO PRO H . n +H 1 236 ILE 236 235 235 ILE ILE H . n +H 1 237 VAL 237 236 236 VAL VAL H . n +H 1 238 GLU 238 237 237 GLU GLU H . n +H 1 239 LYS 239 238 238 LYS LYS H . n +H 1 240 LEU 240 239 239 LEU LEU H . n +H 1 241 ALA 241 240 240 ALA ALA H . n +H 1 242 GLY 242 241 241 GLY GLY H . n +H 1 243 LEU 243 242 242 LEU LEU H . n +H 1 244 PHE 244 243 243 PHE PHE H . n +H 1 245 GLU 245 244 244 GLU GLU H . n +H 1 246 GLU 246 245 245 GLU GLU H . n +H 1 247 MSE 247 246 246 MSE MSE H . n +H 1 248 ALA 248 247 247 ALA ALA H . n +H 1 249 GLN 249 248 248 GLN GLN H . n +H 1 250 HIS 250 249 249 HIS HIS H . n +H 1 251 ASP 251 250 250 ASP ASP H . n +H 1 252 LEU 252 251 251 LEU LEU H . n +H 1 253 TYR 253 252 252 TYR TYR H . n +H 1 254 GLU 254 253 253 GLU GLU H . n +I 1 1 GLY 1 0 ? ? ? I . n +I 1 2 MSE 2 1 1 MSE MSE I . n +I 1 3 ASN 3 2 2 ASN ASN I . n +I 1 4 LYS 4 3 3 LYS LYS I . n +I 1 5 GLU 5 4 4 GLU GLU I . n +I 1 6 VAL 6 5 5 VAL VAL I . n +I 1 7 ASP 7 6 6 ASP ASP I . n +I 1 8 LEU 8 7 7 LEU LEU I . n +I 1 9 SER 9 8 8 SER SER I . n +I 1 10 VAL 10 9 9 VAL VAL I . n +I 1 11 SER 11 10 10 SER SER I . n +I 1 12 CYS 12 11 11 CYS CYS I . n +I 1 13 LEU 13 12 12 LEU LEU I . n +I 1 14 GLY 14 13 13 GLY GLY I . n +I 1 15 LYS 15 14 14 LYS LYS I . n +I 1 16 VAL 16 15 15 VAL VAL I . n +I 1 17 LYS 17 16 16 LYS LYS I . n +I 1 18 GLU 18 17 17 GLU GLU I . n +I 1 19 LEU 19 18 18 LEU LEU I . n +I 1 20 LYS 20 19 19 LYS LYS I . n +I 1 21 TYR 21 20 20 TYR TYR I . n +I 1 22 ASP 22 21 21 ASP ASP I . n +I 1 23 VAL 23 22 22 VAL VAL I . n +I 1 24 ILE 24 23 23 ILE ILE I . n +I 1 25 ILE 25 24 24 ILE ILE I . n +I 1 26 LEU 26 25 25 LEU LEU I . n +I 1 27 PRO 27 26 26 PRO PRO I . n +I 1 28 TRP 28 27 27 TRP TRP I . n +I 1 29 GLY 29 28 28 GLY GLY I . n +I 1 30 ALA 30 29 29 ALA ALA I . n +I 1 31 THR 31 30 30 THR THR I . n +I 1 32 GLU 32 31 31 GLU GLU I . n +I 1 33 PRO 33 32 32 PRO PRO I . n +I 1 34 HIS 34 33 33 HIS HIS I . n +I 1 35 ASN 35 34 34 ASN ASN I . n +I 1 36 LEU 36 35 35 LEU LEU I . n +I 1 37 HIS 37 36 36 HIS HIS I . n +I 1 38 LEU 38 37 37 LEU LEU I . n +I 1 39 PRO 39 38 38 PRO PRO I . n +I 1 40 TYR 40 39 39 TYR TYR I . n +I 1 41 LEU 41 40 40 LEU LEU I . n +I 1 42 THR 42 41 41 THR THR I . n +I 1 43 ASP 43 42 42 ASP ASP I . n +I 1 44 CYS 44 43 43 CYS CYS I . n +I 1 45 ILE 45 44 44 ILE ILE I . n +I 1 46 LEU 46 45 45 LEU LEU I . n +I 1 47 PRO 47 46 46 PRO PRO I . n +I 1 48 HIS 48 47 47 HIS HIS I . n +I 1 49 ASP 49 48 48 ASP ASP I . n +I 1 50 ILE 50 49 49 ILE ILE I . n +I 1 51 ALA 51 50 50 ALA ALA I . n +I 1 52 VAL 52 51 51 VAL VAL I . n +I 1 53 GLU 53 52 52 GLU GLU I . n +I 1 54 ALA 54 53 53 ALA ALA I . n +I 1 55 ALA 55 54 54 ALA ALA I . n +I 1 56 GLU 56 55 55 GLU GLU I . n +I 1 57 LEU 57 56 56 LEU LEU I . n +I 1 58 ALA 58 57 57 ALA ALA I . n +I 1 59 LEU 59 58 58 LEU LEU I . n +I 1 60 SER 60 59 59 SER SER I . n +I 1 61 ARG 61 60 60 ARG ARG I . n +I 1 62 SER 62 61 61 SER SER I . n +I 1 63 GLY 63 62 62 GLY GLY I . n +I 1 64 VAL 64 63 63 VAL VAL I . n +I 1 65 ARG 65 64 64 ARG ARG I . n +I 1 66 CYS 66 65 65 CYS CYS I . n +I 1 67 MSE 67 66 66 MSE MSE I . n +I 1 68 VAL 68 67 67 VAL VAL I . n +I 1 69 MSE 69 68 68 MSE MSE I . n +I 1 70 PRO 70 69 69 PRO PRO I . n +I 1 71 PRO 71 70 70 PRO PRO I . n +I 1 72 VAL 72 71 71 VAL VAL I . n +I 1 73 PRO 73 72 72 PRO PRO I . n +I 1 74 PHE 74 73 73 PHE PHE I . n +I 1 75 GLY 75 74 74 GLY GLY I . n +I 1 76 ALA 76 75 75 ALA ALA I . n +I 1 77 HIS 77 76 76 HIS HIS I . n +I 1 78 ASN 78 77 77 ASN ASN I . n +I 1 79 PRO 79 78 78 PRO PRO I . n +I 1 80 GLY 80 79 79 GLY GLY I . n +I 1 81 GLN 81 80 80 GLN GLN I . n +I 1 82 ARG 82 81 81 ARG ARG I . n +I 1 83 GLU 83 82 82 GLU GLU I . n +I 1 84 LEU 84 83 83 LEU LEU I . n +I 1 85 PRO 85 84 84 PRO PRO I . n +I 1 86 PHE 86 85 85 PHE PHE I . n +I 1 87 CYS 87 86 86 CYS CYS I . n +I 1 88 ILE 88 87 87 ILE ILE I . n +I 1 89 HIS 89 88 88 HIS HIS I . n +I 1 90 THR 90 89 89 THR THR I . n +I 1 91 ARG 91 90 90 ARG ARG I . n +I 1 92 TYR 92 91 91 TYR TYR I . n +I 1 93 ALA 93 92 92 ALA ALA I . n +I 1 94 THR 94 93 93 THR THR I . n +I 1 95 GLN 95 94 94 GLN GLN I . n +I 1 96 GLN 96 95 95 GLN GLN I . n +I 1 97 ALA 97 96 96 ALA ALA I . n +I 1 98 ILE 98 97 97 ILE ILE I . n +I 1 99 LEU 99 98 98 LEU LEU I . n +I 1 100 GLU 100 99 99 GLU GLU I . n +I 1 101 ASP 101 100 100 ASP ASP I . n +I 1 102 ILE 102 101 101 ILE ILE I . n +I 1 103 VAL 103 102 102 VAL VAL I . n +I 1 104 SER 104 103 103 SER SER I . n +I 1 105 SER 105 104 104 SER SER I . n +I 1 106 LEU 106 105 105 LEU LEU I . n +I 1 107 HIS 107 106 106 HIS HIS I . n +I 1 108 VAL 108 107 107 VAL VAL I . n +I 1 109 GLN 109 108 108 GLN GLN I . n +I 1 110 GLY 110 109 109 GLY GLY I . n +I 1 111 PHE 111 110 110 PHE PHE I . n +I 1 112 ARG 112 111 111 ARG ARG I . n +I 1 113 LYS 113 112 112 LYS LYS I . n +I 1 114 LEU 114 113 113 LEU LEU I . n +I 1 115 LEU 115 114 114 LEU LEU I . n +I 1 116 ILE 116 115 115 ILE ILE I . n +I 1 117 LEU 117 116 116 LEU LEU I . n +I 1 118 SER 118 117 117 SER SER I . n +I 1 119 GLY 119 118 118 GLY GLY I . n +I 1 120 HIS 120 119 119 HIS HIS I . n +I 1 121 GLY 121 120 120 GLY GLY I . n +I 1 122 GLY 122 121 121 GLY GLY I . n +I 1 123 ASN 123 122 122 ASN ASN I . n +I 1 124 ASN 124 123 123 ASN ASN I . n +I 1 125 PHE 125 124 124 PHE PHE I . n +I 1 126 LYS 126 125 125 LYS LYS I . n +I 1 127 GLY 127 126 126 GLY GLY I . n +I 1 128 MSE 128 127 127 MSE MSE I . n +I 1 129 ILE 129 128 128 ILE ILE I . n +I 1 130 ARG 130 129 129 ARG ARG I . n +I 1 131 ASP 131 130 130 ASP ASP I . n +I 1 132 LEU 132 131 131 LEU LEU I . n +I 1 133 ALA 133 132 132 ALA ALA I . n +I 1 134 PHE 134 133 133 PHE PHE I . n +I 1 135 GLU 135 134 134 GLU GLU I . n +I 1 136 TYR 136 135 135 TYR TYR I . n +I 1 137 PRO 137 136 136 PRO PRO I . n +I 1 138 ASP 138 137 137 ASP ASP I . n +I 1 139 PHE 139 138 138 PHE PHE I . n +I 1 140 LEU 140 139 139 LEU LEU I . n +I 1 141 ILE 141 140 140 ILE ILE I . n +I 1 142 ALA 142 141 141 ALA ALA I . n +I 1 143 ALA 143 142 142 ALA ALA I . n +I 1 144 ALA 144 143 143 ALA ALA I . n +I 1 145 ASN 145 144 144 ASN ASN I . n +I 1 146 TRP 146 145 145 TRP TRP I . n +I 1 147 PHE 147 146 146 PHE PHE I . n +I 1 148 GLU 148 147 147 GLU GLU I . n +I 1 149 VAL 149 148 148 VAL VAL I . n +I 1 150 VAL 150 149 149 VAL VAL I . n +I 1 151 SER 151 150 150 SER SER I . n +I 1 152 PRO 152 151 151 PRO PRO I . n +I 1 153 LYS 153 152 152 LYS LYS I . n +I 1 154 GLY 154 153 153 GLY GLY I . n +I 1 155 TYR 155 154 154 TYR TYR I . n +I 1 156 PHE 156 155 155 PHE PHE I . n +I 1 157 GLU 157 156 156 GLU GLU I . n +I 1 158 ALA 158 157 157 ALA ALA I . n +I 1 159 GLU 159 158 158 GLU GLU I . n +I 1 160 ILE 160 159 159 ILE ILE I . n +I 1 161 ASP 161 160 160 ASP ASP I . n +I 1 162 ASP 162 161 161 ASP ASP I . n +I 1 163 HIS 163 162 162 HIS HIS I . n +I 1 164 ALA 164 163 163 ALA ALA I . n +I 1 165 GLY 165 164 164 GLY GLY I . n +I 1 166 GLU 166 165 165 GLU GLU I . n +I 1 167 SER 167 166 166 SER SER I . n +I 1 168 GLU 168 167 167 GLU GLU I . n +I 1 169 THR 169 168 168 THR THR I . n +I 1 170 SER 170 169 169 SER SER I . n +I 1 171 VAL 171 170 170 VAL VAL I . n +I 1 172 MSE 172 171 171 MSE MSE I . n +I 1 173 MSE 173 172 172 MSE MSE I . n +I 1 174 HIS 174 173 173 HIS HIS I . n +I 1 175 TYR 175 174 174 TYR TYR I . n +I 1 176 HIS 176 175 175 HIS HIS I . n +I 1 177 PRO 177 176 176 PRO PRO I . n +I 1 178 GLU 178 177 177 GLU GLU I . n +I 1 179 LEU 179 178 178 LEU LEU I . n +I 1 180 VAL 180 179 179 VAL VAL I . n +I 1 181 ASN 181 180 180 ASN ASN I . n +I 1 182 LEU 182 181 181 LEU LEU I . n +I 1 183 ALA 183 182 182 ALA ALA I . n +I 1 184 GLU 184 183 183 GLU GLU I . n +I 1 185 ALA 185 184 184 ALA ALA I . n +I 1 186 GLY 186 185 185 GLY GLY I . n +I 1 187 ASP 187 186 186 ASP ASP I . n +I 1 188 GLY 188 187 187 GLY GLY I . n +I 1 189 GLU 189 188 188 GLU GLU I . n +I 1 190 SER 190 189 189 SER SER I . n +I 1 191 LYS 191 190 190 LYS LYS I . n +I 1 192 PRO 192 191 191 PRO PRO I . n +I 1 193 PHE 193 192 192 PHE PHE I . n +I 1 194 ALA 194 193 193 ALA ALA I . n +I 1 195 ILE 195 194 194 ILE ILE I . n +I 1 196 ALA 196 195 195 ALA ALA I . n +I 1 197 SER 197 196 196 SER SER I . n +I 1 198 LEU 198 197 197 LEU LEU I . n +I 1 199 ASN 199 198 198 ASN ASN I . n +I 1 200 GLU 200 199 199 GLU GLU I . n +I 1 201 LYS 201 200 200 LYS LYS I . n +I 1 202 VAL 202 201 201 VAL VAL I . n +I 1 203 ALA 203 202 202 ALA ALA I . n +I 1 204 TRP 204 203 203 TRP TRP I . n +I 1 205 VAL 205 204 204 VAL VAL I . n +I 1 206 PRO 206 205 205 PRO PRO I . n +I 1 207 ARG 207 206 206 ARG ARG I . n +I 1 208 HIS 208 207 207 HIS HIS I . n +I 1 209 TRP 209 208 208 TRP TRP I . n +I 1 210 ASP 210 209 209 ASP ASP I . n +I 1 211 LYS 211 210 210 LYS LYS I . n +I 1 212 ALA 212 211 211 ALA ALA I . n +I 1 213 THR 213 212 212 THR THR I . n +I 1 214 VAL 214 213 213 VAL VAL I . n +I 1 215 ASP 215 214 214 ASP ASP I . n +I 1 216 SER 216 215 215 SER SER I . n +I 1 217 GLY 217 216 216 GLY GLY I . n +I 1 218 VAL 218 217 217 VAL VAL I . n +I 1 219 GLY 219 218 218 GLY GLY I . n +I 1 220 ASN 220 219 219 ASN ASN I . n +I 1 221 PRO 221 220 220 PRO PRO I . n +I 1 222 LYS 222 221 221 LYS LYS I . n +I 1 223 LYS 223 222 222 LYS LYS I . n +I 1 224 ALA 224 223 223 ALA ALA I . n +I 1 225 THR 225 224 224 THR THR I . n +I 1 226 ALA 226 225 225 ALA ALA I . n +I 1 227 GLU 227 226 226 GLU GLU I . n +I 1 228 LYS 228 227 227 LYS LYS I . n +I 1 229 GLY 229 228 228 GLY GLY I . n +I 1 230 GLU 230 229 229 GLU GLU I . n +I 1 231 ARG 231 230 230 ARG ARG I . n +I 1 232 TYR 232 231 231 TYR TYR I . n +I 1 233 VAL 233 232 232 VAL VAL I . n +I 1 234 LYS 234 233 233 LYS LYS I . n +I 1 235 PRO 235 234 234 PRO PRO I . n +I 1 236 ILE 236 235 235 ILE ILE I . n +I 1 237 VAL 237 236 236 VAL VAL I . n +I 1 238 GLU 238 237 237 GLU GLU I . n +I 1 239 LYS 239 238 238 LYS LYS I . n +I 1 240 LEU 240 239 239 LEU LEU I . n +I 1 241 ALA 241 240 240 ALA ALA I . n +I 1 242 GLY 242 241 241 GLY GLY I . n +I 1 243 LEU 243 242 242 LEU LEU I . n +I 1 244 PHE 244 243 243 PHE PHE I . n +I 1 245 GLU 245 244 244 GLU GLU I . n +I 1 246 GLU 246 245 245 GLU GLU I . n +I 1 247 MSE 247 246 246 MSE MSE I . n +I 1 248 ALA 248 247 247 ALA ALA I . n +I 1 249 GLN 249 248 248 GLN GLN I . n +I 1 250 HIS 250 249 249 HIS HIS I . n +I 1 251 ASP 251 250 250 ASP ASP I . n +I 1 252 LEU 252 251 251 LEU LEU I . n +I 1 253 TYR 253 252 252 TYR TYR I . n +I 1 254 GLU 254 253 253 GLU GLU I . n +J 1 1 GLY 1 0 ? ? ? J . n +J 1 2 MSE 2 1 1 MSE MSE J . n +J 1 3 ASN 3 2 2 ASN ASN J . n +J 1 4 LYS 4 3 3 LYS LYS J . n +J 1 5 GLU 5 4 4 GLU GLU J . n +J 1 6 VAL 6 5 5 VAL VAL J . n +J 1 7 ASP 7 6 6 ASP ASP J . n +J 1 8 LEU 8 7 7 LEU LEU J . n +J 1 9 SER 9 8 8 SER SER J . n +J 1 10 VAL 10 9 9 VAL VAL J . n +J 1 11 SER 11 10 10 SER SER J . n +J 1 12 CYS 12 11 11 CYS CYS J . n +J 1 13 LEU 13 12 12 LEU LEU J . n +J 1 14 GLY 14 13 13 GLY GLY J . n +J 1 15 LYS 15 14 14 LYS LYS J . n +J 1 16 VAL 16 15 15 VAL VAL J . n +J 1 17 LYS 17 16 16 LYS LYS J . n +J 1 18 GLU 18 17 17 GLU GLU J . n +J 1 19 LEU 19 18 18 LEU LEU J . n +J 1 20 LYS 20 19 19 LYS LYS J . n +J 1 21 TYR 21 20 20 TYR TYR J . n +J 1 22 ASP 22 21 21 ASP ASP J . n +J 1 23 VAL 23 22 22 VAL VAL J . n +J 1 24 ILE 24 23 23 ILE ILE J . n +J 1 25 ILE 25 24 24 ILE ILE J . n +J 1 26 LEU 26 25 25 LEU LEU J . n +J 1 27 PRO 27 26 26 PRO PRO J . n +J 1 28 TRP 28 27 27 TRP TRP J . n +J 1 29 GLY 29 28 28 GLY GLY J . n +J 1 30 ALA 30 29 29 ALA ALA J . n +J 1 31 THR 31 30 30 THR THR J . n +J 1 32 GLU 32 31 31 GLU GLU J . n +J 1 33 PRO 33 32 32 PRO PRO J . n +J 1 34 HIS 34 33 33 HIS HIS J . n +J 1 35 ASN 35 34 34 ASN ASN J . n +J 1 36 LEU 36 35 35 LEU LEU J . n +J 1 37 HIS 37 36 36 HIS HIS J . n +J 1 38 LEU 38 37 37 LEU LEU J . n +J 1 39 PRO 39 38 38 PRO PRO J . n +J 1 40 TYR 40 39 39 TYR TYR J . n +J 1 41 LEU 41 40 40 LEU LEU J . n +J 1 42 THR 42 41 41 THR THR J . n +J 1 43 ASP 43 42 42 ASP ASP J . n +J 1 44 CYS 44 43 43 CYS CYS J . n +J 1 45 ILE 45 44 44 ILE ILE J . n +J 1 46 LEU 46 45 45 LEU LEU J . n +J 1 47 PRO 47 46 46 PRO PRO J . n +J 1 48 HIS 48 47 47 HIS HIS J . n +J 1 49 ASP 49 48 48 ASP ASP J . n +J 1 50 ILE 50 49 49 ILE ILE J . n +J 1 51 ALA 51 50 50 ALA ALA J . n +J 1 52 VAL 52 51 51 VAL VAL J . n +J 1 53 GLU 53 52 52 GLU GLU J . n +J 1 54 ALA 54 53 53 ALA ALA J . n +J 1 55 ALA 55 54 54 ALA ALA J . n +J 1 56 GLU 56 55 55 GLU GLU J . n +J 1 57 LEU 57 56 56 LEU LEU J . n +J 1 58 ALA 58 57 57 ALA ALA J . n +J 1 59 LEU 59 58 58 LEU LEU J . n +J 1 60 SER 60 59 59 SER SER J . n +J 1 61 ARG 61 60 60 ARG ARG J . n +J 1 62 SER 62 61 61 SER SER J . n +J 1 63 GLY 63 62 62 GLY GLY J . n +J 1 64 VAL 64 63 63 VAL VAL J . n +J 1 65 ARG 65 64 64 ARG ARG J . n +J 1 66 CYS 66 65 65 CYS CYS J . n +J 1 67 MSE 67 66 66 MSE MSE J . n +J 1 68 VAL 68 67 67 VAL VAL J . n +J 1 69 MSE 69 68 68 MSE MSE J . n +J 1 70 PRO 70 69 69 PRO PRO J . n +J 1 71 PRO 71 70 70 PRO PRO J . n +J 1 72 VAL 72 71 71 VAL VAL J . n +J 1 73 PRO 73 72 72 PRO PRO J . n +J 1 74 PHE 74 73 73 PHE PHE J . n +J 1 75 GLY 75 74 74 GLY GLY J . n +J 1 76 ALA 76 75 75 ALA ALA J . n +J 1 77 HIS 77 76 76 HIS HIS J . n +J 1 78 ASN 78 77 77 ASN ASN J . n +J 1 79 PRO 79 78 78 PRO PRO J . n +J 1 80 GLY 80 79 79 GLY GLY J . n +J 1 81 GLN 81 80 80 GLN GLN J . n +J 1 82 ARG 82 81 81 ARG ARG J . n +J 1 83 GLU 83 82 82 GLU GLU J . n +J 1 84 LEU 84 83 83 LEU LEU J . n +J 1 85 PRO 85 84 84 PRO PRO J . n +J 1 86 PHE 86 85 85 PHE PHE J . n +J 1 87 CYS 87 86 86 CYS CYS J . n +J 1 88 ILE 88 87 87 ILE ILE J . n +J 1 89 HIS 89 88 88 HIS HIS J . n +J 1 90 THR 90 89 89 THR THR J . n +J 1 91 ARG 91 90 90 ARG ARG J . n +J 1 92 TYR 92 91 91 TYR TYR J . n +J 1 93 ALA 93 92 92 ALA ALA J . n +J 1 94 THR 94 93 93 THR THR J . n +J 1 95 GLN 95 94 94 GLN GLN J . n +J 1 96 GLN 96 95 95 GLN GLN J . n +J 1 97 ALA 97 96 96 ALA ALA J . n +J 1 98 ILE 98 97 97 ILE ILE J . n +J 1 99 LEU 99 98 98 LEU LEU J . n +J 1 100 GLU 100 99 99 GLU GLU J . n +J 1 101 ASP 101 100 100 ASP ASP J . n +J 1 102 ILE 102 101 101 ILE ILE J . n +J 1 103 VAL 103 102 102 VAL VAL J . n +J 1 104 SER 104 103 103 SER SER J . n +J 1 105 SER 105 104 104 SER SER J . n +J 1 106 LEU 106 105 105 LEU LEU J . n +J 1 107 HIS 107 106 106 HIS HIS J . n +J 1 108 VAL 108 107 107 VAL VAL J . n +J 1 109 GLN 109 108 108 GLN GLN J . n +J 1 110 GLY 110 109 109 GLY GLY J . n +J 1 111 PHE 111 110 110 PHE PHE J . n +J 1 112 ARG 112 111 111 ARG ARG J . n +J 1 113 LYS 113 112 112 LYS LYS J . n +J 1 114 LEU 114 113 113 LEU LEU J . n +J 1 115 LEU 115 114 114 LEU LEU J . n +J 1 116 ILE 116 115 115 ILE ILE J . n +J 1 117 LEU 117 116 116 LEU LEU J . n +J 1 118 SER 118 117 117 SER SER J . n +J 1 119 GLY 119 118 118 GLY GLY J . n +J 1 120 HIS 120 119 119 HIS HIS J . n +J 1 121 GLY 121 120 120 GLY GLY J . n +J 1 122 GLY 122 121 121 GLY GLY J . n +J 1 123 ASN 123 122 122 ASN ASN J . n +J 1 124 ASN 124 123 123 ASN ASN J . n +J 1 125 PHE 125 124 124 PHE PHE J . n +J 1 126 LYS 126 125 125 LYS LYS J . n +J 1 127 GLY 127 126 126 GLY GLY J . n +J 1 128 MSE 128 127 127 MSE MSE J . n +J 1 129 ILE 129 128 128 ILE ILE J . n +J 1 130 ARG 130 129 129 ARG ARG J . n +J 1 131 ASP 131 130 130 ASP ASP J . n +J 1 132 LEU 132 131 131 LEU LEU J . n +J 1 133 ALA 133 132 132 ALA ALA J . n +J 1 134 PHE 134 133 133 PHE PHE J . n +J 1 135 GLU 135 134 134 GLU GLU J . n +J 1 136 TYR 136 135 135 TYR TYR J . n +J 1 137 PRO 137 136 136 PRO PRO J . n +J 1 138 ASP 138 137 137 ASP ASP J . n +J 1 139 PHE 139 138 138 PHE PHE J . n +J 1 140 LEU 140 139 139 LEU LEU J . n +J 1 141 ILE 141 140 140 ILE ILE J . n +J 1 142 ALA 142 141 141 ALA ALA J . n +J 1 143 ALA 143 142 142 ALA ALA J . n +J 1 144 ALA 144 143 143 ALA ALA J . n +J 1 145 ASN 145 144 144 ASN ASN J . n +J 1 146 TRP 146 145 145 TRP TRP J . n +J 1 147 PHE 147 146 146 PHE PHE J . n +J 1 148 GLU 148 147 147 GLU GLU J . n +J 1 149 VAL 149 148 148 VAL VAL J . n +J 1 150 VAL 150 149 149 VAL VAL J . n +J 1 151 SER 151 150 150 SER SER J . n +J 1 152 PRO 152 151 151 PRO PRO J . n +J 1 153 LYS 153 152 152 LYS LYS J . n +J 1 154 GLY 154 153 153 GLY GLY J . n +J 1 155 TYR 155 154 154 TYR TYR J . n +J 1 156 PHE 156 155 155 PHE PHE J . n +J 1 157 GLU 157 156 156 GLU GLU J . n +J 1 158 ALA 158 157 157 ALA ALA J . n +J 1 159 GLU 159 158 158 GLU GLU J . n +J 1 160 ILE 160 159 159 ILE ILE J . n +J 1 161 ASP 161 160 160 ASP ASP J . n +J 1 162 ASP 162 161 161 ASP ASP J . n +J 1 163 HIS 163 162 162 HIS HIS J . n +J 1 164 ALA 164 163 163 ALA ALA J . n +J 1 165 GLY 165 164 164 GLY GLY J . n +J 1 166 GLU 166 165 165 GLU GLU J . n +J 1 167 SER 167 166 166 SER SER J . n +J 1 168 GLU 168 167 167 GLU GLU J . n +J 1 169 THR 169 168 168 THR THR J . n +J 1 170 SER 170 169 169 SER SER J . n +J 1 171 VAL 171 170 170 VAL VAL J . n +J 1 172 MSE 172 171 171 MSE MSE J . n +J 1 173 MSE 173 172 172 MSE MSE J . n +J 1 174 HIS 174 173 173 HIS HIS J . n +J 1 175 TYR 175 174 174 TYR TYR J . n +J 1 176 HIS 176 175 175 HIS HIS J . n +J 1 177 PRO 177 176 176 PRO PRO J . n +J 1 178 GLU 178 177 177 GLU GLU J . n +J 1 179 LEU 179 178 178 LEU LEU J . n +J 1 180 VAL 180 179 179 VAL VAL J . n +J 1 181 ASN 181 180 180 ASN ASN J . n +J 1 182 LEU 182 181 181 LEU LEU J . n +J 1 183 ALA 183 182 182 ALA ALA J . n +J 1 184 GLU 184 183 183 GLU GLU J . n +J 1 185 ALA 185 184 184 ALA ALA J . n +J 1 186 GLY 186 185 185 GLY GLY J . n +J 1 187 ASP 187 186 186 ASP ASP J . n +J 1 188 GLY 188 187 187 GLY GLY J . n +J 1 189 GLU 189 188 188 GLU GLU J . n +J 1 190 SER 190 189 189 SER SER J . n +J 1 191 LYS 191 190 190 LYS LYS J . n +J 1 192 PRO 192 191 191 PRO PRO J . n +J 1 193 PHE 193 192 192 PHE PHE J . n +J 1 194 ALA 194 193 193 ALA ALA J . n +J 1 195 ILE 195 194 194 ILE ILE J . n +J 1 196 ALA 196 195 195 ALA ALA J . n +J 1 197 SER 197 196 196 SER SER J . n +J 1 198 LEU 198 197 197 LEU LEU J . n +J 1 199 ASN 199 198 198 ASN ASN J . n +J 1 200 GLU 200 199 199 GLU GLU J . n +J 1 201 LYS 201 200 200 LYS LYS J . n +J 1 202 VAL 202 201 201 VAL VAL J . n +J 1 203 ALA 203 202 202 ALA ALA J . n +J 1 204 TRP 204 203 203 TRP TRP J . n +J 1 205 VAL 205 204 204 VAL VAL J . n +J 1 206 PRO 206 205 205 PRO PRO J . n +J 1 207 ARG 207 206 206 ARG ARG J . n +J 1 208 HIS 208 207 207 HIS HIS J . n +J 1 209 TRP 209 208 208 TRP TRP J . n +J 1 210 ASP 210 209 209 ASP ASP J . n +J 1 211 LYS 211 210 210 LYS LYS J . n +J 1 212 ALA 212 211 211 ALA ALA J . n +J 1 213 THR 213 212 212 THR THR J . n +J 1 214 VAL 214 213 213 VAL VAL J . n +J 1 215 ASP 215 214 214 ASP ASP J . n +J 1 216 SER 216 215 215 SER SER J . n +J 1 217 GLY 217 216 216 GLY GLY J . n +J 1 218 VAL 218 217 217 VAL VAL J . n +J 1 219 GLY 219 218 218 GLY GLY J . n +J 1 220 ASN 220 219 219 ASN ASN J . n +J 1 221 PRO 221 220 220 PRO PRO J . n +J 1 222 LYS 222 221 221 LYS LYS J . n +J 1 223 LYS 223 222 222 LYS LYS J . n +J 1 224 ALA 224 223 223 ALA ALA J . n +J 1 225 THR 225 224 224 THR THR J . n +J 1 226 ALA 226 225 225 ALA ALA J . n +J 1 227 GLU 227 226 226 GLU GLU J . n +J 1 228 LYS 228 227 227 LYS LYS J . n +J 1 229 GLY 229 228 228 GLY GLY J . n +J 1 230 GLU 230 229 229 GLU GLU J . n +J 1 231 ARG 231 230 230 ARG ARG J . n +J 1 232 TYR 232 231 231 TYR TYR J . n +J 1 233 VAL 233 232 232 VAL VAL J . n +J 1 234 LYS 234 233 233 LYS LYS J . n +J 1 235 PRO 235 234 234 PRO PRO J . n +J 1 236 ILE 236 235 235 ILE ILE J . n +J 1 237 VAL 237 236 236 VAL VAL J . n +J 1 238 GLU 238 237 237 GLU GLU J . n +J 1 239 LYS 239 238 238 LYS LYS J . n +J 1 240 LEU 240 239 239 LEU LEU J . n +J 1 241 ALA 241 240 240 ALA ALA J . n +J 1 242 GLY 242 241 241 GLY GLY J . n +J 1 243 LEU 243 242 242 LEU LEU J . n +J 1 244 PHE 244 243 243 PHE PHE J . n +J 1 245 GLU 245 244 244 GLU GLU J . n +J 1 246 GLU 246 245 245 GLU GLU J . n +J 1 247 MSE 247 246 246 MSE MSE J . n +J 1 248 ALA 248 247 247 ALA ALA J . n +J 1 249 GLN 249 248 248 GLN GLN J . n +J 1 250 HIS 250 249 249 HIS HIS J . n +J 1 251 ASP 251 250 250 ASP ASP J . n +J 1 252 LEU 252 251 251 LEU LEU J . n +J 1 253 TYR 253 252 252 TYR TYR J . n +J 1 254 GLU 254 253 253 GLU GLU J . n +K 1 1 GLY 1 0 ? ? ? K . n +K 1 2 MSE 2 1 1 MSE MSE K . n +K 1 3 ASN 3 2 2 ASN ASN K . n +K 1 4 LYS 4 3 3 LYS LYS K . n +K 1 5 GLU 5 4 4 GLU GLU K . n +K 1 6 VAL 6 5 5 VAL VAL K . n +K 1 7 ASP 7 6 6 ASP ASP K . n +K 1 8 LEU 8 7 7 LEU LEU K . n +K 1 9 SER 9 8 8 SER SER K . n +K 1 10 VAL 10 9 9 VAL VAL K . n +K 1 11 SER 11 10 10 SER SER K . n +K 1 12 CYS 12 11 11 CYS CYS K . n +K 1 13 LEU 13 12 12 LEU LEU K . n +K 1 14 GLY 14 13 13 GLY GLY K . n +K 1 15 LYS 15 14 14 LYS LYS K . n +K 1 16 VAL 16 15 15 VAL VAL K . n +K 1 17 LYS 17 16 16 LYS LYS K . n +K 1 18 GLU 18 17 17 GLU GLU K . n +K 1 19 LEU 19 18 18 LEU LEU K . n +K 1 20 LYS 20 19 19 LYS LYS K . n +K 1 21 TYR 21 20 20 TYR TYR K . n +K 1 22 ASP 22 21 21 ASP ASP K . n +K 1 23 VAL 23 22 22 VAL VAL K . n +K 1 24 ILE 24 23 23 ILE ILE K . n +K 1 25 ILE 25 24 24 ILE ILE K . n +K 1 26 LEU 26 25 25 LEU LEU K . n +K 1 27 PRO 27 26 26 PRO PRO K . n +K 1 28 TRP 28 27 27 TRP TRP K . n +K 1 29 GLY 29 28 28 GLY GLY K . n +K 1 30 ALA 30 29 29 ALA ALA K . n +K 1 31 THR 31 30 30 THR THR K . n +K 1 32 GLU 32 31 31 GLU GLU K . n +K 1 33 PRO 33 32 32 PRO PRO K . n +K 1 34 HIS 34 33 33 HIS HIS K . n +K 1 35 ASN 35 34 34 ASN ASN K . n +K 1 36 LEU 36 35 35 LEU LEU K . n +K 1 37 HIS 37 36 36 HIS HIS K . n +K 1 38 LEU 38 37 37 LEU LEU K . n +K 1 39 PRO 39 38 38 PRO PRO K . n +K 1 40 TYR 40 39 39 TYR TYR K . n +K 1 41 LEU 41 40 40 LEU LEU K . n +K 1 42 THR 42 41 41 THR THR K . n +K 1 43 ASP 43 42 42 ASP ASP K . n +K 1 44 CYS 44 43 43 CYS CYS K . n +K 1 45 ILE 45 44 44 ILE ILE K . n +K 1 46 LEU 46 45 45 LEU LEU K . n +K 1 47 PRO 47 46 46 PRO PRO K . n +K 1 48 HIS 48 47 47 HIS HIS K . n +K 1 49 ASP 49 48 48 ASP ASP K . n +K 1 50 ILE 50 49 49 ILE ILE K . n +K 1 51 ALA 51 50 50 ALA ALA K . n +K 1 52 VAL 52 51 51 VAL VAL K . n +K 1 53 GLU 53 52 52 GLU GLU K . n +K 1 54 ALA 54 53 53 ALA ALA K . n +K 1 55 ALA 55 54 54 ALA ALA K . n +K 1 56 GLU 56 55 55 GLU GLU K . n +K 1 57 LEU 57 56 56 LEU LEU K . n +K 1 58 ALA 58 57 57 ALA ALA K . n +K 1 59 LEU 59 58 58 LEU LEU K . n +K 1 60 SER 60 59 59 SER SER K . n +K 1 61 ARG 61 60 60 ARG ARG K . n +K 1 62 SER 62 61 61 SER SER K . n +K 1 63 GLY 63 62 62 GLY GLY K . n +K 1 64 VAL 64 63 63 VAL VAL K . n +K 1 65 ARG 65 64 64 ARG ARG K . n +K 1 66 CYS 66 65 65 CYS CYS K . n +K 1 67 MSE 67 66 66 MSE MSE K . n +K 1 68 VAL 68 67 67 VAL VAL K . n +K 1 69 MSE 69 68 68 MSE MSE K . n +K 1 70 PRO 70 69 69 PRO PRO K . n +K 1 71 PRO 71 70 70 PRO PRO K . n +K 1 72 VAL 72 71 71 VAL VAL K . n +K 1 73 PRO 73 72 72 PRO PRO K . n +K 1 74 PHE 74 73 73 PHE PHE K . n +K 1 75 GLY 75 74 74 GLY GLY K . n +K 1 76 ALA 76 75 75 ALA ALA K . n +K 1 77 HIS 77 76 76 HIS HIS K . n +K 1 78 ASN 78 77 77 ASN ASN K . n +K 1 79 PRO 79 78 78 PRO PRO K . n +K 1 80 GLY 80 79 79 GLY GLY K . n +K 1 81 GLN 81 80 80 GLN GLN K . n +K 1 82 ARG 82 81 81 ARG ARG K . n +K 1 83 GLU 83 82 82 GLU GLU K . n +K 1 84 LEU 84 83 83 LEU LEU K . n +K 1 85 PRO 85 84 84 PRO PRO K . n +K 1 86 PHE 86 85 85 PHE PHE K . n +K 1 87 CYS 87 86 86 CYS CYS K . n +K 1 88 ILE 88 87 87 ILE ILE K . n +K 1 89 HIS 89 88 88 HIS HIS K . n +K 1 90 THR 90 89 89 THR THR K . n +K 1 91 ARG 91 90 90 ARG ARG K . n +K 1 92 TYR 92 91 91 TYR TYR K . n +K 1 93 ALA 93 92 92 ALA ALA K . n +K 1 94 THR 94 93 93 THR THR K . n +K 1 95 GLN 95 94 94 GLN GLN K . n +K 1 96 GLN 96 95 95 GLN GLN K . n +K 1 97 ALA 97 96 96 ALA ALA K . n +K 1 98 ILE 98 97 97 ILE ILE K . n +K 1 99 LEU 99 98 98 LEU LEU K . n +K 1 100 GLU 100 99 99 GLU GLU K . n +K 1 101 ASP 101 100 100 ASP ASP K . n +K 1 102 ILE 102 101 101 ILE ILE K . n +K 1 103 VAL 103 102 102 VAL VAL K . n +K 1 104 SER 104 103 103 SER SER K . n +K 1 105 SER 105 104 104 SER SER K . n +K 1 106 LEU 106 105 105 LEU LEU K . n +K 1 107 HIS 107 106 106 HIS HIS K . n +K 1 108 VAL 108 107 107 VAL VAL K . n +K 1 109 GLN 109 108 108 GLN GLN K . n +K 1 110 GLY 110 109 109 GLY GLY K . n +K 1 111 PHE 111 110 110 PHE PHE K . n +K 1 112 ARG 112 111 111 ARG ARG K . n +K 1 113 LYS 113 112 112 LYS LYS K . n +K 1 114 LEU 114 113 113 LEU LEU K . n +K 1 115 LEU 115 114 114 LEU LEU K . n +K 1 116 ILE 116 115 115 ILE ILE K . n +K 1 117 LEU 117 116 116 LEU LEU K . n +K 1 118 SER 118 117 117 SER SER K . n +K 1 119 GLY 119 118 118 GLY GLY K . n +K 1 120 HIS 120 119 119 HIS HIS K . n +K 1 121 GLY 121 120 120 GLY GLY K . n +K 1 122 GLY 122 121 121 GLY GLY K . n +K 1 123 ASN 123 122 122 ASN ASN K . n +K 1 124 ASN 124 123 123 ASN ASN K . n +K 1 125 PHE 125 124 124 PHE PHE K . n +K 1 126 LYS 126 125 125 LYS LYS K . n +K 1 127 GLY 127 126 126 GLY GLY K . n +K 1 128 MSE 128 127 127 MSE MSE K . n +K 1 129 ILE 129 128 128 ILE ILE K . n +K 1 130 ARG 130 129 129 ARG ARG K . n +K 1 131 ASP 131 130 130 ASP ASP K . n +K 1 132 LEU 132 131 131 LEU LEU K . n +K 1 133 ALA 133 132 132 ALA ALA K . n +K 1 134 PHE 134 133 133 PHE PHE K . n +K 1 135 GLU 135 134 134 GLU GLU K . n +K 1 136 TYR 136 135 135 TYR TYR K . n +K 1 137 PRO 137 136 136 PRO PRO K . n +K 1 138 ASP 138 137 137 ASP ASP K . n +K 1 139 PHE 139 138 138 PHE PHE K . n +K 1 140 LEU 140 139 139 LEU LEU K . n +K 1 141 ILE 141 140 140 ILE ILE K . n +K 1 142 ALA 142 141 141 ALA ALA K . n +K 1 143 ALA 143 142 142 ALA ALA K . n +K 1 144 ALA 144 143 143 ALA ALA K . n +K 1 145 ASN 145 144 144 ASN ASN K . n +K 1 146 TRP 146 145 145 TRP TRP K . n +K 1 147 PHE 147 146 146 PHE PHE K . n +K 1 148 GLU 148 147 147 GLU GLU K . n +K 1 149 VAL 149 148 148 VAL VAL K . n +K 1 150 VAL 150 149 149 VAL VAL K . n +K 1 151 SER 151 150 150 SER SER K . n +K 1 152 PRO 152 151 151 PRO PRO K . n +K 1 153 LYS 153 152 152 LYS LYS K . n +K 1 154 GLY 154 153 153 GLY GLY K . n +K 1 155 TYR 155 154 154 TYR TYR K . n +K 1 156 PHE 156 155 155 PHE PHE K . n +K 1 157 GLU 157 156 156 GLU GLU K . n +K 1 158 ALA 158 157 157 ALA ALA K . n +K 1 159 GLU 159 158 158 GLU GLU K . n +K 1 160 ILE 160 159 159 ILE ILE K . n +K 1 161 ASP 161 160 160 ASP ASP K . n +K 1 162 ASP 162 161 161 ASP ASP K . n +K 1 163 HIS 163 162 162 HIS HIS K . n +K 1 164 ALA 164 163 163 ALA ALA K . n +K 1 165 GLY 165 164 164 GLY GLY K . n +K 1 166 GLU 166 165 165 GLU GLU K . n +K 1 167 SER 167 166 166 SER SER K . n +K 1 168 GLU 168 167 167 GLU GLU K . n +K 1 169 THR 169 168 168 THR THR K . n +K 1 170 SER 170 169 169 SER SER K . n +K 1 171 VAL 171 170 170 VAL VAL K . n +K 1 172 MSE 172 171 171 MSE MSE K . n +K 1 173 MSE 173 172 172 MSE MSE K . n +K 1 174 HIS 174 173 173 HIS HIS K . n +K 1 175 TYR 175 174 174 TYR TYR K . n +K 1 176 HIS 176 175 175 HIS HIS K . n +K 1 177 PRO 177 176 176 PRO PRO K . n +K 1 178 GLU 178 177 177 GLU GLU K . n +K 1 179 LEU 179 178 178 LEU LEU K . n +K 1 180 VAL 180 179 179 VAL VAL K . n +K 1 181 ASN 181 180 180 ASN ASN K . n +K 1 182 LEU 182 181 181 LEU LEU K . n +K 1 183 ALA 183 182 182 ALA ALA K . n +K 1 184 GLU 184 183 183 GLU GLU K . n +K 1 185 ALA 185 184 184 ALA ALA K . n +K 1 186 GLY 186 185 185 GLY GLY K . n +K 1 187 ASP 187 186 186 ASP ASP K . n +K 1 188 GLY 188 187 187 GLY GLY K . n +K 1 189 GLU 189 188 188 GLU GLU K . n +K 1 190 SER 190 189 189 SER SER K . n +K 1 191 LYS 191 190 190 LYS LYS K . n +K 1 192 PRO 192 191 191 PRO PRO K . n +K 1 193 PHE 193 192 192 PHE PHE K . n +K 1 194 ALA 194 193 193 ALA ALA K . n +K 1 195 ILE 195 194 194 ILE ILE K . n +K 1 196 ALA 196 195 195 ALA ALA K . n +K 1 197 SER 197 196 196 SER SER K . n +K 1 198 LEU 198 197 197 LEU LEU K . n +K 1 199 ASN 199 198 198 ASN ASN K . n +K 1 200 GLU 200 199 199 GLU GLU K . n +K 1 201 LYS 201 200 200 LYS LYS K . n +K 1 202 VAL 202 201 201 VAL VAL K . n +K 1 203 ALA 203 202 202 ALA ALA K . n +K 1 204 TRP 204 203 203 TRP TRP K . n +K 1 205 VAL 205 204 204 VAL VAL K . n +K 1 206 PRO 206 205 205 PRO PRO K . n +K 1 207 ARG 207 206 206 ARG ARG K . n +K 1 208 HIS 208 207 207 HIS HIS K . n +K 1 209 TRP 209 208 208 TRP TRP K . n +K 1 210 ASP 210 209 209 ASP ASP K . n +K 1 211 LYS 211 210 210 LYS LYS K . n +K 1 212 ALA 212 211 211 ALA ALA K . n +K 1 213 THR 213 212 212 THR THR K . n +K 1 214 VAL 214 213 213 VAL VAL K . n +K 1 215 ASP 215 214 214 ASP ASP K . n +K 1 216 SER 216 215 215 SER SER K . n +K 1 217 GLY 217 216 216 GLY GLY K . n +K 1 218 VAL 218 217 217 VAL VAL K . n +K 1 219 GLY 219 218 218 GLY GLY K . n +K 1 220 ASN 220 219 219 ASN ASN K . n +K 1 221 PRO 221 220 220 PRO PRO K . n +K 1 222 LYS 222 221 221 LYS LYS K . n +K 1 223 LYS 223 222 222 LYS LYS K . n +K 1 224 ALA 224 223 223 ALA ALA K . n +K 1 225 THR 225 224 224 THR THR K . n +K 1 226 ALA 226 225 225 ALA ALA K . n +K 1 227 GLU 227 226 226 GLU GLU K . n +K 1 228 LYS 228 227 227 LYS LYS K . n +K 1 229 GLY 229 228 228 GLY GLY K . n +K 1 230 GLU 230 229 229 GLU GLU K . n +K 1 231 ARG 231 230 230 ARG ARG K . n +K 1 232 TYR 232 231 231 TYR TYR K . n +K 1 233 VAL 233 232 232 VAL VAL K . n +K 1 234 LYS 234 233 233 LYS LYS K . n +K 1 235 PRO 235 234 234 PRO PRO K . n +K 1 236 ILE 236 235 235 ILE ILE K . n +K 1 237 VAL 237 236 236 VAL VAL K . n +K 1 238 GLU 238 237 237 GLU GLU K . n +K 1 239 LYS 239 238 238 LYS LYS K . n +K 1 240 LEU 240 239 239 LEU LEU K . n +K 1 241 ALA 241 240 240 ALA ALA K . n +K 1 242 GLY 242 241 241 GLY GLY K . n +K 1 243 LEU 243 242 242 LEU LEU K . n +K 1 244 PHE 244 243 243 PHE PHE K . n +K 1 245 GLU 245 244 244 GLU GLU K . n +K 1 246 GLU 246 245 245 GLU GLU K . n +K 1 247 MSE 247 246 246 MSE MSE K . n +K 1 248 ALA 248 247 247 ALA ALA K . n +K 1 249 GLN 249 248 248 GLN GLN K . n +K 1 250 HIS 250 249 249 HIS HIS K . n +K 1 251 ASP 251 250 250 ASP ASP K . n +K 1 252 LEU 252 251 251 LEU LEU K . n +K 1 253 TYR 253 252 252 TYR TYR K . n +K 1 254 GLU 254 253 253 GLU GLU K . n +L 1 1 GLY 1 0 ? ? ? L . n +L 1 2 MSE 2 1 1 MSE MSE L . n +L 1 3 ASN 3 2 2 ASN ASN L . n +L 1 4 LYS 4 3 3 LYS LYS L . n +L 1 5 GLU 5 4 4 GLU GLU L . n +L 1 6 VAL 6 5 5 VAL VAL L . n +L 1 7 ASP 7 6 6 ASP ASP L . n +L 1 8 LEU 8 7 7 LEU LEU L . n +L 1 9 SER 9 8 8 SER SER L . n +L 1 10 VAL 10 9 9 VAL VAL L . n +L 1 11 SER 11 10 10 SER SER L . n +L 1 12 CYS 12 11 11 CYS CYS L . n +L 1 13 LEU 13 12 12 LEU LEU L . n +L 1 14 GLY 14 13 13 GLY GLY L . n +L 1 15 LYS 15 14 14 LYS LYS L . n +L 1 16 VAL 16 15 15 VAL VAL L . n +L 1 17 LYS 17 16 16 LYS LYS L . n +L 1 18 GLU 18 17 17 GLU GLU L . n +L 1 19 LEU 19 18 18 LEU LEU L . n +L 1 20 LYS 20 19 19 LYS LYS L . n +L 1 21 TYR 21 20 20 TYR TYR L . n +L 1 22 ASP 22 21 21 ASP ASP L . n +L 1 23 VAL 23 22 22 VAL VAL L . n +L 1 24 ILE 24 23 23 ILE ILE L . n +L 1 25 ILE 25 24 24 ILE ILE L . n +L 1 26 LEU 26 25 25 LEU LEU L . n +L 1 27 PRO 27 26 26 PRO PRO L . n +L 1 28 TRP 28 27 27 TRP TRP L . n +L 1 29 GLY 29 28 28 GLY GLY L . n +L 1 30 ALA 30 29 29 ALA ALA L . n +L 1 31 THR 31 30 30 THR THR L . n +L 1 32 GLU 32 31 31 GLU GLU L . n +L 1 33 PRO 33 32 32 PRO PRO L . n +L 1 34 HIS 34 33 33 HIS HIS L . n +L 1 35 ASN 35 34 34 ASN ASN L . n +L 1 36 LEU 36 35 35 LEU LEU L . n +L 1 37 HIS 37 36 36 HIS HIS L . n +L 1 38 LEU 38 37 37 LEU LEU L . n +L 1 39 PRO 39 38 38 PRO PRO L . n +L 1 40 TYR 40 39 39 TYR TYR L . n +L 1 41 LEU 41 40 40 LEU LEU L . n +L 1 42 THR 42 41 41 THR THR L . n +L 1 43 ASP 43 42 42 ASP ASP L . n +L 1 44 CYS 44 43 43 CYS CYS L . n +L 1 45 ILE 45 44 44 ILE ILE L . n +L 1 46 LEU 46 45 45 LEU LEU L . n +L 1 47 PRO 47 46 46 PRO PRO L . n +L 1 48 HIS 48 47 47 HIS HIS L . n +L 1 49 ASP 49 48 48 ASP ASP L . n +L 1 50 ILE 50 49 49 ILE ILE L . n +L 1 51 ALA 51 50 50 ALA ALA L . n +L 1 52 VAL 52 51 51 VAL VAL L . n +L 1 53 GLU 53 52 52 GLU GLU L . n +L 1 54 ALA 54 53 53 ALA ALA L . n +L 1 55 ALA 55 54 54 ALA ALA L . n +L 1 56 GLU 56 55 55 GLU GLU L . n +L 1 57 LEU 57 56 56 LEU LEU L . n +L 1 58 ALA 58 57 57 ALA ALA L . n +L 1 59 LEU 59 58 58 LEU LEU L . n +L 1 60 SER 60 59 59 SER SER L . n +L 1 61 ARG 61 60 60 ARG ARG L . n +L 1 62 SER 62 61 61 SER SER L . n +L 1 63 GLY 63 62 62 GLY GLY L . n +L 1 64 VAL 64 63 63 VAL VAL L . n +L 1 65 ARG 65 64 64 ARG ARG L . n +L 1 66 CYS 66 65 65 CYS CYS L . n +L 1 67 MSE 67 66 66 MSE MSE L . n +L 1 68 VAL 68 67 67 VAL VAL L . n +L 1 69 MSE 69 68 68 MSE MSE L . n +L 1 70 PRO 70 69 69 PRO PRO L . n +L 1 71 PRO 71 70 70 PRO PRO L . n +L 1 72 VAL 72 71 71 VAL VAL L . n +L 1 73 PRO 73 72 72 PRO PRO L . n +L 1 74 PHE 74 73 73 PHE PHE L . n +L 1 75 GLY 75 74 74 GLY GLY L . n +L 1 76 ALA 76 75 75 ALA ALA L . n +L 1 77 HIS 77 76 76 HIS HIS L . n +L 1 78 ASN 78 77 77 ASN ASN L . n +L 1 79 PRO 79 78 78 PRO PRO L . n +L 1 80 GLY 80 79 79 GLY GLY L . n +L 1 81 GLN 81 80 80 GLN GLN L . n +L 1 82 ARG 82 81 81 ARG ARG L . n +L 1 83 GLU 83 82 82 GLU GLU L . n +L 1 84 LEU 84 83 83 LEU LEU L . n +L 1 85 PRO 85 84 84 PRO PRO L . n +L 1 86 PHE 86 85 85 PHE PHE L . n +L 1 87 CYS 87 86 86 CYS CYS L . n +L 1 88 ILE 88 87 87 ILE ILE L . n +L 1 89 HIS 89 88 88 HIS HIS L . n +L 1 90 THR 90 89 89 THR THR L . n +L 1 91 ARG 91 90 90 ARG ARG L . n +L 1 92 TYR 92 91 91 TYR TYR L . n +L 1 93 ALA 93 92 92 ALA ALA L . n +L 1 94 THR 94 93 93 THR THR L . n +L 1 95 GLN 95 94 94 GLN GLN L . n +L 1 96 GLN 96 95 95 GLN GLN L . n +L 1 97 ALA 97 96 96 ALA ALA L . n +L 1 98 ILE 98 97 97 ILE ILE L . n +L 1 99 LEU 99 98 98 LEU LEU L . n +L 1 100 GLU 100 99 99 GLU GLU L . n +L 1 101 ASP 101 100 100 ASP ASP L . n +L 1 102 ILE 102 101 101 ILE ILE L . n +L 1 103 VAL 103 102 102 VAL VAL L . n +L 1 104 SER 104 103 103 SER SER L . n +L 1 105 SER 105 104 104 SER SER L . n +L 1 106 LEU 106 105 105 LEU LEU L . n +L 1 107 HIS 107 106 106 HIS HIS L . n +L 1 108 VAL 108 107 107 VAL VAL L . n +L 1 109 GLN 109 108 108 GLN GLN L . n +L 1 110 GLY 110 109 109 GLY GLY L . n +L 1 111 PHE 111 110 110 PHE PHE L . n +L 1 112 ARG 112 111 111 ARG ARG L . n +L 1 113 LYS 113 112 112 LYS LYS L . n +L 1 114 LEU 114 113 113 LEU LEU L . n +L 1 115 LEU 115 114 114 LEU LEU L . n +L 1 116 ILE 116 115 115 ILE ILE L . n +L 1 117 LEU 117 116 116 LEU LEU L . n +L 1 118 SER 118 117 117 SER SER L . n +L 1 119 GLY 119 118 118 GLY GLY L . n +L 1 120 HIS 120 119 119 HIS HIS L . n +L 1 121 GLY 121 120 120 GLY GLY L . n +L 1 122 GLY 122 121 121 GLY GLY L . n +L 1 123 ASN 123 122 122 ASN ASN L . n +L 1 124 ASN 124 123 123 ASN ASN L . n +L 1 125 PHE 125 124 124 PHE PHE L . n +L 1 126 LYS 126 125 125 LYS LYS L . n +L 1 127 GLY 127 126 126 GLY GLY L . n +L 1 128 MSE 128 127 127 MSE MSE L . n +L 1 129 ILE 129 128 128 ILE ILE L . n +L 1 130 ARG 130 129 129 ARG ARG L . n +L 1 131 ASP 131 130 130 ASP ASP L . n +L 1 132 LEU 132 131 131 LEU LEU L . n +L 1 133 ALA 133 132 132 ALA ALA L . n +L 1 134 PHE 134 133 133 PHE PHE L . n +L 1 135 GLU 135 134 134 GLU GLU L . n +L 1 136 TYR 136 135 135 TYR TYR L . n +L 1 137 PRO 137 136 136 PRO PRO L . n +L 1 138 ASP 138 137 137 ASP ASP L . n +L 1 139 PHE 139 138 138 PHE PHE L . n +L 1 140 LEU 140 139 139 LEU LEU L . n +L 1 141 ILE 141 140 140 ILE ILE L . n +L 1 142 ALA 142 141 141 ALA ALA L . n +L 1 143 ALA 143 142 142 ALA ALA L . n +L 1 144 ALA 144 143 143 ALA ALA L . n +L 1 145 ASN 145 144 144 ASN ASN L . n +L 1 146 TRP 146 145 145 TRP TRP L . n +L 1 147 PHE 147 146 146 PHE PHE L . n +L 1 148 GLU 148 147 147 GLU GLU L . n +L 1 149 VAL 149 148 148 VAL VAL L . n +L 1 150 VAL 150 149 149 VAL VAL L . n +L 1 151 SER 151 150 150 SER SER L . n +L 1 152 PRO 152 151 151 PRO PRO L . n +L 1 153 LYS 153 152 152 LYS LYS L . n +L 1 154 GLY 154 153 153 GLY GLY L . n +L 1 155 TYR 155 154 154 TYR TYR L . n +L 1 156 PHE 156 155 155 PHE PHE L . n +L 1 157 GLU 157 156 156 GLU GLU L . n +L 1 158 ALA 158 157 157 ALA ALA L . n +L 1 159 GLU 159 158 158 GLU GLU L . n +L 1 160 ILE 160 159 159 ILE ILE L . n +L 1 161 ASP 161 160 160 ASP ASP L . n +L 1 162 ASP 162 161 161 ASP ASP L . n +L 1 163 HIS 163 162 162 HIS HIS L . n +L 1 164 ALA 164 163 163 ALA ALA L . n +L 1 165 GLY 165 164 164 GLY GLY L . n +L 1 166 GLU 166 165 165 GLU GLU L . n +L 1 167 SER 167 166 166 SER SER L . n +L 1 168 GLU 168 167 167 GLU GLU L . n +L 1 169 THR 169 168 168 THR THR L . n +L 1 170 SER 170 169 169 SER SER L . n +L 1 171 VAL 171 170 170 VAL VAL L . n +L 1 172 MSE 172 171 171 MSE MSE L . n +L 1 173 MSE 173 172 172 MSE MSE L . n +L 1 174 HIS 174 173 173 HIS HIS L . n +L 1 175 TYR 175 174 174 TYR TYR L . n +L 1 176 HIS 176 175 175 HIS HIS L . n +L 1 177 PRO 177 176 176 PRO PRO L . n +L 1 178 GLU 178 177 177 GLU GLU L . n +L 1 179 LEU 179 178 178 LEU LEU L . n +L 1 180 VAL 180 179 179 VAL VAL L . n +L 1 181 ASN 181 180 180 ASN ASN L . n +L 1 182 LEU 182 181 181 LEU LEU L . n +L 1 183 ALA 183 182 182 ALA ALA L . n +L 1 184 GLU 184 183 183 GLU GLU L . n +L 1 185 ALA 185 184 184 ALA ALA L . n +L 1 186 GLY 186 185 185 GLY GLY L . n +L 1 187 ASP 187 186 186 ASP ASP L . n +L 1 188 GLY 188 187 187 GLY GLY L . n +L 1 189 GLU 189 188 188 GLU GLU L . n +L 1 190 SER 190 189 189 SER SER L . n +L 1 191 LYS 191 190 190 LYS LYS L . n +L 1 192 PRO 192 191 191 PRO PRO L . n +L 1 193 PHE 193 192 192 PHE PHE L . n +L 1 194 ALA 194 193 193 ALA ALA L . n +L 1 195 ILE 195 194 194 ILE ILE L . n +L 1 196 ALA 196 195 195 ALA ALA L . n +L 1 197 SER 197 196 196 SER SER L . n +L 1 198 LEU 198 197 197 LEU LEU L . n +L 1 199 ASN 199 198 198 ASN ASN L . n +L 1 200 GLU 200 199 199 GLU GLU L . n +L 1 201 LYS 201 200 200 LYS LYS L . n +L 1 202 VAL 202 201 201 VAL VAL L . n +L 1 203 ALA 203 202 202 ALA ALA L . n +L 1 204 TRP 204 203 203 TRP TRP L . n +L 1 205 VAL 205 204 204 VAL VAL L . n +L 1 206 PRO 206 205 205 PRO PRO L . n +L 1 207 ARG 207 206 206 ARG ARG L . n +L 1 208 HIS 208 207 207 HIS HIS L . n +L 1 209 TRP 209 208 208 TRP TRP L . n +L 1 210 ASP 210 209 209 ASP ASP L . n +L 1 211 LYS 211 210 210 LYS LYS L . n +L 1 212 ALA 212 211 211 ALA ALA L . n +L 1 213 THR 213 212 212 THR THR L . n +L 1 214 VAL 214 213 213 VAL VAL L . n +L 1 215 ASP 215 214 214 ASP ASP L . n +L 1 216 SER 216 215 215 SER SER L . n +L 1 217 GLY 217 216 216 GLY GLY L . n +L 1 218 VAL 218 217 217 VAL VAL L . n +L 1 219 GLY 219 218 218 GLY GLY L . n +L 1 220 ASN 220 219 219 ASN ASN L . n +L 1 221 PRO 221 220 220 PRO PRO L . n +L 1 222 LYS 222 221 221 LYS LYS L . n +L 1 223 LYS 223 222 222 LYS LYS L . n +L 1 224 ALA 224 223 223 ALA ALA L . n +L 1 225 THR 225 224 224 THR THR L . n +L 1 226 ALA 226 225 225 ALA ALA L . n +L 1 227 GLU 227 226 226 GLU GLU L . n +L 1 228 LYS 228 227 227 LYS LYS L . n +L 1 229 GLY 229 228 228 GLY GLY L . n +L 1 230 GLU 230 229 229 GLU GLU L . n +L 1 231 ARG 231 230 230 ARG ARG L . n +L 1 232 TYR 232 231 231 TYR TYR L . n +L 1 233 VAL 233 232 232 VAL VAL L . n +L 1 234 LYS 234 233 233 LYS LYS L . n +L 1 235 PRO 235 234 234 PRO PRO L . n +L 1 236 ILE 236 235 235 ILE ILE L . n +L 1 237 VAL 237 236 236 VAL VAL L . n +L 1 238 GLU 238 237 237 GLU GLU L . n +L 1 239 LYS 239 238 238 LYS LYS L . n +L 1 240 LEU 240 239 239 LEU LEU L . n +L 1 241 ALA 241 240 240 ALA ALA L . n +L 1 242 GLY 242 241 241 GLY GLY L . n +L 1 243 LEU 243 242 242 LEU LEU L . n +L 1 244 PHE 244 243 243 PHE PHE L . n +L 1 245 GLU 245 244 244 GLU GLU L . n +L 1 246 GLU 246 245 245 GLU GLU L . n +L 1 247 MSE 247 246 246 MSE MSE L . n +L 1 248 ALA 248 247 247 ALA ALA L . n +L 1 249 GLN 249 248 248 GLN GLN L . n +L 1 250 HIS 250 249 249 HIS HIS L . n +L 1 251 ASP 251 250 250 ASP ASP L . n +L 1 252 LEU 252 251 251 LEU LEU L . n +L 1 253 TYR 253 252 252 TYR TYR L . n +L 1 254 GLU 254 253 253 GLU GLU L . n +# +_pdbx_SG_project.project_name 'PSI, Protein Structure Initiative' +_pdbx_SG_project.full_name_of_center 'Joint Center for Structural Genomics' +_pdbx_SG_project.id 1 +_pdbx_SG_project.initial_of_center JCSG +# +loop_ +_pdbx_struct_assembly.id +_pdbx_struct_assembly.details +_pdbx_struct_assembly.method_details +_pdbx_struct_assembly.oligomeric_details +_pdbx_struct_assembly.oligomeric_count +1 author_and_software_defined_assembly PISA hexameric 6 +2 author_and_software_defined_assembly PISA hexameric 6 +# +loop_ +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +_pdbx_struct_assembly_gen.asym_id_list +1 1 A,M,N,O,P,UB,B,Q,R,S,T,VB,C,U,V,W,X,Y,Z,WB,D,AA,BA,CA,DA,EA,FA,GA,XB,E,HA,IA,JA,KA,LA,MA,NA,YB,F,OA,PA,QA,RA,ZB +2 1 G,SA,TA,UA,VA,WA,AC,H,XA,YA,ZA,BC,I,AB,BB,CB,DB,EB,CC,J,FB,GB,HB,IB,JB,DC,K,KB,LB,MB,NB,OB,EC,L,PB,QB,RB,SB,TB,FC +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 31920 ? +1 'SSA (A^2)' 50060 ? +1 MORE -783 ? +2 'ABSA (A^2)' 31400 ? +2 'SSA (A^2)' 49970 ? +2 MORE -761 ? +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +_phasing.method SAD +# +loop_ +_software.name +_software.version +_software.date +_software.type +_software.contact_author +_software.contact_author_email +_software.classification +_software.location +_software.language +_software.citation_id +_software.pdbx_ordinal +MOLPROBITY 3beta29 ? package 'D.C. & J.S. Richardson lab' molprobity@kinemage.biochem.duke.edu validation +http://kinemage.biochem.duke.edu/molprobity/ ? ? 1 +phenix ? ? package 'P.D. Adams' PDAdams@lbl.gov refinement +http://www.phenix-online.org/ C++ ? 2 +SHELX ? ? package 'George M. Sheldrick' gsheldr@shelx.uni-ac.gwdg.de phasing +http://shelx.uni-ac.gwdg.de/SHELX/ Fortran_77 ? 3 +REFMAC5 5.2.0019 ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement +http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 4 +Xscale ? ? package 'Wolfgang Kabsch' ? 'data processing' +http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xscale_program.html ? ? 5 +pdb_extract 3.006 'June 11, 2008' package PDB help@deposit.rcsb.org 'data extraction' +http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 6 +# +_pdbx_prerelease_seq.entity_id 1 +_pdbx_prerelease_seq.seq_one_letter_code +;G(MSE)NKEVDLSVSCLGKVKELKYDVIILPWGATEPHNLHLPYLTDCILPHDIAVEAAELALSRSGVRC(MSE)V +(MSE)PPVPFGAHNPGQRELPFCIHTRYATQQAILEDIVSSLHVQGFRKLLILSGHGGNNFKG(MSE)IRDLAFEYPDFL +IAAANWFEVVSPKGYFEAEIDDHAGESETSV(MSE)(MSE)HYHPELVNLAEAGDGESKPFAIASLNEKVAWVPRHWDKA +TVDSGVGNPKKATAEKGERYVKPIVEKLAGLFEE(MSE)AQHDLYE +; +# +_pdbx_entry_details.entry_id 3LUB +_pdbx_entry_details.compound_details ? +_pdbx_entry_details.source_details ? +_pdbx_entry_details.nonpolymer_details ? +_pdbx_entry_details.sequence_details +;THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE. +; +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +1 Y 1 1 A GLY 0 ? +2 Y 1 1 B GLY 0 ? +3 Y 1 1 C GLY 0 ? +4 Y 1 1 D GLY 0 ? +5 Y 1 1 E GLY 0 ? +6 Y 1 1 G GLY 0 ? +7 Y 1 1 H GLY 0 ? +8 Y 1 1 I GLY 0 ? +9 Y 1 1 J GLY 0 ? +10 Y 1 1 K GLY 0 ? +11 Y 1 1 L GLY 0 ? +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +1 Y 1 1 A LYS 14 ? CG ? +2 Y 1 1 A LYS 14 ? CD ? +3 Y 1 1 A LYS 14 ? CE ? +4 Y 1 1 A LYS 14 ? NZ ? +5 Y 1 1 A GLU 188 ? CG ? +6 Y 1 1 A GLU 188 ? CD ? +7 Y 1 1 A GLU 188 ? OE1 ? +8 Y 1 1 A GLU 188 ? OE2 ? +9 Y 1 1 B LYS 14 ? CG ? +10 Y 1 1 B LYS 14 ? CD ? +11 Y 1 1 B LYS 14 ? CE ? +12 Y 1 1 B LYS 14 ? NZ ? +13 Y 1 1 B LYS 152 ? CG ? +14 Y 1 1 B LYS 152 ? CD ? +15 Y 1 1 B LYS 152 ? CE ? +16 Y 1 1 B LYS 152 ? NZ ? +17 Y 1 1 C LYS 14 ? CG ? +18 Y 1 1 C LYS 14 ? CD ? +19 Y 1 1 C LYS 14 ? CE ? +20 Y 1 1 C LYS 14 ? NZ ? +21 Y 1 1 C GLU 188 ? CG ? +22 Y 1 1 C GLU 188 ? CD ? +23 Y 1 1 C GLU 188 ? OE1 ? +24 Y 1 1 C GLU 188 ? OE2 ? +25 Y 1 1 D LYS 14 ? CG ? +26 Y 1 1 D LYS 14 ? CD ? +27 Y 1 1 D LYS 14 ? CE ? +28 Y 1 1 D LYS 14 ? NZ ? +29 Y 1 1 D GLU 188 ? CG ? +30 Y 1 1 D GLU 188 ? CD ? +31 Y 1 1 D GLU 188 ? OE1 ? +32 Y 1 1 D GLU 188 ? OE2 ? +33 Y 1 1 E GLU 188 ? CG ? +34 Y 1 1 E GLU 188 ? CD ? +35 Y 1 1 E GLU 188 ? OE1 ? +36 Y 1 1 E GLU 188 ? OE2 ? +37 Y 1 1 F GLU 188 ? CG ? +38 Y 1 1 F GLU 188 ? CD ? +39 Y 1 1 F GLU 188 ? OE1 ? +40 Y 1 1 F GLU 188 ? OE2 ? +41 Y 1 1 G GLU 188 ? CG ? +42 Y 1 1 G GLU 188 ? CD ? +43 Y 1 1 G GLU 188 ? OE1 ? +44 Y 1 1 G GLU 188 ? OE2 ? +45 Y 1 1 I LYS 14 ? CG ? +46 Y 1 1 I LYS 14 ? CD ? +47 Y 1 1 I LYS 14 ? CE ? +48 Y 1 1 I LYS 14 ? NZ ? +49 Y 1 1 I GLU 158 ? CG ? +50 Y 1 1 I GLU 158 ? CD ? +51 Y 1 1 I GLU 158 ? OE1 ? +52 Y 1 1 I GLU 158 ? OE2 ? +53 Y 1 1 J LYS 152 ? CG ? +54 Y 1 1 J LYS 152 ? CD ? +55 Y 1 1 J LYS 152 ? CE ? +56 Y 1 1 J LYS 152 ? NZ ? +57 Y 1 1 K LYS 14 ? CG ? +58 Y 1 1 K LYS 14 ? CD ? +59 Y 1 1 K LYS 14 ? CE ? +60 Y 1 1 K LYS 14 ? NZ ? +61 Y 1 1 K GLU 188 ? CG ? +62 Y 1 1 K GLU 188 ? CD ? +63 Y 1 1 K GLU 188 ? OE1 ? +64 Y 1 1 K GLU 188 ? OE2 ? +65 Y 1 1 L LYS 14 ? CG ? +66 Y 1 1 L LYS 14 ? CD ? +67 Y 1 1 L LYS 14 ? CE ? +68 Y 1 1 L LYS 14 ? NZ ? +69 Y 1 1 L GLU 188 ? CG ? +70 Y 1 1 L GLU 188 ? CD ? +71 Y 1 1 L GLU 188 ? OE1 ? +72 Y 1 1 L GLU 188 ? OE2 ? +# +loop_ +_pdbx_version.entry_id +_pdbx_version.revision_date +_pdbx_version.major_version +_pdbx_version.minor_version +_pdbx_version.revision_type +_pdbx_version.details +3LUB 2010-02-23 3 2 'Version format compliance' 'compliance with PDB format V.3.20' +3LUB 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +M 2 ZN 1 301 301 ZN ZN A . +N 2 ZN 1 302 302 ZN ZN A . +O 3 CA 1 254 5 CA CA A . +P 4 CL 1 255 25 CL CL A . +Q 2 ZN 1 301 301 ZN ZN B . +R 2 ZN 1 302 302 ZN ZN B . +S 5 EDO 1 254 16 EDO EDO B . +T 4 CL 1 255 26 CL CL B . +U 2 ZN 1 301 301 ZN ZN C . +V 2 ZN 1 302 302 ZN ZN C . +W 3 CA 1 254 6 CA CA C . +X 5 EDO 1 255 19 EDO EDO C . +Y 5 EDO 1 256 20 EDO EDO C . +Z 4 CL 1 257 27 CL CL C . +AA 2 ZN 1 301 301 ZN ZN D . +BA 2 ZN 1 302 302 ZN ZN D . +CA 3 CA 1 254 1 CA CA D . +DA 3 CA 1 255 4 CA CA D . +EA 5 EDO 1 256 17 EDO EDO D . +FA 5 EDO 1 257 23 EDO EDO D . +GA 4 CL 1 258 28 CL CL D . +HA 2 ZN 1 301 301 ZN ZN E . +IA 2 ZN 1 302 302 ZN ZN E . +JA 3 CA 1 254 3 CA CA E . +KA 3 CA 1 255 7 CA CA E . +LA 5 EDO 1 256 15 EDO EDO E . +MA 4 CL 1 257 24 CL CL E . +NA 4 CL 1 258 29 CL CL E . +OA 2 ZN 1 301 301 ZN ZN F . +PA 2 ZN 1 302 302 ZN ZN F . +QA 3 CA 1 254 8 CA CA F . +RA 4 CL 1 255 30 CL CL F . +SA 2 ZN 1 301 301 ZN ZN G . +TA 2 ZN 1 302 302 ZN ZN G . +UA 3 CA 1 254 9 CA CA G . +VA 5 EDO 1 255 14 EDO EDO G . +WA 4 CL 1 256 31 CL CL G . +XA 2 ZN 1 301 301 ZN ZN H . +YA 2 ZN 1 302 302 ZN ZN H . +ZA 4 CL 1 254 32 CL CL H . +AB 2 ZN 1 301 301 ZN ZN I . +BB 2 ZN 1 302 302 ZN ZN I . +CB 3 CA 1 254 2 CA CA I . +DB 3 CA 1 255 10 CA CA I . +EB 4 CL 1 256 33 CL CL I . +FB 2 ZN 1 301 301 ZN ZN J . +GB 2 ZN 1 302 302 ZN ZN J . +HB 3 CA 1 254 11 CA CA J . +IB 5 EDO 1 255 13 EDO EDO J . +JB 4 CL 1 256 34 CL CL J . +KB 2 ZN 1 301 301 ZN ZN K . +LB 2 ZN 1 302 302 ZN ZN K . +MB 5 EDO 1 254 21 EDO EDO K . +NB 5 EDO 1 255 22 EDO EDO K . +OB 4 CL 1 256 35 CL CL K . +PB 2 ZN 1 301 301 ZN ZN L . +QB 2 ZN 1 302 302 ZN ZN L . +RB 3 CA 1 254 12 CA CA L . +SB 5 EDO 1 255 18 EDO EDO L . +TB 4 CL 1 256 36 CL CL L . +UB 6 HOH 1 256 70 HOH HOH A . +UB 6 HOH 2 257 77 HOH HOH A . +UB 6 HOH 3 258 92 HOH HOH A . +UB 6 HOH 4 259 125 HOH HOH A . +UB 6 HOH 5 260 131 HOH HOH A . +UB 6 HOH 6 261 140 HOH HOH A . +UB 6 HOH 7 262 171 HOH HOH A . +UB 6 HOH 8 263 193 HOH HOH A . +UB 6 HOH 9 264 222 HOH HOH A . +UB 6 HOH 10 265 265 HOH HOH A . +UB 6 HOH 11 266 231 HOH HOH A . +UB 6 HOH 12 281 281 HOH HOH A . +UB 6 HOH 13 288 288 HOH HOH A . +UB 6 HOH 14 336 336 HOH HOH A . +UB 6 HOH 15 361 361 HOH HOH A . +UB 6 HOH 16 363 363 HOH HOH A . +UB 6 HOH 17 365 365 HOH HOH A . +UB 6 HOH 18 375 375 HOH HOH A . +UB 6 HOH 19 387 387 HOH HOH A . +UB 6 HOH 20 391 391 HOH HOH A . +UB 6 HOH 21 396 396 HOH HOH A . +UB 6 HOH 22 399 399 HOH HOH A . +UB 6 HOH 23 434 434 HOH HOH A . +UB 6 HOH 24 438 438 HOH HOH A . +UB 6 HOH 25 454 454 HOH HOH A . +UB 6 HOH 26 457 457 HOH HOH A . +UB 6 HOH 27 470 470 HOH HOH A . +UB 6 HOH 28 522 522 HOH HOH A . +UB 6 HOH 29 578 578 HOH HOH A . +UB 6 HOH 30 579 579 HOH HOH A . +UB 6 HOH 31 596 596 HOH HOH A . +UB 6 HOH 32 608 608 HOH HOH A . +UB 6 HOH 33 627 627 HOH HOH A . +UB 6 HOH 34 630 630 HOH HOH A . +UB 6 HOH 35 641 641 HOH HOH A . +UB 6 HOH 36 663 663 HOH HOH A . +UB 6 HOH 37 673 673 HOH HOH A . +UB 6 HOH 38 674 674 HOH HOH A . +UB 6 HOH 39 702 702 HOH HOH A . +UB 6 HOH 40 706 706 HOH HOH A . +UB 6 HOH 41 711 711 HOH HOH A . +UB 6 HOH 42 715 715 HOH HOH A . +UB 6 HOH 43 721 721 HOH HOH A . +UB 6 HOH 44 724 724 HOH HOH A . +UB 6 HOH 45 727 727 HOH HOH A . +UB 6 HOH 46 738 738 HOH HOH A . +UB 6 HOH 47 748 748 HOH HOH A . +UB 6 HOH 48 775 775 HOH HOH A . +UB 6 HOH 49 798 798 HOH HOH A . +UB 6 HOH 50 802 802 HOH HOH A . +UB 6 HOH 51 812 812 HOH HOH A . +UB 6 HOH 52 830 830 HOH HOH A . +UB 6 HOH 53 833 833 HOH HOH A . +UB 6 HOH 54 853 853 HOH HOH A . +UB 6 HOH 55 869 869 HOH HOH A . +UB 6 HOH 56 877 877 HOH HOH A . +UB 6 HOH 57 888 888 HOH HOH A . +UB 6 HOH 58 889 889 HOH HOH A . +UB 6 HOH 59 897 897 HOH HOH A . +UB 6 HOH 60 907 907 HOH HOH A . +UB 6 HOH 61 912 912 HOH HOH A . +UB 6 HOH 62 918 918 HOH HOH A . +UB 6 HOH 63 944 944 HOH HOH A . +UB 6 HOH 64 971 971 HOH HOH A . +UB 6 HOH 65 980 980 HOH HOH A . +UB 6 HOH 66 992 992 HOH HOH A . +UB 6 HOH 67 994 994 HOH HOH A . +UB 6 HOH 68 1002 1002 HOH HOH A . +UB 6 HOH 69 1007 1007 HOH HOH A . +UB 6 HOH 70 1008 1008 HOH HOH A . +UB 6 HOH 71 1039 1039 HOH HOH A . +UB 6 HOH 72 1056 1056 HOH HOH A . +UB 6 HOH 73 1071 1071 HOH HOH A . +UB 6 HOH 74 1093 1093 HOH HOH A . +UB 6 HOH 75 1098 1098 HOH HOH A . +UB 6 HOH 76 1102 1102 HOH HOH A . +UB 6 HOH 77 1103 1103 HOH HOH A . +UB 6 HOH 78 1112 1112 HOH HOH A . +UB 6 HOH 79 1138 1138 HOH HOH A . +UB 6 HOH 80 1143 1143 HOH HOH A . +UB 6 HOH 81 1145 1145 HOH HOH A . +UB 6 HOH 82 1149 1149 HOH HOH A . +UB 6 HOH 83 1150 1150 HOH HOH A . +UB 6 HOH 84 1156 1156 HOH HOH A . +UB 6 HOH 85 1161 1161 HOH HOH A . +UB 6 HOH 86 1172 1172 HOH HOH A . +UB 6 HOH 87 1194 1194 HOH HOH A . +UB 6 HOH 88 1201 1201 HOH HOH A . +UB 6 HOH 89 1206 1206 HOH HOH A . +UB 6 HOH 90 1217 1217 HOH HOH A . +UB 6 HOH 91 1272 1272 HOH HOH A . +UB 6 HOH 92 1273 1273 HOH HOH A . +UB 6 HOH 93 1294 1294 HOH HOH A . +UB 6 HOH 94 1297 1297 HOH HOH A . +UB 6 HOH 95 1303 1303 HOH HOH A . +UB 6 HOH 96 1304 1304 HOH HOH A . +UB 6 HOH 97 1313 1313 HOH HOH A . +UB 6 HOH 98 1315 1315 HOH HOH A . +UB 6 HOH 99 1319 1319 HOH HOH A . +UB 6 HOH 100 1323 1323 HOH HOH A . +UB 6 HOH 101 1348 1348 HOH HOH A . +UB 6 HOH 102 1349 1349 HOH HOH A . +UB 6 HOH 103 1373 1373 HOH HOH A . +UB 6 HOH 104 1381 1381 HOH HOH A . +UB 6 HOH 105 1382 1382 HOH HOH A . +UB 6 HOH 106 1413 1413 HOH HOH A . +UB 6 HOH 107 1422 1422 HOH HOH A . +UB 6 HOH 108 1431 1431 HOH HOH A . +UB 6 HOH 109 1432 1432 HOH HOH A . +UB 6 HOH 110 1441 1441 HOH HOH A . +UB 6 HOH 111 1458 1458 HOH HOH A . +UB 6 HOH 112 1466 1466 HOH HOH A . +UB 6 HOH 113 1467 1467 HOH HOH A . +UB 6 HOH 114 1498 1498 HOH HOH A . +UB 6 HOH 115 1506 1506 HOH HOH A . +UB 6 HOH 116 1518 1518 HOH HOH A . +UB 6 HOH 117 1573 1573 HOH HOH A . +UB 6 HOH 118 1579 1579 HOH HOH A . +UB 6 HOH 119 1604 1604 HOH HOH A . +UB 6 HOH 120 1611 1611 HOH HOH A . +UB 6 HOH 121 1633 1633 HOH HOH A . +UB 6 HOH 122 1648 1648 HOH HOH A . +UB 6 HOH 123 1668 1668 HOH HOH A . +UB 6 HOH 124 1687 1687 HOH HOH A . +UB 6 HOH 125 1701 1701 HOH HOH A . +UB 6 HOH 126 1709 1709 HOH HOH A . +UB 6 HOH 127 1725 1725 HOH HOH A . +UB 6 HOH 128 1732 1732 HOH HOH A . +UB 6 HOH 129 1735 1735 HOH HOH A . +UB 6 HOH 130 1738 1738 HOH HOH A . +UB 6 HOH 131 1784 1784 HOH HOH A . +UB 6 HOH 132 1795 1795 HOH HOH A . +UB 6 HOH 133 1810 1810 HOH HOH A . +UB 6 HOH 134 1819 1819 HOH HOH A . +UB 6 HOH 135 1830 1830 HOH HOH A . +UB 6 HOH 136 1842 1842 HOH HOH A . +UB 6 HOH 137 1877 1877 HOH HOH A . +UB 6 HOH 138 1884 1884 HOH HOH A . +UB 6 HOH 139 1885 1885 HOH HOH A . +UB 6 HOH 140 1920 1920 HOH HOH A . +UB 6 HOH 141 1925 1925 HOH HOH A . +UB 6 HOH 142 1941 1941 HOH HOH A . +UB 6 HOH 143 1961 1961 HOH HOH A . +UB 6 HOH 144 1966 1966 HOH HOH A . +UB 6 HOH 145 1971 1971 HOH HOH A . +UB 6 HOH 146 1990 1990 HOH HOH A . +UB 6 HOH 147 1998 1998 HOH HOH A . +UB 6 HOH 148 2015 2015 HOH HOH A . +UB 6 HOH 149 2034 2034 HOH HOH A . +UB 6 HOH 150 2035 2035 HOH HOH A . +UB 6 HOH 151 2048 2048 HOH HOH A . +UB 6 HOH 152 2071 2071 HOH HOH A . +UB 6 HOH 153 2076 2076 HOH HOH A . +UB 6 HOH 154 2088 2088 HOH HOH A . +UB 6 HOH 155 2111 2111 HOH HOH A . +UB 6 HOH 156 2145 2145 HOH HOH A . +UB 6 HOH 157 2159 2159 HOH HOH A . +UB 6 HOH 158 2173 2173 HOH HOH A . +UB 6 HOH 159 2177 2177 HOH HOH A . +UB 6 HOH 160 2180 2180 HOH HOH A . +UB 6 HOH 161 2184 2184 HOH HOH A . +UB 6 HOH 162 2196 2196 HOH HOH A . +UB 6 HOH 163 2228 2228 HOH HOH A . +UB 6 HOH 164 2244 2244 HOH HOH A . +UB 6 HOH 165 2247 2247 HOH HOH A . +UB 6 HOH 166 2248 2248 HOH HOH A . +UB 6 HOH 167 2249 2249 HOH HOH A . +VB 6 HOH 1 256 49 HOH HOH B . +VB 6 HOH 2 257 65 HOH HOH B . +VB 6 HOH 3 258 103 HOH HOH B . +VB 6 HOH 4 259 117 HOH HOH B . +VB 6 HOH 5 260 123 HOH HOH B . +VB 6 HOH 6 261 133 HOH HOH B . +VB 6 HOH 7 262 141 HOH HOH B . +VB 6 HOH 8 263 263 HOH HOH B . +VB 6 HOH 9 264 144 HOH HOH B . +VB 6 HOH 10 265 153 HOH HOH B . +VB 6 HOH 11 266 162 HOH HOH B . +VB 6 HOH 12 267 166 HOH HOH B . +VB 6 HOH 13 268 268 HOH HOH B . +VB 6 HOH 14 269 168 HOH HOH B . +VB 6 HOH 15 270 195 HOH HOH B . +VB 6 HOH 16 271 198 HOH HOH B . +VB 6 HOH 17 272 209 HOH HOH B . +VB 6 HOH 18 273 210 HOH HOH B . +VB 6 HOH 19 274 220 HOH HOH B . +VB 6 HOH 20 275 225 HOH HOH B . +VB 6 HOH 21 276 276 HOH HOH B . +VB 6 HOH 22 277 240 HOH HOH B . +VB 6 HOH 23 287 287 HOH HOH B . +VB 6 HOH 24 295 295 HOH HOH B . +VB 6 HOH 25 323 323 HOH HOH B . +VB 6 HOH 26 328 328 HOH HOH B . +VB 6 HOH 27 374 374 HOH HOH B . +VB 6 HOH 28 384 384 HOH HOH B . +VB 6 HOH 29 386 386 HOH HOH B . +VB 6 HOH 30 419 419 HOH HOH B . +VB 6 HOH 31 446 446 HOH HOH B . +VB 6 HOH 32 451 451 HOH HOH B . +VB 6 HOH 33 474 474 HOH HOH B . +VB 6 HOH 34 483 483 HOH HOH B . +VB 6 HOH 35 485 485 HOH HOH B . +VB 6 HOH 36 496 496 HOH HOH B . +VB 6 HOH 37 510 510 HOH HOH B . +VB 6 HOH 38 512 512 HOH HOH B . +VB 6 HOH 39 584 584 HOH HOH B . +VB 6 HOH 40 586 586 HOH HOH B . +VB 6 HOH 41 594 594 HOH HOH B . +VB 6 HOH 42 612 612 HOH HOH B . +VB 6 HOH 43 624 624 HOH HOH B . +VB 6 HOH 44 642 642 HOH HOH B . +VB 6 HOH 45 645 645 HOH HOH B . +VB 6 HOH 46 700 700 HOH HOH B . +VB 6 HOH 47 704 704 HOH HOH B . +VB 6 HOH 48 712 712 HOH HOH B . +VB 6 HOH 49 744 744 HOH HOH B . +VB 6 HOH 50 746 746 HOH HOH B . +VB 6 HOH 51 776 776 HOH HOH B . +VB 6 HOH 52 784 784 HOH HOH B . +VB 6 HOH 53 808 808 HOH HOH B . +VB 6 HOH 54 811 811 HOH HOH B . +VB 6 HOH 55 827 827 HOH HOH B . +VB 6 HOH 56 835 835 HOH HOH B . +VB 6 HOH 57 836 836 HOH HOH B . +VB 6 HOH 58 848 848 HOH HOH B . +VB 6 HOH 59 856 856 HOH HOH B . +VB 6 HOH 60 876 876 HOH HOH B . +VB 6 HOH 61 885 885 HOH HOH B . +VB 6 HOH 62 908 908 HOH HOH B . +VB 6 HOH 63 929 929 HOH HOH B . +VB 6 HOH 64 950 950 HOH HOH B . +VB 6 HOH 65 964 964 HOH HOH B . +VB 6 HOH 66 965 965 HOH HOH B . +VB 6 HOH 67 995 995 HOH HOH B . +VB 6 HOH 68 1005 1005 HOH HOH B . +VB 6 HOH 69 1009 1009 HOH HOH B . +VB 6 HOH 70 1010 1010 HOH HOH B . +VB 6 HOH 71 1015 1015 HOH HOH B . +VB 6 HOH 72 1035 1035 HOH HOH B . +VB 6 HOH 73 1041 1041 HOH HOH B . +VB 6 HOH 74 1063 1063 HOH HOH B . +VB 6 HOH 75 1077 1077 HOH HOH B . +VB 6 HOH 76 1078 1078 HOH HOH B . +VB 6 HOH 77 1084 1084 HOH HOH B . +VB 6 HOH 78 1095 1095 HOH HOH B . +VB 6 HOH 79 1147 1147 HOH HOH B . +VB 6 HOH 80 1160 1160 HOH HOH B . +VB 6 HOH 81 1185 1185 HOH HOH B . +VB 6 HOH 82 1240 1240 HOH HOH B . +VB 6 HOH 83 1250 1250 HOH HOH B . +VB 6 HOH 84 1252 1252 HOH HOH B . +VB 6 HOH 85 1254 1254 HOH HOH B . +VB 6 HOH 86 1274 1274 HOH HOH B . +VB 6 HOH 87 1281 1281 HOH HOH B . +VB 6 HOH 88 1296 1296 HOH HOH B . +VB 6 HOH 89 1301 1301 HOH HOH B . +VB 6 HOH 90 1338 1338 HOH HOH B . +VB 6 HOH 91 1346 1346 HOH HOH B . +VB 6 HOH 92 1350 1350 HOH HOH B . +VB 6 HOH 93 1370 1370 HOH HOH B . +VB 6 HOH 94 1388 1388 HOH HOH B . +VB 6 HOH 95 1439 1439 HOH HOH B . +VB 6 HOH 96 1451 1451 HOH HOH B . +VB 6 HOH 97 1462 1462 HOH HOH B . +VB 6 HOH 98 1474 1474 HOH HOH B . +VB 6 HOH 99 1478 1478 HOH HOH B . +VB 6 HOH 100 1484 1484 HOH HOH B . +VB 6 HOH 101 1507 1507 HOH HOH B . +VB 6 HOH 102 1526 1526 HOH HOH B . +VB 6 HOH 103 1584 1584 HOH HOH B . +VB 6 HOH 104 1592 1592 HOH HOH B . +VB 6 HOH 105 1594 1594 HOH HOH B . +VB 6 HOH 106 1595 1595 HOH HOH B . +VB 6 HOH 107 1605 1605 HOH HOH B . +VB 6 HOH 108 1614 1614 HOH HOH B . +VB 6 HOH 109 1649 1649 HOH HOH B . +VB 6 HOH 110 1665 1665 HOH HOH B . +VB 6 HOH 111 1671 1671 HOH HOH B . +VB 6 HOH 112 1679 1679 HOH HOH B . +VB 6 HOH 113 1680 1680 HOH HOH B . +VB 6 HOH 114 1703 1703 HOH HOH B . +VB 6 HOH 115 1723 1723 HOH HOH B . +VB 6 HOH 116 1740 1740 HOH HOH B . +VB 6 HOH 117 1745 1745 HOH HOH B . +VB 6 HOH 118 1804 1804 HOH HOH B . +VB 6 HOH 119 1808 1808 HOH HOH B . +VB 6 HOH 120 1843 1843 HOH HOH B . +VB 6 HOH 121 1844 1844 HOH HOH B . +VB 6 HOH 122 1849 1849 HOH HOH B . +VB 6 HOH 123 1862 1862 HOH HOH B . +VB 6 HOH 124 1867 1867 HOH HOH B . +VB 6 HOH 125 1873 1873 HOH HOH B . +VB 6 HOH 126 1915 1915 HOH HOH B . +VB 6 HOH 127 1929 1929 HOH HOH B . +VB 6 HOH 128 1958 1958 HOH HOH B . +VB 6 HOH 129 1962 1962 HOH HOH B . +VB 6 HOH 130 1980 1980 HOH HOH B . +VB 6 HOH 131 1988 1988 HOH HOH B . +VB 6 HOH 132 1993 1993 HOH HOH B . +VB 6 HOH 133 1999 1999 HOH HOH B . +VB 6 HOH 134 2001 2001 HOH HOH B . +VB 6 HOH 135 2005 2005 HOH HOH B . +VB 6 HOH 136 2010 2010 HOH HOH B . +VB 6 HOH 137 2013 2013 HOH HOH B . +VB 6 HOH 138 2051 2051 HOH HOH B . +VB 6 HOH 139 2052 2052 HOH HOH B . +VB 6 HOH 140 2056 2056 HOH HOH B . +VB 6 HOH 141 2070 2070 HOH HOH B . +VB 6 HOH 142 2082 2082 HOH HOH B . +VB 6 HOH 143 2105 2105 HOH HOH B . +VB 6 HOH 144 2137 2137 HOH HOH B . +VB 6 HOH 145 2168 2168 HOH HOH B . +VB 6 HOH 146 2206 2206 HOH HOH B . +VB 6 HOH 147 2211 2211 HOH HOH B . +VB 6 HOH 148 2231 2231 HOH HOH B . +VB 6 HOH 149 2256 2256 HOH HOH B . +VB 6 HOH 150 2258 2258 HOH HOH B . +WB 6 HOH 1 258 38 HOH HOH C . +WB 6 HOH 2 259 56 HOH HOH C . +WB 6 HOH 3 260 58 HOH HOH C . +WB 6 HOH 4 261 63 HOH HOH C . +WB 6 HOH 5 262 69 HOH HOH C . +WB 6 HOH 6 263 81 HOH HOH C . +WB 6 HOH 7 264 88 HOH HOH C . +WB 6 HOH 8 265 115 HOH HOH C . +WB 6 HOH 9 266 121 HOH HOH C . +WB 6 HOH 10 267 122 HOH HOH C . +WB 6 HOH 11 268 126 HOH HOH C . +WB 6 HOH 12 269 132 HOH HOH C . +WB 6 HOH 13 270 152 HOH HOH C . +WB 6 HOH 14 271 161 HOH HOH C . +WB 6 HOH 15 272 183 HOH HOH C . +WB 6 HOH 16 273 188 HOH HOH C . +WB 6 HOH 17 274 192 HOH HOH C . +WB 6 HOH 18 275 202 HOH HOH C . +WB 6 HOH 19 276 206 HOH HOH C . +WB 6 HOH 20 277 227 HOH HOH C . +WB 6 HOH 21 278 250 HOH HOH C . +WB 6 HOH 22 279 254 HOH HOH C . +WB 6 HOH 23 280 280 HOH HOH C . +WB 6 HOH 24 281 301 HOH HOH C . +WB 6 HOH 25 283 283 HOH HOH C . +WB 6 HOH 26 284 284 HOH HOH C . +WB 6 HOH 27 286 286 HOH HOH C . +WB 6 HOH 28 290 290 HOH HOH C . +WB 6 HOH 29 293 293 HOH HOH C . +WB 6 HOH 30 298 298 HOH HOH C . +WB 6 HOH 31 311 311 HOH HOH C . +WB 6 HOH 32 318 318 HOH HOH C . +WB 6 HOH 33 327 327 HOH HOH C . +WB 6 HOH 34 332 332 HOH HOH C . +WB 6 HOH 35 359 359 HOH HOH C . +WB 6 HOH 36 393 393 HOH HOH C . +WB 6 HOH 37 401 401 HOH HOH C . +WB 6 HOH 38 409 409 HOH HOH C . +WB 6 HOH 39 416 416 HOH HOH C . +WB 6 HOH 40 421 421 HOH HOH C . +WB 6 HOH 41 424 424 HOH HOH C . +WB 6 HOH 42 444 444 HOH HOH C . +WB 6 HOH 43 455 455 HOH HOH C . +WB 6 HOH 44 458 458 HOH HOH C . +WB 6 HOH 45 471 471 HOH HOH C . +WB 6 HOH 46 472 472 HOH HOH C . +WB 6 HOH 47 478 478 HOH HOH C . +WB 6 HOH 48 481 481 HOH HOH C . +WB 6 HOH 49 484 484 HOH HOH C . +WB 6 HOH 50 490 490 HOH HOH C . +WB 6 HOH 51 491 491 HOH HOH C . +WB 6 HOH 52 497 497 HOH HOH C . +WB 6 HOH 53 527 527 HOH HOH C . +WB 6 HOH 54 536 536 HOH HOH C . +WB 6 HOH 55 558 558 HOH HOH C . +WB 6 HOH 56 590 590 HOH HOH C . +WB 6 HOH 57 597 597 HOH HOH C . +WB 6 HOH 58 598 598 HOH HOH C . +WB 6 HOH 59 603 603 HOH HOH C . +WB 6 HOH 60 604 604 HOH HOH C . +WB 6 HOH 61 611 611 HOH HOH C . +WB 6 HOH 62 616 616 HOH HOH C . +WB 6 HOH 63 619 619 HOH HOH C . +WB 6 HOH 64 628 628 HOH HOH C . +WB 6 HOH 65 648 648 HOH HOH C . +WB 6 HOH 66 651 651 HOH HOH C . +WB 6 HOH 67 659 659 HOH HOH C . +WB 6 HOH 68 685 685 HOH HOH C . +WB 6 HOH 69 686 686 HOH HOH C . +WB 6 HOH 70 687 687 HOH HOH C . +WB 6 HOH 71 688 688 HOH HOH C . +WB 6 HOH 72 691 691 HOH HOH C . +WB 6 HOH 73 709 709 HOH HOH C . +WB 6 HOH 74 726 726 HOH HOH C . +WB 6 HOH 75 749 749 HOH HOH C . +WB 6 HOH 76 752 752 HOH HOH C . +WB 6 HOH 77 763 763 HOH HOH C . +WB 6 HOH 78 770 770 HOH HOH C . +WB 6 HOH 79 779 779 HOH HOH C . +WB 6 HOH 80 782 782 HOH HOH C . +WB 6 HOH 81 787 787 HOH HOH C . +WB 6 HOH 82 825 825 HOH HOH C . +WB 6 HOH 83 842 842 HOH HOH C . +WB 6 HOH 84 850 850 HOH HOH C . +WB 6 HOH 85 857 857 HOH HOH C . +WB 6 HOH 86 866 866 HOH HOH C . +WB 6 HOH 87 873 873 HOH HOH C . +WB 6 HOH 88 880 880 HOH HOH C . +WB 6 HOH 89 904 904 HOH HOH C . +WB 6 HOH 90 933 933 HOH HOH C . +WB 6 HOH 91 935 935 HOH HOH C . +WB 6 HOH 92 943 943 HOH HOH C . +WB 6 HOH 93 957 957 HOH HOH C . +WB 6 HOH 94 967 967 HOH HOH C . +WB 6 HOH 95 973 973 HOH HOH C . +WB 6 HOH 96 976 976 HOH HOH C . +WB 6 HOH 97 977 977 HOH HOH C . +WB 6 HOH 98 985 985 HOH HOH C . +WB 6 HOH 99 989 989 HOH HOH C . +WB 6 HOH 100 1027 1027 HOH HOH C . +WB 6 HOH 101 1034 1034 HOH HOH C . +WB 6 HOH 102 1086 1086 HOH HOH C . +WB 6 HOH 103 1097 1097 HOH HOH C . +WB 6 HOH 104 1126 1126 HOH HOH C . +WB 6 HOH 105 1137 1137 HOH HOH C . +WB 6 HOH 106 1146 1146 HOH HOH C . +WB 6 HOH 107 1157 1157 HOH HOH C . +WB 6 HOH 108 1168 1168 HOH HOH C . +WB 6 HOH 109 1177 1177 HOH HOH C . +WB 6 HOH 110 1183 1183 HOH HOH C . +WB 6 HOH 111 1189 1189 HOH HOH C . +WB 6 HOH 112 1191 1191 HOH HOH C . +WB 6 HOH 113 1210 1210 HOH HOH C . +WB 6 HOH 114 1226 1226 HOH HOH C . +WB 6 HOH 115 1266 1266 HOH HOH C . +WB 6 HOH 116 1291 1291 HOH HOH C . +WB 6 HOH 117 1293 1293 HOH HOH C . +WB 6 HOH 118 1302 1302 HOH HOH C . +WB 6 HOH 119 1311 1311 HOH HOH C . +WB 6 HOH 120 1320 1320 HOH HOH C . +WB 6 HOH 121 1329 1329 HOH HOH C . +WB 6 HOH 122 1343 1343 HOH HOH C . +WB 6 HOH 123 1352 1352 HOH HOH C . +WB 6 HOH 124 1357 1357 HOH HOH C . +WB 6 HOH 125 1364 1364 HOH HOH C . +WB 6 HOH 126 1366 1366 HOH HOH C . +WB 6 HOH 127 1378 1378 HOH HOH C . +WB 6 HOH 128 1397 1397 HOH HOH C . +WB 6 HOH 129 1435 1435 HOH HOH C . +WB 6 HOH 130 1447 1447 HOH HOH C . +WB 6 HOH 131 1456 1456 HOH HOH C . +WB 6 HOH 132 1480 1480 HOH HOH C . +WB 6 HOH 133 1482 1482 HOH HOH C . +WB 6 HOH 134 1508 1508 HOH HOH C . +WB 6 HOH 135 1530 1530 HOH HOH C . +WB 6 HOH 136 1532 1532 HOH HOH C . +WB 6 HOH 137 1547 1547 HOH HOH C . +WB 6 HOH 138 1548 1548 HOH HOH C . +WB 6 HOH 139 1551 1551 HOH HOH C . +WB 6 HOH 140 1576 1576 HOH HOH C . +WB 6 HOH 141 1599 1599 HOH HOH C . +WB 6 HOH 142 1607 1607 HOH HOH C . +WB 6 HOH 143 1627 1627 HOH HOH C . +WB 6 HOH 144 1629 1629 HOH HOH C . +WB 6 HOH 145 1663 1663 HOH HOH C . +WB 6 HOH 146 1681 1681 HOH HOH C . +WB 6 HOH 147 1693 1693 HOH HOH C . +WB 6 HOH 148 1698 1698 HOH HOH C . +WB 6 HOH 149 1707 1707 HOH HOH C . +WB 6 HOH 150 1746 1746 HOH HOH C . +WB 6 HOH 151 1750 1750 HOH HOH C . +WB 6 HOH 152 1759 1759 HOH HOH C . +WB 6 HOH 153 1782 1782 HOH HOH C . +WB 6 HOH 154 1787 1787 HOH HOH C . +WB 6 HOH 155 1794 1794 HOH HOH C . +WB 6 HOH 156 1796 1796 HOH HOH C . +WB 6 HOH 157 1850 1850 HOH HOH C . +WB 6 HOH 158 1869 1869 HOH HOH C . +WB 6 HOH 159 1882 1882 HOH HOH C . +WB 6 HOH 160 1888 1888 HOH HOH C . +WB 6 HOH 161 1896 1896 HOH HOH C . +WB 6 HOH 162 1898 1898 HOH HOH C . +WB 6 HOH 163 1901 1901 HOH HOH C . +WB 6 HOH 164 1909 1909 HOH HOH C . +WB 6 HOH 165 1927 1927 HOH HOH C . +WB 6 HOH 166 1942 1942 HOH HOH C . +WB 6 HOH 167 1943 1943 HOH HOH C . +WB 6 HOH 168 1945 1945 HOH HOH C . +WB 6 HOH 169 1968 1968 HOH HOH C . +WB 6 HOH 170 1976 1976 HOH HOH C . +WB 6 HOH 171 1977 1977 HOH HOH C . +WB 6 HOH 172 1983 1983 HOH HOH C . +WB 6 HOH 173 1984 1984 HOH HOH C . +WB 6 HOH 174 1989 1989 HOH HOH C . +WB 6 HOH 175 1991 1991 HOH HOH C . +WB 6 HOH 176 1995 1995 HOH HOH C . +WB 6 HOH 177 2002 2002 HOH HOH C . +WB 6 HOH 178 2004 2004 HOH HOH C . +WB 6 HOH 179 2025 2025 HOH HOH C . +WB 6 HOH 180 2044 2044 HOH HOH C . +WB 6 HOH 181 2053 2053 HOH HOH C . +WB 6 HOH 182 2080 2080 HOH HOH C . +WB 6 HOH 183 2100 2100 HOH HOH C . +WB 6 HOH 184 2115 2115 HOH HOH C . +WB 6 HOH 185 2117 2117 HOH HOH C . +WB 6 HOH 186 2121 2121 HOH HOH C . +WB 6 HOH 187 2135 2135 HOH HOH C . +WB 6 HOH 188 2147 2147 HOH HOH C . +WB 6 HOH 189 2157 2157 HOH HOH C . +WB 6 HOH 190 2161 2161 HOH HOH C . +WB 6 HOH 191 2163 2163 HOH HOH C . +WB 6 HOH 192 2165 2165 HOH HOH C . +WB 6 HOH 193 2176 2176 HOH HOH C . +WB 6 HOH 194 2233 2233 HOH HOH C . +WB 6 HOH 195 2236 2236 HOH HOH C . +WB 6 HOH 196 2245 2245 HOH HOH C . +WB 6 HOH 197 2246 2246 HOH HOH C . +XB 6 HOH 1 259 42 HOH HOH D . +XB 6 HOH 2 260 260 HOH HOH D . +XB 6 HOH 3 261 43 HOH HOH D . +XB 6 HOH 4 262 45 HOH HOH D . +XB 6 HOH 5 263 50 HOH HOH D . +XB 6 HOH 6 264 61 HOH HOH D . +XB 6 HOH 7 265 64 HOH HOH D . +XB 6 HOH 8 266 66 HOH HOH D . +XB 6 HOH 9 267 73 HOH HOH D . +XB 6 HOH 10 268 75 HOH HOH D . +XB 6 HOH 11 269 85 HOH HOH D . +XB 6 HOH 12 270 90 HOH HOH D . +XB 6 HOH 13 271 91 HOH HOH D . +XB 6 HOH 14 272 93 HOH HOH D . +XB 6 HOH 15 273 273 HOH HOH D . +XB 6 HOH 16 274 274 HOH HOH D . +XB 6 HOH 17 275 106 HOH HOH D . +XB 6 HOH 18 276 108 HOH HOH D . +XB 6 HOH 19 277 128 HOH HOH D . +XB 6 HOH 20 278 278 HOH HOH D . +XB 6 HOH 21 279 130 HOH HOH D . +XB 6 HOH 22 280 139 HOH HOH D . +XB 6 HOH 23 281 149 HOH HOH D . +XB 6 HOH 24 282 174 HOH HOH D . +XB 6 HOH 25 283 182 HOH HOH D . +XB 6 HOH 26 284 184 HOH HOH D . +XB 6 HOH 27 285 186 HOH HOH D . +XB 6 HOH 28 286 205 HOH HOH D . +XB 6 HOH 29 287 215 HOH HOH D . +XB 6 HOH 30 288 216 HOH HOH D . +XB 6 HOH 31 289 219 HOH HOH D . +XB 6 HOH 32 290 226 HOH HOH D . +XB 6 HOH 33 291 228 HOH HOH D . +XB 6 HOH 34 292 238 HOH HOH D . +XB 6 HOH 35 293 243 HOH HOH D . +XB 6 HOH 36 294 294 HOH HOH D . +XB 6 HOH 37 295 244 HOH HOH D . +XB 6 HOH 38 296 253 HOH HOH D . +XB 6 HOH 39 315 315 HOH HOH D . +XB 6 HOH 40 322 322 HOH HOH D . +XB 6 HOH 41 335 335 HOH HOH D . +XB 6 HOH 42 337 337 HOH HOH D . +XB 6 HOH 43 342 342 HOH HOH D . +XB 6 HOH 44 344 344 HOH HOH D . +XB 6 HOH 45 346 346 HOH HOH D . +XB 6 HOH 46 360 360 HOH HOH D . +XB 6 HOH 47 367 367 HOH HOH D . +XB 6 HOH 48 381 381 HOH HOH D . +XB 6 HOH 49 395 395 HOH HOH D . +XB 6 HOH 50 398 398 HOH HOH D . +XB 6 HOH 51 407 407 HOH HOH D . +XB 6 HOH 52 408 408 HOH HOH D . +XB 6 HOH 53 410 410 HOH HOH D . +XB 6 HOH 54 423 423 HOH HOH D . +XB 6 HOH 55 431 431 HOH HOH D . +XB 6 HOH 56 437 437 HOH HOH D . +XB 6 HOH 57 439 439 HOH HOH D . +XB 6 HOH 58 442 442 HOH HOH D . +XB 6 HOH 59 450 450 HOH HOH D . +XB 6 HOH 60 492 492 HOH HOH D . +XB 6 HOH 61 501 501 HOH HOH D . +XB 6 HOH 62 507 507 HOH HOH D . +XB 6 HOH 63 520 520 HOH HOH D . +XB 6 HOH 64 530 530 HOH HOH D . +XB 6 HOH 65 534 534 HOH HOH D . +XB 6 HOH 66 562 562 HOH HOH D . +XB 6 HOH 67 576 576 HOH HOH D . +XB 6 HOH 68 592 592 HOH HOH D . +XB 6 HOH 69 615 615 HOH HOH D . +XB 6 HOH 70 626 626 HOH HOH D . +XB 6 HOH 71 644 644 HOH HOH D . +XB 6 HOH 72 649 649 HOH HOH D . +XB 6 HOH 73 655 655 HOH HOH D . +XB 6 HOH 74 657 657 HOH HOH D . +XB 6 HOH 75 660 660 HOH HOH D . +XB 6 HOH 76 669 669 HOH HOH D . +XB 6 HOH 77 676 676 HOH HOH D . +XB 6 HOH 78 678 678 HOH HOH D . +XB 6 HOH 79 683 683 HOH HOH D . +XB 6 HOH 80 718 718 HOH HOH D . +XB 6 HOH 81 719 719 HOH HOH D . +XB 6 HOH 82 720 720 HOH HOH D . +XB 6 HOH 83 722 722 HOH HOH D . +XB 6 HOH 84 733 733 HOH HOH D . +XB 6 HOH 85 737 737 HOH HOH D . +XB 6 HOH 86 758 758 HOH HOH D . +XB 6 HOH 87 760 760 HOH HOH D . +XB 6 HOH 88 771 771 HOH HOH D . +XB 6 HOH 89 791 791 HOH HOH D . +XB 6 HOH 90 800 800 HOH HOH D . +XB 6 HOH 91 815 815 HOH HOH D . +XB 6 HOH 92 819 819 HOH HOH D . +XB 6 HOH 93 820 820 HOH HOH D . +XB 6 HOH 94 867 867 HOH HOH D . +XB 6 HOH 95 879 879 HOH HOH D . +XB 6 HOH 96 892 892 HOH HOH D . +XB 6 HOH 97 901 901 HOH HOH D . +XB 6 HOH 98 923 923 HOH HOH D . +XB 6 HOH 99 926 926 HOH HOH D . +XB 6 HOH 100 934 934 HOH HOH D . +XB 6 HOH 101 948 948 HOH HOH D . +XB 6 HOH 102 969 969 HOH HOH D . +XB 6 HOH 103 972 972 HOH HOH D . +XB 6 HOH 104 979 979 HOH HOH D . +XB 6 HOH 105 1001 1001 HOH HOH D . +XB 6 HOH 106 1004 1004 HOH HOH D . +XB 6 HOH 107 1011 1011 HOH HOH D . +XB 6 HOH 108 1045 1045 HOH HOH D . +XB 6 HOH 109 1053 1053 HOH HOH D . +XB 6 HOH 110 1054 1054 HOH HOH D . +XB 6 HOH 111 1066 1066 HOH HOH D . +XB 6 HOH 112 1088 1088 HOH HOH D . +XB 6 HOH 113 1092 1092 HOH HOH D . +XB 6 HOH 114 1101 1101 HOH HOH D . +XB 6 HOH 115 1119 1119 HOH HOH D . +XB 6 HOH 116 1133 1133 HOH HOH D . +XB 6 HOH 117 1155 1155 HOH HOH D . +XB 6 HOH 118 1167 1167 HOH HOH D . +XB 6 HOH 119 1171 1171 HOH HOH D . +XB 6 HOH 120 1175 1175 HOH HOH D . +XB 6 HOH 121 1178 1178 HOH HOH D . +XB 6 HOH 122 1188 1188 HOH HOH D . +XB 6 HOH 123 1200 1200 HOH HOH D . +XB 6 HOH 124 1204 1204 HOH HOH D . +XB 6 HOH 125 1205 1205 HOH HOH D . +XB 6 HOH 126 1211 1211 HOH HOH D . +XB 6 HOH 127 1218 1218 HOH HOH D . +XB 6 HOH 128 1232 1232 HOH HOH D . +XB 6 HOH 129 1242 1242 HOH HOH D . +XB 6 HOH 130 1246 1246 HOH HOH D . +XB 6 HOH 131 1251 1251 HOH HOH D . +XB 6 HOH 132 1259 1259 HOH HOH D . +XB 6 HOH 133 1260 1260 HOH HOH D . +XB 6 HOH 134 1298 1298 HOH HOH D . +XB 6 HOH 135 1300 1300 HOH HOH D . +XB 6 HOH 136 1310 1310 HOH HOH D . +XB 6 HOH 137 1312 1312 HOH HOH D . +XB 6 HOH 138 1333 1333 HOH HOH D . +XB 6 HOH 139 1335 1335 HOH HOH D . +XB 6 HOH 140 1336 1336 HOH HOH D . +XB 6 HOH 141 1374 1374 HOH HOH D . +XB 6 HOH 142 1377 1377 HOH HOH D . +XB 6 HOH 143 1379 1379 HOH HOH D . +XB 6 HOH 144 1390 1390 HOH HOH D . +XB 6 HOH 145 1402 1402 HOH HOH D . +XB 6 HOH 146 1414 1414 HOH HOH D . +XB 6 HOH 147 1424 1424 HOH HOH D . +XB 6 HOH 148 1452 1452 HOH HOH D . +XB 6 HOH 149 1453 1453 HOH HOH D . +XB 6 HOH 150 1471 1471 HOH HOH D . +XB 6 HOH 151 1473 1473 HOH HOH D . +XB 6 HOH 152 1483 1483 HOH HOH D . +XB 6 HOH 153 1486 1486 HOH HOH D . +XB 6 HOH 154 1487 1487 HOH HOH D . +XB 6 HOH 155 1496 1496 HOH HOH D . +XB 6 HOH 156 1504 1504 HOH HOH D . +XB 6 HOH 157 1509 1509 HOH HOH D . +XB 6 HOH 158 1511 1511 HOH HOH D . +XB 6 HOH 159 1515 1515 HOH HOH D . +XB 6 HOH 160 1521 1521 HOH HOH D . +XB 6 HOH 161 1546 1546 HOH HOH D . +XB 6 HOH 162 1563 1563 HOH HOH D . +XB 6 HOH 163 1583 1583 HOH HOH D . +XB 6 HOH 164 1634 1634 HOH HOH D . +XB 6 HOH 165 1651 1651 HOH HOH D . +XB 6 HOH 166 1653 1653 HOH HOH D . +XB 6 HOH 167 1655 1655 HOH HOH D . +XB 6 HOH 168 1670 1670 HOH HOH D . +XB 6 HOH 169 1684 1684 HOH HOH D . +XB 6 HOH 170 1717 1717 HOH HOH D . +XB 6 HOH 171 1730 1730 HOH HOH D . +XB 6 HOH 172 1736 1736 HOH HOH D . +XB 6 HOH 173 1749 1749 HOH HOH D . +XB 6 HOH 174 1752 1752 HOH HOH D . +XB 6 HOH 175 1755 1755 HOH HOH D . +XB 6 HOH 176 1773 1773 HOH HOH D . +XB 6 HOH 177 1778 1778 HOH HOH D . +XB 6 HOH 178 1809 1809 HOH HOH D . +XB 6 HOH 179 1811 1811 HOH HOH D . +XB 6 HOH 180 1838 1838 HOH HOH D . +XB 6 HOH 181 1848 1848 HOH HOH D . +XB 6 HOH 182 1857 1857 HOH HOH D . +XB 6 HOH 183 1861 1861 HOH HOH D . +XB 6 HOH 184 1865 1865 HOH HOH D . +XB 6 HOH 185 1879 1879 HOH HOH D . +XB 6 HOH 186 1883 1883 HOH HOH D . +XB 6 HOH 187 1890 1890 HOH HOH D . +XB 6 HOH 188 1897 1897 HOH HOH D . +XB 6 HOH 189 1903 1903 HOH HOH D . +XB 6 HOH 190 1904 1904 HOH HOH D . +XB 6 HOH 191 1912 1912 HOH HOH D . +XB 6 HOH 192 1913 1913 HOH HOH D . +XB 6 HOH 193 1916 1916 HOH HOH D . +XB 6 HOH 194 1918 1918 HOH HOH D . +XB 6 HOH 195 1923 1923 HOH HOH D . +XB 6 HOH 196 1940 1940 HOH HOH D . +XB 6 HOH 197 1949 1949 HOH HOH D . +XB 6 HOH 198 1950 1950 HOH HOH D . +XB 6 HOH 199 1967 1967 HOH HOH D . +XB 6 HOH 200 2012 2012 HOH HOH D . +XB 6 HOH 201 2046 2046 HOH HOH D . +XB 6 HOH 202 2068 2068 HOH HOH D . +XB 6 HOH 203 2069 2069 HOH HOH D . +XB 6 HOH 204 2073 2073 HOH HOH D . +XB 6 HOH 205 2079 2079 HOH HOH D . +XB 6 HOH 206 2093 2093 HOH HOH D . +XB 6 HOH 207 2101 2101 HOH HOH D . +XB 6 HOH 208 2146 2146 HOH HOH D . +XB 6 HOH 209 2150 2150 HOH HOH D . +XB 6 HOH 210 2193 2193 HOH HOH D . +XB 6 HOH 211 2194 2194 HOH HOH D . +XB 6 HOH 212 2200 2200 HOH HOH D . +YB 6 HOH 1 259 259 HOH HOH E . +YB 6 HOH 2 260 40 HOH HOH E . +YB 6 HOH 3 261 47 HOH HOH E . +YB 6 HOH 4 262 48 HOH HOH E . +YB 6 HOH 5 263 59 HOH HOH E . +YB 6 HOH 6 264 68 HOH HOH E . +YB 6 HOH 7 265 79 HOH HOH E . +YB 6 HOH 8 266 82 HOH HOH E . +YB 6 HOH 9 267 83 HOH HOH E . +YB 6 HOH 10 268 84 HOH HOH E . +YB 6 HOH 11 269 94 HOH HOH E . +YB 6 HOH 12 270 96 HOH HOH E . +YB 6 HOH 13 271 98 HOH HOH E . +YB 6 HOH 14 272 99 HOH HOH E . +YB 6 HOH 15 273 111 HOH HOH E . +YB 6 HOH 16 274 151 HOH HOH E . +YB 6 HOH 17 275 275 HOH HOH E . +YB 6 HOH 18 276 154 HOH HOH E . +YB 6 HOH 19 277 160 HOH HOH E . +YB 6 HOH 20 278 163 HOH HOH E . +YB 6 HOH 21 279 170 HOH HOH E . +YB 6 HOH 22 280 185 HOH HOH E . +YB 6 HOH 23 281 196 HOH HOH E . +YB 6 HOH 24 282 282 HOH HOH E . +YB 6 HOH 25 283 213 HOH HOH E . +YB 6 HOH 26 284 246 HOH HOH E . +YB 6 HOH 27 285 258 HOH HOH E . +YB 6 HOH 28 306 306 HOH HOH E . +YB 6 HOH 29 308 308 HOH HOH E . +YB 6 HOH 30 312 312 HOH HOH E . +YB 6 HOH 31 313 313 HOH HOH E . +YB 6 HOH 32 320 320 HOH HOH E . +YB 6 HOH 33 331 331 HOH HOH E . +YB 6 HOH 34 333 333 HOH HOH E . +YB 6 HOH 35 351 351 HOH HOH E . +YB 6 HOH 36 389 389 HOH HOH E . +YB 6 HOH 37 411 411 HOH HOH E . +YB 6 HOH 38 425 425 HOH HOH E . +YB 6 HOH 39 429 429 HOH HOH E . +YB 6 HOH 40 436 436 HOH HOH E . +YB 6 HOH 41 440 440 HOH HOH E . +YB 6 HOH 42 445 445 HOH HOH E . +YB 6 HOH 43 460 460 HOH HOH E . +YB 6 HOH 44 473 473 HOH HOH E . +YB 6 HOH 45 502 502 HOH HOH E . +YB 6 HOH 46 514 514 HOH HOH E . +YB 6 HOH 47 538 538 HOH HOH E . +YB 6 HOH 48 563 563 HOH HOH E . +YB 6 HOH 49 567 567 HOH HOH E . +YB 6 HOH 50 571 571 HOH HOH E . +YB 6 HOH 51 572 572 HOH HOH E . +YB 6 HOH 52 582 582 HOH HOH E . +YB 6 HOH 53 585 585 HOH HOH E . +YB 6 HOH 54 595 595 HOH HOH E . +YB 6 HOH 55 602 602 HOH HOH E . +YB 6 HOH 56 617 617 HOH HOH E . +YB 6 HOH 57 636 636 HOH HOH E . +YB 6 HOH 58 656 656 HOH HOH E . +YB 6 HOH 59 662 662 HOH HOH E . +YB 6 HOH 60 667 667 HOH HOH E . +YB 6 HOH 61 681 681 HOH HOH E . +YB 6 HOH 62 690 690 HOH HOH E . +YB 6 HOH 63 707 707 HOH HOH E . +YB 6 HOH 64 731 731 HOH HOH E . +YB 6 HOH 65 735 735 HOH HOH E . +YB 6 HOH 66 736 736 HOH HOH E . +YB 6 HOH 67 741 741 HOH HOH E . +YB 6 HOH 68 745 745 HOH HOH E . +YB 6 HOH 69 753 753 HOH HOH E . +YB 6 HOH 70 759 759 HOH HOH E . +YB 6 HOH 71 764 764 HOH HOH E . +YB 6 HOH 72 786 786 HOH HOH E . +YB 6 HOH 73 788 788 HOH HOH E . +YB 6 HOH 74 816 816 HOH HOH E . +YB 6 HOH 75 818 818 HOH HOH E . +YB 6 HOH 76 831 831 HOH HOH E . +YB 6 HOH 77 839 839 HOH HOH E . +YB 6 HOH 78 841 841 HOH HOH E . +YB 6 HOH 79 845 845 HOH HOH E . +YB 6 HOH 80 852 852 HOH HOH E . +YB 6 HOH 81 859 859 HOH HOH E . +YB 6 HOH 82 860 860 HOH HOH E . +YB 6 HOH 83 887 887 HOH HOH E . +YB 6 HOH 84 902 902 HOH HOH E . +YB 6 HOH 85 906 906 HOH HOH E . +YB 6 HOH 86 915 915 HOH HOH E . +YB 6 HOH 87 925 925 HOH HOH E . +YB 6 HOH 88 938 938 HOH HOH E . +YB 6 HOH 89 941 941 HOH HOH E . +YB 6 HOH 90 951 951 HOH HOH E . +YB 6 HOH 91 954 954 HOH HOH E . +YB 6 HOH 92 987 987 HOH HOH E . +YB 6 HOH 93 998 998 HOH HOH E . +YB 6 HOH 94 999 999 HOH HOH E . +YB 6 HOH 95 1003 1003 HOH HOH E . +YB 6 HOH 96 1016 1016 HOH HOH E . +YB 6 HOH 97 1018 1018 HOH HOH E . +YB 6 HOH 98 1022 1022 HOH HOH E . +YB 6 HOH 99 1051 1051 HOH HOH E . +YB 6 HOH 100 1060 1060 HOH HOH E . +YB 6 HOH 101 1065 1065 HOH HOH E . +YB 6 HOH 102 1090 1090 HOH HOH E . +YB 6 HOH 103 1091 1091 HOH HOH E . +YB 6 HOH 104 1094 1094 HOH HOH E . +YB 6 HOH 105 1096 1096 HOH HOH E . +YB 6 HOH 106 1123 1123 HOH HOH E . +YB 6 HOH 107 1127 1127 HOH HOH E . +YB 6 HOH 108 1135 1135 HOH HOH E . +YB 6 HOH 109 1142 1142 HOH HOH E . +YB 6 HOH 110 1163 1163 HOH HOH E . +YB 6 HOH 111 1164 1164 HOH HOH E . +YB 6 HOH 112 1169 1169 HOH HOH E . +YB 6 HOH 113 1170 1170 HOH HOH E . +YB 6 HOH 114 1198 1198 HOH HOH E . +YB 6 HOH 115 1209 1209 HOH HOH E . +YB 6 HOH 116 1224 1224 HOH HOH E . +YB 6 HOH 117 1234 1234 HOH HOH E . +YB 6 HOH 118 1238 1238 HOH HOH E . +YB 6 HOH 119 1244 1244 HOH HOH E . +YB 6 HOH 120 1249 1249 HOH HOH E . +YB 6 HOH 121 1278 1278 HOH HOH E . +YB 6 HOH 122 1305 1305 HOH HOH E . +YB 6 HOH 123 1318 1318 HOH HOH E . +YB 6 HOH 124 1327 1327 HOH HOH E . +YB 6 HOH 125 1353 1353 HOH HOH E . +YB 6 HOH 126 1371 1371 HOH HOH E . +YB 6 HOH 127 1393 1393 HOH HOH E . +YB 6 HOH 128 1395 1395 HOH HOH E . +YB 6 HOH 129 1404 1404 HOH HOH E . +YB 6 HOH 130 1419 1419 HOH HOH E . +YB 6 HOH 131 1429 1429 HOH HOH E . +YB 6 HOH 132 1445 1445 HOH HOH E . +YB 6 HOH 133 1454 1454 HOH HOH E . +YB 6 HOH 134 1460 1460 HOH HOH E . +YB 6 HOH 135 1485 1485 HOH HOH E . +YB 6 HOH 136 1497 1497 HOH HOH E . +YB 6 HOH 137 1516 1516 HOH HOH E . +YB 6 HOH 138 1522 1522 HOH HOH E . +YB 6 HOH 139 1525 1525 HOH HOH E . +YB 6 HOH 140 1533 1533 HOH HOH E . +YB 6 HOH 141 1534 1534 HOH HOH E . +YB 6 HOH 142 1536 1536 HOH HOH E . +YB 6 HOH 143 1539 1539 HOH HOH E . +YB 6 HOH 144 1542 1542 HOH HOH E . +YB 6 HOH 145 1561 1561 HOH HOH E . +YB 6 HOH 146 1580 1580 HOH HOH E . +YB 6 HOH 147 1581 1581 HOH HOH E . +YB 6 HOH 148 1630 1630 HOH HOH E . +YB 6 HOH 149 1638 1638 HOH HOH E . +YB 6 HOH 150 1641 1641 HOH HOH E . +YB 6 HOH 151 1647 1647 HOH HOH E . +YB 6 HOH 152 1662 1662 HOH HOH E . +YB 6 HOH 153 1669 1669 HOH HOH E . +YB 6 HOH 154 1676 1676 HOH HOH E . +YB 6 HOH 155 1685 1685 HOH HOH E . +YB 6 HOH 156 1694 1694 HOH HOH E . +YB 6 HOH 157 1724 1724 HOH HOH E . +YB 6 HOH 158 1744 1744 HOH HOH E . +YB 6 HOH 159 1754 1754 HOH HOH E . +YB 6 HOH 160 1756 1756 HOH HOH E . +YB 6 HOH 161 1758 1758 HOH HOH E . +YB 6 HOH 162 1770 1770 HOH HOH E . +YB 6 HOH 163 1775 1775 HOH HOH E . +YB 6 HOH 164 1776 1776 HOH HOH E . +YB 6 HOH 165 1781 1781 HOH HOH E . +YB 6 HOH 166 1791 1791 HOH HOH E . +YB 6 HOH 167 1799 1799 HOH HOH E . +YB 6 HOH 168 1801 1801 HOH HOH E . +YB 6 HOH 169 1807 1807 HOH HOH E . +YB 6 HOH 170 1858 1858 HOH HOH E . +YB 6 HOH 171 1871 1871 HOH HOH E . +YB 6 HOH 172 1878 1878 HOH HOH E . +YB 6 HOH 173 1880 1880 HOH HOH E . +YB 6 HOH 174 1887 1887 HOH HOH E . +YB 6 HOH 175 1892 1892 HOH HOH E . +YB 6 HOH 176 1905 1905 HOH HOH E . +YB 6 HOH 177 1911 1911 HOH HOH E . +YB 6 HOH 178 1924 1924 HOH HOH E . +YB 6 HOH 179 1931 1931 HOH HOH E . +YB 6 HOH 180 1932 1932 HOH HOH E . +YB 6 HOH 181 1933 1933 HOH HOH E . +YB 6 HOH 182 1937 1937 HOH HOH E . +YB 6 HOH 183 1948 1948 HOH HOH E . +YB 6 HOH 184 1954 1954 HOH HOH E . +YB 6 HOH 185 1956 1956 HOH HOH E . +YB 6 HOH 186 1957 1957 HOH HOH E . +YB 6 HOH 187 1960 1960 HOH HOH E . +YB 6 HOH 188 1970 1970 HOH HOH E . +YB 6 HOH 189 2017 2017 HOH HOH E . +YB 6 HOH 190 2019 2019 HOH HOH E . +YB 6 HOH 191 2037 2037 HOH HOH E . +YB 6 HOH 192 2065 2065 HOH HOH E . +YB 6 HOH 193 2074 2074 HOH HOH E . +YB 6 HOH 194 2116 2116 HOH HOH E . +YB 6 HOH 195 2131 2131 HOH HOH E . +YB 6 HOH 196 2132 2132 HOH HOH E . +YB 6 HOH 197 2136 2136 HOH HOH E . +YB 6 HOH 198 2143 2143 HOH HOH E . +YB 6 HOH 199 2158 2158 HOH HOH E . +YB 6 HOH 200 2169 2169 HOH HOH E . +YB 6 HOH 201 2178 2178 HOH HOH E . +YB 6 HOH 202 2185 2185 HOH HOH E . +YB 6 HOH 203 2191 2191 HOH HOH E . +YB 6 HOH 204 2201 2201 HOH HOH E . +YB 6 HOH 205 2215 2215 HOH HOH E . +YB 6 HOH 206 2220 2220 HOH HOH E . +YB 6 HOH 207 2232 2232 HOH HOH E . +YB 6 HOH 208 2239 2239 HOH HOH E . +YB 6 HOH 209 2251 2251 HOH HOH E . +ZB 6 HOH 1 256 37 HOH HOH F . +ZB 6 HOH 2 257 257 HOH HOH F . +ZB 6 HOH 3 258 55 HOH HOH F . +ZB 6 HOH 4 259 102 HOH HOH F . +ZB 6 HOH 5 260 129 HOH HOH F . +ZB 6 HOH 6 261 137 HOH HOH F . +ZB 6 HOH 7 262 145 HOH HOH F . +ZB 6 HOH 8 263 156 HOH HOH F . +ZB 6 HOH 9 264 157 HOH HOH F . +ZB 6 HOH 10 265 167 HOH HOH F . +ZB 6 HOH 11 266 169 HOH HOH F . +ZB 6 HOH 12 267 172 HOH HOH F . +ZB 6 HOH 13 268 208 HOH HOH F . +ZB 6 HOH 14 269 211 HOH HOH F . +ZB 6 HOH 15 270 214 HOH HOH F . +ZB 6 HOH 16 271 271 HOH HOH F . +ZB 6 HOH 17 272 217 HOH HOH F . +ZB 6 HOH 18 273 223 HOH HOH F . +ZB 6 HOH 19 274 230 HOH HOH F . +ZB 6 HOH 20 275 239 HOH HOH F . +ZB 6 HOH 21 276 252 HOH HOH F . +ZB 6 HOH 22 296 296 HOH HOH F . +ZB 6 HOH 23 317 317 HOH HOH F . +ZB 6 HOH 24 334 334 HOH HOH F . +ZB 6 HOH 25 343 343 HOH HOH F . +ZB 6 HOH 26 345 345 HOH HOH F . +ZB 6 HOH 27 382 382 HOH HOH F . +ZB 6 HOH 28 388 388 HOH HOH F . +ZB 6 HOH 29 390 390 HOH HOH F . +ZB 6 HOH 30 402 402 HOH HOH F . +ZB 6 HOH 31 415 415 HOH HOH F . +ZB 6 HOH 32 428 428 HOH HOH F . +ZB 6 HOH 33 441 441 HOH HOH F . +ZB 6 HOH 34 447 447 HOH HOH F . +ZB 6 HOH 35 449 449 HOH HOH F . +ZB 6 HOH 36 459 459 HOH HOH F . +ZB 6 HOH 37 493 493 HOH HOH F . +ZB 6 HOH 38 498 498 HOH HOH F . +ZB 6 HOH 39 504 504 HOH HOH F . +ZB 6 HOH 40 528 528 HOH HOH F . +ZB 6 HOH 41 545 545 HOH HOH F . +ZB 6 HOH 42 559 559 HOH HOH F . +ZB 6 HOH 43 560 560 HOH HOH F . +ZB 6 HOH 44 566 566 HOH HOH F . +ZB 6 HOH 45 573 573 HOH HOH F . +ZB 6 HOH 46 581 581 HOH HOH F . +ZB 6 HOH 47 675 675 HOH HOH F . +ZB 6 HOH 48 677 677 HOH HOH F . +ZB 6 HOH 49 705 705 HOH HOH F . +ZB 6 HOH 50 713 713 HOH HOH F . +ZB 6 HOH 51 714 714 HOH HOH F . +ZB 6 HOH 52 761 761 HOH HOH F . +ZB 6 HOH 53 783 783 HOH HOH F . +ZB 6 HOH 54 794 794 HOH HOH F . +ZB 6 HOH 55 795 795 HOH HOH F . +ZB 6 HOH 56 804 804 HOH HOH F . +ZB 6 HOH 57 810 810 HOH HOH F . +ZB 6 HOH 58 821 821 HOH HOH F . +ZB 6 HOH 59 826 826 HOH HOH F . +ZB 6 HOH 60 829 829 HOH HOH F . +ZB 6 HOH 61 832 832 HOH HOH F . +ZB 6 HOH 62 840 840 HOH HOH F . +ZB 6 HOH 63 844 844 HOH HOH F . +ZB 6 HOH 64 854 854 HOH HOH F . +ZB 6 HOH 65 855 855 HOH HOH F . +ZB 6 HOH 66 864 864 HOH HOH F . +ZB 6 HOH 67 881 881 HOH HOH F . +ZB 6 HOH 68 883 883 HOH HOH F . +ZB 6 HOH 69 896 896 HOH HOH F . +ZB 6 HOH 70 900 900 HOH HOH F . +ZB 6 HOH 71 928 928 HOH HOH F . +ZB 6 HOH 72 930 930 HOH HOH F . +ZB 6 HOH 73 936 936 HOH HOH F . +ZB 6 HOH 74 963 963 HOH HOH F . +ZB 6 HOH 75 988 988 HOH HOH F . +ZB 6 HOH 76 997 997 HOH HOH F . +ZB 6 HOH 77 1000 1000 HOH HOH F . +ZB 6 HOH 78 1019 1019 HOH HOH F . +ZB 6 HOH 79 1030 1030 HOH HOH F . +ZB 6 HOH 80 1031 1031 HOH HOH F . +ZB 6 HOH 81 1044 1044 HOH HOH F . +ZB 6 HOH 82 1049 1049 HOH HOH F . +ZB 6 HOH 83 1050 1050 HOH HOH F . +ZB 6 HOH 84 1059 1059 HOH HOH F . +ZB 6 HOH 85 1062 1062 HOH HOH F . +ZB 6 HOH 86 1076 1076 HOH HOH F . +ZB 6 HOH 87 1080 1080 HOH HOH F . +ZB 6 HOH 88 1081 1081 HOH HOH F . +ZB 6 HOH 89 1082 1082 HOH HOH F . +ZB 6 HOH 90 1104 1104 HOH HOH F . +ZB 6 HOH 91 1105 1105 HOH HOH F . +ZB 6 HOH 92 1107 1107 HOH HOH F . +ZB 6 HOH 93 1108 1108 HOH HOH F . +ZB 6 HOH 94 1118 1118 HOH HOH F . +ZB 6 HOH 95 1124 1124 HOH HOH F . +ZB 6 HOH 96 1162 1162 HOH HOH F . +ZB 6 HOH 97 1180 1180 HOH HOH F . +ZB 6 HOH 98 1184 1184 HOH HOH F . +ZB 6 HOH 99 1193 1193 HOH HOH F . +ZB 6 HOH 100 1195 1195 HOH HOH F . +ZB 6 HOH 101 1203 1203 HOH HOH F . +ZB 6 HOH 102 1221 1221 HOH HOH F . +ZB 6 HOH 103 1231 1231 HOH HOH F . +ZB 6 HOH 104 1237 1237 HOH HOH F . +ZB 6 HOH 105 1247 1247 HOH HOH F . +ZB 6 HOH 106 1253 1253 HOH HOH F . +ZB 6 HOH 107 1255 1255 HOH HOH F . +ZB 6 HOH 108 1263 1263 HOH HOH F . +ZB 6 HOH 109 1271 1271 HOH HOH F . +ZB 6 HOH 110 1286 1286 HOH HOH F . +ZB 6 HOH 111 1289 1289 HOH HOH F . +ZB 6 HOH 112 1306 1306 HOH HOH F . +ZB 6 HOH 113 1314 1314 HOH HOH F . +ZB 6 HOH 114 1316 1316 HOH HOH F . +ZB 6 HOH 115 1330 1330 HOH HOH F . +ZB 6 HOH 116 1337 1337 HOH HOH F . +ZB 6 HOH 117 1340 1340 HOH HOH F . +ZB 6 HOH 118 1344 1344 HOH HOH F . +ZB 6 HOH 119 1389 1389 HOH HOH F . +ZB 6 HOH 120 1392 1392 HOH HOH F . +ZB 6 HOH 121 1400 1400 HOH HOH F . +ZB 6 HOH 122 1411 1411 HOH HOH F . +ZB 6 HOH 123 1415 1415 HOH HOH F . +ZB 6 HOH 124 1423 1423 HOH HOH F . +ZB 6 HOH 125 1426 1426 HOH HOH F . +ZB 6 HOH 126 1440 1440 HOH HOH F . +ZB 6 HOH 127 1449 1449 HOH HOH F . +ZB 6 HOH 128 1459 1459 HOH HOH F . +ZB 6 HOH 129 1464 1464 HOH HOH F . +ZB 6 HOH 130 1491 1491 HOH HOH F . +ZB 6 HOH 131 1492 1492 HOH HOH F . +ZB 6 HOH 132 1503 1503 HOH HOH F . +ZB 6 HOH 133 1510 1510 HOH HOH F . +ZB 6 HOH 134 1545 1545 HOH HOH F . +ZB 6 HOH 135 1552 1552 HOH HOH F . +ZB 6 HOH 136 1562 1562 HOH HOH F . +ZB 6 HOH 137 1566 1566 HOH HOH F . +ZB 6 HOH 138 1571 1571 HOH HOH F . +ZB 6 HOH 139 1575 1575 HOH HOH F . +ZB 6 HOH 140 1585 1585 HOH HOH F . +ZB 6 HOH 141 1598 1598 HOH HOH F . +ZB 6 HOH 142 1612 1612 HOH HOH F . +ZB 6 HOH 143 1613 1613 HOH HOH F . +ZB 6 HOH 144 1615 1615 HOH HOH F . +ZB 6 HOH 145 1643 1643 HOH HOH F . +ZB 6 HOH 146 1646 1646 HOH HOH F . +ZB 6 HOH 147 1654 1654 HOH HOH F . +ZB 6 HOH 148 1659 1659 HOH HOH F . +ZB 6 HOH 149 1677 1677 HOH HOH F . +ZB 6 HOH 150 1682 1682 HOH HOH F . +ZB 6 HOH 151 1689 1689 HOH HOH F . +ZB 6 HOH 152 1695 1695 HOH HOH F . +ZB 6 HOH 153 1696 1696 HOH HOH F . +ZB 6 HOH 154 1706 1706 HOH HOH F . +ZB 6 HOH 155 1729 1729 HOH HOH F . +ZB 6 HOH 156 1734 1734 HOH HOH F . +ZB 6 HOH 157 1741 1741 HOH HOH F . +ZB 6 HOH 158 1742 1742 HOH HOH F . +ZB 6 HOH 159 1760 1760 HOH HOH F . +ZB 6 HOH 160 1764 1764 HOH HOH F . +ZB 6 HOH 161 1812 1812 HOH HOH F . +ZB 6 HOH 162 1813 1813 HOH HOH F . +ZB 6 HOH 163 1820 1820 HOH HOH F . +ZB 6 HOH 164 1824 1824 HOH HOH F . +ZB 6 HOH 165 1825 1825 HOH HOH F . +ZB 6 HOH 166 1834 1834 HOH HOH F . +ZB 6 HOH 167 1836 1836 HOH HOH F . +ZB 6 HOH 168 1886 1886 HOH HOH F . +ZB 6 HOH 169 1893 1893 HOH HOH F . +ZB 6 HOH 170 1910 1910 HOH HOH F . +ZB 6 HOH 171 1919 1919 HOH HOH F . +ZB 6 HOH 172 1930 1930 HOH HOH F . +ZB 6 HOH 173 1965 1965 HOH HOH F . +ZB 6 HOH 174 1978 1978 HOH HOH F . +ZB 6 HOH 175 1979 1979 HOH HOH F . +ZB 6 HOH 176 2000 2000 HOH HOH F . +ZB 6 HOH 177 2039 2039 HOH HOH F . +ZB 6 HOH 178 2041 2041 HOH HOH F . +ZB 6 HOH 179 2045 2045 HOH HOH F . +ZB 6 HOH 180 2047 2047 HOH HOH F . +ZB 6 HOH 181 2057 2057 HOH HOH F . +ZB 6 HOH 182 2060 2060 HOH HOH F . +ZB 6 HOH 183 2072 2072 HOH HOH F . +ZB 6 HOH 184 2077 2077 HOH HOH F . +ZB 6 HOH 185 2078 2078 HOH HOH F . +ZB 6 HOH 186 2095 2095 HOH HOH F . +ZB 6 HOH 187 2097 2097 HOH HOH F . +ZB 6 HOH 188 2103 2103 HOH HOH F . +ZB 6 HOH 189 2162 2162 HOH HOH F . +ZB 6 HOH 190 2166 2166 HOH HOH F . +ZB 6 HOH 191 2172 2172 HOH HOH F . +ZB 6 HOH 192 2182 2182 HOH HOH F . +ZB 6 HOH 193 2189 2189 HOH HOH F . +ZB 6 HOH 194 2190 2190 HOH HOH F . +ZB 6 HOH 195 2209 2209 HOH HOH F . +ZB 6 HOH 196 2213 2213 HOH HOH F . +ZB 6 HOH 197 2234 2234 HOH HOH F . +ZB 6 HOH 198 2238 2238 HOH HOH F . +AC 6 HOH 1 257 52 HOH HOH G . +AC 6 HOH 2 258 72 HOH HOH G . +AC 6 HOH 3 259 97 HOH HOH G . +AC 6 HOH 4 260 100 HOH HOH G . +AC 6 HOH 5 261 118 HOH HOH G . +AC 6 HOH 6 262 136 HOH HOH G . +AC 6 HOH 7 263 158 HOH HOH G . +AC 6 HOH 8 264 179 HOH HOH G . +AC 6 HOH 9 265 199 HOH HOH G . +AC 6 HOH 10 266 266 HOH HOH G . +AC 6 HOH 11 267 201 HOH HOH G . +AC 6 HOH 12 268 203 HOH HOH G . +AC 6 HOH 13 269 248 HOH HOH G . +AC 6 HOH 14 304 304 HOH HOH G . +AC 6 HOH 15 314 314 HOH HOH G . +AC 6 HOH 16 369 369 HOH HOH G . +AC 6 HOH 17 380 380 HOH HOH G . +AC 6 HOH 18 394 394 HOH HOH G . +AC 6 HOH 19 422 422 HOH HOH G . +AC 6 HOH 20 427 427 HOH HOH G . +AC 6 HOH 21 448 448 HOH HOH G . +AC 6 HOH 22 452 452 HOH HOH G . +AC 6 HOH 23 489 489 HOH HOH G . +AC 6 HOH 24 511 511 HOH HOH G . +AC 6 HOH 25 515 515 HOH HOH G . +AC 6 HOH 26 526 526 HOH HOH G . +AC 6 HOH 27 533 533 HOH HOH G . +AC 6 HOH 28 544 544 HOH HOH G . +AC 6 HOH 29 551 551 HOH HOH G . +AC 6 HOH 30 561 561 HOH HOH G . +AC 6 HOH 31 568 568 HOH HOH G . +AC 6 HOH 32 569 569 HOH HOH G . +AC 6 HOH 33 587 587 HOH HOH G . +AC 6 HOH 34 591 591 HOH HOH G . +AC 6 HOH 35 613 613 HOH HOH G . +AC 6 HOH 36 639 639 HOH HOH G . +AC 6 HOH 37 643 643 HOH HOH G . +AC 6 HOH 38 647 647 HOH HOH G . +AC 6 HOH 39 710 710 HOH HOH G . +AC 6 HOH 40 728 728 HOH HOH G . +AC 6 HOH 41 747 747 HOH HOH G . +AC 6 HOH 42 754 754 HOH HOH G . +AC 6 HOH 43 755 755 HOH HOH G . +AC 6 HOH 44 762 762 HOH HOH G . +AC 6 HOH 45 793 793 HOH HOH G . +AC 6 HOH 46 797 797 HOH HOH G . +AC 6 HOH 47 807 807 HOH HOH G . +AC 6 HOH 48 809 809 HOH HOH G . +AC 6 HOH 49 813 813 HOH HOH G . +AC 6 HOH 50 814 814 HOH HOH G . +AC 6 HOH 51 838 838 HOH HOH G . +AC 6 HOH 52 843 843 HOH HOH G . +AC 6 HOH 53 847 847 HOH HOH G . +AC 6 HOH 54 890 890 HOH HOH G . +AC 6 HOH 55 891 891 HOH HOH G . +AC 6 HOH 56 903 903 HOH HOH G . +AC 6 HOH 57 913 913 HOH HOH G . +AC 6 HOH 58 917 917 HOH HOH G . +AC 6 HOH 59 956 956 HOH HOH G . +AC 6 HOH 60 958 958 HOH HOH G . +AC 6 HOH 61 960 960 HOH HOH G . +AC 6 HOH 62 974 974 HOH HOH G . +AC 6 HOH 63 981 981 HOH HOH G . +AC 6 HOH 64 982 982 HOH HOH G . +AC 6 HOH 65 983 983 HOH HOH G . +AC 6 HOH 66 1012 1012 HOH HOH G . +AC 6 HOH 67 1029 1029 HOH HOH G . +AC 6 HOH 68 1037 1037 HOH HOH G . +AC 6 HOH 69 1038 1038 HOH HOH G . +AC 6 HOH 70 1057 1057 HOH HOH G . +AC 6 HOH 71 1064 1064 HOH HOH G . +AC 6 HOH 72 1069 1069 HOH HOH G . +AC 6 HOH 73 1070 1070 HOH HOH G . +AC 6 HOH 74 1074 1074 HOH HOH G . +AC 6 HOH 75 1109 1109 HOH HOH G . +AC 6 HOH 76 1111 1111 HOH HOH G . +AC 6 HOH 77 1139 1139 HOH HOH G . +AC 6 HOH 78 1153 1153 HOH HOH G . +AC 6 HOH 79 1158 1158 HOH HOH G . +AC 6 HOH 80 1159 1159 HOH HOH G . +AC 6 HOH 81 1196 1196 HOH HOH G . +AC 6 HOH 82 1207 1207 HOH HOH G . +AC 6 HOH 83 1214 1214 HOH HOH G . +AC 6 HOH 84 1215 1215 HOH HOH G . +AC 6 HOH 85 1216 1216 HOH HOH G . +AC 6 HOH 86 1233 1233 HOH HOH G . +AC 6 HOH 87 1235 1235 HOH HOH G . +AC 6 HOH 88 1256 1256 HOH HOH G . +AC 6 HOH 89 1261 1261 HOH HOH G . +AC 6 HOH 90 1264 1264 HOH HOH G . +AC 6 HOH 91 1265 1265 HOH HOH G . +AC 6 HOH 92 1279 1279 HOH HOH G . +AC 6 HOH 93 1292 1292 HOH HOH G . +AC 6 HOH 94 1295 1295 HOH HOH G . +AC 6 HOH 95 1326 1326 HOH HOH G . +AC 6 HOH 96 1351 1351 HOH HOH G . +AC 6 HOH 97 1355 1355 HOH HOH G . +AC 6 HOH 98 1356 1356 HOH HOH G . +AC 6 HOH 99 1359 1359 HOH HOH G . +AC 6 HOH 100 1361 1361 HOH HOH G . +AC 6 HOH 101 1376 1376 HOH HOH G . +AC 6 HOH 102 1386 1386 HOH HOH G . +AC 6 HOH 103 1391 1391 HOH HOH G . +AC 6 HOH 104 1403 1403 HOH HOH G . +AC 6 HOH 105 1418 1418 HOH HOH G . +AC 6 HOH 106 1421 1421 HOH HOH G . +AC 6 HOH 107 1428 1428 HOH HOH G . +AC 6 HOH 108 1446 1446 HOH HOH G . +AC 6 HOH 109 1489 1489 HOH HOH G . +AC 6 HOH 110 1500 1500 HOH HOH G . +AC 6 HOH 111 1512 1512 HOH HOH G . +AC 6 HOH 112 1541 1541 HOH HOH G . +AC 6 HOH 113 1554 1554 HOH HOH G . +AC 6 HOH 114 1556 1556 HOH HOH G . +AC 6 HOH 115 1557 1557 HOH HOH G . +AC 6 HOH 116 1574 1574 HOH HOH G . +AC 6 HOH 117 1589 1589 HOH HOH G . +AC 6 HOH 118 1623 1623 HOH HOH G . +AC 6 HOH 119 1624 1624 HOH HOH G . +AC 6 HOH 120 1625 1625 HOH HOH G . +AC 6 HOH 121 1628 1628 HOH HOH G . +AC 6 HOH 122 1656 1656 HOH HOH G . +AC 6 HOH 123 1661 1661 HOH HOH G . +AC 6 HOH 124 1672 1672 HOH HOH G . +AC 6 HOH 125 1674 1674 HOH HOH G . +AC 6 HOH 126 1690 1690 HOH HOH G . +AC 6 HOH 127 1691 1691 HOH HOH G . +AC 6 HOH 128 1699 1699 HOH HOH G . +AC 6 HOH 129 1712 1712 HOH HOH G . +AC 6 HOH 130 1713 1713 HOH HOH G . +AC 6 HOH 131 1719 1719 HOH HOH G . +AC 6 HOH 132 1757 1757 HOH HOH G . +AC 6 HOH 133 1765 1765 HOH HOH G . +AC 6 HOH 134 1768 1768 HOH HOH G . +AC 6 HOH 135 1785 1785 HOH HOH G . +AC 6 HOH 136 1792 1792 HOH HOH G . +AC 6 HOH 137 1805 1805 HOH HOH G . +AC 6 HOH 138 1816 1816 HOH HOH G . +AC 6 HOH 139 1823 1823 HOH HOH G . +AC 6 HOH 140 1845 1845 HOH HOH G . +AC 6 HOH 141 1846 1846 HOH HOH G . +AC 6 HOH 142 1870 1870 HOH HOH G . +AC 6 HOH 143 1874 1874 HOH HOH G . +AC 6 HOH 144 1875 1875 HOH HOH G . +AC 6 HOH 145 1891 1891 HOH HOH G . +AC 6 HOH 146 1894 1894 HOH HOH G . +AC 6 HOH 147 1900 1900 HOH HOH G . +AC 6 HOH 148 1917 1917 HOH HOH G . +AC 6 HOH 149 1922 1922 HOH HOH G . +AC 6 HOH 150 1935 1935 HOH HOH G . +AC 6 HOH 151 1946 1946 HOH HOH G . +AC 6 HOH 152 1997 1997 HOH HOH G . +AC 6 HOH 153 2016 2016 HOH HOH G . +AC 6 HOH 154 2020 2020 HOH HOH G . +AC 6 HOH 155 2021 2021 HOH HOH G . +AC 6 HOH 156 2023 2023 HOH HOH G . +AC 6 HOH 157 2024 2024 HOH HOH G . +AC 6 HOH 158 2040 2040 HOH HOH G . +AC 6 HOH 159 2054 2054 HOH HOH G . +AC 6 HOH 160 2063 2063 HOH HOH G . +AC 6 HOH 161 2075 2075 HOH HOH G . +AC 6 HOH 162 2089 2089 HOH HOH G . +AC 6 HOH 163 2096 2096 HOH HOH G . +AC 6 HOH 164 2098 2098 HOH HOH G . +AC 6 HOH 165 2122 2122 HOH HOH G . +AC 6 HOH 166 2125 2125 HOH HOH G . +AC 6 HOH 167 2127 2127 HOH HOH G . +AC 6 HOH 168 2155 2155 HOH HOH G . +AC 6 HOH 169 2164 2164 HOH HOH G . +AC 6 HOH 170 2181 2181 HOH HOH G . +AC 6 HOH 171 2197 2197 HOH HOH G . +AC 6 HOH 172 2222 2222 HOH HOH G . +AC 6 HOH 173 2226 2226 HOH HOH G . +AC 6 HOH 174 2227 2227 HOH HOH G . +AC 6 HOH 175 2250 2250 HOH HOH G . +AC 6 HOH 176 2253 2253 HOH HOH G . +BC 6 HOH 1 255 44 HOH HOH H . +BC 6 HOH 2 256 53 HOH HOH H . +BC 6 HOH 3 257 54 HOH HOH H . +BC 6 HOH 4 258 57 HOH HOH H . +BC 6 HOH 5 259 62 HOH HOH H . +BC 6 HOH 6 260 67 HOH HOH H . +BC 6 HOH 7 261 87 HOH HOH H . +BC 6 HOH 8 262 95 HOH HOH H . +BC 6 HOH 9 263 101 HOH HOH H . +BC 6 HOH 10 264 107 HOH HOH H . +BC 6 HOH 11 265 134 HOH HOH H . +BC 6 HOH 12 266 155 HOH HOH H . +BC 6 HOH 13 267 159 HOH HOH H . +BC 6 HOH 14 268 164 HOH HOH H . +BC 6 HOH 15 269 269 HOH HOH H . +BC 6 HOH 16 270 180 HOH HOH H . +BC 6 HOH 17 271 187 HOH HOH H . +BC 6 HOH 18 272 194 HOH HOH H . +BC 6 HOH 19 273 200 HOH HOH H . +BC 6 HOH 20 274 204 HOH HOH H . +BC 6 HOH 21 275 207 HOH HOH H . +BC 6 HOH 22 276 212 HOH HOH H . +BC 6 HOH 23 277 277 HOH HOH H . +BC 6 HOH 24 278 221 HOH HOH H . +BC 6 HOH 25 279 279 HOH HOH H . +BC 6 HOH 26 280 233 HOH HOH H . +BC 6 HOH 27 281 235 HOH HOH H . +BC 6 HOH 28 282 245 HOH HOH H . +BC 6 HOH 29 300 300 HOH HOH H . +BC 6 HOH 30 340 340 HOH HOH H . +BC 6 HOH 31 352 352 HOH HOH H . +BC 6 HOH 32 354 354 HOH HOH H . +BC 6 HOH 33 356 356 HOH HOH H . +BC 6 HOH 34 357 357 HOH HOH H . +BC 6 HOH 35 372 372 HOH HOH H . +BC 6 HOH 36 373 373 HOH HOH H . +BC 6 HOH 37 400 400 HOH HOH H . +BC 6 HOH 38 404 404 HOH HOH H . +BC 6 HOH 39 414 414 HOH HOH H . +BC 6 HOH 40 417 417 HOH HOH H . +BC 6 HOH 41 418 418 HOH HOH H . +BC 6 HOH 42 426 426 HOH HOH H . +BC 6 HOH 43 432 432 HOH HOH H . +BC 6 HOH 44 476 476 HOH HOH H . +BC 6 HOH 45 486 486 HOH HOH H . +BC 6 HOH 46 488 488 HOH HOH H . +BC 6 HOH 47 495 495 HOH HOH H . +BC 6 HOH 48 513 513 HOH HOH H . +BC 6 HOH 49 529 529 HOH HOH H . +BC 6 HOH 50 535 535 HOH HOH H . +BC 6 HOH 51 537 537 HOH HOH H . +BC 6 HOH 52 539 539 HOH HOH H . +BC 6 HOH 53 541 541 HOH HOH H . +BC 6 HOH 54 543 543 HOH HOH H . +BC 6 HOH 55 546 546 HOH HOH H . +BC 6 HOH 56 547 547 HOH HOH H . +BC 6 HOH 57 555 555 HOH HOH H . +BC 6 HOH 58 574 574 HOH HOH H . +BC 6 HOH 59 577 577 HOH HOH H . +BC 6 HOH 60 599 599 HOH HOH H . +BC 6 HOH 61 600 600 HOH HOH H . +BC 6 HOH 62 607 607 HOH HOH H . +BC 6 HOH 63 614 614 HOH HOH H . +BC 6 HOH 64 618 618 HOH HOH H . +BC 6 HOH 65 631 631 HOH HOH H . +BC 6 HOH 66 632 632 HOH HOH H . +BC 6 HOH 67 637 637 HOH HOH H . +BC 6 HOH 68 653 653 HOH HOH H . +BC 6 HOH 69 654 654 HOH HOH H . +BC 6 HOH 70 671 671 HOH HOH H . +BC 6 HOH 71 672 672 HOH HOH H . +BC 6 HOH 72 682 682 HOH HOH H . +BC 6 HOH 73 695 695 HOH HOH H . +BC 6 HOH 74 708 708 HOH HOH H . +BC 6 HOH 75 734 734 HOH HOH H . +BC 6 HOH 76 751 751 HOH HOH H . +BC 6 HOH 77 766 766 HOH HOH H . +BC 6 HOH 78 769 769 HOH HOH H . +BC 6 HOH 79 773 773 HOH HOH H . +BC 6 HOH 80 774 774 HOH HOH H . +BC 6 HOH 81 777 777 HOH HOH H . +BC 6 HOH 82 789 789 HOH HOH H . +BC 6 HOH 83 799 799 HOH HOH H . +BC 6 HOH 84 805 805 HOH HOH H . +BC 6 HOH 85 817 817 HOH HOH H . +BC 6 HOH 86 824 824 HOH HOH H . +BC 6 HOH 87 828 828 HOH HOH H . +BC 6 HOH 88 862 862 HOH HOH H . +BC 6 HOH 89 863 863 HOH HOH H . +BC 6 HOH 90 865 865 HOH HOH H . +BC 6 HOH 91 870 870 HOH HOH H . +BC 6 HOH 92 872 872 HOH HOH H . +BC 6 HOH 93 874 874 HOH HOH H . +BC 6 HOH 94 886 886 HOH HOH H . +BC 6 HOH 95 911 911 HOH HOH H . +BC 6 HOH 96 916 916 HOH HOH H . +BC 6 HOH 97 919 919 HOH HOH H . +BC 6 HOH 98 921 921 HOH HOH H . +BC 6 HOH 99 924 924 HOH HOH H . +BC 6 HOH 100 931 931 HOH HOH H . +BC 6 HOH 101 932 932 HOH HOH H . +BC 6 HOH 102 946 946 HOH HOH H . +BC 6 HOH 103 949 949 HOH HOH H . +BC 6 HOH 104 955 955 HOH HOH H . +BC 6 HOH 105 959 959 HOH HOH H . +BC 6 HOH 106 970 970 HOH HOH H . +BC 6 HOH 107 978 978 HOH HOH H . +BC 6 HOH 108 1021 1021 HOH HOH H . +BC 6 HOH 109 1052 1052 HOH HOH H . +BC 6 HOH 110 1068 1068 HOH HOH H . +BC 6 HOH 111 1106 1106 HOH HOH H . +BC 6 HOH 112 1113 1113 HOH HOH H . +BC 6 HOH 113 1117 1117 HOH HOH H . +BC 6 HOH 114 1129 1129 HOH HOH H . +BC 6 HOH 115 1131 1131 HOH HOH H . +BC 6 HOH 116 1132 1132 HOH HOH H . +BC 6 HOH 117 1152 1152 HOH HOH H . +BC 6 HOH 118 1186 1186 HOH HOH H . +BC 6 HOH 119 1190 1190 HOH HOH H . +BC 6 HOH 120 1192 1192 HOH HOH H . +BC 6 HOH 121 1219 1219 HOH HOH H . +BC 6 HOH 122 1222 1222 HOH HOH H . +BC 6 HOH 123 1223 1223 HOH HOH H . +BC 6 HOH 124 1236 1236 HOH HOH H . +BC 6 HOH 125 1245 1245 HOH HOH H . +BC 6 HOH 126 1248 1248 HOH HOH H . +BC 6 HOH 127 1257 1257 HOH HOH H . +BC 6 HOH 128 1268 1268 HOH HOH H . +BC 6 HOH 129 1269 1269 HOH HOH H . +BC 6 HOH 130 1276 1276 HOH HOH H . +BC 6 HOH 131 1280 1280 HOH HOH H . +BC 6 HOH 132 1290 1290 HOH HOH H . +BC 6 HOH 133 1299 1299 HOH HOH H . +BC 6 HOH 134 1317 1317 HOH HOH H . +BC 6 HOH 135 1328 1328 HOH HOH H . +BC 6 HOH 136 1331 1331 HOH HOH H . +BC 6 HOH 137 1394 1394 HOH HOH H . +BC 6 HOH 138 1427 1427 HOH HOH H . +BC 6 HOH 139 1436 1436 HOH HOH H . +BC 6 HOH 140 1457 1457 HOH HOH H . +BC 6 HOH 141 1463 1463 HOH HOH H . +BC 6 HOH 142 1468 1468 HOH HOH H . +BC 6 HOH 143 1470 1470 HOH HOH H . +BC 6 HOH 144 1479 1479 HOH HOH H . +BC 6 HOH 145 1481 1481 HOH HOH H . +BC 6 HOH 146 1494 1494 HOH HOH H . +BC 6 HOH 147 1499 1499 HOH HOH H . +BC 6 HOH 148 1517 1517 HOH HOH H . +BC 6 HOH 149 1519 1519 HOH HOH H . +BC 6 HOH 150 1520 1520 HOH HOH H . +BC 6 HOH 151 1540 1540 HOH HOH H . +BC 6 HOH 152 1553 1553 HOH HOH H . +BC 6 HOH 153 1555 1555 HOH HOH H . +BC 6 HOH 154 1569 1569 HOH HOH H . +BC 6 HOH 155 1572 1572 HOH HOH H . +BC 6 HOH 156 1587 1587 HOH HOH H . +BC 6 HOH 157 1588 1588 HOH HOH H . +BC 6 HOH 158 1590 1590 HOH HOH H . +BC 6 HOH 159 1593 1593 HOH HOH H . +BC 6 HOH 160 1596 1596 HOH HOH H . +BC 6 HOH 161 1600 1600 HOH HOH H . +BC 6 HOH 162 1601 1601 HOH HOH H . +BC 6 HOH 163 1606 1606 HOH HOH H . +BC 6 HOH 164 1609 1609 HOH HOH H . +BC 6 HOH 165 1617 1617 HOH HOH H . +BC 6 HOH 166 1626 1626 HOH HOH H . +BC 6 HOH 167 1632 1632 HOH HOH H . +BC 6 HOH 168 1636 1636 HOH HOH H . +BC 6 HOH 169 1637 1637 HOH HOH H . +BC 6 HOH 170 1639 1639 HOH HOH H . +BC 6 HOH 171 1640 1640 HOH HOH H . +BC 6 HOH 172 1645 1645 HOH HOH H . +BC 6 HOH 173 1658 1658 HOH HOH H . +BC 6 HOH 174 1660 1660 HOH HOH H . +BC 6 HOH 175 1666 1666 HOH HOH H . +BC 6 HOH 176 1686 1686 HOH HOH H . +BC 6 HOH 177 1692 1692 HOH HOH H . +BC 6 HOH 178 1702 1702 HOH HOH H . +BC 6 HOH 179 1714 1714 HOH HOH H . +BC 6 HOH 180 1718 1718 HOH HOH H . +BC 6 HOH 181 1739 1739 HOH HOH H . +BC 6 HOH 182 1771 1771 HOH HOH H . +BC 6 HOH 183 1797 1797 HOH HOH H . +BC 6 HOH 184 1798 1798 HOH HOH H . +BC 6 HOH 185 1817 1817 HOH HOH H . +BC 6 HOH 186 1818 1818 HOH HOH H . +BC 6 HOH 187 1827 1827 HOH HOH H . +BC 6 HOH 188 1828 1828 HOH HOH H . +BC 6 HOH 189 1832 1832 HOH HOH H . +BC 6 HOH 190 1833 1833 HOH HOH H . +BC 6 HOH 191 1841 1841 HOH HOH H . +BC 6 HOH 192 1863 1863 HOH HOH H . +BC 6 HOH 193 1864 1864 HOH HOH H . +BC 6 HOH 194 1868 1868 HOH HOH H . +BC 6 HOH 195 1876 1876 HOH HOH H . +BC 6 HOH 196 1899 1899 HOH HOH H . +BC 6 HOH 197 1902 1902 HOH HOH H . +BC 6 HOH 198 1914 1914 HOH HOH H . +BC 6 HOH 199 1928 1928 HOH HOH H . +BC 6 HOH 200 1952 1952 HOH HOH H . +BC 6 HOH 201 1953 1953 HOH HOH H . +BC 6 HOH 202 1975 1975 HOH HOH H . +BC 6 HOH 203 1985 1985 HOH HOH H . +BC 6 HOH 204 1987 1987 HOH HOH H . +BC 6 HOH 205 2007 2007 HOH HOH H . +BC 6 HOH 206 2011 2011 HOH HOH H . +BC 6 HOH 207 2014 2014 HOH HOH H . +BC 6 HOH 208 2026 2026 HOH HOH H . +BC 6 HOH 209 2028 2028 HOH HOH H . +BC 6 HOH 210 2038 2038 HOH HOH H . +BC 6 HOH 211 2042 2042 HOH HOH H . +BC 6 HOH 212 2059 2059 HOH HOH H . +BC 6 HOH 213 2081 2081 HOH HOH H . +BC 6 HOH 214 2084 2084 HOH HOH H . +BC 6 HOH 215 2086 2086 HOH HOH H . +BC 6 HOH 216 2092 2092 HOH HOH H . +BC 6 HOH 217 2108 2108 HOH HOH H . +BC 6 HOH 218 2109 2109 HOH HOH H . +BC 6 HOH 219 2114 2114 HOH HOH H . +BC 6 HOH 220 2119 2119 HOH HOH H . +BC 6 HOH 221 2124 2124 HOH HOH H . +BC 6 HOH 222 2130 2130 HOH HOH H . +BC 6 HOH 223 2186 2186 HOH HOH H . +BC 6 HOH 224 2187 2187 HOH HOH H . +BC 6 HOH 225 2188 2188 HOH HOH H . +BC 6 HOH 226 2203 2203 HOH HOH H . +BC 6 HOH 227 2207 2207 HOH HOH H . +BC 6 HOH 228 2218 2218 HOH HOH H . +BC 6 HOH 229 2224 2224 HOH HOH H . +BC 6 HOH 230 2229 2229 HOH HOH H . +BC 6 HOH 231 2240 2240 HOH HOH H . +CC 6 HOH 1 257 39 HOH HOH I . +CC 6 HOH 2 258 41 HOH HOH I . +CC 6 HOH 3 259 60 HOH HOH I . +CC 6 HOH 4 260 74 HOH HOH I . +CC 6 HOH 5 261 261 HOH HOH I . +CC 6 HOH 6 262 262 HOH HOH I . +CC 6 HOH 7 263 76 HOH HOH I . +CC 6 HOH 8 264 80 HOH HOH I . +CC 6 HOH 9 265 112 HOH HOH I . +CC 6 HOH 10 266 113 HOH HOH I . +CC 6 HOH 11 267 267 HOH HOH I . +CC 6 HOH 12 268 116 HOH HOH I . +CC 6 HOH 13 269 135 HOH HOH I . +CC 6 HOH 14 270 270 HOH HOH I . +CC 6 HOH 15 271 138 HOH HOH I . +CC 6 HOH 16 272 142 HOH HOH I . +CC 6 HOH 17 273 146 HOH HOH I . +CC 6 HOH 18 274 148 HOH HOH I . +CC 6 HOH 19 275 150 HOH HOH I . +CC 6 HOH 20 276 189 HOH HOH I . +CC 6 HOH 21 277 236 HOH HOH I . +CC 6 HOH 22 278 255 HOH HOH I . +CC 6 HOH 23 289 289 HOH HOH I . +CC 6 HOH 24 299 299 HOH HOH I . +CC 6 HOH 25 303 303 HOH HOH I . +CC 6 HOH 26 305 305 HOH HOH I . +CC 6 HOH 27 310 310 HOH HOH I . +CC 6 HOH 28 319 319 HOH HOH I . +CC 6 HOH 29 324 324 HOH HOH I . +CC 6 HOH 30 325 325 HOH HOH I . +CC 6 HOH 31 339 339 HOH HOH I . +CC 6 HOH 32 347 347 HOH HOH I . +CC 6 HOH 33 348 348 HOH HOH I . +CC 6 HOH 34 366 366 HOH HOH I . +CC 6 HOH 35 371 371 HOH HOH I . +CC 6 HOH 36 378 378 HOH HOH I . +CC 6 HOH 37 379 379 HOH HOH I . +CC 6 HOH 38 397 397 HOH HOH I . +CC 6 HOH 39 405 405 HOH HOH I . +CC 6 HOH 40 406 406 HOH HOH I . +CC 6 HOH 41 412 412 HOH HOH I . +CC 6 HOH 42 413 413 HOH HOH I . +CC 6 HOH 43 456 456 HOH HOH I . +CC 6 HOH 44 462 462 HOH HOH I . +CC 6 HOH 45 465 465 HOH HOH I . +CC 6 HOH 46 475 475 HOH HOH I . +CC 6 HOH 47 477 477 HOH HOH I . +CC 6 HOH 48 479 479 HOH HOH I . +CC 6 HOH 49 494 494 HOH HOH I . +CC 6 HOH 50 506 506 HOH HOH I . +CC 6 HOH 51 508 508 HOH HOH I . +CC 6 HOH 52 516 516 HOH HOH I . +CC 6 HOH 53 518 518 HOH HOH I . +CC 6 HOH 54 519 519 HOH HOH I . +CC 6 HOH 55 531 531 HOH HOH I . +CC 6 HOH 56 542 542 HOH HOH I . +CC 6 HOH 57 553 553 HOH HOH I . +CC 6 HOH 58 557 557 HOH HOH I . +CC 6 HOH 59 564 564 HOH HOH I . +CC 6 HOH 60 570 570 HOH HOH I . +CC 6 HOH 61 580 580 HOH HOH I . +CC 6 HOH 62 583 583 HOH HOH I . +CC 6 HOH 63 601 601 HOH HOH I . +CC 6 HOH 64 610 610 HOH HOH I . +CC 6 HOH 65 625 625 HOH HOH I . +CC 6 HOH 66 638 638 HOH HOH I . +CC 6 HOH 67 665 665 HOH HOH I . +CC 6 HOH 68 692 692 HOH HOH I . +CC 6 HOH 69 693 693 HOH HOH I . +CC 6 HOH 70 694 694 HOH HOH I . +CC 6 HOH 71 698 698 HOH HOH I . +CC 6 HOH 72 701 701 HOH HOH I . +CC 6 HOH 73 716 716 HOH HOH I . +CC 6 HOH 74 725 725 HOH HOH I . +CC 6 HOH 75 730 730 HOH HOH I . +CC 6 HOH 76 732 732 HOH HOH I . +CC 6 HOH 77 742 742 HOH HOH I . +CC 6 HOH 78 781 781 HOH HOH I . +CC 6 HOH 79 822 822 HOH HOH I . +CC 6 HOH 80 846 846 HOH HOH I . +CC 6 HOH 81 871 871 HOH HOH I . +CC 6 HOH 82 920 920 HOH HOH I . +CC 6 HOH 83 922 922 HOH HOH I . +CC 6 HOH 84 927 927 HOH HOH I . +CC 6 HOH 85 937 937 HOH HOH I . +CC 6 HOH 86 939 939 HOH HOH I . +CC 6 HOH 87 940 940 HOH HOH I . +CC 6 HOH 88 953 953 HOH HOH I . +CC 6 HOH 89 993 993 HOH HOH I . +CC 6 HOH 90 1017 1017 HOH HOH I . +CC 6 HOH 91 1024 1024 HOH HOH I . +CC 6 HOH 92 1033 1033 HOH HOH I . +CC 6 HOH 93 1055 1055 HOH HOH I . +CC 6 HOH 94 1058 1058 HOH HOH I . +CC 6 HOH 95 1075 1075 HOH HOH I . +CC 6 HOH 96 1079 1079 HOH HOH I . +CC 6 HOH 97 1087 1087 HOH HOH I . +CC 6 HOH 98 1089 1089 HOH HOH I . +CC 6 HOH 99 1100 1100 HOH HOH I . +CC 6 HOH 100 1110 1110 HOH HOH I . +CC 6 HOH 101 1115 1115 HOH HOH I . +CC 6 HOH 102 1121 1121 HOH HOH I . +CC 6 HOH 103 1182 1182 HOH HOH I . +CC 6 HOH 104 1208 1208 HOH HOH I . +CC 6 HOH 105 1213 1213 HOH HOH I . +CC 6 HOH 106 1228 1228 HOH HOH I . +CC 6 HOH 107 1239 1239 HOH HOH I . +CC 6 HOH 108 1241 1241 HOH HOH I . +CC 6 HOH 109 1267 1267 HOH HOH I . +CC 6 HOH 110 1275 1275 HOH HOH I . +CC 6 HOH 111 1283 1283 HOH HOH I . +CC 6 HOH 112 1284 1284 HOH HOH I . +CC 6 HOH 113 1285 1285 HOH HOH I . +CC 6 HOH 114 1309 1309 HOH HOH I . +CC 6 HOH 115 1321 1321 HOH HOH I . +CC 6 HOH 116 1332 1332 HOH HOH I . +CC 6 HOH 117 1334 1334 HOH HOH I . +CC 6 HOH 118 1360 1360 HOH HOH I . +CC 6 HOH 119 1369 1369 HOH HOH I . +CC 6 HOH 120 1385 1385 HOH HOH I . +CC 6 HOH 121 1396 1396 HOH HOH I . +CC 6 HOH 122 1401 1401 HOH HOH I . +CC 6 HOH 123 1407 1407 HOH HOH I . +CC 6 HOH 124 1409 1409 HOH HOH I . +CC 6 HOH 125 1410 1410 HOH HOH I . +CC 6 HOH 126 1412 1412 HOH HOH I . +CC 6 HOH 127 1420 1420 HOH HOH I . +CC 6 HOH 128 1433 1433 HOH HOH I . +CC 6 HOH 129 1434 1434 HOH HOH I . +CC 6 HOH 130 1442 1442 HOH HOH I . +CC 6 HOH 131 1443 1443 HOH HOH I . +CC 6 HOH 132 1450 1450 HOH HOH I . +CC 6 HOH 133 1461 1461 HOH HOH I . +CC 6 HOH 134 1475 1475 HOH HOH I . +CC 6 HOH 135 1476 1476 HOH HOH I . +CC 6 HOH 136 1501 1501 HOH HOH I . +CC 6 HOH 137 1502 1502 HOH HOH I . +CC 6 HOH 138 1528 1528 HOH HOH I . +CC 6 HOH 139 1538 1538 HOH HOH I . +CC 6 HOH 140 1544 1544 HOH HOH I . +CC 6 HOH 141 1550 1550 HOH HOH I . +CC 6 HOH 142 1560 1560 HOH HOH I . +CC 6 HOH 143 1565 1565 HOH HOH I . +CC 6 HOH 144 1570 1570 HOH HOH I . +CC 6 HOH 145 1577 1577 HOH HOH I . +CC 6 HOH 146 1591 1591 HOH HOH I . +CC 6 HOH 147 1597 1597 HOH HOH I . +CC 6 HOH 148 1602 1602 HOH HOH I . +CC 6 HOH 149 1608 1608 HOH HOH I . +CC 6 HOH 150 1621 1621 HOH HOH I . +CC 6 HOH 151 1631 1631 HOH HOH I . +CC 6 HOH 152 1675 1675 HOH HOH I . +CC 6 HOH 153 1700 1700 HOH HOH I . +CC 6 HOH 154 1708 1708 HOH HOH I . +CC 6 HOH 155 1721 1721 HOH HOH I . +CC 6 HOH 156 1733 1733 HOH HOH I . +CC 6 HOH 157 1737 1737 HOH HOH I . +CC 6 HOH 158 1761 1761 HOH HOH I . +CC 6 HOH 159 1763 1763 HOH HOH I . +CC 6 HOH 160 1766 1766 HOH HOH I . +CC 6 HOH 161 1779 1779 HOH HOH I . +CC 6 HOH 162 1789 1789 HOH HOH I . +CC 6 HOH 163 1802 1802 HOH HOH I . +CC 6 HOH 164 1803 1803 HOH HOH I . +CC 6 HOH 165 1829 1829 HOH HOH I . +CC 6 HOH 166 1837 1837 HOH HOH I . +CC 6 HOH 167 1839 1839 HOH HOH I . +CC 6 HOH 168 1853 1853 HOH HOH I . +CC 6 HOH 169 1866 1866 HOH HOH I . +CC 6 HOH 170 1921 1921 HOH HOH I . +CC 6 HOH 171 1934 1934 HOH HOH I . +CC 6 HOH 172 1944 1944 HOH HOH I . +CC 6 HOH 173 1947 1947 HOH HOH I . +CC 6 HOH 174 1959 1959 HOH HOH I . +CC 6 HOH 175 1972 1972 HOH HOH I . +CC 6 HOH 176 1974 1974 HOH HOH I . +CC 6 HOH 177 1981 1981 HOH HOH I . +CC 6 HOH 178 1992 1992 HOH HOH I . +CC 6 HOH 179 1994 1994 HOH HOH I . +CC 6 HOH 180 1996 1996 HOH HOH I . +CC 6 HOH 181 2006 2006 HOH HOH I . +CC 6 HOH 182 2030 2030 HOH HOH I . +CC 6 HOH 183 2031 2031 HOH HOH I . +CC 6 HOH 184 2033 2033 HOH HOH I . +CC 6 HOH 185 2062 2062 HOH HOH I . +CC 6 HOH 186 2090 2090 HOH HOH I . +CC 6 HOH 187 2104 2104 HOH HOH I . +CC 6 HOH 188 2112 2112 HOH HOH I . +CC 6 HOH 189 2113 2113 HOH HOH I . +CC 6 HOH 190 2126 2126 HOH HOH I . +CC 6 HOH 191 2133 2133 HOH HOH I . +CC 6 HOH 192 2148 2148 HOH HOH I . +CC 6 HOH 193 2154 2154 HOH HOH I . +CC 6 HOH 194 2160 2160 HOH HOH I . +CC 6 HOH 195 2204 2204 HOH HOH I . +CC 6 HOH 196 2205 2205 HOH HOH I . +CC 6 HOH 197 2212 2212 HOH HOH I . +CC 6 HOH 198 2214 2214 HOH HOH I . +CC 6 HOH 199 2219 2219 HOH HOH I . +CC 6 HOH 200 2221 2221 HOH HOH I . +CC 6 HOH 201 2225 2225 HOH HOH I . +CC 6 HOH 202 2230 2230 HOH HOH I . +CC 6 HOH 203 2237 2237 HOH HOH I . +CC 6 HOH 204 2243 2243 HOH HOH I . +DC 6 HOH 1 257 51 HOH HOH J . +DC 6 HOH 2 258 71 HOH HOH J . +DC 6 HOH 3 259 89 HOH HOH J . +DC 6 HOH 4 260 104 HOH HOH J . +DC 6 HOH 5 261 109 HOH HOH J . +DC 6 HOH 6 262 114 HOH HOH J . +DC 6 HOH 7 263 124 HOH HOH J . +DC 6 HOH 8 264 264 HOH HOH J . +DC 6 HOH 9 265 143 HOH HOH J . +DC 6 HOH 10 266 147 HOH HOH J . +DC 6 HOH 11 267 175 HOH HOH J . +DC 6 HOH 12 268 181 HOH HOH J . +DC 6 HOH 13 269 197 HOH HOH J . +DC 6 HOH 14 270 229 HOH HOH J . +DC 6 HOH 15 271 234 HOH HOH J . +DC 6 HOH 16 272 242 HOH HOH J . +DC 6 HOH 17 273 247 HOH HOH J . +DC 6 HOH 18 291 291 HOH HOH J . +DC 6 HOH 19 341 341 HOH HOH J . +DC 6 HOH 20 349 349 HOH HOH J . +DC 6 HOH 21 364 364 HOH HOH J . +DC 6 HOH 22 368 368 HOH HOH J . +DC 6 HOH 23 370 370 HOH HOH J . +DC 6 HOH 24 376 376 HOH HOH J . +DC 6 HOH 25 383 383 HOH HOH J . +DC 6 HOH 26 403 403 HOH HOH J . +DC 6 HOH 27 420 420 HOH HOH J . +DC 6 HOH 28 433 433 HOH HOH J . +DC 6 HOH 29 435 435 HOH HOH J . +DC 6 HOH 30 443 443 HOH HOH J . +DC 6 HOH 31 461 461 HOH HOH J . +DC 6 HOH 32 467 467 HOH HOH J . +DC 6 HOH 33 480 480 HOH HOH J . +DC 6 HOH 34 487 487 HOH HOH J . +DC 6 HOH 35 503 503 HOH HOH J . +DC 6 HOH 36 517 517 HOH HOH J . +DC 6 HOH 37 521 521 HOH HOH J . +DC 6 HOH 38 532 532 HOH HOH J . +DC 6 HOH 39 550 550 HOH HOH J . +DC 6 HOH 40 552 552 HOH HOH J . +DC 6 HOH 41 554 554 HOH HOH J . +DC 6 HOH 42 565 565 HOH HOH J . +DC 6 HOH 43 575 575 HOH HOH J . +DC 6 HOH 44 589 589 HOH HOH J . +DC 6 HOH 45 605 605 HOH HOH J . +DC 6 HOH 46 606 606 HOH HOH J . +DC 6 HOH 47 620 620 HOH HOH J . +DC 6 HOH 48 646 646 HOH HOH J . +DC 6 HOH 49 650 650 HOH HOH J . +DC 6 HOH 50 661 661 HOH HOH J . +DC 6 HOH 51 679 679 HOH HOH J . +DC 6 HOH 52 684 684 HOH HOH J . +DC 6 HOH 53 699 699 HOH HOH J . +DC 6 HOH 54 757 757 HOH HOH J . +DC 6 HOH 55 765 765 HOH HOH J . +DC 6 HOH 56 772 772 HOH HOH J . +DC 6 HOH 57 778 778 HOH HOH J . +DC 6 HOH 58 790 790 HOH HOH J . +DC 6 HOH 59 796 796 HOH HOH J . +DC 6 HOH 60 806 806 HOH HOH J . +DC 6 HOH 61 823 823 HOH HOH J . +DC 6 HOH 62 837 837 HOH HOH J . +DC 6 HOH 63 851 851 HOH HOH J . +DC 6 HOH 64 875 875 HOH HOH J . +DC 6 HOH 65 878 878 HOH HOH J . +DC 6 HOH 66 893 893 HOH HOH J . +DC 6 HOH 67 894 894 HOH HOH J . +DC 6 HOH 68 914 914 HOH HOH J . +DC 6 HOH 69 947 947 HOH HOH J . +DC 6 HOH 70 952 952 HOH HOH J . +DC 6 HOH 71 962 962 HOH HOH J . +DC 6 HOH 72 966 966 HOH HOH J . +DC 6 HOH 73 975 975 HOH HOH J . +DC 6 HOH 74 984 984 HOH HOH J . +DC 6 HOH 75 986 986 HOH HOH J . +DC 6 HOH 76 990 990 HOH HOH J . +DC 6 HOH 77 1014 1014 HOH HOH J . +DC 6 HOH 78 1020 1020 HOH HOH J . +DC 6 HOH 79 1025 1025 HOH HOH J . +DC 6 HOH 80 1028 1028 HOH HOH J . +DC 6 HOH 81 1046 1046 HOH HOH J . +DC 6 HOH 82 1048 1048 HOH HOH J . +DC 6 HOH 83 1099 1099 HOH HOH J . +DC 6 HOH 84 1116 1116 HOH HOH J . +DC 6 HOH 85 1120 1120 HOH HOH J . +DC 6 HOH 86 1122 1122 HOH HOH J . +DC 6 HOH 87 1134 1134 HOH HOH J . +DC 6 HOH 88 1140 1140 HOH HOH J . +DC 6 HOH 89 1141 1141 HOH HOH J . +DC 6 HOH 90 1148 1148 HOH HOH J . +DC 6 HOH 91 1166 1166 HOH HOH J . +DC 6 HOH 92 1197 1197 HOH HOH J . +DC 6 HOH 93 1212 1212 HOH HOH J . +DC 6 HOH 94 1262 1262 HOH HOH J . +DC 6 HOH 95 1287 1287 HOH HOH J . +DC 6 HOH 96 1288 1288 HOH HOH J . +DC 6 HOH 97 1308 1308 HOH HOH J . +DC 6 HOH 98 1322 1322 HOH HOH J . +DC 6 HOH 99 1324 1324 HOH HOH J . +DC 6 HOH 100 1325 1325 HOH HOH J . +DC 6 HOH 101 1341 1341 HOH HOH J . +DC 6 HOH 102 1354 1354 HOH HOH J . +DC 6 HOH 103 1365 1365 HOH HOH J . +DC 6 HOH 104 1367 1367 HOH HOH J . +DC 6 HOH 105 1375 1375 HOH HOH J . +DC 6 HOH 106 1384 1384 HOH HOH J . +DC 6 HOH 107 1387 1387 HOH HOH J . +DC 6 HOH 108 1398 1398 HOH HOH J . +DC 6 HOH 109 1399 1399 HOH HOH J . +DC 6 HOH 110 1406 1406 HOH HOH J . +DC 6 HOH 111 1425 1425 HOH HOH J . +DC 6 HOH 112 1488 1488 HOH HOH J . +DC 6 HOH 113 1531 1531 HOH HOH J . +DC 6 HOH 114 1535 1535 HOH HOH J . +DC 6 HOH 115 1537 1537 HOH HOH J . +DC 6 HOH 116 1559 1559 HOH HOH J . +DC 6 HOH 117 1564 1564 HOH HOH J . +DC 6 HOH 118 1568 1568 HOH HOH J . +DC 6 HOH 119 1582 1582 HOH HOH J . +DC 6 HOH 120 1618 1618 HOH HOH J . +DC 6 HOH 121 1642 1642 HOH HOH J . +DC 6 HOH 122 1657 1657 HOH HOH J . +DC 6 HOH 123 1664 1664 HOH HOH J . +DC 6 HOH 124 1667 1667 HOH HOH J . +DC 6 HOH 125 1688 1688 HOH HOH J . +DC 6 HOH 126 1697 1697 HOH HOH J . +DC 6 HOH 127 1710 1710 HOH HOH J . +DC 6 HOH 128 1726 1726 HOH HOH J . +DC 6 HOH 129 1727 1727 HOH HOH J . +DC 6 HOH 130 1731 1731 HOH HOH J . +DC 6 HOH 131 1747 1747 HOH HOH J . +DC 6 HOH 132 1753 1753 HOH HOH J . +DC 6 HOH 133 1762 1762 HOH HOH J . +DC 6 HOH 134 1772 1772 HOH HOH J . +DC 6 HOH 135 1783 1783 HOH HOH J . +DC 6 HOH 136 1788 1788 HOH HOH J . +DC 6 HOH 137 1793 1793 HOH HOH J . +DC 6 HOH 138 1806 1806 HOH HOH J . +DC 6 HOH 139 1815 1815 HOH HOH J . +DC 6 HOH 140 1831 1831 HOH HOH J . +DC 6 HOH 141 1835 1835 HOH HOH J . +DC 6 HOH 142 1840 1840 HOH HOH J . +DC 6 HOH 143 1856 1856 HOH HOH J . +DC 6 HOH 144 1881 1881 HOH HOH J . +DC 6 HOH 145 1889 1889 HOH HOH J . +DC 6 HOH 146 1895 1895 HOH HOH J . +DC 6 HOH 147 1936 1936 HOH HOH J . +DC 6 HOH 148 1938 1938 HOH HOH J . +DC 6 HOH 149 1982 1982 HOH HOH J . +DC 6 HOH 150 1986 1986 HOH HOH J . +DC 6 HOH 151 2003 2003 HOH HOH J . +DC 6 HOH 152 2008 2008 HOH HOH J . +DC 6 HOH 153 2032 2032 HOH HOH J . +DC 6 HOH 154 2036 2036 HOH HOH J . +DC 6 HOH 155 2049 2049 HOH HOH J . +DC 6 HOH 156 2058 2058 HOH HOH J . +DC 6 HOH 157 2064 2064 HOH HOH J . +DC 6 HOH 158 2067 2067 HOH HOH J . +DC 6 HOH 159 2118 2118 HOH HOH J . +DC 6 HOH 160 2123 2123 HOH HOH J . +DC 6 HOH 161 2134 2134 HOH HOH J . +DC 6 HOH 162 2142 2142 HOH HOH J . +DC 6 HOH 163 2144 2144 HOH HOH J . +DC 6 HOH 164 2151 2151 HOH HOH J . +DC 6 HOH 165 2170 2170 HOH HOH J . +DC 6 HOH 166 2174 2174 HOH HOH J . +DC 6 HOH 167 2175 2175 HOH HOH J . +DC 6 HOH 168 2179 2179 HOH HOH J . +DC 6 HOH 169 2183 2183 HOH HOH J . +DC 6 HOH 170 2195 2195 HOH HOH J . +DC 6 HOH 171 2198 2198 HOH HOH J . +DC 6 HOH 172 2216 2216 HOH HOH J . +DC 6 HOH 173 2223 2223 HOH HOH J . +DC 6 HOH 174 2252 2252 HOH HOH J . +DC 6 HOH 175 2254 2254 HOH HOH J . +DC 6 HOH 176 2255 2255 HOH HOH J . +EC 6 HOH 1 257 86 HOH HOH K . +EC 6 HOH 2 258 105 HOH HOH K . +EC 6 HOH 3 259 110 HOH HOH K . +EC 6 HOH 4 260 119 HOH HOH K . +EC 6 HOH 5 261 120 HOH HOH K . +EC 6 HOH 6 262 165 HOH HOH K . +EC 6 HOH 7 263 173 HOH HOH K . +EC 6 HOH 8 264 176 HOH HOH K . +EC 6 HOH 9 265 177 HOH HOH K . +EC 6 HOH 10 266 190 HOH HOH K . +EC 6 HOH 11 267 224 HOH HOH K . +EC 6 HOH 12 268 256 HOH HOH K . +EC 6 HOH 13 272 272 HOH HOH K . +EC 6 HOH 14 330 330 HOH HOH K . +EC 6 HOH 15 338 338 HOH HOH K . +EC 6 HOH 16 353 353 HOH HOH K . +EC 6 HOH 17 358 358 HOH HOH K . +EC 6 HOH 18 392 392 HOH HOH K . +EC 6 HOH 19 430 430 HOH HOH K . +EC 6 HOH 20 463 463 HOH HOH K . +EC 6 HOH 21 464 464 HOH HOH K . +EC 6 HOH 22 468 468 HOH HOH K . +EC 6 HOH 23 469 469 HOH HOH K . +EC 6 HOH 24 499 499 HOH HOH K . +EC 6 HOH 25 524 524 HOH HOH K . +EC 6 HOH 26 525 525 HOH HOH K . +EC 6 HOH 27 540 540 HOH HOH K . +EC 6 HOH 28 549 549 HOH HOH K . +EC 6 HOH 29 593 593 HOH HOH K . +EC 6 HOH 30 609 609 HOH HOH K . +EC 6 HOH 31 629 629 HOH HOH K . +EC 6 HOH 32 633 633 HOH HOH K . +EC 6 HOH 33 640 640 HOH HOH K . +EC 6 HOH 34 652 652 HOH HOH K . +EC 6 HOH 35 664 664 HOH HOH K . +EC 6 HOH 36 666 666 HOH HOH K . +EC 6 HOH 37 668 668 HOH HOH K . +EC 6 HOH 38 680 680 HOH HOH K . +EC 6 HOH 39 689 689 HOH HOH K . +EC 6 HOH 40 696 696 HOH HOH K . +EC 6 HOH 41 697 697 HOH HOH K . +EC 6 HOH 42 717 717 HOH HOH K . +EC 6 HOH 43 739 739 HOH HOH K . +EC 6 HOH 44 768 768 HOH HOH K . +EC 6 HOH 45 780 780 HOH HOH K . +EC 6 HOH 46 785 785 HOH HOH K . +EC 6 HOH 47 792 792 HOH HOH K . +EC 6 HOH 48 834 834 HOH HOH K . +EC 6 HOH 49 868 868 HOH HOH K . +EC 6 HOH 50 882 882 HOH HOH K . +EC 6 HOH 51 905 905 HOH HOH K . +EC 6 HOH 52 942 942 HOH HOH K . +EC 6 HOH 53 961 961 HOH HOH K . +EC 6 HOH 54 968 968 HOH HOH K . +EC 6 HOH 55 991 991 HOH HOH K . +EC 6 HOH 56 1013 1013 HOH HOH K . +EC 6 HOH 57 1023 1023 HOH HOH K . +EC 6 HOH 58 1032 1032 HOH HOH K . +EC 6 HOH 59 1036 1036 HOH HOH K . +EC 6 HOH 60 1043 1043 HOH HOH K . +EC 6 HOH 61 1047 1047 HOH HOH K . +EC 6 HOH 62 1067 1067 HOH HOH K . +EC 6 HOH 63 1073 1073 HOH HOH K . +EC 6 HOH 64 1085 1085 HOH HOH K . +EC 6 HOH 65 1125 1125 HOH HOH K . +EC 6 HOH 66 1128 1128 HOH HOH K . +EC 6 HOH 67 1151 1151 HOH HOH K . +EC 6 HOH 68 1165 1165 HOH HOH K . +EC 6 HOH 69 1173 1173 HOH HOH K . +EC 6 HOH 70 1176 1176 HOH HOH K . +EC 6 HOH 71 1179 1179 HOH HOH K . +EC 6 HOH 72 1181 1181 HOH HOH K . +EC 6 HOH 73 1187 1187 HOH HOH K . +EC 6 HOH 74 1229 1229 HOH HOH K . +EC 6 HOH 75 1258 1258 HOH HOH K . +EC 6 HOH 76 1342 1342 HOH HOH K . +EC 6 HOH 77 1345 1345 HOH HOH K . +EC 6 HOH 78 1358 1358 HOH HOH K . +EC 6 HOH 79 1362 1362 HOH HOH K . +EC 6 HOH 80 1368 1368 HOH HOH K . +EC 6 HOH 81 1380 1380 HOH HOH K . +EC 6 HOH 82 1383 1383 HOH HOH K . +EC 6 HOH 83 1405 1405 HOH HOH K . +EC 6 HOH 84 1430 1430 HOH HOH K . +EC 6 HOH 85 1437 1437 HOH HOH K . +EC 6 HOH 86 1438 1438 HOH HOH K . +EC 6 HOH 87 1477 1477 HOH HOH K . +EC 6 HOH 88 1490 1490 HOH HOH K . +EC 6 HOH 89 1505 1505 HOH HOH K . +EC 6 HOH 90 1523 1523 HOH HOH K . +EC 6 HOH 91 1527 1527 HOH HOH K . +EC 6 HOH 92 1529 1529 HOH HOH K . +EC 6 HOH 93 1543 1543 HOH HOH K . +EC 6 HOH 94 1549 1549 HOH HOH K . +EC 6 HOH 95 1578 1578 HOH HOH K . +EC 6 HOH 96 1586 1586 HOH HOH K . +EC 6 HOH 97 1616 1616 HOH HOH K . +EC 6 HOH 98 1619 1619 HOH HOH K . +EC 6 HOH 99 1620 1620 HOH HOH K . +EC 6 HOH 100 1644 1644 HOH HOH K . +EC 6 HOH 101 1650 1650 HOH HOH K . +EC 6 HOH 102 1652 1652 HOH HOH K . +EC 6 HOH 103 1678 1678 HOH HOH K . +EC 6 HOH 104 1711 1711 HOH HOH K . +EC 6 HOH 105 1716 1716 HOH HOH K . +EC 6 HOH 106 1720 1720 HOH HOH K . +EC 6 HOH 107 1722 1722 HOH HOH K . +EC 6 HOH 108 1728 1728 HOH HOH K . +EC 6 HOH 109 1743 1743 HOH HOH K . +EC 6 HOH 110 1748 1748 HOH HOH K . +EC 6 HOH 111 1777 1777 HOH HOH K . +EC 6 HOH 112 1814 1814 HOH HOH K . +EC 6 HOH 113 1821 1821 HOH HOH K . +EC 6 HOH 114 1847 1847 HOH HOH K . +EC 6 HOH 115 1851 1851 HOH HOH K . +EC 6 HOH 116 1855 1855 HOH HOH K . +EC 6 HOH 117 1859 1859 HOH HOH K . +EC 6 HOH 118 1872 1872 HOH HOH K . +EC 6 HOH 119 1906 1906 HOH HOH K . +EC 6 HOH 120 1907 1907 HOH HOH K . +EC 6 HOH 121 1908 1908 HOH HOH K . +EC 6 HOH 122 1926 1926 HOH HOH K . +EC 6 HOH 123 1939 1939 HOH HOH K . +EC 6 HOH 124 1951 1951 HOH HOH K . +EC 6 HOH 125 1955 1955 HOH HOH K . +EC 6 HOH 126 1973 1973 HOH HOH K . +EC 6 HOH 127 2027 2027 HOH HOH K . +EC 6 HOH 128 2029 2029 HOH HOH K . +EC 6 HOH 129 2043 2043 HOH HOH K . +EC 6 HOH 130 2055 2055 HOH HOH K . +EC 6 HOH 131 2066 2066 HOH HOH K . +EC 6 HOH 132 2083 2083 HOH HOH K . +EC 6 HOH 133 2091 2091 HOH HOH K . +EC 6 HOH 134 2094 2094 HOH HOH K . +EC 6 HOH 135 2099 2099 HOH HOH K . +EC 6 HOH 136 2102 2102 HOH HOH K . +EC 6 HOH 137 2106 2106 HOH HOH K . +EC 6 HOH 138 2129 2129 HOH HOH K . +EC 6 HOH 139 2138 2138 HOH HOH K . +EC 6 HOH 140 2140 2140 HOH HOH K . +EC 6 HOH 141 2152 2152 HOH HOH K . +EC 6 HOH 142 2153 2153 HOH HOH K . +EC 6 HOH 143 2167 2167 HOH HOH K . +EC 6 HOH 144 2192 2192 HOH HOH K . +EC 6 HOH 145 2208 2208 HOH HOH K . +EC 6 HOH 146 2235 2235 HOH HOH K . +EC 6 HOH 147 2242 2242 HOH HOH K . +EC 6 HOH 148 2257 2257 HOH HOH K . +FC 6 HOH 1 257 46 HOH HOH L . +FC 6 HOH 2 258 78 HOH HOH L . +FC 6 HOH 3 259 127 HOH HOH L . +FC 6 HOH 4 260 178 HOH HOH L . +FC 6 HOH 5 261 191 HOH HOH L . +FC 6 HOH 6 262 218 HOH HOH L . +FC 6 HOH 7 263 232 HOH HOH L . +FC 6 HOH 8 264 237 HOH HOH L . +FC 6 HOH 9 265 241 HOH HOH L . +FC 6 HOH 10 266 249 HOH HOH L . +FC 6 HOH 11 267 251 HOH HOH L . +FC 6 HOH 12 268 302 HOH HOH L . +FC 6 HOH 13 285 285 HOH HOH L . +FC 6 HOH 14 292 292 HOH HOH L . +FC 6 HOH 15 297 297 HOH HOH L . +FC 6 HOH 16 307 307 HOH HOH L . +FC 6 HOH 17 309 309 HOH HOH L . +FC 6 HOH 18 316 316 HOH HOH L . +FC 6 HOH 19 321 321 HOH HOH L . +FC 6 HOH 20 326 326 HOH HOH L . +FC 6 HOH 21 329 329 HOH HOH L . +FC 6 HOH 22 350 350 HOH HOH L . +FC 6 HOH 23 355 355 HOH HOH L . +FC 6 HOH 24 362 362 HOH HOH L . +FC 6 HOH 25 377 377 HOH HOH L . +FC 6 HOH 26 385 385 HOH HOH L . +FC 6 HOH 27 453 453 HOH HOH L . +FC 6 HOH 28 466 466 HOH HOH L . +FC 6 HOH 29 482 482 HOH HOH L . +FC 6 HOH 30 500 500 HOH HOH L . +FC 6 HOH 31 505 505 HOH HOH L . +FC 6 HOH 32 509 509 HOH HOH L . +FC 6 HOH 33 523 523 HOH HOH L . +FC 6 HOH 34 548 548 HOH HOH L . +FC 6 HOH 35 556 556 HOH HOH L . +FC 6 HOH 36 588 588 HOH HOH L . +FC 6 HOH 37 621 621 HOH HOH L . +FC 6 HOH 38 622 622 HOH HOH L . +FC 6 HOH 39 623 623 HOH HOH L . +FC 6 HOH 40 634 634 HOH HOH L . +FC 6 HOH 41 635 635 HOH HOH L . +FC 6 HOH 42 658 658 HOH HOH L . +FC 6 HOH 43 670 670 HOH HOH L . +FC 6 HOH 44 703 703 HOH HOH L . +FC 6 HOH 45 723 723 HOH HOH L . +FC 6 HOH 46 729 729 HOH HOH L . +FC 6 HOH 47 740 740 HOH HOH L . +FC 6 HOH 48 743 743 HOH HOH L . +FC 6 HOH 49 750 750 HOH HOH L . +FC 6 HOH 50 756 756 HOH HOH L . +FC 6 HOH 51 767 767 HOH HOH L . +FC 6 HOH 52 801 801 HOH HOH L . +FC 6 HOH 53 803 803 HOH HOH L . +FC 6 HOH 54 849 849 HOH HOH L . +FC 6 HOH 55 858 858 HOH HOH L . +FC 6 HOH 56 861 861 HOH HOH L . +FC 6 HOH 57 884 884 HOH HOH L . +FC 6 HOH 58 895 895 HOH HOH L . +FC 6 HOH 59 898 898 HOH HOH L . +FC 6 HOH 60 899 899 HOH HOH L . +FC 6 HOH 61 909 909 HOH HOH L . +FC 6 HOH 62 910 910 HOH HOH L . +FC 6 HOH 63 945 945 HOH HOH L . +FC 6 HOH 64 996 996 HOH HOH L . +FC 6 HOH 65 1006 1006 HOH HOH L . +FC 6 HOH 66 1026 1026 HOH HOH L . +FC 6 HOH 67 1040 1040 HOH HOH L . +FC 6 HOH 68 1042 1042 HOH HOH L . +FC 6 HOH 69 1061 1061 HOH HOH L . +FC 6 HOH 70 1072 1072 HOH HOH L . +FC 6 HOH 71 1083 1083 HOH HOH L . +FC 6 HOH 72 1114 1114 HOH HOH L . +FC 6 HOH 73 1130 1130 HOH HOH L . +FC 6 HOH 74 1136 1136 HOH HOH L . +FC 6 HOH 75 1144 1144 HOH HOH L . +FC 6 HOH 76 1154 1154 HOH HOH L . +FC 6 HOH 77 1174 1174 HOH HOH L . +FC 6 HOH 78 1199 1199 HOH HOH L . +FC 6 HOH 79 1202 1202 HOH HOH L . +FC 6 HOH 80 1220 1220 HOH HOH L . +FC 6 HOH 81 1225 1225 HOH HOH L . +FC 6 HOH 82 1227 1227 HOH HOH L . +FC 6 HOH 83 1230 1230 HOH HOH L . +FC 6 HOH 84 1243 1243 HOH HOH L . +FC 6 HOH 85 1270 1270 HOH HOH L . +FC 6 HOH 86 1277 1277 HOH HOH L . +FC 6 HOH 87 1282 1282 HOH HOH L . +FC 6 HOH 88 1307 1307 HOH HOH L . +FC 6 HOH 89 1339 1339 HOH HOH L . +FC 6 HOH 90 1347 1347 HOH HOH L . +FC 6 HOH 91 1363 1363 HOH HOH L . +FC 6 HOH 92 1372 1372 HOH HOH L . +FC 6 HOH 93 1408 1408 HOH HOH L . +FC 6 HOH 94 1416 1416 HOH HOH L . +FC 6 HOH 95 1417 1417 HOH HOH L . +FC 6 HOH 96 1444 1444 HOH HOH L . +FC 6 HOH 97 1448 1448 HOH HOH L . +FC 6 HOH 98 1455 1455 HOH HOH L . +FC 6 HOH 99 1465 1465 HOH HOH L . +FC 6 HOH 100 1469 1469 HOH HOH L . +FC 6 HOH 101 1472 1472 HOH HOH L . +FC 6 HOH 102 1493 1493 HOH HOH L . +FC 6 HOH 103 1495 1495 HOH HOH L . +FC 6 HOH 104 1513 1513 HOH HOH L . +FC 6 HOH 105 1514 1514 HOH HOH L . +FC 6 HOH 106 1524 1524 HOH HOH L . +FC 6 HOH 107 1558 1558 HOH HOH L . +FC 6 HOH 108 1567 1567 HOH HOH L . +FC 6 HOH 109 1603 1603 HOH HOH L . +FC 6 HOH 110 1610 1610 HOH HOH L . +FC 6 HOH 111 1622 1622 HOH HOH L . +FC 6 HOH 112 1635 1635 HOH HOH L . +FC 6 HOH 113 1673 1673 HOH HOH L . +FC 6 HOH 114 1683 1683 HOH HOH L . +FC 6 HOH 115 1704 1704 HOH HOH L . +FC 6 HOH 116 1705 1705 HOH HOH L . +FC 6 HOH 117 1715 1715 HOH HOH L . +FC 6 HOH 118 1751 1751 HOH HOH L . +FC 6 HOH 119 1767 1767 HOH HOH L . +FC 6 HOH 120 1769 1769 HOH HOH L . +FC 6 HOH 121 1774 1774 HOH HOH L . +FC 6 HOH 122 1780 1780 HOH HOH L . +FC 6 HOH 123 1786 1786 HOH HOH L . +FC 6 HOH 124 1790 1790 HOH HOH L . +FC 6 HOH 125 1800 1800 HOH HOH L . +FC 6 HOH 126 1822 1822 HOH HOH L . +FC 6 HOH 127 1826 1826 HOH HOH L . +FC 6 HOH 128 1852 1852 HOH HOH L . +FC 6 HOH 129 1854 1854 HOH HOH L . +FC 6 HOH 130 1860 1860 HOH HOH L . +FC 6 HOH 131 1963 1963 HOH HOH L . +FC 6 HOH 132 1964 1964 HOH HOH L . +FC 6 HOH 133 1969 1969 HOH HOH L . +FC 6 HOH 134 2009 2009 HOH HOH L . +FC 6 HOH 135 2018 2018 HOH HOH L . +FC 6 HOH 136 2022 2022 HOH HOH L . +FC 6 HOH 137 2050 2050 HOH HOH L . +FC 6 HOH 138 2061 2061 HOH HOH L . +FC 6 HOH 139 2085 2085 HOH HOH L . +FC 6 HOH 140 2087 2087 HOH HOH L . +FC 6 HOH 141 2107 2107 HOH HOH L . +FC 6 HOH 142 2110 2110 HOH HOH L . +FC 6 HOH 143 2120 2120 HOH HOH L . +FC 6 HOH 144 2128 2128 HOH HOH L . +FC 6 HOH 145 2139 2139 HOH HOH L . +FC 6 HOH 146 2141 2141 HOH HOH L . +FC 6 HOH 147 2149 2149 HOH HOH L . +FC 6 HOH 148 2156 2156 HOH HOH L . +FC 6 HOH 149 2171 2171 HOH HOH L . +FC 6 HOH 150 2199 2199 HOH HOH L . +FC 6 HOH 151 2202 2202 HOH HOH L . +FC 6 HOH 152 2210 2210 HOH HOH L . +FC 6 HOH 153 2217 2217 HOH HOH L . +FC 6 HOH 154 2241 2241 HOH HOH L . +# +loop_ +_pdbx_struct_mod_residue.id +_pdbx_struct_mod_residue.label_asym_id +_pdbx_struct_mod_residue.label_seq_id +_pdbx_struct_mod_residue.label_comp_id +_pdbx_struct_mod_residue.auth_asym_id +_pdbx_struct_mod_residue.auth_seq_id +_pdbx_struct_mod_residue.auth_comp_id +_pdbx_struct_mod_residue.PDB_ins_code +_pdbx_struct_mod_residue.parent_comp_id +_pdbx_struct_mod_residue.details +1 A 2 MSE A 1 MSE ? MET SELENOMETHIONINE +2 A 67 MSE A 66 MSE ? MET SELENOMETHIONINE +3 A 69 MSE A 68 MSE ? MET SELENOMETHIONINE +4 A 128 MSE A 127 MSE ? MET SELENOMETHIONINE +5 A 172 MSE A 171 MSE ? MET SELENOMETHIONINE +6 A 173 MSE A 172 MSE ? MET SELENOMETHIONINE +7 A 247 MSE A 246 MSE ? MET SELENOMETHIONINE +8 B 2 MSE B 1 MSE ? MET SELENOMETHIONINE +9 B 67 MSE B 66 MSE ? MET SELENOMETHIONINE +10 B 69 MSE B 68 MSE ? MET SELENOMETHIONINE +11 B 128 MSE B 127 MSE ? MET SELENOMETHIONINE +12 B 172 MSE B 171 MSE ? MET SELENOMETHIONINE +13 B 173 MSE B 172 MSE ? MET SELENOMETHIONINE +14 B 247 MSE B 246 MSE ? MET SELENOMETHIONINE +15 C 2 MSE C 1 MSE ? MET SELENOMETHIONINE +16 C 67 MSE C 66 MSE ? MET SELENOMETHIONINE +17 C 69 MSE C 68 MSE ? MET SELENOMETHIONINE +18 C 128 MSE C 127 MSE ? MET SELENOMETHIONINE +19 C 172 MSE C 171 MSE ? MET SELENOMETHIONINE +20 C 173 MSE C 172 MSE ? MET SELENOMETHIONINE +21 C 247 MSE C 246 MSE ? MET SELENOMETHIONINE +22 D 2 MSE D 1 MSE ? MET SELENOMETHIONINE +23 D 67 MSE D 66 MSE ? MET SELENOMETHIONINE +24 D 69 MSE D 68 MSE ? MET SELENOMETHIONINE +25 D 128 MSE D 127 MSE ? MET SELENOMETHIONINE +26 D 172 MSE D 171 MSE ? MET SELENOMETHIONINE +27 D 173 MSE D 172 MSE ? MET SELENOMETHIONINE +28 D 247 MSE D 246 MSE ? MET SELENOMETHIONINE +29 E 2 MSE E 1 MSE ? MET SELENOMETHIONINE +30 E 67 MSE E 66 MSE ? MET SELENOMETHIONINE +31 E 69 MSE E 68 MSE ? MET SELENOMETHIONINE +32 E 128 MSE E 127 MSE ? MET SELENOMETHIONINE +33 E 172 MSE E 171 MSE ? MET SELENOMETHIONINE +34 E 173 MSE E 172 MSE ? MET SELENOMETHIONINE +35 E 247 MSE E 246 MSE ? MET SELENOMETHIONINE +36 F 2 MSE F 1 MSE ? MET SELENOMETHIONINE +37 F 67 MSE F 66 MSE ? MET SELENOMETHIONINE +38 F 69 MSE F 68 MSE ? MET SELENOMETHIONINE +39 F 128 MSE F 127 MSE ? MET SELENOMETHIONINE +40 F 172 MSE F 171 MSE ? MET SELENOMETHIONINE +41 F 173 MSE F 172 MSE ? MET SELENOMETHIONINE +42 F 247 MSE F 246 MSE ? MET SELENOMETHIONINE +43 G 2 MSE G 1 MSE ? MET SELENOMETHIONINE +44 G 67 MSE G 66 MSE ? MET SELENOMETHIONINE +45 G 69 MSE G 68 MSE ? MET SELENOMETHIONINE +46 G 128 MSE G 127 MSE ? MET SELENOMETHIONINE +47 G 172 MSE G 171 MSE ? MET SELENOMETHIONINE +48 G 173 MSE G 172 MSE ? MET SELENOMETHIONINE +49 G 247 MSE G 246 MSE ? MET SELENOMETHIONINE +50 H 2 MSE H 1 MSE ? MET SELENOMETHIONINE +51 H 67 MSE H 66 MSE ? MET SELENOMETHIONINE +52 H 69 MSE H 68 MSE ? MET SELENOMETHIONINE +53 H 128 MSE H 127 MSE ? MET SELENOMETHIONINE +54 H 172 MSE H 171 MSE ? MET SELENOMETHIONINE +55 H 173 MSE H 172 MSE ? MET SELENOMETHIONINE +56 H 247 MSE H 246 MSE ? MET SELENOMETHIONINE +57 I 2 MSE I 1 MSE ? MET SELENOMETHIONINE +58 I 67 MSE I 66 MSE ? MET SELENOMETHIONINE +59 I 69 MSE I 68 MSE ? MET SELENOMETHIONINE +60 I 128 MSE I 127 MSE ? MET SELENOMETHIONINE +61 I 172 MSE I 171 MSE ? MET SELENOMETHIONINE +62 I 173 MSE I 172 MSE ? MET SELENOMETHIONINE +63 I 247 MSE I 246 MSE ? MET SELENOMETHIONINE +64 J 2 MSE J 1 MSE ? MET SELENOMETHIONINE +65 J 67 MSE J 66 MSE ? MET SELENOMETHIONINE +66 J 69 MSE J 68 MSE ? MET SELENOMETHIONINE +67 J 128 MSE J 127 MSE ? MET SELENOMETHIONINE +68 J 172 MSE J 171 MSE ? MET SELENOMETHIONINE +69 J 173 MSE J 172 MSE ? MET SELENOMETHIONINE +70 J 247 MSE J 246 MSE ? MET SELENOMETHIONINE +71 K 2 MSE K 1 MSE ? MET SELENOMETHIONINE +72 K 67 MSE K 66 MSE ? MET SELENOMETHIONINE +73 K 69 MSE K 68 MSE ? MET SELENOMETHIONINE +74 K 128 MSE K 127 MSE ? MET SELENOMETHIONINE +75 K 172 MSE K 171 MSE ? MET SELENOMETHIONINE +76 K 173 MSE K 172 MSE ? MET SELENOMETHIONINE +77 K 247 MSE K 246 MSE ? MET SELENOMETHIONINE +78 L 2 MSE L 1 MSE ? MET SELENOMETHIONINE +79 L 67 MSE L 66 MSE ? MET SELENOMETHIONINE +80 L 69 MSE L 68 MSE ? MET SELENOMETHIONINE +81 L 128 MSE L 127 MSE ? MET SELENOMETHIONINE +82 L 172 MSE L 171 MSE ? MET SELENOMETHIONINE +83 L 173 MSE L 172 MSE ? MET SELENOMETHIONINE +84 L 247 MSE L 246 MSE ? MET SELENOMETHIONINE +# +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.PDB_model_num +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.PDB_ins_code_1 +_pdbx_validate_close_contact.label_alt_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.PDB_ins_code_2 +_pdbx_validate_close_contact.label_alt_id_2 +_pdbx_validate_close_contact.dist +1 1 OE2 H GLU 134 ? A O H HOH 574 ? ? 2.03 +2 1 OD1 I ASP 186 ? A O I HOH 1360 ? ? 2.11 +3 1 O G HOH 1292 ? ? O G HOH 1628 ? ? 2.14 +4 1 OE1 L GLU 52 ? ? OH L TYR 174 ? ? 2.18 +5 1 O D HOH 1101 ? ? O D HOH 1940 ? ? 2.18 +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 ASN A 34 ? 55.48 -156.85 +2 1 ASP A 160 ? -158.84 74.04 +3 1 LYS A 200 ? 72.31 35.17 +4 1 SER A 215 ? 86.56 -14.46 +5 1 ASN B 34 ? 53.79 -154.80 +6 1 ASP B 160 ? -156.94 71.62 +7 1 LYS B 200 ? 70.69 30.56 +8 1 SER B 215 ? 84.80 -10.73 +9 1 ASN C 34 ? 53.45 -156.93 +10 1 ASP C 160 ? -160.18 62.04 +11 1 LYS C 200 ? 73.76 31.89 +12 1 SER C 215 ? 78.21 -10.11 +13 1 ASN D 34 ? 58.19 -158.65 +14 1 ASP D 160 ? -161.58 80.40 +15 1 SER D 215 ? 86.78 -9.90 +16 1 ASN E 34 ? 50.53 -159.04 +17 1 ASP E 160 ? -161.78 72.35 +18 1 SER E 215 ? 85.03 -8.27 +19 1 ASN F 34 ? 53.94 -153.08 +20 1 ASP F 160 ? -163.47 71.11 +21 1 LYS F 200 ? 72.52 30.97 +22 1 SER F 215 ? 85.27 -8.89 +23 1 ASN G 34 ? 55.49 -156.94 +24 1 ASP G 160 ? -159.82 72.06 +25 1 SER G 215 ? 87.33 -9.55 +26 1 ASN H 34 ? 56.43 -156.44 +27 1 ASP H 160 ? -160.89 66.33 +28 1 LYS H 200 ? 70.11 31.69 +29 1 SER H 215 ? 86.33 -10.25 +30 1 ASN I 34 ? 57.72 -160.34 +31 1 ASP I 160 ? -155.33 74.99 +32 1 SER I 215 ? 82.36 -6.99 +33 1 ASN J 34 ? 50.87 -153.05 +34 1 ASP J 160 ? -152.89 66.30 +35 1 SER J 215 ? 83.00 -5.87 +36 1 ASN K 34 ? 56.33 -157.13 +37 1 ASP K 160 ? -162.51 70.40 +38 1 SER K 215 ? 82.94 -9.71 +39 1 ASN L 34 ? 54.35 -155.76 +40 1 ASP L 160 ? -159.99 73.13 +41 1 SER L 215 ? 90.18 -11.55 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'ZINC ION' ZN +3 'CALCIUM ION' CA +4 'CHLORIDE ION' CL +5 1,2-ETHANEDIOL EDO +6 water HOH +# diff --git a/tracking/data/3LUB.json b/tracking/data/3LUB.json new file mode 100644 index 000000000..c9dc14e01 --- /dev/null +++ b/tracking/data/3LUB.json @@ -0,0 +1,5 @@ +{ + "pdb_file": "3LUB.pdb", + "pdb_mmcif": "3LUB.cif", + "pdb_id": "3LUB" +} diff --git a/tracking/data/3LUB.pdb b/tracking/data/3LUB.pdb new file mode 100644 index 000000000..73566d096 --- /dev/null +++ b/tracking/data/3LUB.pdb @@ -0,0 +1,29406 @@ +HEADER HYDROLASE 17-FEB-10 3LUB +TITLE CRYSTAL STRUCTURE OF PUTATIVE CREATININE AMIDOHYDROLASE +TITLE 2 (YP_211512.1) FROM BACTEROIDES FRAGILIS NCTC 9343 AT 2.11 A +TITLE 3 RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PUTATIVE CREATININE AMIDOHYDROLASE; +COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J, K, L; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; +SOURCE 3 ORGANISM_TAXID: 272559; +SOURCE 4 STRAIN: ATCC 25285 / NCTC 9343; +SOURCE 5 GENE: BF1877; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET +KEYWDS PUTATIVE CREATININE AMIDOHYDROLASE, STRUCTURAL GENOMICS, +KEYWDS 2 JOINT CENTER FOR STRUCTURAL GENOMICS, JCSG, PROTEIN +KEYWDS 3 STRUCTURE INITIATIVE, PSI-2, HYDROLASE +EXPDTA X-RAY DIFFRACTION +AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) +REVDAT 1 09-MAR-10 3LUB 0 +JRNL AUTH JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) +JRNL TITL CRYSTAL STRUCTURE OF PUTATIVE CREATININE +JRNL TITL 2 AMIDOHYDROLASE (YP_211512.1) FROM BACTEROIDES +JRNL TITL 3 FRAGILIS NCTC 9343 AT 2.11 A RESOLUTION +JRNL REF TO BE PUBLISHED +JRNL REFN +REMARK 2 +REMARK 2 RESOLUTION. 2.11 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.2.0019 +REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD WITH PHASES +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.11 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 43.03 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 +REMARK 3 NUMBER OF REFLECTIONS : 166973 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : THIN SHELLS +REMARK 3 R VALUE (WORKING + TEST SET) : 0.153 +REMARK 3 R VALUE (WORKING SET) : 0.151 +REMARK 3 FREE R VALUE : 0.193 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.200 +REMARK 3 FREE R VALUE TEST SET COUNT : 8604 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.11 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.17 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 12400 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.91 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2080 +REMARK 3 BIN FREE R VALUE SET COUNT : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 23844 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 93 +REMARK 3 SOLVENT ATOMS : 2223 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 25.20 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.45 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 1.72000 +REMARK 3 B22 (A**2) : -0.33000 +REMARK 3 B33 (A**2) : -1.32000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.31000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.227 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.169 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.122 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.695 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.968 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.946 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 24540 ; 0.016 ; 0.022 +REMARK 3 BOND LENGTHS OTHERS (A): 16448 ; 0.001 ; 0.020 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 33372 ; 1.416 ; 1.959 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 40308 ; 0.955 ; 3.000 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 3079 ; 5.912 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 1107 ;32.198 ;24.562 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 4011 ;13.078 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 97 ;11.312 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 3623 ; 0.086 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 27463 ; 0.005 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): 4762 ; 0.001 ; 0.020 +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 4827 ; 0.193 ; 0.200 +REMARK 3 NON-BONDED CONTACTS OTHERS (A): 16880 ; 0.188 ; 0.200 +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 11500 ; 0.175 ; 0.200 +REMARK 3 NON-BONDED TORSION OTHERS (A): 11768 ; 0.085 ; 0.200 +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 1726 ; 0.163 ; 0.200 +REMARK 3 H-BOND (X...Y) OTHERS (A): 1 ; 0.004 ; 0.200 +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 42 ; 0.100 ; 0.200 +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 28 ; 0.209 ; 0.200 +REMARK 3 SYMMETRY VDW OTHERS (A): 55 ; 0.202 ; 0.200 +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 32 ; 0.165 ; 0.200 +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 16045 ; 1.631 ; 3.000 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 6118 ; 0.230 ; 3.000 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 24564 ; 2.242 ; 5.000 +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 10145 ; 4.250 ; 8.000 +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 8782 ; 5.691 ;11.000 +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : 1 +REMARK 3 +REMARK 3 NCS GROUP NUMBER : 1 +REMARK 3 CHAIN NAMES : A B C D E F G H I J K L +REMARK 3 NUMBER OF COMPONENTS NCS GROUP : 1 +REMARK 3 COMPONENT C SSSEQI TO C SSSEQI CODE +REMARK 3 1 A 1 A 253 2 +REMARK 3 1 B 1 B 253 2 +REMARK 3 1 C 1 C 253 2 +REMARK 3 1 D 1 D 253 2 +REMARK 3 1 E 1 E 253 2 +REMARK 3 1 F 1 F 253 2 +REMARK 3 1 G 1 G 253 2 +REMARK 3 1 H 1 H 253 2 +REMARK 3 1 I 1 I 253 2 +REMARK 3 1 J 1 J 253 2 +REMARK 3 1 K 1 K 253 2 +REMARK 3 1 L 1 L 253 2 +REMARK 3 GROUP CHAIN COUNT RMS WEIGHT +REMARK 3 TIGHT POSITIONAL 1 A (A): 1442 ; 0.110 ; 0.150 +REMARK 3 TIGHT POSITIONAL 1 B (A): 1442 ; 0.120 ; 0.150 +REMARK 3 TIGHT POSITIONAL 1 C (A): 1442 ; 0.120 ; 0.150 +REMARK 3 TIGHT POSITIONAL 1 D (A): 1442 ; 0.150 ; 0.150 +REMARK 3 TIGHT POSITIONAL 1 E (A): 1442 ; 0.130 ; 0.150 +REMARK 3 TIGHT POSITIONAL 1 F (A): 1442 ; 0.120 ; 0.150 +REMARK 3 TIGHT POSITIONAL 1 G (A): 1442 ; 0.110 ; 0.150 +REMARK 3 TIGHT POSITIONAL 1 H (A): 1442 ; 0.140 ; 0.150 +REMARK 3 TIGHT POSITIONAL 1 I (A): 1442 ; 0.100 ; 0.150 +REMARK 3 TIGHT POSITIONAL 1 J (A): 1442 ; 0.120 ; 0.150 +REMARK 3 TIGHT POSITIONAL 1 K (A): 1442 ; 0.110 ; 0.150 +REMARK 3 TIGHT POSITIONAL 1 L (A): 1442 ; 0.130 ; 0.150 +REMARK 3 MEDIUM POSITIONAL 1 A (A): 1695 ; 0.230 ; 0.600 +REMARK 3 MEDIUM POSITIONAL 1 B (A): 1695 ; 0.320 ; 0.600 +REMARK 3 MEDIUM POSITIONAL 1 C (A): 1695 ; 0.310 ; 0.600 +REMARK 3 MEDIUM POSITIONAL 1 D (A): 1695 ; 0.350 ; 0.600 +REMARK 3 MEDIUM POSITIONAL 1 E (A): 1695 ; 0.300 ; 0.600 +REMARK 3 MEDIUM POSITIONAL 1 F (A): 1695 ; 0.270 ; 0.600 +REMARK 3 MEDIUM POSITIONAL 1 G (A): 1695 ; 0.260 ; 0.600 +REMARK 3 MEDIUM POSITIONAL 1 H (A): 1695 ; 0.280 ; 0.600 +REMARK 3 MEDIUM POSITIONAL 1 I (A): 1695 ; 0.260 ; 0.600 +REMARK 3 MEDIUM POSITIONAL 1 J (A): 1695 ; 0.280 ; 0.600 +REMARK 3 MEDIUM POSITIONAL 1 K (A): 1695 ; 0.330 ; 0.600 +REMARK 3 MEDIUM POSITIONAL 1 L (A): 1695 ; 0.290 ; 0.600 +REMARK 3 TIGHT THERMAL 1 A (A**2): 1442 ; 0.170 ; 0.500 +REMARK 3 TIGHT THERMAL 1 B (A**2): 1442 ; 0.170 ; 0.500 +REMARK 3 TIGHT THERMAL 1 C (A**2): 1442 ; 0.160 ; 0.500 +REMARK 3 TIGHT THERMAL 1 D (A**2): 1442 ; 0.190 ; 0.500 +REMARK 3 TIGHT THERMAL 1 E (A**2): 1442 ; 0.160 ; 0.500 +REMARK 3 TIGHT THERMAL 1 F (A**2): 1442 ; 0.160 ; 0.500 +REMARK 3 TIGHT THERMAL 1 G (A**2): 1442 ; 0.160 ; 0.500 +REMARK 3 TIGHT THERMAL 1 H (A**2): 1442 ; 0.180 ; 0.500 +REMARK 3 TIGHT THERMAL 1 I (A**2): 1442 ; 0.160 ; 0.500 +REMARK 3 TIGHT THERMAL 1 J (A**2): 1442 ; 0.160 ; 0.500 +REMARK 3 TIGHT THERMAL 1 K (A**2): 1442 ; 0.180 ; 0.500 +REMARK 3 TIGHT THERMAL 1 L (A**2): 1442 ; 0.170 ; 0.500 +REMARK 3 MEDIUM THERMAL 1 A (A**2): 1695 ; 1.050 ; 2.000 +REMARK 3 MEDIUM THERMAL 1 B (A**2): 1695 ; 1.050 ; 2.000 +REMARK 3 MEDIUM THERMAL 1 C (A**2): 1695 ; 1.060 ; 2.000 +REMARK 3 MEDIUM THERMAL 1 D (A**2): 1695 ; 1.140 ; 2.000 +REMARK 3 MEDIUM THERMAL 1 E (A**2): 1695 ; 1.070 ; 2.000 +REMARK 3 MEDIUM THERMAL 1 F (A**2): 1695 ; 0.990 ; 2.000 +REMARK 3 MEDIUM THERMAL 1 G (A**2): 1695 ; 1.060 ; 2.000 +REMARK 3 MEDIUM THERMAL 1 H (A**2): 1695 ; 1.090 ; 2.000 +REMARK 3 MEDIUM THERMAL 1 I (A**2): 1695 ; 1.030 ; 2.000 +REMARK 3 MEDIUM THERMAL 1 J (A**2): 1695 ; 0.960 ; 2.000 +REMARK 3 MEDIUM THERMAL 1 K (A**2): 1695 ; 1.130 ; 2.000 +REMARK 3 MEDIUM THERMAL 1 L (A**2): 1695 ; 1.080 ; 2.000 +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: +REMARK 3 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. +REMARK 3 2. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE +REMARK 3 INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY +REMARK 3 OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 +REMARK 3 FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET +REMARK 3 INCORPORATION. +REMARK 3 3. DI-METALS (ZINC) AT ACTIVE SITES WERE +REMARK 3 CONFIRMED WITH X-RAY FLUORESCENE SPECTROSCOPY, +REMARK 3 ANOMALOUS DIFFERENCE FOURIERS AND COORDINATION GEOMETRY. +REMARK 3 4.CALCIUM (CA), ETHYLENE GLYCOL (EDO) +REMARK 3 AND CHLORIDE (CL) MODELED WERE PRESENT +REMARK 3 IN CRYSTLLIZATION/CRYO CONDITIONS. +REMARK 3 5. DUE TO THE THIN-SHELL SELECTION METHOD, THE HIGHEST +REMARK 3 SHELL DID NOT CONTAIN ANY FREE REFLECTIONS. THE 1137 +REMARK 3 REFLECTIONS IN THE SHELL 2.20-2.21 A HAD AN R-FREE OF +REMARK 3 0.26. +REMARK 4 +REMARK 4 3LUB COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-FEB-10. +REMARK 100 THE RCSB ID CODE IS RCSB057739. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 31-JUL-09 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7.3 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : SSRL +REMARK 200 BEAMLINE : BL9-2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.97911 +REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL MONOCHROMATOR +REMARK 200 OPTICS : FLAT COLLIMATING MIRROR, +REMARK 200 TOROID FOCUSING MIRROR +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 325 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : XSCALE +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 167009 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.110 +REMARK 200 RESOLUTION RANGE LOW (A) : 43.033 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 +REMARK 200 DATA REDUNDANCY : 3.800 +REMARK 200 R MERGE (I) : 0.12200 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 8.2500 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.11 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.19 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.59700 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 2.100 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD +REMARK 200 SOFTWARE USED: SHELXD, AUTOSHARP +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 43.28 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.17 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2000M CAACETATE, 20.0000% PEG- +REMARK 280 3350, NO BUFFER PH 7.3, NANODROP, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 78.39500 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 31920 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 50060 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -783.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 31400 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 49970 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -761.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, H, I, J, K, L +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 0 +REMARK 465 GLY B 0 +REMARK 465 GLY C 0 +REMARK 465 GLY D 0 +REMARK 465 GLY E 0 +REMARK 465 GLY G 0 +REMARK 465 GLY H 0 +REMARK 465 GLY I 0 +REMARK 465 GLY J 0 +REMARK 465 GLY K 0 +REMARK 465 GLY L 0 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 LYS A 14 CG CD CE NZ +REMARK 470 GLU A 188 CG CD OE1 OE2 +REMARK 470 LYS B 14 CG CD CE NZ +REMARK 470 LYS B 152 CG CD CE NZ +REMARK 470 LYS C 14 CG CD CE NZ +REMARK 470 GLU C 188 CG CD OE1 OE2 +REMARK 470 LYS D 14 CG CD CE NZ +REMARK 470 GLU D 188 CG CD OE1 OE2 +REMARK 470 GLU E 188 CG CD OE1 OE2 +REMARK 470 GLU F 188 CG CD OE1 OE2 +REMARK 470 GLU G 188 CG CD OE1 OE2 +REMARK 470 LYS I 14 CG CD CE NZ +REMARK 470 GLU I 158 CG CD OE1 OE2 +REMARK 470 LYS J 152 CG CD CE NZ +REMARK 470 LYS K 14 CG CD CE NZ +REMARK 470 GLU K 188 CG CD OE1 OE2 +REMARK 470 LYS L 14 CG CD CE NZ +REMARK 470 GLU L 188 CG CD OE1 OE2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 OE2 GLU H 134 O HOH H 574 2.03 +REMARK 500 OD1 ASP I 186 O HOH I 1360 2.11 +REMARK 500 O HOH G 1292 O HOH G 1628 2.14 +REMARK 500 OE1 GLU L 52 OH TYR L 174 2.18 +REMARK 500 O HOH D 1101 O HOH D 1940 2.18 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASN A 34 -156.85 55.48 +REMARK 500 ASP A 160 74.04 -158.84 +REMARK 500 LYS A 200 35.17 72.31 +REMARK 500 SER A 215 -14.46 86.56 +REMARK 500 ASN B 34 -154.80 53.79 +REMARK 500 ASP B 160 71.62 -156.94 +REMARK 500 LYS B 200 30.56 70.69 +REMARK 500 SER B 215 -10.73 84.80 +REMARK 500 ASN C 34 -156.93 53.45 +REMARK 500 ASP C 160 62.04 -160.18 +REMARK 500 LYS C 200 31.89 73.76 +REMARK 500 SER C 215 -10.11 78.21 +REMARK 500 ASN D 34 -158.65 58.19 +REMARK 500 ASP D 160 80.40 -161.58 +REMARK 500 SER D 215 -9.90 86.78 +REMARK 500 ASN E 34 -159.04 50.53 +REMARK 500 ASP E 160 72.35 -161.78 +REMARK 500 SER E 215 -8.27 85.03 +REMARK 500 ASN F 34 -153.08 53.94 +REMARK 500 ASP F 160 71.11 -163.47 +REMARK 500 LYS F 200 30.97 72.52 +REMARK 500 SER F 215 -8.89 85.27 +REMARK 500 ASN G 34 -156.94 55.49 +REMARK 500 ASP G 160 72.06 -159.82 +REMARK 500 SER G 215 -9.55 87.33 +REMARK 500 ASN H 34 -156.44 56.43 +REMARK 500 ASP H 160 66.33 -160.89 +REMARK 500 LYS H 200 31.69 70.11 +REMARK 500 SER H 215 -10.25 86.33 +REMARK 500 ASN I 34 -160.34 57.72 +REMARK 500 ASP I 160 74.99 -155.33 +REMARK 500 SER I 215 -6.99 82.36 +REMARK 500 ASN J 34 -153.05 50.87 +REMARK 500 ASP J 160 66.30 -152.89 +REMARK 500 SER J 215 -5.87 83.00 +REMARK 500 ASN K 34 -157.13 56.33 +REMARK 500 ASP K 160 70.40 -162.51 +REMARK 500 SER K 215 -9.71 82.94 +REMARK 500 ASN L 34 -155.76 54.35 +REMARK 500 ASP L 160 73.13 -159.99 +REMARK 500 SER L 215 -11.55 90.18 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 525 +REMARK 525 SOLVENT +REMARK 525 +REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT +REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST +REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT +REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE +REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; +REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE +REMARK 525 NUMBER; I=INSERTION CODE): +REMARK 525 +REMARK 525 M RES CSSEQI +REMARK 525 HOH B1484 DISTANCE = 8.72 ANGSTROMS +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN G 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU G 167 OE2 +REMARK 620 2 HIS G 33 NE2 119.7 +REMARK 620 3 ASP G 42 OD1 96.7 93.6 +REMARK 620 4 HOH G 380 O 118.5 107.9 117.5 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN J 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU J 167 OE2 +REMARK 620 2 ASP J 42 OD1 99.1 +REMARK 620 3 HIS J 33 NE2 121.0 96.5 +REMARK 620 4 HOH J 270 O 114.2 114.6 109.7 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 167 OE2 +REMARK 620 2 ASP A 42 OD1 96.8 +REMARK 620 3 HIS A 33 NE2 122.3 93.0 +REMARK 620 4 HOH A 775 O 110.4 124.3 109.9 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN F 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU F 167 OE2 +REMARK 620 2 ASP F 42 OD1 100.0 +REMARK 620 3 HIS F 33 NE2 128.8 94.5 +REMARK 620 4 HOH F 560 O 108.3 114.0 109.8 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN L 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP L 42 OD1 +REMARK 620 2 GLU L 167 OE2 96.4 +REMARK 620 3 HIS L 33 NE2 92.5 119.4 +REMARK 620 4 HOH L 453 O 126.4 121.1 99.2 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN E 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU E 167 OE2 +REMARK 620 2 ASP E 42 OD1 95.6 +REMARK 620 3 HIS E 33 NE2 128.4 100.3 +REMARK 620 4 HOH E 445 O 112.3 118.0 102.5 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN I 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU I 167 OE2 +REMARK 620 2 ASP I 42 OD1 95.6 +REMARK 620 3 HIS I 33 NE2 123.8 93.2 +REMARK 620 4 HOH I 462 O 116.2 117.5 107.9 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN H 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP H 42 OD1 +REMARK 620 2 GLU H 167 OE2 97.6 +REMARK 620 3 HIS H 33 NE2 96.2 123.1 +REMARK 620 4 HOH H 268 O 120.2 108.1 111.4 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN K 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU K 167 OE2 +REMARK 620 2 ASP K 42 OD1 91.9 +REMARK 620 3 HIS K 33 NE2 128.8 97.8 +REMARK 620 4 HOH K 549 O 107.6 115.0 113.0 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN D 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP D 42 OD1 +REMARK 620 2 HIS D 33 NE2 93.6 +REMARK 620 3 GLU D 167 OE2 94.7 123.8 +REMARK 620 4 HOH D 289 O 117.9 111.5 112.8 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP B 42 OD1 +REMARK 620 2 HIS B 33 NE2 96.4 +REMARK 620 3 GLU B 167 OE2 88.8 126.8 +REMARK 620 4 GLU B 167 OE1 139.8 95.6 53.9 +REMARK 620 5 HOH B 262 O 118.4 110.5 113.0 92.6 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP B 42 OD2 +REMARK 620 2 GLU B 31 OE1 94.9 +REMARK 620 3 HIS B 119 ND1 98.8 98.3 +REMARK 620 4 HOH B 262 O 97.8 111.2 144.6 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN C 302 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU C 167 OE2 +REMARK 620 2 ASP C 42 OD1 94.8 +REMARK 620 3 HIS C 33 NE2 122.6 96.3 +REMARK 620 4 HOH C 332 O 119.1 122.2 101.0 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN F 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP F 42 OD2 +REMARK 620 2 GLU F 31 OE1 86.5 +REMARK 620 3 HIS F 119 ND1 96.6 103.7 +REMARK 620 4 HOH F 560 O 100.1 116.4 137.2 +REMARK 620 5 HOH F1337 O 178.4 91.9 83.5 80.9 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN I 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP I 42 OD2 +REMARK 620 2 GLU I 31 OE1 93.8 +REMARK 620 3 HIS I 119 ND1 96.8 100.7 +REMARK 620 4 HOH I 462 O 96.4 109.6 146.0 +REMARK 620 5 HOH I 508 O 173.7 80.5 87.0 83.1 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN D 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP D 42 OD2 +REMARK 620 2 GLU D 31 OE1 92.0 +REMARK 620 3 HIS D 119 ND1 90.8 91.9 +REMARK 620 4 HOH D 289 O 101.1 122.2 143.0 +REMARK 620 5 HOH D 292 O 176.0 87.9 85.2 82.3 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN G 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP G 42 OD2 +REMARK 620 2 GLU G 31 OE1 93.0 +REMARK 620 3 HIS G 119 ND1 91.7 97.5 +REMARK 620 4 HOH G 380 O 99.7 115.9 143.8 +REMARK 620 5 HOH G 613 O 175.9 87.3 84.2 83.8 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN L 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP L 42 OD2 +REMARK 620 2 GLU L 31 OE1 94.9 +REMARK 620 3 HIS L 119 ND1 99.1 103.1 +REMARK 620 4 HOH L 453 O 96.1 105.2 146.5 +REMARK 620 5 HOH L1225 O 173.8 81.1 86.4 80.5 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN C 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP C 42 OD2 +REMARK 620 2 GLU C 31 OE1 89.2 +REMARK 620 3 HIS C 119 ND1 96.7 102.6 +REMARK 620 4 HOH C 332 O 100.7 109.1 143.8 +REMARK 620 5 HOH C 478 O 178.5 89.3 84.2 79.2 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN E 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP E 42 OD2 +REMARK 620 2 GLU E 31 OE1 89.4 +REMARK 620 3 HIS E 119 ND1 96.3 95.9 +REMARK 620 4 HOH E 445 O 95.2 111.7 150.1 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN J 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU J 31 OE1 +REMARK 620 2 ASP J 42 OD2 90.2 +REMARK 620 3 HIS J 119 ND1 103.0 92.8 +REMARK 620 4 HOH J 270 O 113.0 95.2 143.0 +REMARK 620 5 HOH J1099 O 87.7 176.1 84.4 88.7 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN K 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP K 42 OD2 +REMARK 620 2 GLU K 31 OE1 92.6 +REMARK 620 3 HIS K 119 ND1 93.5 100.7 +REMARK 620 4 HOH K 524 O 175.1 87.8 81.6 +REMARK 620 5 HOH K 549 O 99.8 112.6 143.3 84.6 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN H 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP H 42 OD2 +REMARK 620 2 GLU H 31 OE1 86.0 +REMARK 620 3 HIS H 119 ND1 90.9 98.1 +REMARK 620 4 HOH H 268 O 98.2 115.0 146.2 +REMARK 620 5 HOH H1257 O 172.0 86.2 92.1 83.4 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 301 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP A 42 OD2 +REMARK 620 2 GLU A 31 OE1 87.0 +REMARK 620 3 HIS A 119 ND1 93.1 101.3 +REMARK 620 4 HOH A 775 O 99.8 114.0 142.9 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA D 254 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP D 209 O +REMARK 620 2 HOH D1119 O 96.5 +REMARK 620 3 HOH D1188 O 169.7 93.8 +REMARK 620 4 HOH D1752 O 77.2 81.0 103.8 +REMARK 620 5 HOH D1204 O 87.0 133.9 86.4 143.5 +REMARK 620 6 HOH D1232 O 81.1 144.7 90.1 64.0 81.3 +REMARK 620 N 1 2 3 4 5 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA I 254 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP I 209 O +REMARK 620 2 HOH I1420 O 90.0 +REMARK 620 3 HOH I 698 O 170.3 86.0 +REMARK 620 4 HOH I1560 O 80.9 70.0 105.9 +REMARK 620 5 HOH I 506 O 78.3 85.4 92.6 147.6 +REMARK 620 6 HOH I1055 O 87.5 146.2 100.7 76.2 126.9 +REMARK 620 7 HOH I 477 O 89.8 135.5 86.8 153.2 51.2 78.3 +REMARK 620 N 1 2 3 4 5 6 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA E 254 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP E 209 O +REMARK 620 2 HOH E1957 O 95.2 +REMARK 620 3 HOH E 887 O 84.4 70.5 +REMARK 620 4 HOH E1669 O 86.0 142.5 146.4 +REMARK 620 5 HOH E1371 O 80.1 86.6 151.0 56.7 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA C 254 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HOH C 873 O +REMARK 620 2 HOH C1850 O 69.2 +REMARK 620 3 HOH C1942 O 79.4 148.1 +REMARK 620 4 HOH C 290 O 93.3 87.5 88.6 +REMARK 620 5 HOH C 597 O 149.2 141.3 69.8 85.7 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA J 254 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HOH J1881 O +REMARK 620 2 HOH J 605 O 161.1 +REMARK 620 3 HOH J1667 O 64.6 134.3 +REMARK 620 4 HOH J1938 O 90.4 86.8 100.2 +REMARK 620 5 HOH J1568 O 89.5 71.7 154.0 76.6 +REMARK 620 6 HOH J 291 O 97.4 85.3 84.7 172.1 101.8 +REMARK 620 N 1 2 3 4 5 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA I 255 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HOH I1208 O +REMARK 620 2 HOH I2104 O 115.4 +REMARK 620 3 HOH I 260 O 101.7 142.8 +REMARK 620 4 HOH I1476 O 155.9 63.8 83.3 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA D 255 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HOH D2150 O +REMARK 620 2 HOH E2143 O 108.9 +REMARK 620 3 HOH E 270 O 104.6 146.4 +REMARK 620 4 HOH D1809 O 84.6 80.9 101.0 +REMARK 620 5 HOH D1045 O 78.4 91.2 97.0 157.9 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA A 254 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HOH A1795 O +REMARK 620 2 HOH F1824 O 90.6 +REMARK 620 3 HOH A1920 O 102.0 142.2 +REMARK 620 4 HOH A 434 O 146.3 82.8 103.3 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA E 255 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HOH E1249 O +REMARK 620 2 HOH E 999 O 98.6 +REMARK 620 3 HOH D 283 O 160.6 100.7 +REMARK 620 4 HOH E1756 O 84.0 73.7 99.3 +REMARK 620 5 HOH D1736 O 95.7 132.7 72.6 153.0 +REMARK 620 6 HOH E1533 O 79.3 151.5 82.7 77.9 75.6 +REMARK 620 N 1 2 3 4 5 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA L 254 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HOH L1622 O +REMARK 620 2 HOH L 321 O 103.2 +REMARK 620 3 HOH L1472 O 71.7 91.9 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA G 254 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HOH G1037 O +REMARK 620 2 HOH L 377 O 81.2 +REMARK 620 3 HOH L1822 O 75.7 94.0 +REMARK 620 4 HOH G1326 O 145.6 94.0 138.7 +REMARK 620 5 HOH L1567 O 102.1 156.3 64.7 95.8 +REMARK 620 6 HOH G2098 O 70.9 89.2 145.5 75.0 114.1 +REMARK 620 7 HOH G2063 O 136.0 95.9 60.6 78.3 65.2 153.1 +REMARK 620 N 1 2 3 4 5 6 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 255 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B 255 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN C 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN C 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA C 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO C 255 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO C 256 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL C 257 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN D 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN D 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA D 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA D 255 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: CC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO D 256 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: CC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO D 257 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: CC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL D 258 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: CC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN E 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: CC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN E 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: CC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA E 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: CC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA E 255 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: CC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 256 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: CC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL E 257 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: DC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL E 258 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: DC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN F 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: DC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN F 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: DC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA F 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: DC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL F 255 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: DC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN G 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: DC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN G 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: DC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA G 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: DC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO G 255 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: EC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL G 256 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: EC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN H 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: EC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN H 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: EC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL H 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: EC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN I 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: EC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN I 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: EC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA I 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: EC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA I 255 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: EC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL I 256 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: FC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN J 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: FC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN J 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: FC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA J 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: FC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO J 255 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: FC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL J 256 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: FC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN K 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: FC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN K 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: FC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO K 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: FC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO K 255 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: GC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL K 256 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: GC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN L 301 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: GC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN L 302 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: GC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA L 254 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: GC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO L 255 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: GC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL L 256 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 398858 RELATED DB: TARGETDB +REMARK 999 +REMARK 999 SEQUENCE +REMARK 999 THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG +REMARK 999 MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE +REMARK 999 LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE. +DBREF 3LUB A 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +DBREF 3LUB B 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +DBREF 3LUB C 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +DBREF 3LUB D 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +DBREF 3LUB E 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +DBREF 3LUB F 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +DBREF 3LUB G 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +DBREF 3LUB H 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +DBREF 3LUB I 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +DBREF 3LUB J 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +DBREF 3LUB K 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +DBREF 3LUB L 1 253 UNP Q5LE76 Q5LE76_BACFN 1 253 +SEQADV 3LUB GLY A 0 UNP Q5LE76 LEADER SEQUENCE +SEQADV 3LUB GLY B 0 UNP Q5LE76 LEADER SEQUENCE +SEQADV 3LUB GLY C 0 UNP Q5LE76 LEADER SEQUENCE +SEQADV 3LUB GLY D 0 UNP Q5LE76 LEADER SEQUENCE +SEQADV 3LUB GLY E 0 UNP Q5LE76 LEADER SEQUENCE +SEQADV 3LUB GLY F 0 UNP Q5LE76 LEADER SEQUENCE +SEQADV 3LUB GLY G 0 UNP Q5LE76 LEADER SEQUENCE +SEQADV 3LUB GLY H 0 UNP Q5LE76 LEADER SEQUENCE +SEQADV 3LUB GLY I 0 UNP Q5LE76 LEADER SEQUENCE +SEQADV 3LUB GLY J 0 UNP Q5LE76 LEADER SEQUENCE +SEQADV 3LUB GLY K 0 UNP Q5LE76 LEADER SEQUENCE +SEQADV 3LUB GLY L 0 UNP Q5LE76 LEADER SEQUENCE +SEQRES 1 A 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 A 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 A 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 A 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 A 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 A 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 A 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 A 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 A 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 A 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 A 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 A 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 A 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 A 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 A 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 A 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 A 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 A 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 A 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 A 254 ALA GLN HIS ASP LEU TYR GLU +SEQRES 1 B 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 B 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 B 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 B 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 B 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 B 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 B 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 B 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 B 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 B 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 B 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 B 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 B 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 B 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 B 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 B 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 B 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 B 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 B 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 B 254 ALA GLN HIS ASP LEU TYR GLU +SEQRES 1 C 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 C 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 C 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 C 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 C 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 C 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 C 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 C 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 C 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 C 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 C 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 C 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 C 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 C 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 C 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 C 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 C 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 C 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 C 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 C 254 ALA GLN HIS ASP LEU TYR GLU +SEQRES 1 D 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 D 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 D 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 D 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 D 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 D 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 D 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 D 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 D 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 D 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 D 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 D 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 D 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 D 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 D 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 D 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 D 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 D 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 D 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 D 254 ALA GLN HIS ASP LEU TYR GLU +SEQRES 1 E 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 E 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 E 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 E 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 E 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 E 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 E 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 E 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 E 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 E 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 E 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 E 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 E 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 E 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 E 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 E 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 E 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 E 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 E 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 E 254 ALA GLN HIS ASP LEU TYR GLU +SEQRES 1 F 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 F 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 F 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 F 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 F 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 F 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 F 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 F 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 F 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 F 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 F 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 F 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 F 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 F 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 F 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 F 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 F 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 F 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 F 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 F 254 ALA GLN HIS ASP LEU TYR GLU +SEQRES 1 G 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 G 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 G 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 G 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 G 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 G 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 G 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 G 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 G 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 G 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 G 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 G 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 G 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 G 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 G 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 G 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 G 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 G 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 G 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 G 254 ALA GLN HIS ASP LEU TYR GLU +SEQRES 1 H 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 H 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 H 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 H 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 H 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 H 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 H 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 H 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 H 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 H 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 H 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 H 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 H 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 H 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 H 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 H 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 H 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 H 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 H 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 H 254 ALA GLN HIS ASP LEU TYR GLU +SEQRES 1 I 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 I 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 I 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 I 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 I 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 I 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 I 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 I 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 I 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 I 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 I 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 I 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 I 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 I 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 I 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 I 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 I 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 I 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 I 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 I 254 ALA GLN HIS ASP LEU TYR GLU +SEQRES 1 J 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 J 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 J 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 J 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 J 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 J 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 J 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 J 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 J 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 J 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 J 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 J 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 J 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 J 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 J 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 J 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 J 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 J 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 J 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 J 254 ALA GLN HIS ASP LEU TYR GLU +SEQRES 1 K 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 K 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 K 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 K 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 K 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 K 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 K 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 K 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 K 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 K 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 K 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 K 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 K 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 K 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 K 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 K 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 K 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 K 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 K 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 K 254 ALA GLN HIS ASP LEU TYR GLU +SEQRES 1 L 254 GLY MSE ASN LYS GLU VAL ASP LEU SER VAL SER CYS LEU +SEQRES 2 L 254 GLY LYS VAL LYS GLU LEU LYS TYR ASP VAL ILE ILE LEU +SEQRES 3 L 254 PRO TRP GLY ALA THR GLU PRO HIS ASN LEU HIS LEU PRO +SEQRES 4 L 254 TYR LEU THR ASP CYS ILE LEU PRO HIS ASP ILE ALA VAL +SEQRES 5 L 254 GLU ALA ALA GLU LEU ALA LEU SER ARG SER GLY VAL ARG +SEQRES 6 L 254 CYS MSE VAL MSE PRO PRO VAL PRO PHE GLY ALA HIS ASN +SEQRES 7 L 254 PRO GLY GLN ARG GLU LEU PRO PHE CYS ILE HIS THR ARG +SEQRES 8 L 254 TYR ALA THR GLN GLN ALA ILE LEU GLU ASP ILE VAL SER +SEQRES 9 L 254 SER LEU HIS VAL GLN GLY PHE ARG LYS LEU LEU ILE LEU +SEQRES 10 L 254 SER GLY HIS GLY GLY ASN ASN PHE LYS GLY MSE ILE ARG +SEQRES 11 L 254 ASP LEU ALA PHE GLU TYR PRO ASP PHE LEU ILE ALA ALA +SEQRES 12 L 254 ALA ASN TRP PHE GLU VAL VAL SER PRO LYS GLY TYR PHE +SEQRES 13 L 254 GLU ALA GLU ILE ASP ASP HIS ALA GLY GLU SER GLU THR +SEQRES 14 L 254 SER VAL MSE MSE HIS TYR HIS PRO GLU LEU VAL ASN LEU +SEQRES 15 L 254 ALA GLU ALA GLY ASP GLY GLU SER LYS PRO PHE ALA ILE +SEQRES 16 L 254 ALA SER LEU ASN GLU LYS VAL ALA TRP VAL PRO ARG HIS +SEQRES 17 L 254 TRP ASP LYS ALA THR VAL ASP SER GLY VAL GLY ASN PRO +SEQRES 18 L 254 LYS LYS ALA THR ALA GLU LYS GLY GLU ARG TYR VAL LYS +SEQRES 19 L 254 PRO ILE VAL GLU LYS LEU ALA GLY LEU PHE GLU GLU MSE +SEQRES 20 L 254 ALA GLN HIS ASP LEU TYR GLU +MODRES 3LUB MSE A 1 MET SELENOMETHIONINE +MODRES 3LUB MSE A 66 MET SELENOMETHIONINE +MODRES 3LUB MSE A 68 MET SELENOMETHIONINE +MODRES 3LUB MSE A 127 MET SELENOMETHIONINE +MODRES 3LUB MSE A 171 MET SELENOMETHIONINE +MODRES 3LUB MSE A 172 MET SELENOMETHIONINE +MODRES 3LUB MSE A 246 MET SELENOMETHIONINE +MODRES 3LUB MSE B 1 MET SELENOMETHIONINE +MODRES 3LUB MSE B 66 MET SELENOMETHIONINE +MODRES 3LUB MSE B 68 MET SELENOMETHIONINE +MODRES 3LUB MSE B 127 MET SELENOMETHIONINE +MODRES 3LUB MSE B 171 MET SELENOMETHIONINE +MODRES 3LUB MSE B 172 MET SELENOMETHIONINE +MODRES 3LUB MSE B 246 MET SELENOMETHIONINE +MODRES 3LUB MSE C 1 MET SELENOMETHIONINE +MODRES 3LUB MSE C 66 MET SELENOMETHIONINE +MODRES 3LUB MSE C 68 MET SELENOMETHIONINE +MODRES 3LUB MSE C 127 MET SELENOMETHIONINE +MODRES 3LUB MSE C 171 MET SELENOMETHIONINE +MODRES 3LUB MSE C 172 MET SELENOMETHIONINE +MODRES 3LUB MSE C 246 MET SELENOMETHIONINE +MODRES 3LUB MSE D 1 MET SELENOMETHIONINE +MODRES 3LUB MSE D 66 MET SELENOMETHIONINE +MODRES 3LUB MSE D 68 MET SELENOMETHIONINE +MODRES 3LUB MSE D 127 MET SELENOMETHIONINE +MODRES 3LUB MSE D 171 MET SELENOMETHIONINE +MODRES 3LUB MSE D 172 MET SELENOMETHIONINE +MODRES 3LUB MSE D 246 MET SELENOMETHIONINE +MODRES 3LUB MSE E 1 MET SELENOMETHIONINE +MODRES 3LUB MSE E 66 MET SELENOMETHIONINE +MODRES 3LUB MSE E 68 MET SELENOMETHIONINE +MODRES 3LUB MSE E 127 MET SELENOMETHIONINE +MODRES 3LUB MSE E 171 MET SELENOMETHIONINE +MODRES 3LUB MSE E 172 MET SELENOMETHIONINE +MODRES 3LUB MSE E 246 MET SELENOMETHIONINE +MODRES 3LUB MSE F 1 MET SELENOMETHIONINE +MODRES 3LUB MSE F 66 MET SELENOMETHIONINE +MODRES 3LUB MSE F 68 MET SELENOMETHIONINE +MODRES 3LUB MSE F 127 MET SELENOMETHIONINE +MODRES 3LUB MSE F 171 MET SELENOMETHIONINE +MODRES 3LUB MSE F 172 MET SELENOMETHIONINE +MODRES 3LUB MSE F 246 MET SELENOMETHIONINE +MODRES 3LUB MSE G 1 MET SELENOMETHIONINE +MODRES 3LUB MSE G 66 MET SELENOMETHIONINE +MODRES 3LUB MSE G 68 MET SELENOMETHIONINE +MODRES 3LUB MSE G 127 MET SELENOMETHIONINE +MODRES 3LUB MSE G 171 MET SELENOMETHIONINE +MODRES 3LUB MSE G 172 MET SELENOMETHIONINE +MODRES 3LUB MSE G 246 MET SELENOMETHIONINE +MODRES 3LUB MSE H 1 MET SELENOMETHIONINE +MODRES 3LUB MSE H 66 MET SELENOMETHIONINE +MODRES 3LUB MSE H 68 MET SELENOMETHIONINE +MODRES 3LUB MSE H 127 MET SELENOMETHIONINE +MODRES 3LUB MSE H 171 MET SELENOMETHIONINE +MODRES 3LUB MSE H 172 MET SELENOMETHIONINE +MODRES 3LUB MSE H 246 MET SELENOMETHIONINE +MODRES 3LUB MSE I 1 MET SELENOMETHIONINE +MODRES 3LUB MSE I 66 MET SELENOMETHIONINE +MODRES 3LUB MSE I 68 MET SELENOMETHIONINE +MODRES 3LUB MSE I 127 MET SELENOMETHIONINE +MODRES 3LUB MSE I 171 MET SELENOMETHIONINE +MODRES 3LUB MSE I 172 MET SELENOMETHIONINE +MODRES 3LUB MSE I 246 MET SELENOMETHIONINE +MODRES 3LUB MSE J 1 MET SELENOMETHIONINE +MODRES 3LUB MSE J 66 MET SELENOMETHIONINE +MODRES 3LUB MSE J 68 MET SELENOMETHIONINE +MODRES 3LUB MSE J 127 MET SELENOMETHIONINE +MODRES 3LUB MSE J 171 MET SELENOMETHIONINE +MODRES 3LUB MSE J 172 MET SELENOMETHIONINE +MODRES 3LUB MSE J 246 MET SELENOMETHIONINE +MODRES 3LUB MSE K 1 MET SELENOMETHIONINE +MODRES 3LUB MSE K 66 MET SELENOMETHIONINE +MODRES 3LUB MSE K 68 MET SELENOMETHIONINE +MODRES 3LUB MSE K 127 MET SELENOMETHIONINE +MODRES 3LUB MSE K 171 MET SELENOMETHIONINE +MODRES 3LUB MSE K 172 MET SELENOMETHIONINE +MODRES 3LUB MSE K 246 MET SELENOMETHIONINE +MODRES 3LUB MSE L 1 MET SELENOMETHIONINE +MODRES 3LUB MSE L 66 MET SELENOMETHIONINE +MODRES 3LUB MSE L 68 MET SELENOMETHIONINE +MODRES 3LUB MSE L 127 MET SELENOMETHIONINE +MODRES 3LUB MSE L 171 MET SELENOMETHIONINE +MODRES 3LUB MSE L 172 MET SELENOMETHIONINE +MODRES 3LUB MSE L 246 MET SELENOMETHIONINE +HET MSE A 1 8 +HET MSE A 66 8 +HET MSE A 68 8 +HET MSE A 127 8 +HET MSE A 171 8 +HET MSE A 172 8 +HET MSE A 246 8 +HET MSE B 1 8 +HET MSE B 66 8 +HET MSE B 68 8 +HET MSE B 127 8 +HET MSE B 171 8 +HET MSE B 172 8 +HET MSE B 246 8 +HET MSE C 1 8 +HET MSE C 66 8 +HET MSE C 68 8 +HET MSE C 127 8 +HET MSE C 171 8 +HET MSE C 172 8 +HET MSE C 246 8 +HET MSE D 1 8 +HET MSE D 66 8 +HET MSE D 68 8 +HET MSE D 127 8 +HET MSE D 171 8 +HET MSE D 172 8 +HET MSE D 246 8 +HET MSE E 1 8 +HET MSE E 66 8 +HET MSE E 68 8 +HET MSE E 127 8 +HET MSE E 171 8 +HET MSE E 172 8 +HET MSE E 246 8 +HET MSE F 1 8 +HET MSE F 66 8 +HET MSE F 68 8 +HET MSE F 127 8 +HET MSE F 171 8 +HET MSE F 172 8 +HET MSE F 246 8 +HET MSE G 1 8 +HET MSE G 66 8 +HET MSE G 68 8 +HET MSE G 127 8 +HET MSE G 171 8 +HET MSE G 172 8 +HET MSE G 246 8 +HET MSE H 1 8 +HET MSE H 66 8 +HET MSE H 68 8 +HET MSE H 127 8 +HET MSE H 171 8 +HET MSE H 172 8 +HET MSE H 246 8 +HET MSE I 1 8 +HET MSE I 66 8 +HET MSE I 68 8 +HET MSE I 127 8 +HET MSE I 171 8 +HET MSE I 172 8 +HET MSE I 246 8 +HET MSE J 1 8 +HET MSE J 66 8 +HET MSE J 68 8 +HET MSE J 127 8 +HET MSE J 171 8 +HET MSE J 172 8 +HET MSE J 246 8 +HET MSE K 1 8 +HET MSE K 66 8 +HET MSE K 68 8 +HET MSE K 127 8 +HET MSE K 171 8 +HET MSE K 172 8 +HET MSE K 246 8 +HET MSE L 1 8 +HET MSE L 66 8 +HET MSE L 68 8 +HET MSE L 127 8 +HET MSE L 171 8 +HET MSE L 172 8 +HET MSE L 246 8 +HET ZN A 301 1 +HET ZN A 302 1 +HET CA A 254 1 +HET CL A 255 1 +HET ZN B 301 1 +HET ZN B 302 1 +HET EDO B 254 4 +HET CL B 255 1 +HET ZN C 301 1 +HET ZN C 302 1 +HET CA C 254 1 +HET EDO C 255 4 +HET EDO C 256 4 +HET CL C 257 1 +HET ZN D 301 1 +HET ZN D 302 1 +HET CA D 254 1 +HET CA D 255 1 +HET EDO D 256 4 +HET EDO D 257 4 +HET CL D 258 1 +HET ZN E 301 1 +HET ZN E 302 1 +HET CA E 254 1 +HET CA E 255 1 +HET EDO E 256 4 +HET CL E 257 1 +HET CL E 258 1 +HET ZN F 301 1 +HET ZN F 302 1 +HET CA F 254 1 +HET CL F 255 1 +HET ZN G 301 1 +HET ZN G 302 1 +HET CA G 254 1 +HET EDO G 255 4 +HET CL G 256 1 +HET ZN H 301 1 +HET ZN H 302 1 +HET CL H 254 1 +HET ZN I 301 1 +HET ZN I 302 1 +HET CA I 254 1 +HET CA I 255 1 +HET CL I 256 1 +HET ZN J 301 1 +HET ZN J 302 1 +HET CA J 254 1 +HET EDO J 255 4 +HET CL J 256 1 +HET ZN K 301 1 +HET ZN K 302 1 +HET EDO K 254 4 +HET EDO K 255 4 +HET CL K 256 1 +HET ZN L 301 1 +HET ZN L 302 1 +HET CA L 254 1 +HET EDO L 255 4 +HET CL L 256 1 +HETNAM MSE SELENOMETHIONINE +HETNAM ZN ZINC ION +HETNAM CA CALCIUM ION +HETNAM CL CHLORIDE ION +HETNAM EDO 1,2-ETHANEDIOL +HETSYN EDO ETHYLENE GLYCOL +FORMUL 1 MSE 84(C5 H11 N O2 SE) +FORMUL 13 ZN 24(ZN 2+) +FORMUL 15 CA 12(CA 2+) +FORMUL 16 CL 13(CL 1-) +FORMUL 19 EDO 11(C2 H6 O2) +FORMUL 73 HOH *2222(H2 O) +HELIX 1 1 CYS A 11 LYS A 16 1 6 +HELIX 2 2 LEU A 40 GLY A 62 1 23 +HELIX 3 3 ARG A 90 GLN A 108 1 19 +HELIX 4 4 PHE A 124 TYR A 135 1 12 +HELIX 5 5 PHE A 146 VAL A 148 5 3 +HELIX 6 6 GLY A 164 HIS A 175 1 12 +HELIX 7 7 PRO A 176 VAL A 179 5 4 +HELIX 8 8 ASN A 180 ALA A 184 5 5 +HELIX 9 9 ILE A 194 GLU A 199 1 6 +HELIX 10 10 HIS A 207 THR A 212 1 6 +HELIX 11 11 THR A 224 HIS A 249 1 26 +HELIX 12 12 CYS B 11 LYS B 16 1 6 +HELIX 13 13 LEU B 40 GLY B 62 1 23 +HELIX 14 14 ARG B 90 GLN B 108 1 19 +HELIX 15 15 PHE B 124 TYR B 135 1 12 +HELIX 16 16 PHE B 146 VAL B 148 5 3 +HELIX 17 17 GLY B 164 HIS B 175 1 12 +HELIX 18 18 PRO B 176 VAL B 179 5 4 +HELIX 19 19 ASN B 180 ALA B 184 5 5 +HELIX 20 20 ILE B 194 GLU B 199 1 6 +HELIX 21 21 HIS B 207 THR B 212 1 6 +HELIX 22 22 THR B 224 HIS B 249 1 26 +HELIX 23 23 CYS C 11 LYS C 16 1 6 +HELIX 24 24 LEU C 40 GLY C 62 1 23 +HELIX 25 25 ARG C 90 GLN C 108 1 19 +HELIX 26 26 PHE C 124 TYR C 135 1 12 +HELIX 27 27 PHE C 146 VAL C 148 5 3 +HELIX 28 28 GLY C 164 HIS C 175 1 12 +HELIX 29 29 PRO C 176 VAL C 179 5 4 +HELIX 30 30 ASN C 180 ALA C 184 5 5 +HELIX 31 31 ILE C 194 GLU C 199 1 6 +HELIX 32 32 HIS C 207 THR C 212 1 6 +HELIX 33 33 THR C 224 HIS C 249 1 26 +HELIX 34 34 CYS D 11 LYS D 16 1 6 +HELIX 35 35 LEU D 40 GLY D 62 1 23 +HELIX 36 36 ARG D 90 GLN D 108 1 19 +HELIX 37 37 PHE D 124 TYR D 135 1 12 +HELIX 38 38 PHE D 146 VAL D 148 5 3 +HELIX 39 39 GLY D 164 HIS D 175 1 12 +HELIX 40 40 PRO D 176 VAL D 179 5 4 +HELIX 41 41 ASN D 180 ALA D 184 5 5 +HELIX 42 42 ILE D 194 GLU D 199 1 6 +HELIX 43 43 HIS D 207 THR D 212 1 6 +HELIX 44 44 THR D 224 HIS D 249 1 26 +HELIX 45 45 CYS E 11 LYS E 16 1 6 +HELIX 46 46 LEU E 40 GLY E 62 1 23 +HELIX 47 47 ARG E 90 GLN E 108 1 19 +HELIX 48 48 PHE E 124 TYR E 135 1 12 +HELIX 49 49 PHE E 146 VAL E 148 5 3 +HELIX 50 50 GLY E 164 HIS E 175 1 12 +HELIX 51 51 PRO E 176 VAL E 179 5 4 +HELIX 52 52 ASN E 180 ALA E 184 5 5 +HELIX 53 53 ILE E 194 GLU E 199 1 6 +HELIX 54 54 HIS E 207 THR E 212 1 6 +HELIX 55 55 THR E 224 HIS E 249 1 26 +HELIX 56 56 CYS F 11 LYS F 16 1 6 +HELIX 57 57 LEU F 40 GLY F 62 1 23 +HELIX 58 58 ARG F 90 GLN F 108 1 19 +HELIX 59 59 PHE F 124 TYR F 135 1 12 +HELIX 60 60 PHE F 146 VAL F 148 5 3 +HELIX 61 61 GLY F 164 HIS F 175 1 12 +HELIX 62 62 PRO F 176 VAL F 179 5 4 +HELIX 63 63 ASN F 180 ALA F 184 5 5 +HELIX 64 64 ILE F 194 GLU F 199 1 6 +HELIX 65 65 HIS F 207 THR F 212 1 6 +HELIX 66 66 THR F 224 HIS F 249 1 26 +HELIX 67 67 CYS G 11 LYS G 16 1 6 +HELIX 68 68 LEU G 40 GLY G 62 1 23 +HELIX 69 69 ARG G 90 GLN G 108 1 19 +HELIX 70 70 PHE G 124 TYR G 135 1 12 +HELIX 71 71 PHE G 146 VAL G 148 5 3 +HELIX 72 72 GLY G 164 HIS G 175 1 12 +HELIX 73 73 PRO G 176 VAL G 179 5 4 +HELIX 74 74 ASN G 180 ALA G 184 5 5 +HELIX 75 75 ILE G 194 GLU G 199 1 6 +HELIX 76 76 HIS G 207 THR G 212 1 6 +HELIX 77 77 THR G 224 HIS G 249 1 26 +HELIX 78 78 CYS H 11 LYS H 16 1 6 +HELIX 79 79 LEU H 40 GLY H 62 1 23 +HELIX 80 80 ARG H 90 GLN H 108 1 19 +HELIX 81 81 PHE H 124 TYR H 135 1 12 +HELIX 82 82 PHE H 146 VAL H 148 5 3 +HELIX 83 83 GLY H 164 HIS H 175 1 12 +HELIX 84 84 PRO H 176 VAL H 179 5 4 +HELIX 85 85 ASN H 180 ALA H 184 5 5 +HELIX 86 86 ILE H 194 GLU H 199 1 6 +HELIX 87 87 HIS H 207 THR H 212 1 6 +HELIX 88 88 THR H 224 HIS H 249 1 26 +HELIX 89 89 CYS I 11 LYS I 16 1 6 +HELIX 90 90 LEU I 40 GLY I 62 1 23 +HELIX 91 91 ARG I 90 GLN I 108 1 19 +HELIX 92 92 PHE I 124 TYR I 135 1 12 +HELIX 93 93 PHE I 146 VAL I 148 5 3 +HELIX 94 94 GLY I 164 HIS I 175 1 12 +HELIX 95 95 PRO I 176 VAL I 179 5 4 +HELIX 96 96 ASN I 180 ALA I 184 5 5 +HELIX 97 97 ILE I 194 GLU I 199 1 6 +HELIX 98 98 HIS I 207 THR I 212 1 6 +HELIX 99 99 THR I 224 HIS I 249 1 26 +HELIX 100 100 CYS J 11 LYS J 16 1 6 +HELIX 101 101 LEU J 40 GLY J 62 1 23 +HELIX 102 102 ARG J 90 GLN J 108 1 19 +HELIX 103 103 PHE J 124 TYR J 135 1 12 +HELIX 104 104 PHE J 146 VAL J 148 5 3 +HELIX 105 105 GLY J 164 HIS J 175 1 12 +HELIX 106 106 PRO J 176 VAL J 179 5 4 +HELIX 107 107 ASN J 180 ALA J 184 5 5 +HELIX 108 108 ILE J 194 GLU J 199 1 6 +HELIX 109 109 HIS J 207 THR J 212 1 6 +HELIX 110 110 THR J 224 HIS J 249 1 26 +HELIX 111 111 CYS K 11 LYS K 16 1 6 +HELIX 112 112 LEU K 40 GLY K 62 1 23 +HELIX 113 113 ARG K 90 GLN K 108 1 19 +HELIX 114 114 PHE K 124 TYR K 135 1 12 +HELIX 115 115 PHE K 146 VAL K 148 5 3 +HELIX 116 116 GLY K 164 HIS K 175 1 12 +HELIX 117 117 PRO K 176 VAL K 179 5 4 +HELIX 118 118 ASN K 180 ALA K 184 5 5 +HELIX 119 119 ILE K 194 GLU K 199 1 6 +HELIX 120 120 HIS K 207 THR K 212 1 6 +HELIX 121 121 THR K 224 HIS K 249 1 26 +HELIX 122 122 CYS L 11 LYS L 16 1 6 +HELIX 123 123 LEU L 40 GLY L 62 1 23 +HELIX 124 124 ARG L 90 GLN L 108 1 19 +HELIX 125 125 PHE L 124 TYR L 135 1 12 +HELIX 126 126 PHE L 146 VAL L 148 5 3 +HELIX 127 127 GLY L 164 HIS L 175 1 12 +HELIX 128 128 PRO L 176 VAL L 179 5 4 +HELIX 129 129 ASN L 180 ALA L 184 5 5 +HELIX 130 130 ILE L 194 GLU L 199 1 6 +HELIX 131 131 HIS L 207 THR L 212 1 6 +HELIX 132 132 THR L 224 HIS L 249 1 26 +SHEET 1 A 4 CYS A 65 VAL A 67 0 +SHEET 2 A 4 VAL A 22 TRP A 27 1 N ILE A 24 O MSE A 66 +SHEET 3 A 4 LYS A 112 SER A 117 1 O LEU A 114 N LEU A 25 +SHEET 4 A 4 LEU A 139 ASN A 144 1 O ALA A 143 N SER A 117 +SHEET 1 B 2 ASP A 160 HIS A 162 0 +SHEET 2 B 2 VAL A 217 GLY A 218 -1 O VAL A 217 N HIS A 162 +SHEET 1 C 4 CYS B 65 VAL B 67 0 +SHEET 2 C 4 VAL B 22 TRP B 27 1 N ILE B 24 O MSE B 66 +SHEET 3 C 4 LYS B 112 SER B 117 1 O LEU B 114 N LEU B 25 +SHEET 4 C 4 LEU B 139 ASN B 144 1 O ALA B 141 N ILE B 115 +SHEET 1 D 4 CYS C 65 VAL C 67 0 +SHEET 2 D 4 VAL C 22 TRP C 27 1 N ILE C 24 O MSE C 66 +SHEET 3 D 4 LYS C 112 SER C 117 1 O LEU C 114 N LEU C 25 +SHEET 4 D 4 LEU C 139 ASN C 144 1 O ALA C 143 N SER C 117 +SHEET 1 E 2 ASP C 160 HIS C 162 0 +SHEET 2 E 2 VAL C 217 GLY C 218 -1 O VAL C 217 N HIS C 162 +SHEET 1 F 4 CYS D 65 VAL D 67 0 +SHEET 2 F 4 VAL D 22 TRP D 27 1 N ILE D 24 O MSE D 66 +SHEET 3 F 4 LYS D 112 SER D 117 1 O LEU D 114 N LEU D 25 +SHEET 4 F 4 LEU D 139 ASN D 144 1 O ALA D 143 N SER D 117 +SHEET 1 G 4 CYS E 65 VAL E 67 0 +SHEET 2 G 4 VAL E 22 TRP E 27 1 N ILE E 24 O MSE E 66 +SHEET 3 G 4 LYS E 112 SER E 117 1 O LEU E 116 N LEU E 25 +SHEET 4 G 4 LEU E 139 ASN E 144 1 O ALA E 143 N SER E 117 +SHEET 1 H 4 CYS F 65 VAL F 67 0 +SHEET 2 H 4 VAL F 22 TRP F 27 1 N ILE F 24 O MSE F 66 +SHEET 3 H 4 LYS F 112 SER F 117 1 O LEU F 114 N LEU F 25 +SHEET 4 H 4 LEU F 139 ASN F 144 1 O ALA F 143 N SER F 117 +SHEET 1 I 4 CYS G 65 VAL G 67 0 +SHEET 2 I 4 VAL G 22 TRP G 27 1 N ILE G 24 O MSE G 66 +SHEET 3 I 4 LYS G 112 SER G 117 1 O LEU G 114 N LEU G 25 +SHEET 4 I 4 LEU G 139 ASN G 144 1 O ALA G 141 N ILE G 115 +SHEET 1 J 4 CYS H 65 VAL H 67 0 +SHEET 2 J 4 VAL H 22 TRP H 27 1 N ILE H 24 O MSE H 66 +SHEET 3 J 4 LYS H 112 SER H 117 1 O LEU H 114 N LEU H 25 +SHEET 4 J 4 LEU H 139 ASN H 144 1 O ALA H 141 N ILE H 115 +SHEET 1 K 4 CYS I 65 VAL I 67 0 +SHEET 2 K 4 VAL I 22 TRP I 27 1 N ILE I 24 O MSE I 66 +SHEET 3 K 4 LYS I 112 SER I 117 1 O LEU I 114 N LEU I 25 +SHEET 4 K 4 LEU I 139 ASN I 144 1 O ALA I 141 N ILE I 115 +SHEET 1 L 4 CYS J 65 VAL J 67 0 +SHEET 2 L 4 VAL J 22 TRP J 27 1 N ILE J 24 O MSE J 66 +SHEET 3 L 4 LYS J 112 SER J 117 1 O LEU J 114 N LEU J 25 +SHEET 4 L 4 LEU J 139 ASN J 144 1 O ALA J 143 N SER J 117 +SHEET 1 M 4 CYS K 65 VAL K 67 0 +SHEET 2 M 4 VAL K 22 TRP K 27 1 N ILE K 24 O MSE K 66 +SHEET 3 M 4 LYS K 112 SER K 117 1 O LEU K 114 N LEU K 25 +SHEET 4 M 4 LEU K 139 ASN K 144 1 O ALA K 141 N ILE K 115 +SHEET 1 N 4 CYS L 65 VAL L 67 0 +SHEET 2 N 4 VAL L 22 TRP L 27 1 N ILE L 24 O MSE L 66 +SHEET 3 N 4 LYS L 112 SER L 117 1 O LEU L 114 N LEU L 25 +SHEET 4 N 4 LEU L 139 ASN L 144 1 O ALA L 141 N ILE L 115 +LINK C MSE A 1 N ASN A 2 1555 1555 1.35 +LINK C CYS A 65 N MSE A 66 1555 1555 1.32 +LINK C MSE A 66 N VAL A 67 1555 1555 1.33 +LINK C VAL A 67 N MSE A 68 1555 1555 1.34 +LINK C MSE A 68 N PRO A 69 1555 1555 1.35 +LINK C GLY A 126 N MSE A 127 1555 1555 1.33 +LINK C MSE A 127 N ILE A 128 1555 1555 1.34 +LINK C VAL A 170 N MSE A 171 1555 1555 1.33 +LINK C MSE A 171 N MSE A 172 1555 1555 1.34 +LINK C MSE A 172 N HIS A 173 1555 1555 1.31 +LINK C GLU A 245 N MSE A 246 1555 1555 1.34 +LINK C MSE A 246 N ALA A 247 1555 1555 1.34 +LINK C MSE B 1 N ASN B 2 1555 1555 1.33 +LINK C CYS B 65 N MSE B 66 1555 1555 1.33 +LINK C MSE B 66 N VAL B 67 1555 1555 1.34 +LINK C VAL B 67 N MSE B 68 1555 1555 1.32 +LINK C MSE B 68 N PRO B 69 1555 1555 1.33 +LINK C GLY B 126 N MSE B 127 1555 1555 1.34 +LINK C MSE B 127 N ILE B 128 1555 1555 1.33 +LINK C VAL B 170 N MSE B 171 1555 1555 1.32 +LINK C MSE B 171 N MSE B 172 1555 1555 1.33 +LINK C MSE B 172 N HIS B 173 1555 1555 1.33 +LINK C GLU B 245 N MSE B 246 1555 1555 1.34 +LINK C MSE B 246 N ALA B 247 1555 1555 1.33 +LINK C MSE C 1 N ASN C 2 1555 1555 1.33 +LINK C CYS C 65 N MSE C 66 1555 1555 1.35 +LINK C MSE C 66 N VAL C 67 1555 1555 1.33 +LINK C VAL C 67 N MSE C 68 1555 1555 1.33 +LINK C MSE C 68 N PRO C 69 1555 1555 1.34 +LINK C GLY C 126 N MSE C 127 1555 1555 1.34 +LINK C MSE C 127 N ILE C 128 1555 1555 1.32 +LINK C VAL C 170 N MSE C 171 1555 1555 1.33 +LINK C MSE C 171 N MSE C 172 1555 1555 1.33 +LINK C MSE C 172 N HIS C 173 1555 1555 1.33 +LINK C GLU C 245 N MSE C 246 1555 1555 1.34 +LINK C MSE C 246 N ALA C 247 1555 1555 1.33 +LINK C MSE D 1 N ASN D 2 1555 1555 1.34 +LINK C CYS D 65 N MSE D 66 1555 1555 1.33 +LINK C MSE D 66 N VAL D 67 1555 1555 1.34 +LINK C VAL D 67 N MSE D 68 1555 1555 1.34 +LINK C MSE D 68 N PRO D 69 1555 1555 1.34 +LINK C GLY D 126 N MSE D 127 1555 1555 1.33 +LINK C MSE D 127 N ILE D 128 1555 1555 1.32 +LINK C VAL D 170 N MSE D 171 1555 1555 1.32 +LINK C MSE D 171 N MSE D 172 1555 1555 1.33 +LINK C MSE D 172 N HIS D 173 1555 1555 1.32 +LINK C GLU D 245 N MSE D 246 1555 1555 1.33 +LINK C MSE D 246 N ALA D 247 1555 1555 1.33 +LINK C MSE E 1 N ASN E 2 1555 1555 1.33 +LINK C CYS E 65 N MSE E 66 1555 1555 1.34 +LINK C MSE E 66 N VAL E 67 1555 1555 1.34 +LINK C VAL E 67 N MSE E 68 1555 1555 1.33 +LINK C MSE E 68 N PRO E 69 1555 1555 1.33 +LINK C GLY E 126 N MSE E 127 1555 1555 1.34 +LINK C MSE E 127 N ILE E 128 1555 1555 1.33 +LINK C VAL E 170 N MSE E 171 1555 1555 1.33 +LINK C MSE E 171 N MSE E 172 1555 1555 1.33 +LINK C MSE E 172 N HIS E 173 1555 1555 1.33 +LINK C GLU E 245 N MSE E 246 1555 1555 1.33 +LINK C MSE E 246 N ALA E 247 1555 1555 1.33 +LINK C GLY F 0 N MSE F 1 1555 1555 1.33 +LINK C MSE F 1 N ASN F 2 1555 1555 1.34 +LINK C CYS F 65 N MSE F 66 1555 1555 1.32 +LINK C MSE F 66 N VAL F 67 1555 1555 1.33 +LINK C VAL F 67 N MSE F 68 1555 1555 1.33 +LINK C MSE F 68 N PRO F 69 1555 1555 1.34 +LINK C GLY F 126 N MSE F 127 1555 1555 1.33 +LINK C MSE F 127 N ILE F 128 1555 1555 1.32 +LINK C VAL F 170 N MSE F 171 1555 1555 1.33 +LINK C MSE F 171 N MSE F 172 1555 1555 1.33 +LINK C MSE F 172 N HIS F 173 1555 1555 1.32 +LINK C GLU F 245 N MSE F 246 1555 1555 1.33 +LINK C MSE F 246 N ALA F 247 1555 1555 1.34 +LINK C MSE G 1 N ASN G 2 1555 1555 1.33 +LINK C CYS G 65 N MSE G 66 1555 1555 1.34 +LINK C MSE G 66 N VAL G 67 1555 1555 1.34 +LINK C VAL G 67 N MSE G 68 1555 1555 1.33 +LINK C MSE G 68 N PRO G 69 1555 1555 1.35 +LINK C GLY G 126 N MSE G 127 1555 1555 1.32 +LINK C MSE G 127 N ILE G 128 1555 1555 1.32 +LINK C VAL G 170 N MSE G 171 1555 1555 1.32 +LINK C MSE G 171 N MSE G 172 1555 1555 1.34 +LINK C MSE G 172 N HIS G 173 1555 1555 1.34 +LINK C GLU G 245 N MSE G 246 1555 1555 1.33 +LINK C MSE G 246 N ALA G 247 1555 1555 1.32 +LINK C MSE H 1 N ASN H 2 1555 1555 1.34 +LINK C CYS H 65 N MSE H 66 1555 1555 1.33 +LINK C MSE H 66 N VAL H 67 1555 1555 1.33 +LINK C VAL H 67 N MSE H 68 1555 1555 1.34 +LINK C MSE H 68 N PRO H 69 1555 1555 1.34 +LINK C GLY H 126 N MSE H 127 1555 1555 1.34 +LINK C MSE H 127 N ILE H 128 1555 1555 1.32 +LINK C VAL H 170 N MSE H 171 1555 1555 1.33 +LINK C MSE H 171 N MSE H 172 1555 1555 1.34 +LINK C MSE H 172 N HIS H 173 1555 1555 1.33 +LINK C GLU H 245 N MSE H 246 1555 1555 1.33 +LINK C MSE H 246 N ALA H 247 1555 1555 1.33 +LINK C MSE I 1 N ASN I 2 1555 1555 1.33 +LINK C CYS I 65 N MSE I 66 1555 1555 1.32 +LINK C MSE I 66 N VAL I 67 1555 1555 1.32 +LINK C VAL I 67 N MSE I 68 1555 1555 1.32 +LINK C MSE I 68 N PRO I 69 1555 1555 1.34 +LINK C GLY I 126 N MSE I 127 1555 1555 1.33 +LINK C MSE I 127 N ILE I 128 1555 1555 1.32 +LINK C VAL I 170 N MSE I 171 1555 1555 1.33 +LINK C MSE I 171 N MSE I 172 1555 1555 1.32 +LINK C MSE I 172 N HIS I 173 1555 1555 1.34 +LINK C GLU I 245 N MSE I 246 1555 1555 1.34 +LINK C MSE I 246 N ALA I 247 1555 1555 1.34 +LINK C MSE J 1 N ASN J 2 1555 1555 1.33 +LINK C CYS J 65 N MSE J 66 1555 1555 1.34 +LINK C MSE J 66 N VAL J 67 1555 1555 1.32 +LINK C VAL J 67 N MSE J 68 1555 1555 1.34 +LINK C MSE J 68 N PRO J 69 1555 1555 1.34 +LINK C GLY J 126 N MSE J 127 1555 1555 1.34 +LINK C MSE J 127 N ILE J 128 1555 1555 1.32 +LINK C VAL J 170 N MSE J 171 1555 1555 1.33 +LINK C MSE J 171 N MSE J 172 1555 1555 1.33 +LINK C MSE J 172 N HIS J 173 1555 1555 1.33 +LINK C GLU J 245 N MSE J 246 1555 1555 1.33 +LINK C MSE J 246 N ALA J 247 1555 1555 1.34 +LINK C MSE K 1 N ASN K 2 1555 1555 1.33 +LINK C CYS K 65 N MSE K 66 1555 1555 1.34 +LINK C MSE K 66 N VAL K 67 1555 1555 1.34 +LINK C VAL K 67 N MSE K 68 1555 1555 1.32 +LINK C MSE K 68 N PRO K 69 1555 1555 1.34 +LINK C GLY K 126 N MSE K 127 1555 1555 1.32 +LINK C MSE K 127 N ILE K 128 1555 1555 1.33 +LINK C VAL K 170 N MSE K 171 1555 1555 1.34 +LINK C MSE K 171 N MSE K 172 1555 1555 1.33 +LINK C MSE K 172 N HIS K 173 1555 1555 1.33 +LINK C GLU K 245 N MSE K 246 1555 1555 1.34 +LINK C MSE K 246 N ALA K 247 1555 1555 1.33 +LINK C MSE L 1 N ASN L 2 1555 1555 1.33 +LINK C CYS L 65 N MSE L 66 1555 1555 1.34 +LINK C MSE L 66 N VAL L 67 1555 1555 1.33 +LINK C VAL L 67 N MSE L 68 1555 1555 1.33 +LINK C MSE L 68 N PRO L 69 1555 1555 1.36 +LINK C GLY L 126 N MSE L 127 1555 1555 1.32 +LINK C MSE L 127 N ILE L 128 1555 1555 1.32 +LINK C VAL L 170 N MSE L 171 1555 1555 1.34 +LINK C MSE L 171 N MSE L 172 1555 1555 1.33 +LINK C MSE L 172 N HIS L 173 1555 1555 1.34 +LINK C GLU L 245 N MSE L 246 1555 1555 1.34 +LINK C MSE L 246 N ALA L 247 1555 1555 1.34 +LINK OE2 GLU G 167 ZN ZN G 302 1555 1555 1.85 +LINK OE2 GLU J 167 ZN ZN J 302 1555 1555 1.87 +LINK OE2 GLU A 167 ZN ZN A 302 1555 1555 1.89 +LINK OE2 GLU F 167 ZN ZN F 302 1555 1555 1.90 +LINK OD1 ASP F 42 ZN ZN F 302 1555 1555 1.91 +LINK OD1 ASP L 42 ZN ZN L 302 1555 1555 1.94 +LINK OE2 GLU E 167 ZN ZN E 302 1555 1555 1.94 +LINK OE2 GLU I 167 ZN ZN I 302 1555 1555 1.96 +LINK OD1 ASP J 42 ZN ZN J 302 1555 1555 1.97 +LINK OE2 GLU L 167 ZN ZN L 302 1555 1555 1.97 +LINK OD1 ASP H 42 ZN ZN H 302 1555 1555 1.98 +LINK OE2 GLU H 167 ZN ZN H 302 1555 1555 1.98 +LINK OE2 GLU K 167 ZN ZN K 302 1555 1555 1.99 +LINK OD1 ASP E 42 ZN ZN E 302 1555 1555 1.99 +LINK OD1 ASP K 42 ZN ZN K 302 1555 1555 1.99 +LINK OD1 ASP D 42 ZN ZN D 302 1555 1555 1.99 +LINK NE2 HIS E 33 ZN ZN E 302 1555 1555 1.99 +LINK OD1 ASP I 42 ZN ZN I 302 1555 1555 2.02 +LINK OD1 ASP A 42 ZN ZN A 302 1555 1555 2.02 +LINK NE2 HIS D 33 ZN ZN D 302 1555 1555 2.02 +LINK OD1 ASP B 42 ZN ZN B 302 1555 1555 2.02 +LINK NE2 HIS I 33 ZN ZN I 302 1555 1555 2.02 +LINK OD2 ASP B 42 ZN ZN B 301 1555 1555 2.03 +LINK NE2 HIS G 33 ZN ZN G 302 1555 1555 2.03 +LINK OD1 ASP G 42 ZN ZN G 302 1555 1555 2.04 +LINK NE2 HIS J 33 ZN ZN J 302 1555 1555 2.05 +LINK OE2 GLU D 167 ZN ZN D 302 1555 1555 2.05 +LINK OE2 GLU C 167 ZN ZN C 302 1555 1555 2.05 +LINK OD1 ASP C 42 ZN ZN C 302 1555 1555 2.06 +LINK NE2 HIS C 33 ZN ZN C 302 1555 1555 2.07 +LINK OD2 ASP F 42 ZN ZN F 301 1555 1555 2.07 +LINK NE2 HIS K 33 ZN ZN K 302 1555 1555 2.08 +LINK OD2 ASP I 42 ZN ZN I 301 1555 1555 2.10 +LINK OE1 GLU I 31 ZN ZN I 301 1555 1555 2.11 +LINK NE2 HIS H 33 ZN ZN H 302 1555 1555 2.11 +LINK OD2 ASP D 42 ZN ZN D 301 1555 1555 2.11 +LINK NE2 HIS B 33 ZN ZN B 302 1555 1555 2.12 +LINK OD2 ASP G 42 ZN ZN G 301 1555 1555 2.12 +LINK NE2 HIS L 33 ZN ZN L 302 1555 1555 2.12 +LINK OD2 ASP L 42 ZN ZN L 301 1555 1555 2.13 +LINK OE2 GLU B 167 ZN ZN B 302 1555 1555 2.14 +LINK OD2 ASP C 42 ZN ZN C 301 1555 1555 2.14 +LINK OD2 ASP E 42 ZN ZN E 301 1555 1555 2.15 +LINK OE1 GLU G 31 ZN ZN G 301 1555 1555 2.15 +LINK OE1 GLU J 31 ZN ZN J 301 1555 1555 2.17 +LINK OD2 ASP J 42 ZN ZN J 301 1555 1555 2.17 +LINK OD2 ASP K 42 ZN ZN K 301 1555 1555 2.17 +LINK NE2 HIS F 33 ZN ZN F 302 1555 1555 2.17 +LINK NE2 HIS A 33 ZN ZN A 302 1555 1555 2.18 +LINK OD2 ASP H 42 ZN ZN H 301 1555 1555 2.19 +LINK OD2 ASP A 42 ZN ZN A 301 1555 1555 2.21 +LINK OE1 GLU H 31 ZN ZN H 301 1555 1555 2.21 +LINK OE1 GLU A 31 ZN ZN A 301 1555 1555 2.22 +LINK OE1 GLU B 31 ZN ZN B 301 1555 1555 2.22 +LINK OE1 GLU C 31 ZN ZN C 301 1555 1555 2.23 +LINK OE1 GLU L 31 ZN ZN L 301 1555 1555 2.25 +LINK OE1 GLU F 31 ZN ZN F 301 1555 1555 2.25 +LINK OE1 GLU K 31 ZN ZN K 301 1555 1555 2.26 +LINK ND1 HIS F 119 ZN ZN F 301 1555 1555 2.31 +LINK ND1 HIS L 119 ZN ZN L 301 1555 1555 2.31 +LINK OE1 GLU D 31 ZN ZN D 301 1555 1555 2.31 +LINK ND1 HIS G 119 ZN ZN G 301 1555 1555 2.34 +LINK ND1 HIS B 119 ZN ZN B 301 1555 1555 2.34 +LINK OE1 GLU E 31 ZN ZN E 301 1555 1555 2.34 +LINK O ASP D 209 CA CA D 254 1555 1555 2.35 +LINK ND1 HIS J 119 ZN ZN J 301 1555 1555 2.37 +LINK ND1 HIS H 119 ZN ZN H 301 1555 1555 2.37 +LINK ND1 HIS C 119 ZN ZN C 301 1555 1555 2.38 +LINK ND1 HIS A 119 ZN ZN A 301 1555 1555 2.38 +LINK ND1 HIS E 119 ZN ZN E 301 1555 1555 2.38 +LINK ND1 HIS I 119 ZN ZN I 301 1555 1555 2.40 +LINK ND1 HIS K 119 ZN ZN K 301 1555 1555 2.42 +LINK ND1 HIS D 119 ZN ZN D 301 1555 1555 2.42 +LINK O ASP I 209 CA CA I 254 1555 1555 2.43 +LINK O ASP E 209 CA CA E 254 1555 1555 2.46 +LINK OE1 GLU B 167 ZN ZN B 302 1555 1555 2.68 +LINK ZN ZN E 302 O HOH E 445 1555 1555 1.74 +LINK ZN ZN I 302 O HOH I 462 1555 1555 1.83 +LINK ZN ZN K 302 O HOH K 549 1555 1555 1.83 +LINK ZN ZN J 302 O HOH J 270 1555 1555 1.86 +LINK ZN ZN H 302 O HOH H 268 1555 1555 1.94 +LINK ZN ZN B 302 O HOH B 262 1555 1555 1.94 +LINK ZN ZN D 302 O HOH D 289 1555 1555 1.98 +LINK ZN ZN G 302 O HOH G 380 1555 1555 2.00 +LINK ZN ZN L 302 O HOH L 453 1555 1555 2.00 +LINK ZN ZN A 302 O HOH A 775 1555 1555 2.01 +LINK ZN ZN C 302 O HOH C 332 1555 1555 2.05 +LINK ZN ZN F 302 O HOH F 560 1555 1555 2.09 +LINK CA CA D 254 O HOH D1119 1555 1555 2.24 +LINK CA CA C 254 O HOH C 873 1555 1555 2.28 +LINK CA CA E 254 O HOH E1957 1555 1555 2.29 +LINK CA CA J 254 O HOH J1881 1555 1555 2.32 +LINK CA CA I 255 O HOH I1208 1555 1555 2.36 +LINK CA CA D 255 O HOH D2150 1555 1555 2.37 +LINK ZN ZN G 301 O HOH G 380 1555 1555 2.38 +LINK ZN ZN C 301 O HOH C 332 1555 1555 2.40 +LINK ZN ZN I 301 O HOH I 462 1555 1555 2.41 +LINK CA CA A 254 O HOH A1795 1555 1555 2.42 +LINK ZN ZN D 301 O HOH D 289 1555 1555 2.43 +LINK CA CA D 254 O HOH D1188 1555 1555 2.45 +LINK CA CA I 254 O HOH I1420 1555 1555 2.46 +LINK ZN ZN F 301 O HOH F 560 1555 1555 2.47 +LINK ZN ZN E 301 O HOH E 445 1555 1555 2.48 +LINK ZN ZN J 301 O HOH J 270 1555 1555 2.48 +LINK CA CA D 254 O HOH D1752 1555 1555 2.50 +LINK CA CA E 255 O HOH E1249 1555 1555 2.50 +LINK CA CA D 254 O HOH D1204 1555 1555 2.50 +LINK CA CA E 255 O HOH E 999 1555 1555 2.51 +LINK ZN ZN A 301 O HOH A 775 1555 1555 2.51 +LINK CA CA J 254 O HOH J 605 1555 1555 2.52 +LINK ZN ZN D 301 O HOH D 292 1555 1555 2.52 +LINK CA CA E 255 O HOH D 283 1555 1555 2.52 +LINK ZN ZN K 301 O HOH K 524 1555 1555 2.53 +LINK CA CA I 254 O HOH I 698 1555 1555 2.54 +LINK CA CA D 255 O HOH E2143 1555 1555 2.55 +LINK ZN ZN K 301 O HOH K 549 1555 1555 2.56 +LINK ZN ZN H 301 O HOH H 268 1555 1555 2.56 +LINK CA CA A 254 O HOH F1824 1555 1555 2.56 +LINK CA CA I 254 O HOH I1560 1555 1555 2.57 +LINK CA CA I 254 O HOH I 506 1555 1555 2.58 +LINK CA CA L 254 O HOH L1622 1555 1555 2.58 +LINK ZN ZN B 301 O HOH B 262 1555 1555 2.58 +LINK ZN ZN I 301 O HOH I 508 1555 1555 2.60 +LINK ZN ZN G 301 O HOH G 613 1555 1555 2.61 +LINK ZN ZN L 301 O HOH L 453 1555 1555 2.61 +LINK CA CA G 254 O HOH G1037 1555 1555 2.61 +LINK CA CA F 254 O HOH F 581 1555 1555 2.63 +LINK CA CA I 254 O HOH I1055 1555 1555 2.63 +LINK CA CA G 254 O HOH L 377 1555 1555 2.64 +LINK CA CA L 254 O HOH L 321 1555 1555 2.64 +LINK CA CA C 254 O HOH C1850 1555 1555 2.64 +LINK CA CA E 255 O HOH E1756 1555 1555 2.65 +LINK CA CA I 255 O HOH I2104 1555 1555 2.65 +LINK ZN ZN L 301 O HOH L1225 1555 1555 2.66 +LINK CA CA G 254 O HOH L1822 1555 1555 2.67 +LINK CA CA I 255 O HOH I 260 1555 1555 2.67 +LINK ZN ZN H 301 O HOH H1257 1555 1555 2.67 +LINK CA CA E 254 O HOH E 887 1555 1555 2.68 +LINK ZN ZN C 301 O HOH C 478 1555 1555 2.68 +LINK CA CA J 254 O HOH J1667 1555 1555 2.68 +LINK CA CA G 254 O HOH G1326 1555 1555 2.68 +LINK CA CA D 254 O HOH D1232 1555 1555 2.68 +LINK CA CA D 255 O HOH E 270 1555 1555 2.68 +LINK ZN ZN J 301 O HOH J1099 1555 1555 2.68 +LINK ZN ZN F 301 O HOH F1337 1555 1555 2.70 +LINK CA CA E 254 O HOH E1669 1555 1555 2.72 +LINK CA CA G 254 O HOH L1567 1555 1555 2.77 +LINK CA CA A 254 O HOH A1920 1555 1555 2.78 +LINK CA CA D 255 O HOH D1809 1555 1555 2.78 +LINK CA CA C 254 O HOH C1942 1555 1555 2.78 +LINK CA CA G 254 O HOH G2098 1555 1555 2.78 +LINK CA CA L 254 O HOH L1472 1555 1555 2.79 +LINK CA CA J 254 O HOH J1938 1555 1555 2.79 +LINK CA CA A 254 O HOH A 434 1555 1555 2.79 +LINK CA CA C 254 O HOH C 290 1555 1555 2.80 +LINK CA CA J 254 O HOH J1568 1555 1555 2.80 +LINK CA CA E 255 O HOH D1736 1555 1555 2.81 +LINK CA CA C 254 O HOH C 597 1555 1555 2.81 +LINK CA CA I 254 O HOH I 477 1555 1555 2.82 +LINK CA CA J 254 O HOH J 291 1555 1555 2.82 +LINK CA CA E 254 O HOH E1371 1555 1555 2.87 +LINK CA CA D 255 O HOH D1045 1555 1555 2.88 +LINK CA CA E 255 O HOH E1533 1555 1555 2.89 +LINK CA CA G 254 O HOH G2063 1555 1555 2.96 +LINK CA CA I 255 O HOH I1476 1555 1555 3.00 +SITE 1 AC1 6 GLU A 31 ASP A 42 HIS A 119 ZN A 302 +SITE 2 AC1 6 HOH A 454 HOH A 775 +SITE 1 AC2 5 HIS A 33 ASP A 42 GLU A 167 ZN A 301 +SITE 2 AC2 5 HOH A 775 +SITE 1 AC3 4 HOH A 434 HOH A1795 HOH A1920 HOH F1824 +SITE 1 AC4 2 ASN A 77 ARG A 206 +SITE 1 AC5 6 GLU B 31 ASP B 42 HIS B 119 HOH B 262 +SITE 2 AC5 6 ZN B 302 HOH B1005 +SITE 1 AC6 5 HIS B 33 ASP B 42 GLU B 167 HOH B 262 +SITE 2 AC6 5 ZN B 301 +SITE 1 AC7 5 THR A 30 PRO A 72 LEU B 25 MSE B 68 +SITE 2 AC7 5 PRO B 69 +SITE 1 AC8 2 ASN B 77 ARG B 206 +SITE 1 AC9 6 GLU C 31 ASP C 42 HIS C 119 ZN C 302 +SITE 2 AC9 6 HOH C 332 HOH C 478 +SITE 1 BC1 5 HIS C 33 ASP C 42 GLU C 167 ZN C 301 +SITE 2 BC1 5 HOH C 332 +SITE 1 BC2 6 HOH B2105 HOH C 290 HOH C 597 HOH C 873 +SITE 2 BC2 6 HOH C1850 HOH C1942 +SITE 1 BC3 5 GLY C 79 GLN C 80 ARG C 81 GLU C 82 +SITE 2 BC3 5 HOH C1352 +SITE 1 BC4 6 LEU C 25 MSE C 68 PRO C 69 THR D 30 +SITE 2 BC4 6 PRO D 72 PHE D 73 +SITE 1 BC5 2 ASN C 77 ARG C 206 +SITE 1 BC6 7 GLU D 31 ASP D 42 HIS D 119 HOH D 289 +SITE 2 BC6 7 HOH D 292 HOH D 295 ZN D 302 +SITE 1 BC7 5 HIS D 33 ASP D 42 GLU D 167 HOH D 289 +SITE 2 BC7 5 ZN D 301 +SITE 1 BC8 6 ASP D 209 HOH D1119 HOH D1188 HOH D1204 +SITE 2 BC8 6 HOH D1232 HOH D1752 +SITE 1 BC9 6 HOH D1045 HOH D1809 HOH D2150 HOH E 270 +SITE 2 BC9 6 HOH E1781 HOH E2143 +SITE 1 CC1 4 SER D 103 HIS D 106 VAL D 107 TYR D 135 +SITE 1 CC2 5 VAL C 107 GLY D 79 ARG D 81 GLU D 82 +SITE 2 CC2 5 HOH D1178 +SITE 1 CC3 2 ASN D 77 ARG D 206 +SITE 1 CC4 7 GLU E 31 ASP E 42 HIS E 119 ZN E 302 +SITE 2 CC4 7 HOH E 333 HOH E 445 HOH E1163 +SITE 1 CC5 5 HIS E 33 ASP E 42 GLU E 167 ZN E 301 +SITE 2 CC5 5 HOH E 445 +SITE 1 CC6 6 ASP E 209 HOH E 887 HOH E1371 HOH E1525 +SITE 2 CC6 6 HOH E1669 HOH E1957 +SITE 1 CC7 6 HOH D 283 HOH D1736 HOH E 999 HOH E1249 +SITE 2 CC7 6 HOH E1533 HOH E1756 +SITE 1 CC8 5 LEU E 25 MSE E 68 PRO E 69 THR F 30 +SITE 2 CC8 5 PHE F 73 +SITE 1 CC9 4 GLY E 79 ARG E 81 GLU E 82 HOH E 841 +SITE 1 DC1 2 ASN E 77 ARG E 206 +SITE 1 DC2 6 GLU F 31 ASP F 42 HIS F 119 ZN F 302 +SITE 2 DC2 6 HOH F 560 HOH F1337 +SITE 1 DC3 5 HIS F 33 ASP F 42 GLU F 167 ZN F 301 +SITE 2 DC3 5 HOH F 560 +SITE 1 DC4 2 HOH F 581 HOH F 883 +SITE 1 DC5 2 ASN F 77 ARG F 206 +SITE 1 DC6 7 GLU G 31 ASP G 42 HIS G 119 ZN G 302 +SITE 2 DC6 7 HOH G 380 HOH G 613 HOH G 754 +SITE 1 DC7 5 HIS G 33 ASP G 42 GLU G 167 ZN G 301 +SITE 2 DC7 5 HOH G 380 +SITE 1 DC8 7 HOH G1037 HOH G1326 HOH G2063 HOH G2098 +SITE 2 DC8 7 HOH L 377 HOH L1567 HOH L1822 +SITE 1 DC9 6 LEU G 25 MSE G 68 PRO G 69 THR H 30 +SITE 2 DC9 6 PRO H 72 PHE H 73 +SITE 1 EC1 2 ASN G 77 ARG G 206 +SITE 1 EC2 7 GLU H 31 ASP H 42 HIS H 119 HOH H 268 +SITE 2 EC2 7 ZN H 302 HOH H 486 HOH H1257 +SITE 1 EC3 5 HIS H 33 ASP H 42 GLU H 167 HOH H 268 +SITE 2 EC3 5 ZN H 301 +SITE 1 EC4 2 ASN H 77 ARG H 206 +SITE 1 EC5 6 GLU I 31 ASP I 42 HIS I 119 ZN I 302 +SITE 2 EC5 6 HOH I 462 HOH I 508 +SITE 1 EC6 5 HIS I 33 ASP I 42 GLU I 167 ZN I 301 +SITE 2 EC6 5 HOH I 462 +SITE 1 EC7 7 ASP I 209 HOH I 477 HOH I 506 HOH I 698 +SITE 2 EC7 7 HOH I1055 HOH I1420 HOH I1560 +SITE 1 EC8 5 HOH I 260 HOH I1208 HOH I1476 HOH I1981 +SITE 2 EC8 5 HOH I2104 +SITE 1 EC9 2 ASN I 77 ARG I 206 +SITE 1 FC1 6 GLU J 31 ASP J 42 HIS J 119 HOH J 270 +SITE 2 FC1 6 ZN J 302 HOH J1099 +SITE 1 FC2 5 HIS J 33 ASP J 42 GLU J 167 HOH J 270 +SITE 2 FC2 5 ZN J 301 +SITE 1 FC3 6 HOH J 291 HOH J 605 HOH J1568 HOH J1667 +SITE 2 FC3 6 HOH J1881 HOH J1938 +SITE 1 FC4 5 THR I 30 PHE I 73 LEU J 25 PRO J 69 +SITE 2 FC4 5 ILE J 101 +SITE 1 FC5 2 ASN J 77 ARG J 206 +SITE 1 FC6 6 GLU K 31 ASP K 42 HIS K 119 ZN K 302 +SITE 2 FC6 6 HOH K 524 HOH K 549 +SITE 1 FC7 5 HIS K 33 ASP K 42 GLU K 167 ZN K 301 +SITE 2 FC7 5 HOH K 549 +SITE 1 FC8 6 LEU K 25 MSE K 68 PRO K 69 THR L 30 +SITE 2 FC8 6 PRO L 72 PHE L 73 +SITE 1 FC9 3 GLY K 79 ARG K 81 GLU K 82 +SITE 1 GC1 2 ASN K 77 ARG K 206 +SITE 1 GC2 6 GLU L 31 ASP L 42 HIS L 119 ZN L 302 +SITE 2 GC2 6 HOH L 453 HOH L1225 +SITE 1 GC3 5 HIS L 33 ASP L 42 GLU L 167 ZN L 301 +SITE 2 GC3 5 HOH L 453 +SITE 1 GC4 3 HOH L 321 HOH L1472 HOH L1622 +SITE 1 GC5 5 THR K 30 PHE K 73 LEU L 25 MSE L 68 +SITE 2 GC5 5 PRO L 69 +SITE 1 GC6 2 ASN L 77 ARG L 206 +CRYST1 55.906 156.790 170.161 90.00 95.29 90.00 P 1 21 1 24 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.017887 0.000000 0.001657 0.00000 +SCALE2 0.000000 0.006378 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.005902 0.00000 +HETATM 1 N MSE A 1 16.403 61.904 163.547 1.00 39.01 N +HETATM 2 CA MSE A 1 15.876 60.505 163.727 1.00 40.29 C +HETATM 3 C MSE A 1 14.484 60.412 163.119 1.00 37.48 C +HETATM 4 O MSE A 1 13.626 61.219 163.479 1.00 37.77 O +HETATM 5 CB MSE A 1 15.825 60.115 165.218 1.00 40.08 C +HETATM 6 CG MSE A 1 14.944 58.881 165.576 1.00 42.74 C +HETATM 7 SE MSE A 1 15.045 58.299 167.534 0.75 49.95 SE +HETATM 8 CE MSE A 1 17.109 58.643 167.656 1.00 42.62 C +ATOM 9 N ASN A 2 14.276 59.451 162.200 1.00 33.77 N +ATOM 10 CA ASN A 2 12.970 59.244 161.535 1.00 30.97 C +ATOM 11 C ASN A 2 12.546 57.775 161.576 1.00 29.91 C +ATOM 12 O ASN A 2 12.966 56.955 160.745 1.00 27.69 O +ATOM 13 CB ASN A 2 12.992 59.785 160.099 1.00 30.22 C +ATOM 14 CG ASN A 2 11.600 59.899 159.481 1.00 28.41 C +ATOM 15 OD1 ASN A 2 10.693 59.139 159.799 1.00 30.60 O +ATOM 16 ND2 ASN A 2 11.438 60.853 158.573 1.00 25.75 N +ATOM 17 N LYS A 3 11.689 57.456 162.544 1.00 28.71 N +ATOM 18 CA LYS A 3 11.172 56.107 162.714 1.00 29.87 C +ATOM 19 C LYS A 3 10.232 55.674 161.601 1.00 28.51 C +ATOM 20 O LYS A 3 10.036 54.501 161.404 1.00 27.77 O +ATOM 21 CB LYS A 3 10.472 55.944 164.072 1.00 29.71 C +ATOM 22 CG LYS A 3 11.386 56.162 165.303 1.00 32.76 C +ATOM 23 CD LYS A 3 10.748 55.573 166.586 1.00 33.12 C +ATOM 24 CE LYS A 3 11.685 55.601 167.805 1.00 38.46 C +ATOM 25 NZ LYS A 3 11.026 54.961 169.007 1.00 32.88 N +ATOM 26 N GLU A 4 9.673 56.622 160.854 1.00 27.99 N +ATOM 27 CA GLU A 4 8.733 56.302 159.775 1.00 27.66 C +ATOM 28 C GLU A 4 9.407 55.617 158.554 1.00 23.87 C +ATOM 29 O GLU A 4 8.809 54.746 157.909 1.00 24.32 O +ATOM 30 CB GLU A 4 7.969 57.563 159.369 1.00 28.29 C +ATOM 31 CG GLU A 4 6.860 57.306 158.384 1.00 30.90 C +ATOM 32 CD GLU A 4 5.910 58.470 158.222 1.00 30.16 C +ATOM 33 OE1 GLU A 4 6.200 59.589 158.696 1.00 40.00 O +ATOM 34 OE2 GLU A 4 4.866 58.255 157.595 1.00 31.43 O +ATOM 35 N VAL A 5 10.647 55.994 158.261 1.00 21.83 N +ATOM 36 CA VAL A 5 11.311 55.539 157.045 1.00 20.73 C +ATOM 37 C VAL A 5 12.699 54.919 157.277 1.00 20.71 C +ATOM 38 O VAL A 5 13.330 54.472 156.325 1.00 20.54 O +ATOM 39 CB VAL A 5 11.446 56.707 156.022 1.00 20.70 C +ATOM 40 CG1 VAL A 5 10.079 57.281 155.615 1.00 19.29 C +ATOM 41 CG2 VAL A 5 12.375 57.782 156.557 1.00 21.64 C +ATOM 42 N ASP A 6 13.176 54.902 158.521 1.00 19.82 N +ATOM 43 CA ASP A 6 14.483 54.362 158.862 1.00 19.62 C +ATOM 44 C ASP A 6 14.369 53.236 159.899 1.00 19.90 C +ATOM 45 O ASP A 6 14.207 53.474 161.091 1.00 20.14 O +ATOM 46 CB ASP A 6 15.375 55.510 159.358 1.00 20.55 C +ATOM 47 CG ASP A 6 16.775 55.083 159.674 1.00 19.78 C +ATOM 48 OD1 ASP A 6 17.137 53.922 159.417 1.00 26.20 O +ATOM 49 OD2 ASP A 6 17.532 55.930 160.178 1.00 24.64 O +ATOM 50 N LEU A 7 14.469 51.989 159.439 1.00 19.46 N +ATOM 51 CA LEU A 7 14.311 50.825 160.332 1.00 19.90 C +ATOM 52 C LEU A 7 15.413 50.709 161.397 1.00 20.47 C +ATOM 53 O LEU A 7 15.199 50.091 162.417 1.00 21.79 O +ATOM 54 CB LEU A 7 14.202 49.484 159.565 1.00 21.15 C +ATOM 55 CG LEU A 7 13.383 48.382 160.285 1.00 15.74 C +ATOM 56 CD1 LEU A 7 11.918 48.639 160.141 1.00 12.91 C +ATOM 57 CD2 LEU A 7 13.704 47.013 159.780 1.00 17.32 C +ATOM 58 N SER A 8 16.559 51.329 161.175 1.00 20.63 N +ATOM 59 CA SER A 8 17.633 51.313 162.125 1.00 21.82 C +ATOM 60 C SER A 8 17.266 51.967 163.457 1.00 22.85 C +ATOM 61 O SER A 8 17.837 51.604 164.490 1.00 23.37 O +ATOM 62 CB SER A 8 18.872 52.002 161.548 1.00 21.54 C +ATOM 63 OG SER A 8 19.471 51.150 160.593 1.00 25.74 O +ATOM 64 N VAL A 9 16.307 52.899 163.442 1.00 22.56 N +ATOM 65 CA VAL A 9 15.861 53.560 164.672 1.00 22.69 C +ATOM 66 C VAL A 9 14.385 53.306 164.995 1.00 23.86 C +ATOM 67 O VAL A 9 13.907 53.782 166.010 1.00 27.16 O +ATOM 68 CB VAL A 9 16.111 55.094 164.633 1.00 22.92 C +ATOM 69 CG1 VAL A 9 17.633 55.426 164.555 1.00 20.02 C +ATOM 70 CG2 VAL A 9 15.318 55.731 163.504 1.00 22.24 C +ATOM 71 N SER A 10 13.680 52.555 164.148 1.00 22.76 N +ATOM 72 CA SER A 10 12.228 52.366 164.258 1.00 22.02 C +ATOM 73 C SER A 10 11.842 51.154 165.154 1.00 23.10 C +ATOM 74 O SER A 10 12.701 50.354 165.582 1.00 22.06 O +ATOM 75 CB SER A 10 11.594 52.205 162.859 1.00 23.41 C +ATOM 76 OG SER A 10 10.159 52.230 162.882 1.00 27.09 O +ATOM 77 N CYS A 11 10.530 51.062 165.410 1.00 23.00 N +ATOM 78 CA CYS A 11 9.912 50.027 166.221 1.00 22.86 C +ATOM 79 C CYS A 11 8.561 49.707 165.620 1.00 23.13 C +ATOM 80 O CYS A 11 8.030 50.513 164.863 1.00 23.75 O +ATOM 81 CB CYS A 11 9.705 50.512 167.654 1.00 23.13 C +ATOM 82 SG CYS A 11 8.665 51.984 167.805 1.00 26.16 S +ATOM 83 N LEU A 12 8.007 48.542 165.978 1.00 23.34 N +ATOM 84 CA LEU A 12 6.742 48.046 165.428 1.00 23.71 C +ATOM 85 C LEU A 12 5.581 48.987 165.651 1.00 25.58 C +ATOM 86 O LEU A 12 4.711 49.114 164.780 1.00 26.21 O +ATOM 87 CB LEU A 12 6.386 46.647 165.985 1.00 23.07 C +ATOM 88 CG LEU A 12 5.119 45.966 165.434 1.00 24.17 C +ATOM 89 CD1 LEU A 12 5.248 45.676 163.907 1.00 22.24 C +ATOM 90 CD2 LEU A 12 4.689 44.680 166.185 1.00 21.45 C +ATOM 91 N GLY A 13 5.541 49.643 166.803 1.00 26.04 N +ATOM 92 CA GLY A 13 4.463 50.586 167.061 1.00 26.89 C +ATOM 93 C GLY A 13 4.376 51.737 166.069 1.00 28.19 C +ATOM 94 O GLY A 13 3.287 52.214 165.771 1.00 28.33 O +ATOM 95 N LYS A 14 5.517 52.199 165.566 1.00 28.60 N +ATOM 96 CA LYS A 14 5.532 53.310 164.617 1.00 30.35 C +ATOM 97 C LYS A 14 5.034 52.856 163.241 1.00 30.94 C +ATOM 98 O LYS A 14 4.308 53.581 162.587 1.00 35.37 O +ATOM 99 CB LYS A 14 6.931 53.927 164.515 1.00 30.08 C +ATOM 100 N VAL A 15 5.363 51.631 162.841 1.00 29.54 N +ATOM 101 CA VAL A 15 5.180 51.217 161.465 1.00 28.33 C +ATOM 102 C VAL A 15 3.934 50.385 161.220 1.00 29.41 C +ATOM 103 O VAL A 15 3.493 50.284 160.080 1.00 27.31 O +ATOM 104 CB VAL A 15 6.439 50.468 160.917 1.00 28.42 C +ATOM 105 CG1 VAL A 15 7.638 51.319 161.097 1.00 25.93 C +ATOM 106 CG2 VAL A 15 6.628 49.087 161.561 1.00 25.09 C +ATOM 107 N LYS A 16 3.344 49.794 162.259 1.00 30.99 N +ATOM 108 CA LYS A 16 2.373 48.727 162.012 1.00 34.68 C +ATOM 109 C LYS A 16 1.073 49.175 161.336 1.00 35.01 C +ATOM 110 O LYS A 16 0.448 48.384 160.617 1.00 35.21 O +ATOM 111 CB LYS A 16 2.089 47.905 163.279 1.00 35.91 C +ATOM 112 CG LYS A 16 1.350 48.604 164.377 1.00 36.50 C +ATOM 113 CD LYS A 16 0.858 47.612 165.426 1.00 40.36 C +ATOM 114 CE LYS A 16 -0.216 48.279 166.313 1.00 51.28 C +ATOM 115 NZ LYS A 16 0.125 49.688 166.764 1.00 55.56 N +ATOM 116 N GLU A 17 0.675 50.428 161.535 1.00 35.94 N +ATOM 117 CA GLU A 17 -0.549 50.931 160.903 1.00 39.67 C +ATOM 118 C GLU A 17 -0.305 51.719 159.606 1.00 38.40 C +ATOM 119 O GLU A 17 -1.243 52.294 159.043 1.00 39.15 O +ATOM 120 CB GLU A 17 -1.364 51.783 161.898 1.00 41.62 C +ATOM 121 CG GLU A 17 -1.853 51.028 163.169 1.00 48.20 C +ATOM 122 CD GLU A 17 -2.733 49.805 162.879 1.00 55.01 C +ATOM 123 OE1 GLU A 17 -3.469 49.784 161.862 1.00 58.69 O +ATOM 124 OE2 GLU A 17 -2.688 48.860 163.696 1.00 59.88 O +ATOM 125 N LEU A 18 0.937 51.753 159.128 1.00 35.17 N +ATOM 126 CA LEU A 18 1.258 52.522 157.927 1.00 32.89 C +ATOM 127 C LEU A 18 1.377 51.601 156.710 1.00 31.68 C +ATOM 128 O LEU A 18 1.755 50.440 156.831 1.00 32.19 O +ATOM 129 CB LEU A 18 2.547 53.312 158.128 1.00 30.66 C +ATOM 130 CG LEU A 18 2.545 54.314 159.270 1.00 29.82 C +ATOM 131 CD1 LEU A 18 3.835 55.061 159.312 1.00 23.30 C +ATOM 132 CD2 LEU A 18 1.401 55.296 159.131 1.00 30.76 C +ATOM 133 N LYS A 19 1.034 52.120 155.541 1.00 30.45 N +ATOM 134 CA LYS A 19 1.342 51.437 154.310 1.00 29.50 C +ATOM 135 C LYS A 19 2.698 51.864 153.767 1.00 26.77 C +ATOM 136 O LYS A 19 2.997 53.045 153.680 1.00 23.93 O +ATOM 137 CB LYS A 19 0.292 51.686 153.245 1.00 30.68 C +ATOM 138 CG LYS A 19 0.410 50.724 152.077 1.00 39.31 C +ATOM 139 CD LYS A 19 -0.307 51.262 150.880 1.00 48.57 C +ATOM 140 CE LYS A 19 -0.298 50.269 149.740 1.00 54.46 C +ATOM 141 NZ LYS A 19 -1.079 50.865 148.609 1.00 56.41 N +ATOM 142 N TYR A 20 3.484 50.879 153.353 1.00 25.27 N +ATOM 143 CA TYR A 20 4.769 51.106 152.688 1.00 24.09 C +ATOM 144 C TYR A 20 4.705 50.590 151.260 1.00 23.86 C +ATOM 145 O TYR A 20 4.241 49.485 151.008 1.00 25.45 O +ATOM 146 CB TYR A 20 5.892 50.424 153.455 1.00 21.98 C +ATOM 147 CG TYR A 20 6.142 51.072 154.767 1.00 22.12 C +ATOM 148 CD1 TYR A 20 5.341 50.785 155.873 1.00 19.91 C +ATOM 149 CD2 TYR A 20 7.170 51.989 154.910 1.00 17.67 C +ATOM 150 CE1 TYR A 20 5.553 51.422 157.076 1.00 22.38 C +ATOM 151 CE2 TYR A 20 7.403 52.616 156.104 1.00 17.58 C +ATOM 152 CZ TYR A 20 6.591 52.341 157.202 1.00 19.41 C +ATOM 153 OH TYR A 20 6.838 52.997 158.417 1.00 18.91 O +ATOM 154 N ASP A 21 5.187 51.418 150.344 1.00 24.71 N +ATOM 155 CA ASP A 21 5.073 51.204 148.911 1.00 26.10 C +ATOM 156 C ASP A 21 6.355 50.570 148.324 1.00 26.20 C +ATOM 157 O ASP A 21 6.262 49.720 147.452 1.00 27.88 O +ATOM 158 CB ASP A 21 4.772 52.548 148.216 1.00 26.75 C +ATOM 159 CG ASP A 21 3.436 53.145 148.649 1.00 31.98 C +ATOM 160 OD1 ASP A 21 2.410 52.490 148.379 1.00 40.10 O +ATOM 161 OD2 ASP A 21 3.398 54.238 149.283 1.00 34.99 O +ATOM 162 N VAL A 22 7.529 50.998 148.796 1.00 24.10 N +ATOM 163 CA VAL A 22 8.800 50.497 148.311 1.00 22.82 C +ATOM 164 C VAL A 22 9.742 50.238 149.489 1.00 21.77 C +ATOM 165 O VAL A 22 9.775 51.005 150.440 1.00 20.46 O +ATOM 166 CB VAL A 22 9.460 51.502 147.334 1.00 24.26 C +ATOM 167 CG1 VAL A 22 10.833 50.977 146.821 1.00 20.73 C +ATOM 168 CG2 VAL A 22 8.508 51.832 146.176 1.00 20.56 C +ATOM 169 N ILE A 23 10.501 49.152 149.419 1.00 19.60 N +ATOM 170 CA ILE A 23 11.508 48.865 150.407 1.00 18.38 C +ATOM 171 C ILE A 23 12.847 49.211 149.765 1.00 17.96 C +ATOM 172 O ILE A 23 13.024 48.996 148.576 1.00 18.42 O +ATOM 173 CB ILE A 23 11.525 47.364 150.852 1.00 18.34 C +ATOM 174 CG1 ILE A 23 10.135 46.853 151.247 1.00 19.88 C +ATOM 175 CG2 ILE A 23 12.576 47.131 151.984 1.00 16.42 C +ATOM 176 CD1 ILE A 23 9.509 47.474 152.472 1.00 18.11 C +ATOM 177 N ILE A 24 13.763 49.739 150.568 1.00 17.28 N +ATOM 178 CA AILE A 24 15.093 50.127 150.123 0.50 17.86 C +ATOM 179 CA BILE A 24 15.100 50.098 150.110 0.50 18.02 C +ATOM 180 C ILE A 24 16.097 49.380 150.985 1.00 16.98 C +ATOM 181 O ILE A 24 16.034 49.471 152.204 1.00 17.73 O +ATOM 182 CB AILE A 24 15.348 51.677 150.285 0.50 18.85 C +ATOM 183 CB BILE A 24 15.388 51.632 150.203 0.50 18.80 C +ATOM 184 CG1AILE A 24 14.081 52.505 149.964 0.50 17.32 C +ATOM 185 CG1BILE A 24 14.286 52.443 149.505 0.50 18.77 C +ATOM 186 CG2AILE A 24 16.533 52.114 149.448 0.50 12.85 C +ATOM 187 CG2BILE A 24 16.758 51.948 149.622 0.50 14.53 C +ATOM 188 CD1AILE A 24 13.731 52.583 148.485 0.50 21.86 C +ATOM 189 CD1BILE A 24 14.021 53.783 150.148 0.50 16.47 C +ATOM 190 N LEU A 25 17.005 48.657 150.345 1.00 17.07 N +ATOM 191 CA LEU A 25 18.033 47.896 150.997 1.00 17.58 C +ATOM 192 C LEU A 25 19.405 48.524 150.688 1.00 17.93 C +ATOM 193 O LEU A 25 19.958 48.351 149.596 1.00 18.78 O +ATOM 194 CB LEU A 25 17.999 46.423 150.552 1.00 17.04 C +ATOM 195 CG LEU A 25 19.012 45.477 151.200 1.00 18.04 C +ATOM 196 CD1 LEU A 25 18.749 45.367 152.731 1.00 14.49 C +ATOM 197 CD2 LEU A 25 18.975 44.116 150.492 1.00 15.63 C +ATOM 198 N PRO A 26 19.964 49.257 151.662 1.00 18.92 N +ATOM 199 CA PRO A 26 21.332 49.762 151.499 1.00 18.36 C +ATOM 200 C PRO A 26 22.283 48.603 151.680 1.00 18.53 C +ATOM 201 O PRO A 26 22.182 47.898 152.662 1.00 18.73 O +ATOM 202 CB PRO A 26 21.496 50.724 152.671 1.00 16.80 C +ATOM 203 CG PRO A 26 20.095 50.952 153.222 1.00 17.48 C +ATOM 204 CD PRO A 26 19.391 49.666 152.963 1.00 20.45 C +ATOM 205 N TRP A 27 23.209 48.429 150.760 1.00 18.92 N +ATOM 206 CA TRP A 27 24.187 47.326 150.816 1.00 17.50 C +ATOM 207 C TRP A 27 25.581 47.886 150.618 1.00 15.96 C +ATOM 208 O TRP A 27 25.884 48.444 149.586 1.00 17.01 O +ATOM 209 CB TRP A 27 23.847 46.295 149.736 1.00 17.72 C +ATOM 210 CG TRP A 27 24.415 44.895 149.970 1.00 15.59 C +ATOM 211 CD1 TRP A 27 25.696 44.564 150.246 1.00 13.43 C +ATOM 212 CD2 TRP A 27 23.685 43.682 149.927 1.00 16.06 C +ATOM 213 NE1 TRP A 27 25.817 43.213 150.397 1.00 15.82 N +ATOM 214 CE2 TRP A 27 24.598 42.636 150.169 1.00 15.13 C +ATOM 215 CE3 TRP A 27 22.338 43.360 149.672 1.00 19.45 C +ATOM 216 CZ2 TRP A 27 24.204 41.283 150.208 1.00 19.34 C +ATOM 217 CZ3 TRP A 27 21.947 41.995 149.727 1.00 15.99 C +ATOM 218 CH2 TRP A 27 22.876 40.991 149.991 1.00 14.95 C +ATOM 219 N GLY A 28 26.416 47.720 151.625 1.00 16.05 N +ATOM 220 CA GLY A 28 27.734 48.242 151.655 1.00 16.53 C +ATOM 221 C GLY A 28 28.808 47.176 151.763 1.00 16.87 C +ATOM 222 O GLY A 28 28.811 46.201 151.023 1.00 16.38 O +ATOM 223 N ALA A 29 29.734 47.412 152.684 1.00 17.32 N +ATOM 224 CA ALA A 29 30.938 46.639 152.828 1.00 16.83 C +ATOM 225 C ALA A 29 31.613 47.067 154.136 1.00 17.76 C +ATOM 226 O ALA A 29 31.395 48.198 154.617 1.00 18.44 O +ATOM 227 CB ALA A 29 31.859 46.858 151.621 1.00 16.12 C +ATOM 228 N THR A 30 32.398 46.154 154.723 1.00 18.71 N +ATOM 229 CA THR A 30 33.303 46.461 155.857 1.00 18.45 C +ATOM 230 C THR A 30 34.741 46.441 155.297 1.00 20.16 C +ATOM 231 O THR A 30 35.295 45.364 155.012 1.00 19.24 O +ATOM 232 CB THR A 30 33.134 45.408 156.961 1.00 20.44 C +ATOM 233 OG1 THR A 30 31.744 45.192 157.193 1.00 18.63 O +ATOM 234 CG2 THR A 30 33.862 45.773 158.271 1.00 16.49 C +ATOM 235 N GLU A 31 35.321 47.629 155.130 1.00 20.05 N +ATOM 236 CA GLU A 31 36.411 47.838 154.206 1.00 20.89 C +ATOM 237 C GLU A 31 37.196 49.101 154.566 1.00 21.06 C +ATOM 238 O GLU A 31 36.616 50.159 154.678 1.00 21.30 O +ATOM 239 CB GLU A 31 35.848 48.040 152.775 1.00 18.87 C +ATOM 240 CG GLU A 31 36.871 48.192 151.649 1.00 22.00 C +ATOM 241 CD GLU A 31 36.223 48.579 150.337 1.00 23.70 C +ATOM 242 OE1 GLU A 31 35.187 49.249 150.396 1.00 23.15 O +ATOM 243 OE2 GLU A 31 36.731 48.245 149.237 1.00 27.81 O +ATOM 244 N PRO A 32 38.519 48.988 154.696 1.00 22.67 N +ATOM 245 CA PRO A 32 39.407 50.161 154.804 1.00 22.34 C +ATOM 246 C PRO A 32 39.202 51.198 153.680 1.00 21.68 C +ATOM 247 O PRO A 32 39.189 50.850 152.490 1.00 20.72 O +ATOM 248 CB PRO A 32 40.805 49.541 154.692 1.00 24.21 C +ATOM 249 CG PRO A 32 40.659 48.126 155.098 1.00 20.51 C +ATOM 250 CD PRO A 32 39.260 47.710 154.795 1.00 22.99 C +ATOM 251 N HIS A 33 39.057 52.461 154.057 1.00 20.73 N +ATOM 252 CA HIS A 33 38.951 53.577 153.108 1.00 19.89 C +ATOM 253 C HIS A 33 40.085 54.617 153.301 1.00 20.83 C +ATOM 254 O HIS A 33 39.888 55.636 153.988 1.00 18.87 O +ATOM 255 CB HIS A 33 37.607 54.259 153.342 1.00 19.02 C +ATOM 256 CG HIS A 33 36.454 53.564 152.686 1.00 19.11 C +ATOM 257 ND1 HIS A 33 35.972 52.341 153.108 1.00 19.83 N +ATOM 258 CD2 HIS A 33 35.714 53.907 151.609 1.00 19.67 C +ATOM 259 CE1 HIS A 33 34.961 51.982 152.337 1.00 20.19 C +ATOM 260 NE2 HIS A 33 34.784 52.916 151.418 1.00 20.42 N +ATOM 261 N ASN A 34 41.260 54.368 152.710 1.00 21.42 N +ATOM 262 CA ASN A 34 42.425 55.192 152.958 1.00 22.08 C +ATOM 263 C ASN A 34 42.565 55.138 154.486 1.00 23.87 C +ATOM 264 O ASN A 34 42.037 54.204 155.133 1.00 24.46 O +ATOM 265 CB ASN A 34 42.183 56.624 152.391 1.00 23.15 C +ATOM 266 CG ASN A 34 43.446 57.471 152.249 1.00 23.00 C +ATOM 267 OD1 ASN A 34 44.286 57.548 153.167 1.00 21.39 O +ATOM 268 ND2 ASN A 34 43.547 58.173 151.129 1.00 19.07 N +ATOM 269 N LEU A 35 43.225 56.139 155.075 1.00 24.11 N +ATOM 270 CA LEU A 35 43.462 56.155 156.510 1.00 23.33 C +ATOM 271 C LEU A 35 42.386 56.895 157.306 1.00 22.29 C +ATOM 272 O LEU A 35 42.379 56.804 158.514 1.00 24.64 O +ATOM 273 CB LEU A 35 44.828 56.793 156.802 1.00 24.94 C +ATOM 274 CG LEU A 35 45.991 56.074 156.126 1.00 26.34 C +ATOM 275 CD1 LEU A 35 47.324 56.834 156.358 1.00 29.35 C +ATOM 276 CD2 LEU A 35 46.084 54.602 156.601 1.00 23.71 C +ATOM 277 N HIS A 36 41.482 57.609 156.645 1.00 22.32 N +ATOM 278 CA HIS A 36 40.636 58.614 157.304 1.00 22.21 C +ATOM 279 C HIS A 36 39.131 58.323 157.348 1.00 22.35 C +ATOM 280 O HIS A 36 38.416 58.877 158.163 1.00 23.06 O +ATOM 281 CB HIS A 36 40.846 59.998 156.647 1.00 23.01 C +ATOM 282 CG HIS A 36 40.417 60.064 155.214 1.00 21.08 C +ATOM 283 ND1 HIS A 36 40.917 59.223 154.248 1.00 23.27 N +ATOM 284 CD2 HIS A 36 39.556 60.886 154.580 1.00 19.61 C +ATOM 285 CE1 HIS A 36 40.353 59.499 153.084 1.00 23.50 C +ATOM 286 NE2 HIS A 36 39.527 60.509 153.259 1.00 22.96 N +ATOM 287 N LEU A 37 38.638 57.462 156.488 1.00 21.49 N +ATOM 288 CA LEU A 37 37.184 57.311 156.364 1.00 20.40 C +ATOM 289 C LEU A 37 36.775 56.047 157.109 1.00 19.77 C +ATOM 290 O LEU A 37 37.561 55.105 157.208 1.00 20.61 O +ATOM 291 CB LEU A 37 36.795 57.231 154.891 1.00 21.18 C +ATOM 292 CG LEU A 37 36.598 58.518 154.089 1.00 21.64 C +ATOM 293 CD1 LEU A 37 36.477 58.112 152.615 1.00 17.21 C +ATOM 294 CD2 LEU A 37 35.367 59.317 154.536 1.00 18.39 C +ATOM 295 N PRO A 38 35.565 56.015 157.662 1.00 20.96 N +ATOM 296 CA PRO A 38 35.103 54.818 158.376 1.00 20.98 C +ATOM 297 C PRO A 38 35.098 53.521 157.575 1.00 19.58 C +ATOM 298 O PRO A 38 34.737 53.486 156.396 1.00 18.83 O +ATOM 299 CB PRO A 38 33.663 55.179 158.768 1.00 22.85 C +ATOM 300 CG PRO A 38 33.639 56.631 158.776 1.00 22.63 C +ATOM 301 CD PRO A 38 34.543 57.076 157.692 1.00 21.54 C +ATOM 302 N TYR A 39 35.469 52.452 158.247 1.00 19.55 N +ATOM 303 CA TYR A 39 35.278 51.086 157.729 1.00 18.98 C +ATOM 304 C TYR A 39 33.900 50.858 157.145 1.00 18.49 C +ATOM 305 O TYR A 39 33.748 50.058 156.203 1.00 19.16 O +ATOM 306 CB TYR A 39 35.529 50.062 158.848 1.00 18.61 C +ATOM 307 CG TYR A 39 36.988 49.682 158.979 1.00 21.29 C +ATOM 308 CD1 TYR A 39 37.859 50.412 159.786 1.00 19.19 C +ATOM 309 CD2 TYR A 39 37.497 48.582 158.293 1.00 20.20 C +ATOM 310 CE1 TYR A 39 39.212 50.056 159.885 1.00 21.06 C +ATOM 311 CE2 TYR A 39 38.858 48.203 158.414 1.00 22.50 C +ATOM 312 CZ TYR A 39 39.704 48.956 159.202 1.00 22.11 C +ATOM 313 OH TYR A 39 41.057 48.597 159.329 1.00 26.09 O +ATOM 314 N LEU A 40 32.891 51.530 157.701 1.00 18.20 N +ATOM 315 CA LEU A 40 31.496 51.340 157.259 1.00 17.67 C +ATOM 316 C LEU A 40 30.987 52.401 156.277 1.00 18.33 C +ATOM 317 O LEU A 40 29.787 52.474 155.983 1.00 18.81 O +ATOM 318 CB LEU A 40 30.566 51.246 158.483 1.00 18.45 C +ATOM 319 CG LEU A 40 30.625 49.990 159.390 1.00 19.29 C +ATOM 320 CD1 LEU A 40 29.493 50.114 160.418 1.00 22.49 C +ATOM 321 CD2 LEU A 40 30.485 48.663 158.634 1.00 18.15 C +ATOM 322 N THR A 41 31.887 53.205 155.718 1.00 18.95 N +ATOM 323 CA THR A 41 31.504 54.158 154.683 1.00 18.57 C +ATOM 324 C THR A 41 30.421 53.666 153.699 1.00 18.85 C +ATOM 325 O THR A 41 29.435 54.362 153.435 1.00 17.68 O +ATOM 326 CB THR A 41 32.788 54.623 153.941 1.00 18.61 C +ATOM 327 OG1 THR A 41 33.559 55.365 154.883 1.00 15.52 O +ATOM 328 CG2 THR A 41 32.497 55.480 152.707 1.00 14.57 C +ATOM 329 N ASP A 42 30.616 52.469 153.148 1.00 19.34 N +ATOM 330 CA ASP A 42 29.736 51.975 152.078 1.00 17.94 C +ATOM 331 C ASP A 42 28.364 51.566 152.573 1.00 18.32 C +ATOM 332 O ASP A 42 27.468 51.359 151.763 1.00 18.44 O +ATOM 333 CB ASP A 42 30.378 50.784 151.367 1.00 19.75 C +ATOM 334 CG ASP A 42 31.630 51.167 150.637 1.00 17.25 C +ATOM 335 OD1 ASP A 42 31.910 52.376 150.581 1.00 25.62 O +ATOM 336 OD2 ASP A 42 32.331 50.281 150.149 1.00 19.88 O +ATOM 337 N CYS A 43 28.212 51.420 153.882 1.00 17.94 N +ATOM 338 CA CYS A 43 26.917 51.248 154.489 1.00 20.12 C +ATOM 339 C CYS A 43 26.280 52.604 154.816 1.00 19.47 C +ATOM 340 O CYS A 43 25.078 52.815 154.603 1.00 18.80 O +ATOM 341 CB CYS A 43 27.056 50.460 155.793 1.00 21.75 C +ATOM 342 SG CYS A 43 27.481 48.752 155.572 1.00 24.31 S +ATOM 343 N ILE A 44 27.099 53.482 155.390 1.00 18.40 N +ATOM 344 CA ILE A 44 26.632 54.735 155.943 1.00 19.06 C +ATOM 345 C ILE A 44 26.076 55.659 154.886 1.00 19.43 C +ATOM 346 O ILE A 44 24.983 56.230 155.058 1.00 20.13 O +ATOM 347 CB ILE A 44 27.758 55.434 156.731 1.00 18.82 C +ATOM 348 CG1 ILE A 44 28.058 54.671 158.033 1.00 19.09 C +ATOM 349 CG2 ILE A 44 27.400 56.875 157.061 1.00 21.12 C +ATOM 350 CD1 ILE A 44 29.371 55.109 158.731 1.00 19.02 C +ATOM 351 N LEU A 45 26.802 55.785 153.789 1.00 18.81 N +ATOM 352 CA LEU A 45 26.409 56.694 152.711 1.00 19.02 C +ATOM 353 C LEU A 45 25.122 56.308 151.967 1.00 18.46 C +ATOM 354 O LEU A 45 24.248 57.158 151.822 1.00 18.43 O +ATOM 355 CB LEU A 45 27.576 56.982 151.747 1.00 18.41 C +ATOM 356 CG LEU A 45 28.804 57.671 152.386 1.00 18.02 C +ATOM 357 CD1 LEU A 45 29.838 58.017 151.312 1.00 15.57 C +ATOM 358 CD2 LEU A 45 28.459 58.939 153.232 1.00 15.46 C +ATOM 359 N PRO A 46 24.986 55.040 151.492 1.00 18.77 N +ATOM 360 CA PRO A 46 23.674 54.734 150.910 1.00 18.29 C +ATOM 361 C PRO A 46 22.515 54.760 151.891 1.00 18.50 C +ATOM 362 O PRO A 46 21.393 54.998 151.478 1.00 20.81 O +ATOM 363 CB PRO A 46 23.853 53.335 150.326 1.00 17.87 C +ATOM 364 CG PRO A 46 25.039 52.757 151.016 1.00 19.22 C +ATOM 365 CD PRO A 46 25.927 53.911 151.377 1.00 16.44 C +ATOM 366 N HIS A 47 22.778 54.492 153.178 1.00 19.93 N +ATOM 367 CA HIS A 47 21.743 54.575 154.186 1.00 20.69 C +ATOM 368 C HIS A 47 21.239 56.013 154.306 1.00 19.54 C +ATOM 369 O HIS A 47 20.043 56.255 154.346 1.00 19.15 O +ATOM 370 CB HIS A 47 22.260 54.113 155.552 1.00 20.28 C +ATOM 371 CG HIS A 47 21.270 54.311 156.667 1.00 23.37 C +ATOM 372 ND1 HIS A 47 21.264 55.435 157.471 1.00 22.32 N +ATOM 373 CD2 HIS A 47 20.226 53.543 157.083 1.00 23.94 C +ATOM 374 CE1 HIS A 47 20.281 55.341 158.348 1.00 24.77 C +ATOM 375 NE2 HIS A 47 19.631 54.203 158.135 1.00 26.26 N +ATOM 376 N ASP A 48 22.152 56.972 154.401 1.00 20.71 N +ATOM 377 CA ASP A 48 21.749 58.371 154.626 1.00 21.29 C +ATOM 378 C ASP A 48 21.094 58.961 153.393 1.00 20.58 C +ATOM 379 O ASP A 48 20.069 59.680 153.482 1.00 21.69 O +ATOM 380 CB ASP A 48 22.933 59.224 155.085 1.00 21.54 C +ATOM 381 CG ASP A 48 23.383 58.897 156.506 1.00 23.57 C +ATOM 382 OD1 ASP A 48 22.824 57.985 157.163 1.00 32.58 O +ATOM 383 OD2 ASP A 48 24.319 59.557 156.978 1.00 29.57 O +ATOM 384 N ILE A 49 21.654 58.631 152.234 1.00 19.82 N +ATOM 385 CA ILE A 49 21.082 59.039 150.979 1.00 18.67 C +ATOM 386 C ILE A 49 19.662 58.471 150.855 1.00 19.60 C +ATOM 387 O ILE A 49 18.728 59.190 150.510 1.00 20.23 O +ATOM 388 CB ILE A 49 21.964 58.595 149.773 1.00 19.58 C +ATOM 389 CG1 ILE A 49 23.293 59.367 149.798 1.00 17.79 C +ATOM 390 CG2 ILE A 49 21.187 58.789 148.504 1.00 15.90 C +ATOM 391 CD1 ILE A 49 24.249 59.080 148.704 1.00 17.69 C +ATOM 392 N ALA A 50 19.509 57.189 151.139 1.00 19.66 N +ATOM 393 CA ALA A 50 18.202 56.526 151.033 1.00 19.46 C +ATOM 394 C ALA A 50 17.148 57.153 151.943 1.00 18.99 C +ATOM 395 O ALA A 50 16.004 57.333 151.536 1.00 19.47 O +ATOM 396 CB ALA A 50 18.336 55.022 151.312 1.00 17.85 C +ATOM 397 N VAL A 51 17.549 57.490 153.170 1.00 19.57 N +ATOM 398 CA VAL A 51 16.619 58.080 154.140 1.00 20.48 C +ATOM 399 C VAL A 51 16.157 59.459 153.678 1.00 20.80 C +ATOM 400 O VAL A 51 14.950 59.741 153.687 1.00 20.67 O +ATOM 401 CB VAL A 51 17.229 58.077 155.574 1.00 22.00 C +ATOM 402 CG1 VAL A 51 16.302 58.799 156.581 1.00 21.19 C +ATOM 403 CG2 VAL A 51 17.510 56.615 156.008 1.00 15.86 C +ATOM 404 N GLU A 52 17.091 60.279 153.177 1.00 21.04 N +ATOM 405 CA GLU A 52 16.717 61.575 152.595 1.00 20.69 C +ATOM 406 C GLU A 52 15.804 61.455 151.388 1.00 21.58 C +ATOM 407 O GLU A 52 14.840 62.207 151.292 1.00 22.48 O +ATOM 408 CB GLU A 52 17.927 62.409 152.179 1.00 23.11 C +ATOM 409 CG GLU A 52 18.791 62.897 153.298 1.00 32.25 C +ATOM 410 CD GLU A 52 19.585 64.150 152.915 1.00 39.49 C +ATOM 411 OE1 GLU A 52 19.962 64.258 151.750 1.00 30.87 O +ATOM 412 OE2 GLU A 52 19.830 65.017 153.792 1.00 53.17 O +ATOM 413 N ALA A 53 16.097 60.523 150.470 1.00 20.76 N +ATOM 414 CA ALA A 53 15.202 60.250 149.339 1.00 19.08 C +ATOM 415 C ALA A 53 13.841 59.784 149.801 1.00 19.98 C +ATOM 416 O ALA A 53 12.823 60.172 149.242 1.00 20.57 O +ATOM 417 CB ALA A 53 15.806 59.202 148.358 1.00 18.11 C +ATOM 418 N ALA A 54 13.805 58.911 150.797 1.00 20.43 N +ATOM 419 CA ALA A 54 12.526 58.414 151.323 1.00 20.83 C +ATOM 420 C ALA A 54 11.732 59.593 151.935 1.00 20.76 C +ATOM 421 O ALA A 54 10.544 59.778 151.680 1.00 22.29 O +ATOM 422 CB ALA A 54 12.774 57.293 152.363 1.00 17.69 C +ATOM 423 N GLU A 55 12.396 60.422 152.706 1.00 22.20 N +ATOM 424 CA GLU A 55 11.743 61.618 153.262 1.00 24.15 C +ATOM 425 C GLU A 55 11.166 62.521 152.179 1.00 23.52 C +ATOM 426 O GLU A 55 10.046 62.986 152.323 1.00 23.65 O +ATOM 427 CB GLU A 55 12.718 62.400 154.161 1.00 22.10 C +ATOM 428 CG GLU A 55 13.048 61.675 155.458 1.00 23.82 C +ATOM 429 CD GLU A 55 14.204 62.290 156.264 1.00 28.63 C +ATOM 430 OE1 GLU A 55 15.108 62.934 155.683 1.00 33.32 O +ATOM 431 OE2 GLU A 55 14.211 62.091 157.504 1.00 36.55 O +ATOM 432 N LEU A 56 11.940 62.780 151.123 1.00 23.36 N +ATOM 433 CA LEU A 56 11.498 63.594 149.972 1.00 23.33 C +ATOM 434 C LEU A 56 10.313 62.968 149.239 1.00 24.61 C +ATOM 435 O LEU A 56 9.302 63.639 148.956 1.00 25.39 O +ATOM 436 CB LEU A 56 12.665 63.882 148.992 1.00 23.33 C +ATOM 437 CG LEU A 56 12.312 64.719 147.738 1.00 25.18 C +ATOM 438 CD1 LEU A 56 11.650 66.054 148.065 1.00 22.60 C +ATOM 439 CD2 LEU A 56 13.557 64.974 146.860 1.00 19.84 C +ATOM 440 N ALA A 57 10.412 61.675 148.970 1.00 24.10 N +ATOM 441 CA ALA A 57 9.324 60.960 148.314 1.00 24.28 C +ATOM 442 C ALA A 57 8.022 61.100 149.136 1.00 24.67 C +ATOM 443 O ALA A 57 6.938 61.333 148.588 1.00 25.81 O +ATOM 444 CB ALA A 57 9.715 59.449 148.073 1.00 19.73 C +ATOM 445 N LEU A 58 8.127 61.001 150.453 1.00 24.76 N +ATOM 446 CA LEU A 58 6.931 61.087 151.302 1.00 25.88 C +ATOM 447 C LEU A 58 6.349 62.516 151.338 1.00 26.77 C +ATOM 448 O LEU A 58 5.150 62.716 151.210 1.00 26.89 O +ATOM 449 CB LEU A 58 7.243 60.597 152.725 1.00 24.83 C +ATOM 450 CG LEU A 58 6.089 60.517 153.728 1.00 24.84 C +ATOM 451 CD1 LEU A 58 4.963 59.692 153.208 1.00 24.93 C +ATOM 452 CD2 LEU A 58 6.547 59.923 155.019 1.00 24.87 C +ATOM 453 N SER A 59 7.207 63.501 151.547 1.00 27.91 N +ATOM 454 CA SER A 59 6.748 64.890 151.639 1.00 31.05 C +ATOM 455 C SER A 59 6.134 65.366 150.326 1.00 32.05 C +ATOM 456 O SER A 59 5.089 66.053 150.313 1.00 34.11 O +ATOM 457 CB SER A 59 7.890 65.832 152.020 1.00 29.06 C +ATOM 458 OG SER A 59 8.963 65.762 151.109 1.00 35.88 O +ATOM 459 N ARG A 60 6.785 64.989 149.234 1.00 31.63 N +ATOM 460 CA ARG A 60 6.468 65.498 147.909 1.00 32.06 C +ATOM 461 C ARG A 60 5.282 64.780 147.288 1.00 31.63 C +ATOM 462 O ARG A 60 4.423 65.417 146.725 1.00 32.78 O +ATOM 463 CB ARG A 60 7.711 65.364 147.030 1.00 32.08 C +ATOM 464 CG ARG A 60 7.530 65.746 145.579 1.00 37.04 C +ATOM 465 CD ARG A 60 8.881 66.004 144.920 1.00 36.37 C +ATOM 466 NE ARG A 60 9.471 64.779 144.386 1.00 37.71 N +ATOM 467 CZ ARG A 60 10.662 64.723 143.809 1.00 33.97 C +ATOM 468 NH1 ARG A 60 11.394 65.816 143.691 1.00 36.71 N +ATOM 469 NH2 ARG A 60 11.115 63.572 143.337 1.00 38.13 N +ATOM 470 N SER A 61 5.223 63.457 147.414 1.00 30.98 N +ATOM 471 CA SER A 61 4.210 62.649 146.720 1.00 31.11 C +ATOM 472 C SER A 61 3.316 61.803 147.617 1.00 29.17 C +ATOM 473 O SER A 61 2.442 61.136 147.108 1.00 28.68 O +ATOM 474 CB SER A 61 4.896 61.702 145.722 1.00 31.50 C +ATOM 475 OG SER A 61 5.232 62.366 144.504 1.00 37.60 O +ATOM 476 N GLY A 62 3.575 61.770 148.923 1.00 28.24 N +ATOM 477 CA GLY A 62 2.902 60.819 149.811 1.00 28.45 C +ATOM 478 C GLY A 62 3.287 59.344 149.633 1.00 28.19 C +ATOM 479 O GLY A 62 2.592 58.463 150.122 1.00 29.92 O +ATOM 480 N VAL A 63 4.405 59.078 148.963 1.00 27.59 N +ATOM 481 CA VAL A 63 4.907 57.716 148.776 1.00 25.76 C +ATOM 482 C VAL A 63 5.833 57.379 149.941 1.00 24.89 C +ATOM 483 O VAL A 63 6.845 58.036 150.153 1.00 24.08 O +ATOM 484 CB VAL A 63 5.656 57.579 147.415 1.00 25.75 C +ATOM 485 CG1 VAL A 63 6.379 56.273 147.317 1.00 23.29 C +ATOM 486 CG2 VAL A 63 4.672 57.767 146.229 1.00 24.13 C +ATOM 487 N ARG A 64 5.506 56.326 150.674 1.00 23.97 N +ATOM 488 CA ARG A 64 6.256 55.958 151.865 1.00 23.44 C +ATOM 489 C ARG A 64 7.131 54.706 151.626 1.00 22.74 C +ATOM 490 O ARG A 64 6.633 53.638 151.267 1.00 21.79 O +ATOM 491 CB ARG A 64 5.298 55.717 153.029 1.00 23.75 C +ATOM 492 CG ARG A 64 5.996 55.432 154.365 1.00 25.16 C +ATOM 493 CD ARG A 64 4.969 55.113 155.444 1.00 25.23 C +ATOM 494 NE ARG A 64 4.155 56.272 155.782 1.00 22.78 N +ATOM 495 CZ ARG A 64 2.838 56.397 155.571 1.00 27.60 C +ATOM 496 NH1 ARG A 64 2.107 55.448 155.024 1.00 27.45 N +ATOM 497 NH2 ARG A 64 2.233 57.499 155.935 1.00 26.23 N +ATOM 498 N CYS A 65 8.423 54.866 151.869 1.00 22.20 N +ATOM 499 CA CYS A 65 9.408 53.830 151.678 1.00 23.11 C +ATOM 500 C CYS A 65 10.112 53.481 152.975 1.00 22.79 C +ATOM 501 O CYS A 65 10.370 54.341 153.791 1.00 24.07 O +ATOM 502 CB CYS A 65 10.443 54.299 150.667 1.00 22.42 C +ATOM 503 SG CYS A 65 9.751 54.793 149.100 1.00 25.04 S +HETATM 504 N MSE A 66 10.472 52.226 153.152 1.00 20.69 N +HETATM 505 CA MSE A 66 11.229 51.845 154.313 1.00 18.99 C +HETATM 506 C MSE A 66 12.660 51.587 153.913 1.00 18.77 C +HETATM 507 O MSE A 66 12.935 50.786 153.017 1.00 18.18 O +HETATM 508 CB MSE A 66 10.638 50.605 154.985 1.00 19.12 C +HETATM 509 CG MSE A 66 11.368 50.156 156.250 1.00 21.76 C +HETATM 510 SE MSE A 66 11.558 51.547 157.599 0.75 19.75 SE +HETATM 511 CE MSE A 66 9.777 51.387 158.560 1.00 18.25 C +ATOM 512 N VAL A 67 13.573 52.247 154.618 1.00 18.67 N +ATOM 513 CA VAL A 67 14.992 51.986 154.484 1.00 17.81 C +ATOM 514 C VAL A 67 15.414 50.939 155.509 1.00 18.86 C +ATOM 515 O VAL A 67 15.385 51.185 156.696 1.00 18.56 O +ATOM 516 CB VAL A 67 15.792 53.276 154.599 1.00 16.92 C +ATOM 517 CG1 VAL A 67 17.323 53.025 154.489 1.00 14.71 C +ATOM 518 CG2 VAL A 67 15.326 54.215 153.495 1.00 17.37 C +HETATM 519 N MSE A 68 15.790 49.751 155.027 1.00 18.58 N +HETATM 520 CA MSE A 68 16.182 48.642 155.896 1.00 18.01 C +HETATM 521 C MSE A 68 17.595 48.878 156.448 1.00 19.09 C +HETATM 522 O MSE A 68 18.283 49.790 155.979 1.00 19.72 O +HETATM 523 CB MSE A 68 16.179 47.338 155.116 1.00 17.39 C +HETATM 524 CG MSE A 68 14.872 46.977 154.521 1.00 22.52 C +HETATM 525 SE MSE A 68 13.509 46.492 155.812 0.75 22.42 SE +HETATM 526 CE MSE A 68 14.236 44.771 156.478 1.00 18.65 C +ATOM 527 N PRO A 69 18.015 48.096 157.461 1.00 19.39 N +ATOM 528 CA PRO A 69 19.378 48.214 157.950 1.00 21.41 C +ATOM 529 C PRO A 69 20.396 47.824 156.862 1.00 22.15 C +ATOM 530 O PRO A 69 20.151 46.865 156.118 1.00 20.89 O +ATOM 531 CB PRO A 69 19.440 47.204 159.113 1.00 19.74 C +ATOM 532 CG PRO A 69 18.014 46.969 159.515 1.00 20.96 C +ATOM 533 CD PRO A 69 17.251 47.077 158.213 1.00 19.05 C +ATOM 534 N PRO A 70 21.498 48.575 156.749 1.00 22.25 N +ATOM 535 CA PRO A 70 22.483 48.265 155.718 1.00 21.96 C +ATOM 536 C PRO A 70 23.127 46.889 155.844 1.00 21.49 C +ATOM 537 O PRO A 70 23.375 46.418 156.962 1.00 23.03 O +ATOM 538 CB PRO A 70 23.532 49.353 155.896 1.00 20.50 C +ATOM 539 CG PRO A 70 22.862 50.419 156.647 1.00 23.80 C +ATOM 540 CD PRO A 70 21.875 49.772 157.522 1.00 23.42 C +ATOM 541 N VAL A 71 23.397 46.243 154.714 1.00 20.89 N +ATOM 542 CA VAL A 71 24.164 44.968 154.728 1.00 18.28 C +ATOM 543 C VAL A 71 25.665 45.294 154.693 1.00 17.47 C +ATOM 544 O VAL A 71 26.174 45.909 153.733 1.00 17.52 O +ATOM 545 CB VAL A 71 23.702 44.042 153.598 1.00 18.07 C +ATOM 546 CG1 VAL A 71 24.298 42.630 153.719 1.00 13.60 C +ATOM 547 CG2 VAL A 71 22.199 43.972 153.619 1.00 15.92 C +ATOM 548 N PRO A 72 26.401 44.939 155.777 1.00 17.35 N +ATOM 549 CA PRO A 72 27.824 45.260 155.760 1.00 17.77 C +ATOM 550 C PRO A 72 28.726 44.212 155.072 1.00 18.45 C +ATOM 551 O PRO A 72 29.920 44.172 155.344 1.00 21.21 O +ATOM 552 CB PRO A 72 28.153 45.394 157.252 1.00 18.67 C +ATOM 553 CG PRO A 72 27.228 44.423 157.915 1.00 21.42 C +ATOM 554 CD PRO A 72 25.996 44.302 157.046 1.00 17.22 C +ATOM 555 N PHE A 73 28.168 43.406 154.160 1.00 17.95 N +ATOM 556 CA PHE A 73 28.911 42.288 153.588 1.00 17.31 C +ATOM 557 C PHE A 73 29.160 42.483 152.114 1.00 17.71 C +ATOM 558 O PHE A 73 28.268 42.242 151.275 1.00 18.76 O +ATOM 559 CB PHE A 73 28.164 40.995 153.855 1.00 18.32 C +ATOM 560 CG PHE A 73 28.049 40.677 155.294 1.00 21.13 C +ATOM 561 CD1 PHE A 73 29.159 40.271 156.013 1.00 23.77 C +ATOM 562 CD2 PHE A 73 26.823 40.779 155.955 1.00 22.04 C +ATOM 563 CE1 PHE A 73 29.048 39.976 157.366 1.00 20.64 C +ATOM 564 CE2 PHE A 73 26.715 40.479 157.301 1.00 19.60 C +ATOM 565 CZ PHE A 73 27.831 40.074 158.008 1.00 19.64 C +ATOM 566 N GLY A 74 30.367 42.957 151.794 1.00 18.51 N +ATOM 567 CA GLY A 74 30.747 43.326 150.433 1.00 17.41 C +ATOM 568 C GLY A 74 31.682 42.294 149.826 1.00 17.19 C +ATOM 569 O GLY A 74 32.204 41.442 150.533 1.00 16.56 O +ATOM 570 N ALA A 75 31.852 42.385 148.502 1.00 17.18 N +ATOM 571 CA ALA A 75 32.696 41.504 147.710 1.00 17.15 C +ATOM 572 C ALA A 75 33.975 42.255 147.419 1.00 18.28 C +ATOM 573 O ALA A 75 33.931 43.362 146.876 1.00 20.07 O +ATOM 574 CB ALA A 75 31.959 41.140 146.395 1.00 17.53 C +ATOM 575 N HIS A 76 35.118 41.695 147.807 1.00 19.55 N +ATOM 576 CA HIS A 76 36.408 42.431 147.752 1.00 19.66 C +ATOM 577 C HIS A 76 37.427 41.779 146.828 1.00 20.76 C +ATOM 578 O HIS A 76 37.201 40.687 146.295 1.00 20.27 O +ATOM 579 CB HIS A 76 36.982 42.667 149.165 1.00 21.02 C +ATOM 580 CG HIS A 76 36.100 43.548 149.982 1.00 21.80 C +ATOM 581 ND1 HIS A 76 35.897 44.876 149.674 1.00 24.29 N +ATOM 582 CD2 HIS A 76 35.234 43.256 150.976 1.00 23.34 C +ATOM 583 CE1 HIS A 76 34.989 45.377 150.491 1.00 26.48 C +ATOM 584 NE2 HIS A 76 34.571 44.413 151.290 1.00 21.86 N +ATOM 585 N ASN A 77 38.527 42.498 146.647 1.00 20.65 N +ATOM 586 CA ASN A 77 39.575 42.190 145.683 1.00 21.19 C +ATOM 587 C ASN A 77 40.772 41.576 146.370 1.00 22.12 C +ATOM 588 O ASN A 77 40.896 41.647 147.612 1.00 22.68 O +ATOM 589 CB ASN A 77 40.001 43.492 144.963 1.00 21.57 C +ATOM 590 CG ASN A 77 38.969 43.967 143.969 1.00 24.32 C +ATOM 591 OD1 ASN A 77 37.791 43.676 144.116 1.00 28.02 O +ATOM 592 ND2 ASN A 77 39.398 44.720 142.964 1.00 22.35 N +ATOM 593 N PRO A 78 41.650 40.945 145.581 1.00 23.25 N +ATOM 594 CA PRO A 78 42.908 40.439 146.109 1.00 23.61 C +ATOM 595 C PRO A 78 43.694 41.545 146.772 1.00 23.04 C +ATOM 596 O PRO A 78 43.687 42.672 146.248 1.00 23.41 O +ATOM 597 CB PRO A 78 43.645 39.977 144.845 1.00 25.03 C +ATOM 598 CG PRO A 78 42.565 39.645 143.891 1.00 23.65 C +ATOM 599 CD PRO A 78 41.521 40.669 144.128 1.00 24.39 C +ATOM 600 N GLY A 79 44.336 41.244 147.909 1.00 22.51 N +ATOM 601 CA GLY A 79 45.040 42.263 148.701 1.00 23.29 C +ATOM 602 C GLY A 79 44.207 43.006 149.742 1.00 24.08 C +ATOM 603 O GLY A 79 44.749 43.574 150.689 1.00 26.14 O +ATOM 604 N GLN A 80 42.881 43.022 149.590 1.00 23.71 N +ATOM 605 CA GLN A 80 42.030 43.707 150.554 1.00 23.80 C +ATOM 606 C GLN A 80 41.714 42.840 151.780 1.00 24.79 C +ATOM 607 O GLN A 80 41.576 43.362 152.886 1.00 24.92 O +ATOM 608 CB GLN A 80 40.713 44.096 149.920 1.00 23.73 C +ATOM 609 CG GLN A 80 40.789 45.150 148.842 1.00 23.37 C +ATOM 610 CD GLN A 80 39.424 45.734 148.562 1.00 23.19 C +ATOM 611 OE1 GLN A 80 38.641 45.189 147.784 1.00 23.23 O +ATOM 612 NE2 GLN A 80 39.118 46.846 149.222 1.00 24.19 N +ATOM 613 N ARG A 81 41.549 41.537 151.565 1.00 24.45 N +ATOM 614 CA ARG A 81 41.197 40.595 152.632 1.00 26.51 C +ATOM 615 C ARG A 81 42.264 40.531 153.741 1.00 26.39 C +ATOM 616 O ARG A 81 41.952 40.290 154.942 1.00 27.66 O +ATOM 617 CB ARG A 81 40.988 39.206 152.004 1.00 27.40 C +ATOM 618 CG ARG A 81 40.403 38.159 152.917 1.00 30.64 C +ATOM 619 CD ARG A 81 40.127 36.884 152.181 1.00 28.82 C +ATOM 620 NE ARG A 81 41.351 36.261 151.675 1.00 37.10 N +ATOM 621 CZ ARG A 81 41.470 34.975 151.341 1.00 38.00 C +ATOM 622 NH1 ARG A 81 40.451 34.139 151.479 1.00 34.21 N +ATOM 623 NH2 ARG A 81 42.639 34.510 150.889 1.00 40.64 N +ATOM 624 N GLU A 82 43.517 40.726 153.352 1.00 26.75 N +ATOM 625 CA GLU A 82 44.630 40.761 154.308 1.00 29.69 C +ATOM 626 C GLU A 82 44.672 42.040 155.187 1.00 26.69 C +ATOM 627 O GLU A 82 45.314 42.035 156.223 1.00 26.39 O +ATOM 628 CB GLU A 82 45.968 40.546 153.580 1.00 31.77 C +ATOM 629 CG GLU A 82 46.435 41.751 152.726 1.00 37.86 C +ATOM 630 CD GLU A 82 47.686 41.469 151.855 1.00 40.00 C +ATOM 631 OE1 GLU A 82 47.698 40.466 151.084 1.00 55.68 O +ATOM 632 OE2 GLU A 82 48.642 42.278 151.917 1.00 50.44 O +ATOM 633 N LEU A 83 44.003 43.125 154.790 1.00 24.99 N +ATOM 634 CA LEU A 83 43.965 44.352 155.614 1.00 24.19 C +ATOM 635 C LEU A 83 43.094 44.123 156.844 1.00 23.55 C +ATOM 636 O LEU A 83 42.008 43.547 156.745 1.00 21.67 O +ATOM 637 CB LEU A 83 43.368 45.524 154.840 1.00 24.68 C +ATOM 638 CG LEU A 83 44.142 45.921 153.584 1.00 29.25 C +ATOM 639 CD1 LEU A 83 43.294 46.812 152.709 1.00 25.06 C +ATOM 640 CD2 LEU A 83 45.486 46.575 154.016 1.00 30.09 C +ATOM 641 N PRO A 84 43.536 44.605 158.003 1.00 23.44 N +ATOM 642 CA PRO A 84 42.765 44.297 159.203 1.00 23.01 C +ATOM 643 C PRO A 84 41.303 44.734 159.126 1.00 21.67 C +ATOM 644 O PRO A 84 40.985 45.865 158.713 1.00 21.18 O +ATOM 645 CB PRO A 84 43.490 45.071 160.305 1.00 23.35 C +ATOM 646 CG PRO A 84 44.338 46.052 159.611 1.00 27.29 C +ATOM 647 CD PRO A 84 44.715 45.433 158.307 1.00 25.53 C +ATOM 648 N PHE A 85 40.448 43.807 159.534 1.00 21.77 N +ATOM 649 CA PHE A 85 38.973 43.968 159.611 1.00 20.85 C +ATOM 650 C PHE A 85 38.226 44.114 158.281 1.00 20.81 C +ATOM 651 O PHE A 85 37.025 44.390 158.253 1.00 22.19 O +ATOM 652 CB PHE A 85 38.632 45.082 160.601 1.00 23.20 C +ATOM 653 CG PHE A 85 39.466 45.045 161.825 1.00 21.36 C +ATOM 654 CD1 PHE A 85 39.429 43.942 162.672 1.00 27.62 C +ATOM 655 CD2 PHE A 85 40.321 46.094 162.136 1.00 22.10 C +ATOM 656 CE1 PHE A 85 40.242 43.911 163.826 1.00 22.81 C +ATOM 657 CE2 PHE A 85 41.107 46.055 163.273 1.00 25.18 C +ATOM 658 CZ PHE A 85 41.063 44.971 164.110 1.00 20.03 C +ATOM 659 N CYS A 86 38.918 43.872 157.171 1.00 21.33 N +ATOM 660 CA CYS A 86 38.259 43.778 155.887 1.00 21.15 C +ATOM 661 C CYS A 86 37.610 42.403 155.734 1.00 21.32 C +ATOM 662 O CYS A 86 38.281 41.373 155.857 1.00 22.61 O +ATOM 663 CB CYS A 86 39.235 44.007 154.750 1.00 21.71 C +ATOM 664 SG CYS A 86 38.365 44.074 153.197 1.00 25.59 S +ATOM 665 N ILE A 87 36.292 42.391 155.474 1.00 19.48 N +ATOM 666 CA ILE A 87 35.546 41.139 155.380 1.00 19.43 C +ATOM 667 C ILE A 87 35.122 40.892 153.940 1.00 19.12 C +ATOM 668 O ILE A 87 34.144 41.508 153.467 1.00 18.84 O +ATOM 669 CB ILE A 87 34.274 41.143 156.289 1.00 20.99 C +ATOM 670 CG1 ILE A 87 34.646 41.450 157.747 1.00 20.87 C +ATOM 671 CG2 ILE A 87 33.470 39.816 156.123 1.00 17.02 C +ATOM 672 CD1 ILE A 87 35.534 40.419 158.466 1.00 17.59 C +ATOM 673 N HIS A 88 35.839 39.976 153.261 1.00 18.70 N +ATOM 674 CA HIS A 88 35.410 39.490 151.944 1.00 18.32 C +ATOM 675 C HIS A 88 34.203 38.584 152.073 1.00 17.35 C +ATOM 676 O HIS A 88 34.216 37.655 152.859 1.00 17.62 O +ATOM 677 CB HIS A 88 36.511 38.739 151.187 1.00 17.11 C +ATOM 678 CG HIS A 88 36.022 38.156 149.902 1.00 20.26 C +ATOM 679 ND1 HIS A 88 35.553 38.938 148.871 1.00 19.52 N +ATOM 680 CD2 HIS A 88 35.815 36.871 149.524 1.00 20.31 C +ATOM 681 CE1 HIS A 88 35.132 38.163 147.891 1.00 23.17 C +ATOM 682 NE2 HIS A 88 35.292 36.903 148.260 1.00 22.27 N +ATOM 683 N THR A 89 33.175 38.849 151.284 1.00 17.32 N +ATOM 684 CA THR A 89 31.958 38.053 151.293 1.00 17.29 C +ATOM 685 C THR A 89 31.867 37.396 149.925 1.00 16.95 C +ATOM 686 O THR A 89 31.898 38.113 148.917 1.00 17.07 O +ATOM 687 CB THR A 89 30.724 38.976 151.513 1.00 18.28 C +ATOM 688 OG1 THR A 89 31.006 39.897 152.587 1.00 20.48 O +ATOM 689 CG2 THR A 89 29.471 38.205 151.854 1.00 14.85 C +ATOM 690 N ARG A 90 31.723 36.061 149.887 1.00 14.52 N +ATOM 691 CA ARG A 90 31.533 35.353 148.639 1.00 15.89 C +ATOM 692 C ARG A 90 30.201 35.659 148.001 1.00 16.78 C +ATOM 693 O ARG A 90 29.214 35.915 148.692 1.00 16.42 O +ATOM 694 CB ARG A 90 31.584 33.838 148.860 1.00 18.06 C +ATOM 695 CG ARG A 90 32.879 33.285 149.219 1.00 17.92 C +ATOM 696 CD ARG A 90 32.682 31.807 149.652 1.00 22.82 C +ATOM 697 NE ARG A 90 32.113 31.725 151.006 1.00 25.56 N +ATOM 698 CZ ARG A 90 31.829 30.603 151.663 1.00 25.53 C +ATOM 699 NH1 ARG A 90 32.041 29.413 151.118 1.00 25.64 N +ATOM 700 NH2 ARG A 90 31.308 30.680 152.885 1.00 26.16 N +ATOM 701 N TYR A 91 30.139 35.564 146.681 1.00 17.66 N +ATOM 702 CA TYR A 91 28.867 35.855 145.964 1.00 17.42 C +ATOM 703 C TYR A 91 27.711 34.980 146.463 1.00 15.54 C +ATOM 704 O TYR A 91 26.572 35.474 146.596 1.00 17.35 O +ATOM 705 CB TYR A 91 29.038 35.667 144.438 1.00 18.45 C +ATOM 706 CG TYR A 91 27.862 36.132 143.573 1.00 19.59 C +ATOM 707 CD1 TYR A 91 26.723 35.358 143.398 1.00 18.91 C +ATOM 708 CD2 TYR A 91 27.939 37.329 142.890 1.00 23.71 C +ATOM 709 CE1 TYR A 91 25.653 35.819 142.561 1.00 23.22 C +ATOM 710 CE2 TYR A 91 26.922 37.774 142.071 1.00 25.20 C +ATOM 711 CZ TYR A 91 25.779 37.020 141.910 1.00 24.10 C +ATOM 712 OH TYR A 91 24.799 37.573 141.090 1.00 31.18 O +ATOM 713 N ALA A 92 27.988 33.695 146.705 1.00 16.05 N +ATOM 714 CA ALA A 92 26.999 32.754 147.214 1.00 15.84 C +ATOM 715 C ALA A 92 26.463 33.151 148.595 1.00 15.47 C +ATOM 716 O ALA A 92 25.280 32.938 148.887 1.00 15.78 O +ATOM 717 CB ALA A 92 27.574 31.306 147.271 1.00 17.84 C +ATOM 718 N THR A 93 27.334 33.685 149.446 1.00 15.50 N +ATOM 719 CA THR A 93 26.929 34.179 150.753 1.00 14.66 C +ATOM 720 C THR A 93 25.978 35.355 150.578 1.00 15.85 C +ATOM 721 O THR A 93 24.908 35.396 151.205 1.00 15.57 O +ATOM 722 CB THR A 93 28.116 34.642 151.598 1.00 14.14 C +ATOM 723 OG1 THR A 93 29.052 33.572 151.697 1.00 11.67 O +ATOM 724 CG2 THR A 93 27.643 35.117 153.018 1.00 12.27 C +ATOM 725 N GLN A 94 26.374 36.294 149.706 1.00 16.60 N +ATOM 726 CA GLN A 94 25.547 37.451 149.408 1.00 15.36 C +ATOM 727 C GLN A 94 24.207 37.040 148.861 1.00 15.37 C +ATOM 728 O GLN A 94 23.208 37.639 149.237 1.00 16.07 O +ATOM 729 CB GLN A 94 26.238 38.417 148.441 1.00 14.91 C +ATOM 730 CG GLN A 94 27.485 39.078 148.992 1.00 14.85 C +ATOM 731 CD GLN A 94 28.031 40.077 148.028 1.00 15.96 C +ATOM 732 OE1 GLN A 94 28.001 39.855 146.836 1.00 23.85 O +ATOM 733 NE2 GLN A 94 28.463 41.224 148.530 1.00 18.68 N +ATOM 734 N GLN A 95 24.178 36.045 147.977 1.00 16.16 N +ATOM 735 CA GLN A 95 22.931 35.565 147.372 1.00 16.93 C +ATOM 736 C GLN A 95 21.996 34.941 148.433 1.00 15.58 C +ATOM 737 O GLN A 95 20.789 35.129 148.390 1.00 16.61 O +ATOM 738 CB GLN A 95 23.234 34.555 146.243 1.00 17.06 C +ATOM 739 CG GLN A 95 22.004 34.225 145.417 1.00 19.82 C +ATOM 740 CD GLN A 95 22.247 33.292 144.233 1.00 26.58 C +ATOM 741 OE1 GLN A 95 22.767 33.688 143.185 1.00 35.55 O +ATOM 742 NE2 GLN A 95 21.806 32.041 144.387 1.00 39.55 N +ATOM 743 N ALA A 96 22.582 34.174 149.354 1.00 15.75 N +ATOM 744 CA ALA A 96 21.856 33.613 150.483 1.00 15.42 C +ATOM 745 C ALA A 96 21.180 34.705 151.313 1.00 16.22 C +ATOM 746 O ALA A 96 20.021 34.572 151.687 1.00 14.78 O +ATOM 747 CB ALA A 96 22.800 32.790 151.368 1.00 14.14 C +ATOM 748 N ILE A 97 21.916 35.779 151.605 1.00 16.13 N +ATOM 749 CA ILE A 97 21.386 36.943 152.349 1.00 14.68 C +ATOM 750 C ILE A 97 20.197 37.545 151.617 1.00 16.05 C +ATOM 751 O ILE A 97 19.114 37.693 152.208 1.00 15.56 O +ATOM 752 CB ILE A 97 22.459 38.005 152.577 1.00 15.97 C +ATOM 753 CG1 ILE A 97 23.507 37.471 153.563 1.00 18.69 C +ATOM 754 CG2 ILE A 97 21.873 39.257 153.158 1.00 17.05 C +ATOM 755 CD1 ILE A 97 24.771 38.287 153.662 1.00 11.91 C +ATOM 756 N LEU A 98 20.370 37.854 150.332 1.00 16.41 N +ATOM 757 CA LEU A 98 19.273 38.481 149.556 1.00 16.72 C +ATOM 758 C LEU A 98 18.062 37.575 149.394 1.00 17.26 C +ATOM 759 O LEU A 98 16.928 38.022 149.486 1.00 18.34 O +ATOM 760 CB LEU A 98 19.793 38.971 148.198 1.00 17.26 C +ATOM 761 CG LEU A 98 18.749 39.699 147.343 1.00 17.80 C +ATOM 762 CD1 LEU A 98 18.258 40.941 148.034 1.00 13.63 C +ATOM 763 CD2 LEU A 98 19.269 39.994 145.927 1.00 16.53 C +ATOM 764 N GLU A 99 18.279 36.282 149.167 1.00 18.18 N +ATOM 765 CA GLU A 99 17.167 35.283 149.233 1.00 18.22 C +ATOM 766 C GLU A 99 16.346 35.327 150.526 1.00 17.65 C +ATOM 767 O GLU A 99 15.136 35.218 150.516 1.00 17.29 O +ATOM 768 CB GLU A 99 17.740 33.857 149.058 1.00 18.04 C +ATOM 769 CG GLU A 99 18.070 33.534 147.634 1.00 17.10 C +ATOM 770 CD GLU A 99 18.811 32.205 147.401 1.00 22.27 C +ATOM 771 OE1 GLU A 99 19.167 31.460 148.353 1.00 23.59 O +ATOM 772 OE2 GLU A 99 19.083 31.934 146.212 1.00 27.91 O +ATOM 773 N ASP A 100 17.017 35.443 151.661 1.00 17.28 N +ATOM 774 CA ASP A 100 16.337 35.462 152.955 1.00 17.09 C +ATOM 775 C ASP A 100 15.564 36.773 153.146 1.00 17.62 C +ATOM 776 O ASP A 100 14.402 36.780 153.571 1.00 18.00 O +ATOM 777 CB ASP A 100 17.367 35.191 154.092 1.00 18.81 C +ATOM 778 CG ASP A 100 17.799 33.706 154.158 1.00 20.34 C +ATOM 779 OD1 ASP A 100 17.206 32.911 153.446 1.00 23.82 O +ATOM 780 OD2 ASP A 100 18.733 33.316 154.886 1.00 22.92 O +ATOM 781 N ILE A 101 16.193 37.882 152.792 1.00 17.41 N +ATOM 782 CA ILE A 101 15.500 39.167 152.757 1.00 16.01 C +ATOM 783 C ILE A 101 14.253 39.160 151.850 1.00 17.07 C +ATOM 784 O ILE A 101 13.165 39.543 152.296 1.00 18.07 O +ATOM 785 CB ILE A 101 16.450 40.332 152.354 1.00 15.52 C +ATOM 786 CG1 ILE A 101 17.544 40.495 153.422 1.00 16.25 C +ATOM 787 CG2 ILE A 101 15.684 41.648 152.210 1.00 15.56 C +ATOM 788 CD1 ILE A 101 18.629 41.503 153.086 1.00 16.16 C +ATOM 789 N VAL A 102 14.388 38.697 150.605 1.00 17.38 N +ATOM 790 CA VAL A 102 13.276 38.731 149.657 1.00 17.15 C +ATOM 791 C VAL A 102 12.170 37.775 150.105 1.00 18.19 C +ATOM 792 O VAL A 102 10.979 38.100 150.011 1.00 19.04 O +ATOM 793 CB VAL A 102 13.750 38.407 148.198 1.00 18.74 C +ATOM 794 CG1 VAL A 102 12.537 38.203 147.235 1.00 13.64 C +ATOM 795 CG2 VAL A 102 14.712 39.495 147.688 1.00 12.56 C +ATOM 796 N SER A 103 12.556 36.607 150.612 1.00 17.11 N +ATOM 797 CA SER A 103 11.582 35.619 151.105 1.00 18.31 C +ATOM 798 C SER A 103 10.684 36.157 152.236 1.00 18.44 C +ATOM 799 O SER A 103 9.485 35.936 152.275 1.00 19.29 O +ATOM 800 CB SER A 103 12.323 34.370 151.594 1.00 17.92 C +ATOM 801 OG SER A 103 11.395 33.507 152.249 1.00 27.67 O +ATOM 802 N SER A 104 11.303 36.872 153.165 1.00 18.81 N +ATOM 803 CA SER A 104 10.608 37.479 154.281 1.00 18.04 C +ATOM 804 C SER A 104 9.722 38.615 153.826 1.00 17.48 C +ATOM 805 O SER A 104 8.530 38.683 154.200 1.00 17.49 O +ATOM 806 CB SER A 104 11.622 37.981 155.301 1.00 19.52 C +ATOM 807 OG SER A 104 12.182 36.905 156.029 1.00 20.36 O +ATOM 808 N LEU A 105 10.298 39.516 153.032 1.00 17.61 N +ATOM 809 CA LEU A 105 9.558 40.694 152.556 1.00 17.43 C +ATOM 810 C LEU A 105 8.351 40.275 151.707 1.00 18.62 C +ATOM 811 O LEU A 105 7.287 40.900 151.737 1.00 18.73 O +ATOM 812 CB LEU A 105 10.497 41.614 151.777 1.00 16.88 C +ATOM 813 CG LEU A 105 11.594 42.402 152.508 1.00 20.31 C +ATOM 814 CD1 LEU A 105 12.425 43.162 151.479 1.00 15.73 C +ATOM 815 CD2 LEU A 105 10.973 43.339 153.551 1.00 13.59 C +ATOM 816 N HIS A 106 8.511 39.183 150.962 1.00 19.72 N +ATOM 817 CA HIS A 106 7.443 38.645 150.136 1.00 21.30 C +ATOM 818 C HIS A 106 6.279 38.102 150.988 1.00 21.05 C +ATOM 819 O HIS A 106 5.105 38.362 150.688 1.00 22.53 O +ATOM 820 CB HIS A 106 7.995 37.569 149.173 1.00 20.98 C +ATOM 821 CG HIS A 106 7.008 37.159 148.134 1.00 20.92 C +ATOM 822 ND1 HIS A 106 6.071 36.170 148.350 1.00 25.43 N +ATOM 823 CD2 HIS A 106 6.744 37.671 146.908 1.00 24.21 C +ATOM 824 CE1 HIS A 106 5.290 36.074 147.288 1.00 28.09 C +ATOM 825 NE2 HIS A 106 5.683 36.967 146.395 1.00 25.09 N +ATOM 826 N VAL A 107 6.608 37.358 152.040 1.00 21.52 N +ATOM 827 CA VAL A 107 5.611 36.838 152.984 1.00 21.63 C +ATOM 828 C VAL A 107 4.850 37.984 153.676 1.00 22.28 C +ATOM 829 O VAL A 107 3.680 37.867 153.972 1.00 22.02 O +ATOM 830 CB VAL A 107 6.271 35.863 154.031 1.00 21.66 C +ATOM 831 CG1 VAL A 107 5.427 35.717 155.271 1.00 27.21 C +ATOM 832 CG2 VAL A 107 6.467 34.517 153.420 1.00 20.98 C +ATOM 833 N GLN A 108 5.522 39.110 153.869 1.00 22.01 N +ATOM 834 CA GLN A 108 4.935 40.315 154.462 1.00 21.52 C +ATOM 835 C GLN A 108 4.040 41.120 153.501 1.00 23.05 C +ATOM 836 O GLN A 108 3.449 42.131 153.905 1.00 23.66 O +ATOM 837 CB GLN A 108 6.081 41.211 154.957 1.00 20.91 C +ATOM 838 CG GLN A 108 6.858 40.587 156.100 1.00 19.59 C +ATOM 839 CD GLN A 108 8.253 41.124 156.265 1.00 15.87 C +ATOM 840 OE1 GLN A 108 8.550 42.250 155.894 1.00 19.78 O +ATOM 841 NE2 GLN A 108 9.129 40.307 156.865 1.00 18.25 N +ATOM 842 N GLY A 109 4.016 40.731 152.226 1.00 22.66 N +ATOM 843 CA GLY A 109 3.183 41.387 151.219 1.00 22.01 C +ATOM 844 C GLY A 109 3.867 42.441 150.381 1.00 21.99 C +ATOM 845 O GLY A 109 3.240 43.045 149.551 1.00 21.63 O +ATOM 846 N PHE A 110 5.154 42.683 150.588 1.00 21.04 N +ATOM 847 CA PHE A 110 5.878 43.643 149.775 1.00 19.44 C +ATOM 848 C PHE A 110 6.259 43.039 148.416 1.00 20.12 C +ATOM 849 O PHE A 110 6.476 41.860 148.294 1.00 20.69 O +ATOM 850 CB PHE A 110 7.112 44.152 150.554 1.00 22.22 C +ATOM 851 CG PHE A 110 6.765 44.777 151.898 1.00 16.30 C +ATOM 852 CD1 PHE A 110 6.102 45.979 151.970 1.00 19.56 C +ATOM 853 CD2 PHE A 110 7.086 44.146 153.071 1.00 20.48 C +ATOM 854 CE1 PHE A 110 5.760 46.531 153.197 1.00 22.86 C +ATOM 855 CE2 PHE A 110 6.749 44.699 154.309 1.00 19.28 C +ATOM 856 CZ PHE A 110 6.069 45.882 154.368 1.00 19.62 C +ATOM 857 N ARG A 111 6.290 43.875 147.392 1.00 20.03 N +ATOM 858 CA ARG A 111 6.506 43.472 146.021 1.00 21.21 C +ATOM 859 C ARG A 111 7.458 44.400 145.280 1.00 20.70 C +ATOM 860 O ARG A 111 7.651 44.244 144.075 1.00 20.30 O +ATOM 861 CB ARG A 111 5.176 43.497 145.266 1.00 22.64 C +ATOM 862 CG ARG A 111 4.102 42.564 145.820 1.00 23.47 C +ATOM 863 CD ARG A 111 4.537 41.138 145.632 1.00 20.75 C +ATOM 864 NE ARG A 111 3.551 40.166 146.107 1.00 25.27 N +ATOM 865 CZ ARG A 111 3.557 39.576 147.297 1.00 22.38 C +ATOM 866 NH1 ARG A 111 4.465 39.868 148.207 1.00 20.77 N +ATOM 867 NH2 ARG A 111 2.641 38.694 147.578 1.00 23.17 N +ATOM 868 N LYS A 112 8.057 45.371 145.983 1.00 20.04 N +ATOM 869 CA LYS A 112 8.919 46.349 145.326 1.00 20.36 C +ATOM 870 C LYS A 112 10.135 46.619 146.188 1.00 19.63 C +ATOM 871 O LYS A 112 9.963 47.022 147.312 1.00 19.00 O +ATOM 872 CB LYS A 112 8.126 47.627 145.089 1.00 21.06 C +ATOM 873 CG LYS A 112 7.178 47.548 143.939 1.00 23.81 C +ATOM 874 CD LYS A 112 6.250 48.690 143.907 1.00 33.14 C +ATOM 875 CE LYS A 112 5.047 48.357 143.034 1.00 40.08 C +ATOM 876 NZ LYS A 112 4.025 49.438 143.041 1.00 42.85 N +ATOM 877 N LEU A 113 11.342 46.379 145.651 1.00 18.70 N +ATOM 878 CA LEU A 113 12.594 46.520 146.387 1.00 18.48 C +ATOM 879 C LEU A 113 13.651 47.161 145.515 1.00 18.26 C +ATOM 880 O LEU A 113 13.839 46.728 144.364 1.00 19.06 O +ATOM 881 CB LEU A 113 13.120 45.167 146.806 1.00 18.72 C +ATOM 882 CG LEU A 113 14.447 45.032 147.543 1.00 17.96 C +ATOM 883 CD1 LEU A 113 14.385 45.771 148.915 1.00 14.19 C +ATOM 884 CD2 LEU A 113 14.770 43.514 147.711 1.00 19.11 C +ATOM 885 N LEU A 114 14.325 48.171 146.064 1.00 17.81 N +ATOM 886 CA LEU A 114 15.556 48.719 145.470 1.00 17.69 C +ATOM 887 C LEU A 114 16.737 48.384 146.354 1.00 17.25 C +ATOM 888 O LEU A 114 16.739 48.725 147.526 1.00 19.11 O +ATOM 889 CB LEU A 114 15.487 50.247 145.299 1.00 16.73 C +ATOM 890 CG LEU A 114 16.826 50.968 144.908 1.00 21.32 C +ATOM 891 CD1 LEU A 114 17.192 50.712 143.445 1.00 12.62 C +ATOM 892 CD2 LEU A 114 16.753 52.437 145.194 1.00 16.96 C +ATOM 893 N ILE A 115 17.772 47.792 145.776 1.00 17.39 N +ATOM 894 CA ILE A 115 19.033 47.587 146.460 1.00 17.68 C +ATOM 895 C ILE A 115 19.904 48.789 146.135 1.00 18.21 C +ATOM 896 O ILE A 115 20.266 49.001 144.992 1.00 18.11 O +ATOM 897 CB ILE A 115 19.740 46.276 146.004 1.00 17.56 C +ATOM 898 CG1 ILE A 115 18.770 45.088 146.032 1.00 18.15 C +ATOM 899 CG2 ILE A 115 21.068 46.046 146.816 1.00 13.50 C +ATOM 900 CD1 ILE A 115 19.354 43.797 145.470 1.00 15.54 C +ATOM 901 N LEU A 116 20.264 49.585 147.135 1.00 18.11 N +ATOM 902 CA LEU A 116 21.043 50.797 146.875 1.00 17.00 C +ATOM 903 C LEU A 116 22.409 50.555 147.456 1.00 17.42 C +ATOM 904 O LEU A 116 22.598 50.581 148.651 1.00 17.61 O +ATOM 905 CB LEU A 116 20.413 52.054 147.469 1.00 16.87 C +ATOM 906 CG LEU A 116 21.169 53.364 147.177 1.00 16.53 C +ATOM 907 CD1 LEU A 116 21.091 53.758 145.659 1.00 12.65 C +ATOM 908 CD2 LEU A 116 20.608 54.464 148.008 1.00 16.10 C +ATOM 909 N SER A 117 23.367 50.305 146.570 1.00 18.45 N +ATOM 910 CA SER A 117 24.693 49.882 146.920 1.00 18.38 C +ATOM 911 C SER A 117 25.636 51.042 147.117 1.00 20.38 C +ATOM 912 O SER A 117 25.529 52.050 146.450 1.00 20.62 O +ATOM 913 CB SER A 117 25.259 48.953 145.820 1.00 17.74 C +ATOM 914 OG SER A 117 26.554 48.496 146.142 1.00 18.54 O +ATOM 915 N GLY A 118 26.574 50.848 148.047 1.00 20.72 N +ATOM 916 CA GLY A 118 27.615 51.774 148.344 1.00 20.35 C +ATOM 917 C GLY A 118 28.971 51.250 147.952 1.00 19.98 C +ATOM 918 O GLY A 118 29.930 51.984 148.059 1.00 21.28 O +ATOM 919 N HIS A 119 29.041 50.009 147.470 1.00 19.32 N +ATOM 920 CA HIS A 119 30.293 49.332 147.158 1.00 21.18 C +ATOM 921 C HIS A 119 30.230 48.800 145.717 1.00 22.71 C +ATOM 922 O HIS A 119 29.381 47.965 145.352 1.00 23.80 O +ATOM 923 CB HIS A 119 30.532 48.190 148.154 1.00 20.34 C +ATOM 924 CG HIS A 119 31.777 47.387 147.909 1.00 20.81 C +ATOM 925 ND1 HIS A 119 33.034 47.948 147.884 1.00 25.60 N +ATOM 926 CD2 HIS A 119 31.965 46.050 147.752 1.00 23.03 C +ATOM 927 CE1 HIS A 119 33.941 47.000 147.700 1.00 24.31 C +ATOM 928 NE2 HIS A 119 33.316 45.838 147.611 1.00 25.12 N +ATOM 929 N GLY A 120 31.128 49.316 144.886 1.00 22.95 N +ATOM 930 CA GLY A 120 31.133 48.959 143.479 1.00 23.09 C +ATOM 931 C GLY A 120 31.560 47.539 143.233 1.00 23.28 C +ATOM 932 O GLY A 120 31.295 47.017 142.171 1.00 24.68 O +ATOM 933 N GLY A 121 32.244 46.931 144.197 1.00 23.65 N +ATOM 934 CA GLY A 121 32.584 45.505 144.157 1.00 22.87 C +ATOM 935 C GLY A 121 31.367 44.602 144.151 1.00 22.90 C +ATOM 936 O GLY A 121 31.450 43.448 143.725 1.00 23.50 O +ATOM 937 N ASN A 122 30.237 45.115 144.639 1.00 22.79 N +ATOM 938 CA ASN A 122 28.973 44.363 144.644 1.00 21.62 C +ATOM 939 C ASN A 122 28.278 44.368 143.290 1.00 22.25 C +ATOM 940 O ASN A 122 28.103 45.418 142.642 1.00 21.81 O +ATOM 941 CB ASN A 122 27.993 44.952 145.654 1.00 22.48 C +ATOM 942 CG ASN A 122 28.497 44.880 147.078 1.00 21.65 C +ATOM 943 OD1 ASN A 122 29.260 43.983 147.424 1.00 18.28 O +ATOM 944 ND2 ASN A 122 28.077 45.844 147.908 1.00 14.87 N +ATOM 945 N ASN A 123 27.832 43.188 142.901 1.00 20.82 N +ATOM 946 CA ASN A 123 27.130 42.994 141.646 1.00 22.67 C +ATOM 947 C ASN A 123 25.877 42.157 141.935 1.00 20.91 C +ATOM 948 O ASN A 123 25.970 41.091 142.522 1.00 21.51 O +ATOM 949 CB ASN A 123 28.080 42.282 140.690 1.00 25.44 C +ATOM 950 CG ASN A 123 29.277 43.162 140.273 1.00 29.58 C +ATOM 951 OD1 ASN A 123 29.090 44.174 139.599 1.00 39.76 O +ATOM 952 ND2 ASN A 123 30.500 42.758 140.649 1.00 31.47 N +ATOM 953 N PHE A 124 24.722 42.661 141.552 1.00 19.93 N +ATOM 954 CA PHE A 124 23.445 42.041 141.914 1.00 18.89 C +ATOM 955 C PHE A 124 22.592 41.573 140.740 1.00 18.87 C +ATOM 956 O PHE A 124 21.530 40.986 140.957 1.00 19.57 O +ATOM 957 CB PHE A 124 22.626 42.989 142.772 1.00 18.03 C +ATOM 958 CG PHE A 124 23.304 43.417 144.057 1.00 19.17 C +ATOM 959 CD1 PHE A 124 23.327 42.587 145.175 1.00 22.40 C +ATOM 960 CD2 PHE A 124 23.882 44.668 144.159 1.00 20.20 C +ATOM 961 CE1 PHE A 124 23.957 43.003 146.368 1.00 14.49 C +ATOM 962 CE2 PHE A 124 24.501 45.083 145.320 1.00 20.04 C +ATOM 963 CZ PHE A 124 24.526 44.258 146.429 1.00 20.74 C +ATOM 964 N LYS A 125 23.063 41.753 139.513 1.00 19.10 N +ATOM 965 CA LYS A 125 22.255 41.418 138.331 1.00 19.00 C +ATOM 966 C LYS A 125 21.920 39.940 138.257 1.00 18.70 C +ATOM 967 O LYS A 125 20.773 39.597 138.019 1.00 20.27 O +ATOM 968 CB LYS A 125 22.953 41.889 137.048 1.00 20.06 C +ATOM 969 CG LYS A 125 23.083 43.417 136.965 1.00 19.98 C +ATOM 970 CD LYS A 125 23.604 43.897 135.619 1.00 22.94 C +ATOM 971 CE LYS A 125 23.702 45.406 135.570 1.00 24.80 C +ATOM 972 NZ LYS A 125 24.079 45.845 134.193 1.00 32.11 N +ATOM 973 N GLY A 126 22.902 39.083 138.516 1.00 17.76 N +ATOM 974 CA GLY A 126 22.709 37.628 138.579 1.00 18.20 C +ATOM 975 C GLY A 126 21.686 37.176 139.607 1.00 19.23 C +ATOM 976 O GLY A 126 20.811 36.368 139.314 1.00 17.81 O +HETATM 977 N MSE A 127 21.771 37.765 140.798 1.00 19.77 N +HETATM 978 CA MSE A 127 20.874 37.447 141.884 1.00 19.64 C +HETATM 979 C MSE A 127 19.484 37.832 141.513 1.00 18.26 C +HETATM 980 O MSE A 127 18.552 37.070 141.774 1.00 17.04 O +HETATM 981 CB MSE A 127 21.247 38.217 143.150 1.00 20.81 C +HETATM 982 CG MSE A 127 22.595 37.893 143.667 1.00 22.29 C +HETATM 983 SE MSE A 127 23.033 38.772 145.335 0.75 22.10 SE +HETATM 984 CE MSE A 127 24.871 38.594 145.201 1.00 13.61 C +ATOM 985 N ILE A 128 19.361 39.038 140.942 1.00 18.24 N +ATOM 986 CA ILE A 128 18.078 39.589 140.559 1.00 18.34 C +ATOM 987 C ILE A 128 17.468 38.707 139.479 1.00 18.19 C +ATOM 988 O ILE A 128 16.287 38.375 139.559 1.00 18.42 O +ATOM 989 CB ILE A 128 18.151 41.099 140.128 1.00 16.86 C +ATOM 990 CG1 ILE A 128 18.278 42.013 141.345 1.00 20.34 C +ATOM 991 CG2 ILE A 128 16.900 41.503 139.335 1.00 18.85 C +ATOM 992 CD1 ILE A 128 18.716 43.518 141.048 1.00 14.82 C +ATOM 993 N ARG A 129 18.261 38.264 138.508 1.00 18.25 N +ATOM 994 CA ARG A 129 17.732 37.370 137.475 1.00 18.27 C +ATOM 995 C ARG A 129 17.141 36.094 138.045 1.00 19.15 C +ATOM 996 O ARG A 129 15.997 35.723 137.726 1.00 20.22 O +ATOM 997 CB ARG A 129 18.785 37.030 136.418 1.00 19.19 C +ATOM 998 CG ARG A 129 18.961 38.111 135.390 1.00 19.07 C +ATOM 999 CD ARG A 129 19.871 37.733 134.268 1.00 21.86 C +ATOM 1000 NE ARG A 129 19.774 38.708 133.186 1.00 20.58 N +ATOM 1001 CZ ARG A 129 20.582 39.760 133.002 1.00 22.36 C +ATOM 1002 NH1 ARG A 129 21.634 39.995 133.771 1.00 21.08 N +ATOM 1003 NH2 ARG A 129 20.356 40.566 131.985 1.00 22.17 N +ATOM 1004 N ASP A 130 17.905 35.421 138.894 1.00 19.17 N +ATOM 1005 CA ASP A 130 17.453 34.172 139.505 1.00 19.08 C +ATOM 1006 C ASP A 130 16.233 34.344 140.416 1.00 19.57 C +ATOM 1007 O ASP A 130 15.347 33.502 140.404 1.00 20.67 O +ATOM 1008 CB ASP A 130 18.616 33.520 140.262 1.00 20.52 C +ATOM 1009 CG ASP A 130 19.738 33.085 139.328 1.00 24.93 C +ATOM 1010 OD1 ASP A 130 19.434 32.883 138.116 1.00 19.98 O +ATOM 1011 OD2 ASP A 130 20.895 32.952 139.808 1.00 21.69 O +ATOM 1012 N LEU A 131 16.163 35.457 141.154 1.00 19.47 N +ATOM 1013 CA LEU A 131 15.004 35.750 142.012 1.00 20.41 C +ATOM 1014 C LEU A 131 13.761 36.116 141.223 1.00 20.51 C +ATOM 1015 O LEU A 131 12.648 35.873 141.688 1.00 21.19 O +ATOM 1016 CB LEU A 131 15.344 36.846 143.037 1.00 21.72 C +ATOM 1017 CG LEU A 131 16.203 36.396 144.211 1.00 20.25 C +ATOM 1018 CD1 LEU A 131 16.670 37.607 144.924 1.00 21.38 C +ATOM 1019 CD2 LEU A 131 15.420 35.420 145.192 1.00 16.78 C +ATOM 1020 N ALA A 132 13.948 36.643 140.008 1.00 21.19 N +ATOM 1021 CA ALA A 132 12.843 36.968 139.114 1.00 21.71 C +ATOM 1022 C ALA A 132 12.048 35.730 138.773 1.00 22.11 C +ATOM 1023 O ALA A 132 10.850 35.781 138.659 1.00 24.24 O +ATOM 1024 CB ALA A 132 13.361 37.649 137.843 1.00 21.35 C +ATOM 1025 N PHE A 133 12.721 34.604 138.631 1.00 24.15 N +ATOM 1026 CA PHE A 133 12.069 33.362 138.301 1.00 25.38 C +ATOM 1027 C PHE A 133 11.417 32.706 139.534 1.00 26.44 C +ATOM 1028 O PHE A 133 10.348 32.102 139.431 1.00 27.56 O +ATOM 1029 CB PHE A 133 13.093 32.435 137.635 1.00 25.59 C +ATOM 1030 CG PHE A 133 13.533 32.911 136.242 1.00 28.19 C +ATOM 1031 CD1 PHE A 133 12.591 33.116 135.225 1.00 28.04 C +ATOM 1032 CD2 PHE A 133 14.862 33.134 135.947 1.00 24.16 C +ATOM 1033 CE1 PHE A 133 12.978 33.539 133.954 1.00 25.68 C +ATOM 1034 CE2 PHE A 133 15.251 33.573 134.679 1.00 26.22 C +ATOM 1035 CZ PHE A 133 14.310 33.764 133.680 1.00 24.55 C +ATOM 1036 N GLU A 134 12.054 32.849 140.695 1.00 27.12 N +ATOM 1037 CA GLU A 134 11.551 32.360 141.984 1.00 30.03 C +ATOM 1038 C GLU A 134 10.333 33.169 142.482 1.00 26.07 C +ATOM 1039 O GLU A 134 9.370 32.602 143.013 1.00 25.30 O +ATOM 1040 CB GLU A 134 12.673 32.450 143.027 1.00 28.74 C +ATOM 1041 CG GLU A 134 13.273 31.160 143.565 1.00 41.61 C +ATOM 1042 CD GLU A 134 14.587 31.443 144.362 1.00 45.00 C +ATOM 1043 OE1 GLU A 134 15.606 31.806 143.698 1.00 60.18 O +ATOM 1044 OE2 GLU A 134 14.606 31.317 145.630 1.00 57.57 O +ATOM 1045 N TYR A 135 10.385 34.491 142.307 1.00 23.85 N +ATOM 1046 CA TYR A 135 9.326 35.412 142.743 1.00 21.99 C +ATOM 1047 C TYR A 135 8.980 36.373 141.611 1.00 23.15 C +ATOM 1048 O TYR A 135 9.464 37.527 141.585 1.00 20.48 O +ATOM 1049 CB TYR A 135 9.783 36.233 143.953 1.00 21.75 C +ATOM 1050 CG TYR A 135 10.290 35.427 145.136 1.00 23.21 C +ATOM 1051 CD1 TYR A 135 9.411 34.927 146.082 1.00 22.98 C +ATOM 1052 CD2 TYR A 135 11.643 35.196 145.312 1.00 21.46 C +ATOM 1053 CE1 TYR A 135 9.866 34.210 147.174 1.00 24.89 C +ATOM 1054 CE2 TYR A 135 12.105 34.481 146.388 1.00 19.55 C +ATOM 1055 CZ TYR A 135 11.204 33.995 147.317 1.00 23.64 C +ATOM 1056 OH TYR A 135 11.636 33.274 148.384 1.00 22.13 O +ATOM 1057 N PRO A 136 8.121 35.919 140.671 1.00 24.89 N +ATOM 1058 CA PRO A 136 7.861 36.728 139.479 1.00 25.68 C +ATOM 1059 C PRO A 136 7.049 37.994 139.737 1.00 25.73 C +ATOM 1060 O PRO A 136 7.057 38.898 138.901 1.00 26.81 O +ATOM 1061 CB PRO A 136 7.127 35.766 138.526 1.00 25.37 C +ATOM 1062 CG PRO A 136 6.576 34.678 139.403 1.00 27.99 C +ATOM 1063 CD PRO A 136 7.376 34.637 140.674 1.00 26.39 C +ATOM 1064 N ASP A 137 6.377 38.085 140.881 1.00 25.71 N +ATOM 1065 CA ASP A 137 5.591 39.277 141.180 1.00 25.75 C +ATOM 1066 C ASP A 137 6.354 40.282 142.053 1.00 24.57 C +ATOM 1067 O ASP A 137 5.774 41.265 142.536 1.00 23.60 O +ATOM 1068 CB ASP A 137 4.219 38.896 141.777 1.00 27.66 C +ATOM 1069 CG ASP A 137 4.316 38.090 143.088 1.00 32.98 C +ATOM 1070 OD1 ASP A 137 5.417 37.597 143.466 1.00 34.91 O +ATOM 1071 OD2 ASP A 137 3.247 37.934 143.734 1.00 42.38 O +ATOM 1072 N PHE A 138 7.656 40.051 142.234 1.00 22.81 N +ATOM 1073 CA PHE A 138 8.474 40.851 143.141 1.00 21.25 C +ATOM 1074 C PHE A 138 9.453 41.624 142.261 1.00 21.27 C +ATOM 1075 O PHE A 138 10.324 41.035 141.643 1.00 21.94 O +ATOM 1076 CB PHE A 138 9.215 39.947 144.181 1.00 23.15 C +ATOM 1077 CG PHE A 138 9.794 40.702 145.381 1.00 22.95 C +ATOM 1078 CD1 PHE A 138 11.005 41.361 145.288 1.00 32.73 C +ATOM 1079 CD2 PHE A 138 9.136 40.740 146.598 1.00 25.52 C +ATOM 1080 CE1 PHE A 138 11.544 42.084 146.408 1.00 29.55 C +ATOM 1081 CE2 PHE A 138 9.653 41.473 147.693 1.00 23.47 C +ATOM 1082 CZ PHE A 138 10.862 42.135 147.577 1.00 23.45 C +ATOM 1083 N LEU A 139 9.285 42.934 142.188 1.00 20.98 N +ATOM 1084 CA LEU A 139 10.221 43.794 141.478 1.00 21.66 C +ATOM 1085 C LEU A 139 11.444 44.139 142.334 1.00 21.32 C +ATOM 1086 O LEU A 139 11.312 44.700 143.419 1.00 21.57 O +ATOM 1087 CB LEU A 139 9.540 45.097 141.088 1.00 20.87 C +ATOM 1088 CG LEU A 139 10.309 46.125 140.262 1.00 22.25 C +ATOM 1089 CD1 LEU A 139 10.668 45.515 138.914 1.00 19.47 C +ATOM 1090 CD2 LEU A 139 9.481 47.408 140.107 1.00 21.09 C +ATOM 1091 N ILE A 140 12.625 43.803 141.824 1.00 20.28 N +ATOM 1092 CA ILE A 140 13.887 44.215 142.450 1.00 19.39 C +ATOM 1093 C ILE A 140 14.728 45.031 141.442 1.00 19.47 C +ATOM 1094 O ILE A 140 15.030 44.526 140.323 1.00 18.93 O +ATOM 1095 CB ILE A 140 14.725 42.990 142.912 1.00 21.89 C +ATOM 1096 CG1 ILE A 140 13.863 41.966 143.652 1.00 20.32 C +ATOM 1097 CG2 ILE A 140 15.876 43.429 143.765 1.00 14.95 C +ATOM 1098 CD1 ILE A 140 14.651 40.837 144.274 1.00 17.07 C +ATOM 1099 N ALA A 141 15.081 46.264 141.826 1.00 18.92 N +ATOM 1100 CA ALA A 141 16.054 47.100 141.093 1.00 18.31 C +ATOM 1101 C ALA A 141 17.313 47.240 141.904 1.00 17.88 C +ATOM 1102 O ALA A 141 17.300 47.042 143.094 1.00 18.70 O +ATOM 1103 CB ALA A 141 15.477 48.505 140.767 1.00 16.32 C +ATOM 1104 N ALA A 142 18.411 47.559 141.247 1.00 17.48 N +ATOM 1105 CA ALA A 142 19.666 47.824 141.920 1.00 17.94 C +ATOM 1106 C ALA A 142 20.337 49.038 141.307 1.00 19.14 C +ATOM 1107 O ALA A 142 20.232 49.265 140.113 1.00 19.61 O +ATOM 1108 CB ALA A 142 20.584 46.624 141.832 1.00 19.06 C +ATOM 1109 N ALA A 143 21.019 49.816 142.147 1.00 20.15 N +ATOM 1110 CA ALA A 143 21.813 50.962 141.723 1.00 20.71 C +ATOM 1111 C ALA A 143 22.973 51.174 142.689 1.00 20.58 C +ATOM 1112 O ALA A 143 22.853 50.890 143.883 1.00 19.55 O +ATOM 1113 CB ALA A 143 20.951 52.232 141.664 1.00 19.31 C +ATOM 1114 N ASN A 144 24.088 51.689 142.184 1.00 20.34 N +ATOM 1115 CA ASN A 144 25.105 52.242 143.049 1.00 21.65 C +ATOM 1116 C ASN A 144 24.729 53.702 143.276 1.00 21.56 C +ATOM 1117 O ASN A 144 24.496 54.401 142.293 1.00 21.84 O +ATOM 1118 CB ASN A 144 26.485 52.208 142.394 1.00 22.12 C +ATOM 1119 CG ASN A 144 27.096 50.803 142.341 1.00 27.33 C +ATOM 1120 OD1 ASN A 144 27.314 50.161 143.377 1.00 25.25 O +ATOM 1121 ND2 ASN A 144 27.444 50.359 141.133 1.00 21.47 N +ATOM 1122 N TRP A 145 24.747 54.179 144.527 1.00 19.62 N +ATOM 1123 CA TRP A 145 24.402 55.572 144.805 1.00 20.85 C +ATOM 1124 C TRP A 145 25.252 56.550 143.990 1.00 20.72 C +ATOM 1125 O TRP A 145 24.734 57.541 143.495 1.00 21.18 O +ATOM 1126 CB TRP A 145 24.405 55.917 146.340 1.00 20.95 C +ATOM 1127 CG TRP A 145 25.750 56.041 146.954 1.00 20.36 C +ATOM 1128 CD1 TRP A 145 26.406 55.083 147.635 1.00 17.53 C +ATOM 1129 CD2 TRP A 145 26.616 57.198 146.935 1.00 21.35 C +ATOM 1130 NE1 TRP A 145 27.625 55.547 148.053 1.00 21.16 N +ATOM 1131 CE2 TRP A 145 27.789 56.843 147.625 1.00 19.54 C +ATOM 1132 CE3 TRP A 145 26.516 58.497 146.380 1.00 22.48 C +ATOM 1133 CZ2 TRP A 145 28.874 57.739 147.794 1.00 18.80 C +ATOM 1134 CZ3 TRP A 145 27.579 59.393 146.555 1.00 22.75 C +ATOM 1135 CH2 TRP A 145 28.750 59.006 147.267 1.00 21.83 C +ATOM 1136 N PHE A 146 26.532 56.231 143.817 1.00 21.52 N +ATOM 1137 CA PHE A 146 27.503 57.109 143.150 1.00 21.40 C +ATOM 1138 C PHE A 146 27.481 57.090 141.615 1.00 22.07 C +ATOM 1139 O PHE A 146 28.288 57.782 140.979 1.00 23.77 O +ATOM 1140 CB PHE A 146 28.935 56.787 143.633 1.00 22.40 C +ATOM 1141 CG PHE A 146 29.274 55.340 143.561 1.00 23.66 C +ATOM 1142 CD1 PHE A 146 29.747 54.780 142.382 1.00 25.39 C +ATOM 1143 CD2 PHE A 146 29.091 54.519 144.652 1.00 23.27 C +ATOM 1144 CE1 PHE A 146 30.038 53.454 142.311 1.00 27.07 C +ATOM 1145 CE2 PHE A 146 29.378 53.164 144.578 1.00 25.68 C +ATOM 1146 CZ PHE A 146 29.839 52.628 143.421 1.00 27.02 C +ATOM 1147 N GLU A 147 26.570 56.311 141.024 1.00 21.97 N +ATOM 1148 CA GLU A 147 26.350 56.292 139.586 1.00 21.65 C +ATOM 1149 C GLU A 147 25.029 56.958 139.220 1.00 22.35 C +ATOM 1150 O GLU A 147 24.736 57.147 138.023 1.00 24.23 O +ATOM 1151 CB GLU A 147 26.363 54.828 139.071 1.00 21.92 C +ATOM 1152 CG GLU A 147 27.730 54.150 139.145 1.00 22.85 C +ATOM 1153 CD GLU A 147 27.735 52.660 138.766 1.00 24.49 C +ATOM 1154 OE1 GLU A 147 26.680 51.992 138.737 1.00 29.60 O +ATOM 1155 OE2 GLU A 147 28.828 52.134 138.534 1.00 33.41 O +ATOM 1156 N VAL A 148 24.214 57.302 140.217 1.00 22.94 N +ATOM 1157 CA VAL A 148 22.945 57.981 139.964 1.00 22.41 C +ATOM 1158 C VAL A 148 23.196 59.333 139.255 1.00 23.56 C +ATOM 1159 O VAL A 148 22.476 59.691 138.334 1.00 22.83 O +ATOM 1160 CB VAL A 148 22.113 58.139 141.277 1.00 25.72 C +ATOM 1161 CG1 VAL A 148 20.882 59.014 141.056 1.00 17.87 C +ATOM 1162 CG2 VAL A 148 21.728 56.743 141.857 1.00 19.39 C +ATOM 1163 N VAL A 149 24.218 60.061 139.679 1.00 23.39 N +ATOM 1164 CA VAL A 149 24.663 61.295 139.016 1.00 22.82 C +ATOM 1165 C VAL A 149 26.169 61.140 138.922 1.00 24.39 C +ATOM 1166 O VAL A 149 26.824 60.731 139.890 1.00 24.03 O +ATOM 1167 CB VAL A 149 24.342 62.607 139.833 1.00 23.53 C +ATOM 1168 CG1 VAL A 149 25.084 63.850 139.256 1.00 23.85 C +ATOM 1169 CG2 VAL A 149 22.851 62.889 139.905 1.00 18.56 C +ATOM 1170 N SER A 150 26.726 61.488 137.767 1.00 27.31 N +ATOM 1171 CA SER A 150 28.150 61.334 137.545 1.00 29.63 C +ATOM 1172 C SER A 150 28.862 62.376 138.361 1.00 29.74 C +ATOM 1173 O SER A 150 28.415 63.542 138.414 1.00 30.19 O +ATOM 1174 CB SER A 150 28.517 61.482 136.062 1.00 30.96 C +ATOM 1175 OG SER A 150 29.927 61.583 135.939 1.00 32.95 O +ATOM 1176 N PRO A 151 29.968 61.972 138.996 1.00 31.75 N +ATOM 1177 CA PRO A 151 30.794 62.884 139.800 1.00 32.79 C +ATOM 1178 C PRO A 151 31.666 63.819 138.980 1.00 34.51 C +ATOM 1179 O PRO A 151 32.195 64.797 139.524 1.00 34.36 O +ATOM 1180 CB PRO A 151 31.675 61.936 140.624 1.00 32.84 C +ATOM 1181 CG PRO A 151 31.777 60.694 139.834 1.00 33.54 C +ATOM 1182 CD PRO A 151 30.504 60.592 138.990 1.00 33.39 C +ATOM 1183 N LYS A 152 31.831 63.527 137.693 1.00 37.98 N +ATOM 1184 CA LYS A 152 32.613 64.399 136.833 1.00 40.99 C +ATOM 1185 C LYS A 152 31.990 65.804 136.894 1.00 40.39 C +ATOM 1186 O LYS A 152 30.782 65.987 136.686 1.00 39.73 O +ATOM 1187 CB LYS A 152 32.654 63.872 135.390 1.00 44.73 C +ATOM 1188 CG LYS A 152 32.975 62.365 135.216 1.00 49.52 C +ATOM 1189 CD LYS A 152 34.207 61.880 135.993 1.00 57.90 C +ATOM 1190 CE LYS A 152 34.303 60.351 135.922 1.00 59.59 C +ATOM 1191 NZ LYS A 152 35.722 59.895 135.877 1.00 67.25 N +ATOM 1192 N GLY A 153 32.800 66.788 137.252 1.00 38.67 N +ATOM 1193 CA GLY A 153 32.301 68.160 137.347 1.00 37.20 C +ATOM 1194 C GLY A 153 31.771 68.563 138.711 1.00 35.03 C +ATOM 1195 O GLY A 153 31.518 69.733 138.941 1.00 37.89 O +ATOM 1196 N TYR A 154 31.588 67.606 139.620 1.00 29.49 N +ATOM 1197 CA TYR A 154 31.333 67.922 141.051 1.00 26.65 C +ATOM 1198 C TYR A 154 32.656 67.971 141.850 1.00 25.25 C +ATOM 1199 O TYR A 154 32.779 68.654 142.872 1.00 26.83 O +ATOM 1200 CB TYR A 154 30.320 66.906 141.636 1.00 25.01 C +ATOM 1201 CG TYR A 154 28.889 67.191 141.219 1.00 25.06 C +ATOM 1202 CD1 TYR A 154 28.083 68.041 141.981 1.00 23.56 C +ATOM 1203 CD2 TYR A 154 28.346 66.658 140.060 1.00 25.05 C +ATOM 1204 CE1 TYR A 154 26.799 68.313 141.630 1.00 23.63 C +ATOM 1205 CE2 TYR A 154 27.021 66.957 139.691 1.00 26.02 C +ATOM 1206 CZ TYR A 154 26.264 67.783 140.494 1.00 23.93 C +ATOM 1207 OH TYR A 154 24.950 68.117 140.189 1.00 30.19 O +ATOM 1208 N PHE A 155 33.663 67.273 141.363 1.00 25.40 N +ATOM 1209 CA PHE A 155 34.908 67.085 142.113 1.00 26.79 C +ATOM 1210 C PHE A 155 36.123 67.314 141.217 1.00 29.49 C +ATOM 1211 O PHE A 155 36.075 67.059 140.003 1.00 31.38 O +ATOM 1212 CB PHE A 155 34.939 65.666 142.686 1.00 27.86 C +ATOM 1213 CG PHE A 155 33.775 65.378 143.577 1.00 24.70 C +ATOM 1214 CD1 PHE A 155 33.711 65.949 144.849 1.00 15.79 C +ATOM 1215 CD2 PHE A 155 32.701 64.639 143.120 1.00 21.84 C +ATOM 1216 CE1 PHE A 155 32.604 65.739 145.678 1.00 22.45 C +ATOM 1217 CE2 PHE A 155 31.580 64.450 143.934 1.00 26.61 C +ATOM 1218 CZ PHE A 155 31.533 64.990 145.221 1.00 22.54 C +ATOM 1219 N GLU A 156 37.213 67.777 141.817 1.00 31.91 N +ATOM 1220 CA GLU A 156 38.402 68.168 141.060 1.00 36.00 C +ATOM 1221 C GLU A 156 39.319 66.985 140.751 1.00 34.22 C +ATOM 1222 O GLU A 156 39.841 66.881 139.646 1.00 35.10 O +ATOM 1223 CB GLU A 156 39.154 69.264 141.815 1.00 35.88 C +ATOM 1224 CG GLU A 156 38.252 70.465 142.180 1.00 44.20 C +ATOM 1225 CD GLU A 156 39.027 71.647 142.766 1.00 44.99 C +ATOM 1226 OE1 GLU A 156 39.808 72.274 142.010 1.00 59.02 O +ATOM 1227 OE2 GLU A 156 38.860 71.944 143.980 1.00 55.76 O +ATOM 1228 N ALA A 157 39.517 66.085 141.716 1.00 35.23 N +ATOM 1229 CA ALA A 157 40.411 64.931 141.507 1.00 34.85 C +ATOM 1230 C ALA A 157 40.029 64.124 140.259 1.00 35.88 C +ATOM 1231 O ALA A 157 38.872 63.768 140.042 1.00 35.30 O +ATOM 1232 CB ALA A 157 40.433 64.031 142.726 1.00 34.56 C +ATOM 1233 N GLU A 158 41.036 63.841 139.448 1.00 37.74 N +ATOM 1234 CA GLU A 158 40.851 63.133 138.195 1.00 41.13 C +ATOM 1235 C GLU A 158 40.589 61.666 138.519 1.00 38.06 C +ATOM 1236 O GLU A 158 39.575 61.104 138.088 1.00 38.49 O +ATOM 1237 CB GLU A 158 42.120 63.316 137.347 1.00 42.55 C +ATOM 1238 CG GLU A 158 42.080 62.860 135.884 1.00 51.47 C +ATOM 1239 CD GLU A 158 43.520 62.762 135.302 1.00 50.23 C +ATOM 1240 OE1 GLU A 158 44.067 63.813 134.866 1.00 56.69 O +ATOM 1241 OE2 GLU A 158 44.102 61.639 135.318 1.00 59.46 O +ATOM 1242 N ILE A 159 41.476 61.061 139.315 1.00 35.56 N +ATOM 1243 CA ILE A 159 41.244 59.702 139.809 1.00 34.14 C +ATOM 1244 C ILE A 159 40.542 59.761 141.162 1.00 32.77 C +ATOM 1245 O ILE A 159 41.013 60.418 142.091 1.00 31.26 O +ATOM 1246 CB ILE A 159 42.534 58.882 139.940 1.00 34.95 C +ATOM 1247 CG1 ILE A 159 43.302 58.823 138.613 1.00 35.24 C +ATOM 1248 CG2 ILE A 159 42.213 57.458 140.344 1.00 31.10 C +ATOM 1249 CD1 ILE A 159 44.526 57.904 138.696 1.00 35.11 C +ATOM 1250 N ASP A 160 39.430 59.044 141.260 1.00 31.41 N +ATOM 1251 CA ASP A 160 38.547 59.075 142.425 1.00 32.43 C +ATOM 1252 C ASP A 160 37.694 57.784 142.438 1.00 32.13 C +ATOM 1253 O ASP A 160 36.500 57.812 142.127 1.00 32.78 O +ATOM 1254 CB ASP A 160 37.662 60.322 142.343 1.00 32.72 C +ATOM 1255 CG ASP A 160 36.660 60.431 143.496 1.00 35.99 C +ATOM 1256 OD1 ASP A 160 36.728 59.628 144.453 1.00 37.28 O +ATOM 1257 OD2 ASP A 160 35.800 61.342 143.435 1.00 39.55 O +ATOM 1258 N ASP A 161 38.317 56.660 142.792 1.00 31.67 N +ATOM 1259 CA ASP A 161 37.664 55.337 142.685 1.00 30.74 C +ATOM 1260 C ASP A 161 37.243 54.755 144.053 1.00 29.58 C +ATOM 1261 O ASP A 161 36.257 54.021 144.154 1.00 30.63 O +ATOM 1262 CB ASP A 161 38.604 54.336 141.966 1.00 32.19 C +ATOM 1263 CG ASP A 161 38.648 54.524 140.435 1.00 36.30 C +ATOM 1264 OD1 ASP A 161 37.756 55.184 139.869 1.00 47.07 O +ATOM 1265 OD2 ASP A 161 39.565 53.975 139.785 1.00 43.78 O +ATOM 1266 N HIS A 162 38.005 55.049 145.096 1.00 26.44 N +ATOM 1267 CA HIS A 162 37.743 54.493 146.419 1.00 23.96 C +ATOM 1268 C HIS A 162 38.326 55.362 147.497 1.00 22.51 C +ATOM 1269 O HIS A 162 39.564 55.450 147.622 1.00 21.33 O +ATOM 1270 CB HIS A 162 38.375 53.107 146.545 1.00 25.45 C +ATOM 1271 CG HIS A 162 38.263 52.521 147.917 1.00 22.95 C +ATOM 1272 ND1 HIS A 162 37.056 52.155 148.470 1.00 24.86 N +ATOM 1273 CD2 HIS A 162 39.209 52.211 148.837 1.00 24.39 C +ATOM 1274 CE1 HIS A 162 37.270 51.657 149.679 1.00 27.47 C +ATOM 1275 NE2 HIS A 162 38.563 51.685 149.928 1.00 14.93 N +ATOM 1276 N ALA A 163 37.441 55.964 148.289 1.00 21.34 N +ATOM 1277 CA ALA A 163 37.821 56.805 149.450 1.00 21.99 C +ATOM 1278 C ALA A 163 38.515 58.110 148.998 1.00 23.38 C +ATOM 1279 O ALA A 163 39.326 58.696 149.715 1.00 23.22 O +ATOM 1280 CB ALA A 163 38.684 56.028 150.404 1.00 19.79 C +ATOM 1281 N GLY A 164 38.148 58.553 147.795 1.00 23.93 N +ATOM 1282 CA GLY A 164 38.730 59.715 147.178 1.00 24.06 C +ATOM 1283 C GLY A 164 37.892 60.921 147.475 1.00 23.73 C +ATOM 1284 O GLY A 164 37.142 60.937 148.462 1.00 24.36 O +ATOM 1285 N GLU A 165 37.985 61.921 146.609 1.00 22.78 N +ATOM 1286 CA GLU A 165 37.378 63.195 146.891 1.00 22.92 C +ATOM 1287 C GLU A 165 35.865 63.091 147.049 1.00 22.30 C +ATOM 1288 O GLU A 165 35.289 63.713 147.950 1.00 23.50 O +ATOM 1289 CB GLU A 165 37.732 64.184 145.783 1.00 23.02 C +ATOM 1290 CG GLU A 165 37.367 65.627 146.126 1.00 26.56 C +ATOM 1291 CD GLU A 165 37.782 66.615 145.060 1.00 27.62 C +ATOM 1292 OE1 GLU A 165 38.892 66.446 144.504 1.00 25.71 O +ATOM 1293 OE2 GLU A 165 36.989 67.556 144.780 1.00 29.63 O +ATOM 1294 N SER A 166 35.210 62.337 146.164 1.00 22.74 N +ATOM 1295 CA SER A 166 33.765 62.197 146.219 1.00 23.09 C +ATOM 1296 C SER A 166 33.271 61.527 147.508 1.00 23.28 C +ATOM 1297 O SER A 166 32.464 62.126 148.197 1.00 25.28 O +ATOM 1298 CB SER A 166 33.203 61.501 144.975 1.00 24.71 C +ATOM 1299 OG SER A 166 33.707 60.216 144.845 1.00 26.05 O +ATOM 1300 N GLU A 167 33.739 60.321 147.848 1.00 23.62 N +ATOM 1301 CA GLU A 167 33.259 59.660 149.082 1.00 23.06 C +ATOM 1302 C GLU A 167 33.521 60.501 150.328 1.00 21.38 C +ATOM 1303 O GLU A 167 32.674 60.547 151.240 1.00 20.99 O +ATOM 1304 CB GLU A 167 33.889 58.256 149.283 1.00 23.87 C +ATOM 1305 CG GLU A 167 33.028 57.128 148.736 1.00 26.95 C +ATOM 1306 CD GLU A 167 33.572 55.737 149.000 1.00 25.93 C +ATOM 1307 OE1 GLU A 167 34.810 55.519 148.951 1.00 23.60 O +ATOM 1308 OE2 GLU A 167 32.733 54.828 149.222 1.00 25.49 O +ATOM 1309 N THR A 168 34.725 61.087 150.409 1.00 20.36 N +ATOM 1310 CA THR A 168 35.107 61.928 151.555 1.00 20.43 C +ATOM 1311 C THR A 168 34.220 63.188 151.701 1.00 20.49 C +ATOM 1312 O THR A 168 33.824 63.563 152.809 1.00 22.51 O +ATOM 1313 CB THR A 168 36.579 62.353 151.453 1.00 20.32 C +ATOM 1314 OG1 THR A 168 37.378 61.192 151.424 1.00 19.30 O +ATOM 1315 CG2 THR A 168 37.030 63.186 152.632 1.00 22.16 C +ATOM 1316 N SER A 169 33.890 63.825 150.586 1.00 20.85 N +ATOM 1317 CA SER A 169 33.061 65.004 150.615 1.00 20.51 C +ATOM 1318 C SER A 169 31.704 64.631 151.141 1.00 21.24 C +ATOM 1319 O SER A 169 31.150 65.330 151.989 1.00 21.05 O +ATOM 1320 CB SER A 169 32.942 65.661 149.238 1.00 21.68 C +ATOM 1321 OG SER A 169 34.215 66.139 148.793 1.00 21.62 O +ATOM 1322 N VAL A 170 31.176 63.505 150.674 1.00 21.64 N +ATOM 1323 CA VAL A 170 29.837 63.086 151.095 1.00 20.21 C +ATOM 1324 C VAL A 170 29.839 62.670 152.569 1.00 20.11 C +ATOM 1325 O VAL A 170 28.900 62.969 153.290 1.00 22.77 O +ATOM 1326 CB VAL A 170 29.275 62.025 150.118 1.00 20.35 C +ATOM 1327 CG1 VAL A 170 27.844 61.660 150.470 1.00 17.94 C +ATOM 1328 CG2 VAL A 170 29.366 62.583 148.710 1.00 20.85 C +HETATM 1329 N MSE A 171 30.904 62.035 153.048 1.00 20.18 N +HETATM 1330 CA MSE A 171 31.030 61.737 154.493 1.00 20.71 C +HETATM 1331 C MSE A 171 31.142 63.007 155.330 1.00 21.27 C +HETATM 1332 O MSE A 171 30.515 63.109 156.384 1.00 21.08 O +HETATM 1333 CB MSE A 171 32.249 60.829 154.806 1.00 22.47 C +HETATM 1334 CG MSE A 171 32.289 60.275 156.250 1.00 22.58 C +HETATM 1335 SE MSE A 171 30.688 59.201 156.736 0.75 22.90 SE +HETATM 1336 CE MSE A 171 30.976 57.687 155.552 1.00 19.93 C +HETATM 1337 N MSE A 172 31.963 63.954 154.860 1.00 22.07 N +HETATM 1338 CA MSE A 172 32.087 65.276 155.498 1.00 21.91 C +HETATM 1339 C MSE A 172 30.754 65.977 155.627 1.00 22.21 C +HETATM 1340 O MSE A 172 30.497 66.614 156.622 1.00 23.62 O +HETATM 1341 CB MSE A 172 33.075 66.163 154.749 1.00 19.74 C +HETATM 1342 CG MSE A 172 34.528 65.692 154.967 1.00 24.53 C +HETATM 1343 SE MSE A 172 35.811 66.644 153.908 0.75 25.14 SE +HETATM 1344 CE MSE A 172 36.052 68.128 155.160 1.00 23.86 C +ATOM 1345 N HIS A 173 29.909 65.822 154.633 1.00 21.73 N +ATOM 1346 CA HIS A 173 28.596 66.394 154.668 1.00 21.52 C +ATOM 1347 C HIS A 173 27.695 65.693 155.672 1.00 23.05 C +ATOM 1348 O HIS A 173 27.074 66.351 156.502 1.00 22.95 O +ATOM 1349 CB HIS A 173 27.976 66.373 153.283 1.00 21.95 C +ATOM 1350 CG HIS A 173 26.510 66.688 153.266 1.00 22.29 C +ATOM 1351 ND1 HIS A 173 25.988 67.862 153.767 1.00 22.31 N +ATOM 1352 CD2 HIS A 173 25.454 65.967 152.826 1.00 23.37 C +ATOM 1353 CE1 HIS A 173 24.674 67.849 153.637 1.00 23.46 C +ATOM 1354 NE2 HIS A 173 24.322 66.710 153.069 1.00 19.88 N +ATOM 1355 N TYR A 174 27.611 64.369 155.604 1.00 22.72 N +ATOM 1356 CA TYR A 174 26.635 63.638 156.438 1.00 21.57 C +ATOM 1357 C TYR A 174 27.107 63.386 157.877 1.00 20.80 C +ATOM 1358 O TYR A 174 26.315 63.415 158.806 1.00 19.04 O +ATOM 1359 CB TYR A 174 26.252 62.328 155.772 1.00 22.01 C +ATOM 1360 CG TYR A 174 25.219 62.419 154.679 1.00 19.28 C +ATOM 1361 CD1 TYR A 174 23.960 62.987 154.917 1.00 22.65 C +ATOM 1362 CD2 TYR A 174 25.449 61.846 153.449 1.00 19.95 C +ATOM 1363 CE1 TYR A 174 23.002 63.027 153.938 1.00 22.73 C +ATOM 1364 CE2 TYR A 174 24.495 61.895 152.455 1.00 22.21 C +ATOM 1365 CZ TYR A 174 23.283 62.467 152.693 1.00 21.90 C +ATOM 1366 OH TYR A 174 22.343 62.462 151.703 1.00 17.20 O +ATOM 1367 N HIS A 175 28.394 63.121 158.051 1.00 21.61 N +ATOM 1368 CA HIS A 175 28.961 62.792 159.353 1.00 22.30 C +ATOM 1369 C HIS A 175 30.372 63.376 159.445 1.00 23.16 C +ATOM 1370 O HIS A 175 31.319 62.639 159.406 1.00 23.54 O +ATOM 1371 CB HIS A 175 29.058 61.261 159.546 1.00 21.96 C +ATOM 1372 CG HIS A 175 27.741 60.576 159.509 1.00 23.99 C +ATOM 1373 ND1 HIS A 175 26.898 60.542 160.595 1.00 26.74 N +ATOM 1374 CD2 HIS A 175 27.080 59.965 158.499 1.00 24.31 C +ATOM 1375 CE1 HIS A 175 25.784 59.911 160.265 1.00 28.68 C +ATOM 1376 NE2 HIS A 175 25.872 59.551 158.999 1.00 23.68 N +ATOM 1377 N PRO A 176 30.504 64.709 159.585 1.00 25.47 N +ATOM 1378 CA PRO A 176 31.834 65.318 159.738 1.00 26.23 C +ATOM 1379 C PRO A 176 32.589 64.774 160.968 1.00 26.19 C +ATOM 1380 O PRO A 176 33.824 64.730 160.966 1.00 27.10 O +ATOM 1381 CB PRO A 176 31.520 66.807 159.919 1.00 26.52 C +ATOM 1382 CG PRO A 176 30.086 66.849 160.364 1.00 25.08 C +ATOM 1383 CD PRO A 176 29.425 65.721 159.668 1.00 25.08 C +ATOM 1384 N GLU A 177 31.844 64.328 161.978 1.00 26.99 N +ATOM 1385 CA GLU A 177 32.454 63.728 163.166 1.00 27.63 C +ATOM 1386 C GLU A 177 33.188 62.388 162.897 1.00 27.42 C +ATOM 1387 O GLU A 177 34.034 61.996 163.682 1.00 27.01 O +ATOM 1388 CB GLU A 177 31.418 63.623 164.314 1.00 28.32 C +ATOM 1389 CG GLU A 177 30.473 62.413 164.290 1.00 29.91 C +ATOM 1390 CD GLU A 177 29.395 62.481 163.232 1.00 32.15 C +ATOM 1391 OE1 GLU A 177 29.224 63.539 162.563 1.00 27.14 O +ATOM 1392 OE2 GLU A 177 28.721 61.441 163.076 1.00 36.37 O +ATOM 1393 N LEU A 178 32.912 61.722 161.774 1.00 26.38 N +ATOM 1394 CA LEU A 178 33.544 60.419 161.477 1.00 25.87 C +ATOM 1395 C LEU A 178 34.742 60.488 160.540 1.00 26.89 C +ATOM 1396 O LEU A 178 35.404 59.460 160.276 1.00 28.68 O +ATOM 1397 CB LEU A 178 32.522 59.474 160.858 1.00 26.27 C +ATOM 1398 CG LEU A 178 31.387 59.097 161.780 1.00 25.39 C +ATOM 1399 CD1 LEU A 178 30.394 58.263 160.956 1.00 26.40 C +ATOM 1400 CD2 LEU A 178 31.881 58.347 163.000 1.00 24.76 C +ATOM 1401 N VAL A 179 35.028 61.686 160.038 1.00 27.18 N +ATOM 1402 CA VAL A 179 36.144 61.887 159.122 1.00 27.33 C +ATOM 1403 C VAL A 179 36.987 63.091 159.552 1.00 28.15 C +ATOM 1404 O VAL A 179 36.474 64.161 159.833 1.00 28.54 O +ATOM 1405 CB VAL A 179 35.677 62.077 157.630 1.00 27.78 C +ATOM 1406 CG1 VAL A 179 34.869 63.309 157.492 1.00 26.97 C +ATOM 1407 CG2 VAL A 179 36.885 62.171 156.703 1.00 29.48 C +ATOM 1408 N ASN A 180 38.295 62.889 159.621 1.00 29.75 N +ATOM 1409 CA ASN A 180 39.249 64.006 159.766 1.00 32.36 C +ATOM 1410 C ASN A 180 40.116 63.975 158.518 1.00 27.58 C +ATOM 1411 O ASN A 180 40.952 63.090 158.370 1.00 27.49 O +ATOM 1412 CB ASN A 180 40.065 63.851 161.067 1.00 35.22 C +ATOM 1413 CG ASN A 180 41.153 64.939 161.240 1.00 48.62 C +ATOM 1414 OD1 ASN A 180 41.061 66.061 160.698 1.00 60.97 O +ATOM 1415 ND2 ASN A 180 42.194 64.596 162.003 1.00 61.52 N +ATOM 1416 N LEU A 181 39.873 64.900 157.591 1.00 27.11 N +ATOM 1417 CA LEU A 181 40.583 64.924 156.288 1.00 27.20 C +ATOM 1418 C LEU A 181 42.108 64.991 156.410 1.00 27.21 C +ATOM 1419 O LEU A 181 42.805 64.463 155.560 1.00 27.00 O +ATOM 1420 CB LEU A 181 40.106 66.098 155.437 1.00 29.52 C +ATOM 1421 CG LEU A 181 40.667 66.264 154.022 1.00 28.72 C +ATOM 1422 CD1 LEU A 181 40.380 65.052 153.153 1.00 27.69 C +ATOM 1423 CD2 LEU A 181 40.067 67.519 153.441 1.00 26.79 C +ATOM 1424 N ALA A 182 42.615 65.638 157.465 1.00 28.52 N +ATOM 1425 CA ALA A 182 44.081 65.769 157.710 1.00 28.92 C +ATOM 1426 C ALA A 182 44.783 64.434 157.800 1.00 30.17 C +ATOM 1427 O ALA A 182 45.993 64.362 157.567 1.00 30.54 O +ATOM 1428 CB ALA A 182 44.340 66.531 159.010 1.00 29.63 C +ATOM 1429 N GLU A 183 44.045 63.382 158.182 1.00 30.75 N +ATOM 1430 CA GLU A 183 44.635 62.044 158.328 1.00 31.63 C +ATOM 1431 C GLU A 183 44.724 61.282 156.994 1.00 28.15 C +ATOM 1432 O GLU A 183 45.363 60.249 156.915 1.00 28.17 O +ATOM 1433 CB GLU A 183 43.821 61.226 159.335 1.00 33.56 C +ATOM 1434 CG GLU A 183 43.786 61.806 160.762 1.00 35.70 C +ATOM 1435 CD GLU A 183 42.737 61.125 161.676 1.00 40.60 C +ATOM 1436 OE1 GLU A 183 42.138 60.077 161.254 1.00 45.28 O +ATOM 1437 OE2 GLU A 183 42.513 61.655 162.815 1.00 46.15 O +ATOM 1438 N ALA A 184 44.072 61.767 155.944 1.00 26.74 N +ATOM 1439 CA ALA A 184 44.092 61.061 154.678 1.00 25.63 C +ATOM 1440 C ALA A 184 45.523 61.000 154.119 1.00 26.53 C +ATOM 1441 O ALA A 184 46.298 61.952 154.284 1.00 27.44 O +ATOM 1442 CB ALA A 184 43.170 61.733 153.712 1.00 26.10 C +ATOM 1443 N GLY A 185 45.875 59.854 153.518 1.00 26.46 N +ATOM 1444 CA GLY A 185 47.055 59.735 152.652 1.00 24.93 C +ATOM 1445 C GLY A 185 46.647 60.156 151.241 1.00 25.50 C +ATOM 1446 O GLY A 185 45.482 60.456 151.018 1.00 25.10 O +ATOM 1447 N ASP A 186 47.596 60.169 150.300 1.00 26.51 N +ATOM 1448 CA ASP A 186 47.353 60.638 148.925 1.00 30.77 C +ATOM 1449 C ASP A 186 46.489 59.711 148.064 1.00 27.67 C +ATOM 1450 O ASP A 186 46.050 60.101 146.963 1.00 27.45 O +ATOM 1451 CB ASP A 186 48.705 60.780 148.178 1.00 34.42 C +ATOM 1452 CG ASP A 186 49.511 62.007 148.618 1.00 45.56 C +ATOM 1453 OD1 ASP A 186 48.979 62.889 149.351 1.00 56.10 O +ATOM 1454 OD2 ASP A 186 50.696 62.078 148.218 1.00 52.78 O +ATOM 1455 N GLY A 187 46.317 58.461 148.504 1.00 27.56 N +ATOM 1456 CA GLY A 187 45.602 57.443 147.727 1.00 26.84 C +ATOM 1457 C GLY A 187 46.223 57.149 146.368 1.00 27.13 C +ATOM 1458 O GLY A 187 45.486 56.938 145.387 1.00 25.74 O +ATOM 1459 N GLU A 188 47.564 57.158 146.297 1.00 28.10 N +ATOM 1460 CA GLU A 188 48.264 56.895 145.022 1.00 30.63 C +ATOM 1461 C GLU A 188 47.955 55.462 144.627 1.00 30.69 C +ATOM 1462 O GLU A 188 47.847 54.571 145.499 1.00 30.39 O +ATOM 1463 CB GLU A 188 49.788 57.137 145.096 1.00 28.94 C +ATOM 1464 N SER A 189 47.754 55.247 143.324 1.00 32.15 N +ATOM 1465 CA SER A 189 47.487 53.902 142.792 1.00 33.01 C +ATOM 1466 C SER A 189 48.373 53.577 141.586 1.00 33.73 C +ATOM 1467 O SER A 189 48.756 54.474 140.823 1.00 34.57 O +ATOM 1468 CB SER A 189 46.005 53.761 142.434 1.00 33.28 C +ATOM 1469 OG SER A 189 45.579 54.808 141.588 1.00 38.63 O +ATOM 1470 N LYS A 190 48.699 52.293 141.439 1.00 32.70 N +ATOM 1471 CA LYS A 190 49.491 51.796 140.308 1.00 34.77 C +ATOM 1472 C LYS A 190 48.602 51.028 139.337 1.00 32.01 C +ATOM 1473 O LYS A 190 47.729 50.274 139.774 1.00 31.03 O +ATOM 1474 CB LYS A 190 50.588 50.865 140.788 1.00 35.03 C +ATOM 1475 CG LYS A 190 51.758 51.575 141.412 1.00 42.46 C +ATOM 1476 CD LYS A 190 52.849 50.596 141.860 1.00 42.98 C +ATOM 1477 CE LYS A 190 53.981 51.369 142.591 1.00 54.95 C +ATOM 1478 NZ LYS A 190 55.032 50.520 143.259 1.00 54.62 N +ATOM 1479 N PRO A 191 48.825 51.208 138.013 1.00 30.92 N +ATOM 1480 CA PRO A 191 48.075 50.439 137.024 1.00 29.77 C +ATOM 1481 C PRO A 191 48.665 49.042 136.822 1.00 27.37 C +ATOM 1482 O PRO A 191 49.669 48.666 137.466 1.00 26.64 O +ATOM 1483 CB PRO A 191 48.226 51.283 135.745 1.00 32.43 C +ATOM 1484 CG PRO A 191 49.600 51.863 135.871 1.00 32.28 C +ATOM 1485 CD PRO A 191 49.800 52.114 137.368 1.00 31.27 C +ATOM 1486 N PHE A 192 48.013 48.274 135.956 1.00 26.49 N +ATOM 1487 CA PHE A 192 48.458 46.939 135.585 1.00 25.90 C +ATOM 1488 C PHE A 192 49.658 47.089 134.628 1.00 26.31 C +ATOM 1489 O PHE A 192 49.776 48.126 133.943 1.00 26.10 O +ATOM 1490 CB PHE A 192 47.340 46.178 134.835 1.00 27.14 C +ATOM 1491 CG PHE A 192 46.062 45.941 135.629 1.00 24.56 C +ATOM 1492 CD1 PHE A 192 46.076 45.197 136.807 1.00 23.06 C +ATOM 1493 CD2 PHE A 192 44.834 46.389 135.131 1.00 23.57 C +ATOM 1494 CE1 PHE A 192 44.905 44.926 137.492 1.00 25.49 C +ATOM 1495 CE2 PHE A 192 43.638 46.140 135.816 1.00 24.47 C +ATOM 1496 CZ PHE A 192 43.674 45.408 137.001 1.00 25.18 C +ATOM 1497 N ALA A 193 50.496 46.054 134.572 1.00 26.23 N +ATOM 1498 CA ALA A 193 51.599 45.936 133.608 1.00 27.43 C +ATOM 1499 C ALA A 193 51.144 45.376 132.246 1.00 28.37 C +ATOM 1500 O ALA A 193 51.946 45.316 131.326 1.00 29.54 O +ATOM 1501 CB ALA A 193 52.759 45.035 134.193 1.00 26.43 C +ATOM 1502 N ILE A 194 49.871 44.949 132.150 1.00 28.49 N +ATOM 1503 CA ILE A 194 49.227 44.506 130.908 1.00 25.47 C +ATOM 1504 C ILE A 194 48.385 45.671 130.367 1.00 26.41 C +ATOM 1505 O ILE A 194 47.328 45.986 130.906 1.00 27.12 O +ATOM 1506 CB ILE A 194 48.375 43.220 131.166 1.00 26.63 C +ATOM 1507 CG1 ILE A 194 49.284 42.093 131.719 1.00 22.88 C +ATOM 1508 CG2 ILE A 194 47.666 42.753 129.890 1.00 23.56 C +ATOM 1509 CD1 ILE A 194 48.558 40.859 132.286 1.00 24.58 C +ATOM 1510 N ALA A 195 48.869 46.319 129.308 1.00 25.85 N +ATOM 1511 CA ALA A 195 48.308 47.560 128.825 1.00 24.99 C +ATOM 1512 C ALA A 195 46.843 47.421 128.469 1.00 24.90 C +ATOM 1513 O ALA A 195 46.032 48.291 128.827 1.00 25.95 O +ATOM 1514 CB ALA A 195 49.103 48.065 127.602 1.00 25.86 C +ATOM 1515 N SER A 196 46.499 46.319 127.776 1.00 24.62 N +ATOM 1516 CA SER A 196 45.111 46.057 127.342 1.00 23.99 C +ATOM 1517 C SER A 196 44.084 46.041 128.488 1.00 23.76 C +ATOM 1518 O SER A 196 42.888 46.427 128.298 1.00 23.50 O +ATOM 1519 CB SER A 196 45.040 44.767 126.531 1.00 26.24 C +ATOM 1520 OG SER A 196 45.886 44.833 125.383 1.00 26.31 O +ATOM 1521 N LEU A 197 44.549 45.636 129.673 1.00 23.94 N +ATOM 1522 CA LEU A 197 43.712 45.680 130.887 1.00 24.41 C +ATOM 1523 C LEU A 197 43.497 47.110 131.394 1.00 25.23 C +ATOM 1524 O LEU A 197 42.433 47.403 131.902 1.00 25.92 O +ATOM 1525 CB LEU A 197 44.295 44.791 132.007 1.00 24.16 C +ATOM 1526 CG LEU A 197 44.487 43.290 131.684 1.00 24.30 C +ATOM 1527 CD1 LEU A 197 45.094 42.548 132.856 1.00 22.59 C +ATOM 1528 CD2 LEU A 197 43.205 42.604 131.237 1.00 20.90 C +ATOM 1529 N ASN A 198 44.494 48.003 131.274 1.00 27.18 N +ATOM 1530 CA ASN A 198 44.295 49.408 131.678 1.00 27.20 C +ATOM 1531 C ASN A 198 43.407 50.119 130.689 1.00 28.01 C +ATOM 1532 O ASN A 198 42.656 51.059 131.045 1.00 28.01 O +ATOM 1533 CB ASN A 198 45.618 50.152 131.811 1.00 28.51 C +ATOM 1534 CG ASN A 198 46.473 49.590 132.897 1.00 27.15 C +ATOM 1535 OD1 ASN A 198 45.977 49.337 133.991 1.00 29.01 O +ATOM 1536 ND2 ASN A 198 47.769 49.363 132.607 1.00 28.59 N +ATOM 1537 N GLU A 199 43.477 49.654 129.445 1.00 28.78 N +ATOM 1538 CA GLU A 199 42.636 50.161 128.367 1.00 31.35 C +ATOM 1539 C GLU A 199 41.245 49.579 128.462 1.00 30.09 C +ATOM 1540 O GLU A 199 40.335 50.066 127.787 1.00 30.03 O +ATOM 1541 CB GLU A 199 43.228 49.822 126.985 1.00 32.15 C +ATOM 1542 CG GLU A 199 44.609 50.482 126.701 1.00 37.31 C +ATOM 1543 CD GLU A 199 45.541 49.625 125.806 1.00 40.42 C +ATOM 1544 OE1 GLU A 199 45.041 48.815 124.971 1.00 48.32 O +ATOM 1545 OE2 GLU A 199 46.790 49.783 125.933 1.00 56.09 O +ATOM 1546 N LYS A 200 41.091 48.523 129.258 1.00 30.01 N +ATOM 1547 CA LYS A 200 39.783 47.895 129.548 1.00 29.88 C +ATOM 1548 C LYS A 200 39.215 47.113 128.371 1.00 27.98 C +ATOM 1549 O LYS A 200 37.989 47.099 128.164 1.00 28.10 O +ATOM 1550 CB LYS A 200 38.763 48.920 130.043 1.00 31.49 C +ATOM 1551 CG LYS A 200 39.227 49.662 131.278 1.00 36.54 C +ATOM 1552 CD LYS A 200 38.183 50.630 131.786 1.00 40.96 C +ATOM 1553 CE LYS A 200 38.721 51.381 133.012 1.00 49.89 C +ATOM 1554 NZ LYS A 200 37.632 52.023 133.838 1.00 54.96 N +ATOM 1555 N VAL A 201 40.113 46.481 127.608 1.00 25.20 N +ATOM 1556 CA VAL A 201 39.767 45.471 126.611 1.00 24.25 C +ATOM 1557 C VAL A 201 39.111 44.286 127.339 1.00 23.99 C +ATOM 1558 O VAL A 201 38.131 43.704 126.874 1.00 23.02 O +ATOM 1559 CB VAL A 201 41.067 45.040 125.810 1.00 25.81 C +ATOM 1560 CG1 VAL A 201 40.805 43.881 124.812 1.00 22.75 C +ATOM 1561 CG2 VAL A 201 41.714 46.284 125.077 1.00 22.22 C +ATOM 1562 N ALA A 202 39.670 43.937 128.493 1.00 22.68 N +ATOM 1563 CA ALA A 202 39.131 42.913 129.364 1.00 21.11 C +ATOM 1564 C ALA A 202 39.184 43.444 130.805 1.00 22.05 C +ATOM 1565 O ALA A 202 39.895 44.418 131.086 1.00 22.33 O +ATOM 1566 CB ALA A 202 39.967 41.649 129.230 1.00 21.37 C +ATOM 1567 N TRP A 203 38.473 42.768 131.714 1.00 22.34 N +ATOM 1568 CA TRP A 203 38.445 43.102 133.151 1.00 20.85 C +ATOM 1569 C TRP A 203 39.141 42.051 134.011 1.00 20.70 C +ATOM 1570 O TRP A 203 38.865 40.840 133.879 1.00 19.05 O +ATOM 1571 CB TRP A 203 36.985 43.282 133.615 1.00 21.17 C +ATOM 1572 CG TRP A 203 36.831 43.697 135.053 1.00 21.30 C +ATOM 1573 CD1 TRP A 203 36.726 44.982 135.539 1.00 22.78 C +ATOM 1574 CD2 TRP A 203 36.729 42.829 136.193 1.00 19.00 C +ATOM 1575 NE1 TRP A 203 36.591 44.954 136.915 1.00 22.89 N +ATOM 1576 CE2 TRP A 203 36.583 43.651 137.339 1.00 24.72 C +ATOM 1577 CE3 TRP A 203 36.734 41.437 136.357 1.00 21.79 C +ATOM 1578 CZ2 TRP A 203 36.442 43.118 138.637 1.00 25.15 C +ATOM 1579 CZ3 TRP A 203 36.609 40.909 137.659 1.00 22.96 C +ATOM 1580 CH2 TRP A 203 36.473 41.746 138.769 1.00 22.54 C +ATOM 1581 N VAL A 204 40.043 42.532 134.880 1.00 19.87 N +ATOM 1582 CA VAL A 204 40.679 41.784 135.965 1.00 20.41 C +ATOM 1583 C VAL A 204 40.506 42.683 137.212 1.00 21.76 C +ATOM 1584 O VAL A 204 40.562 43.902 137.101 1.00 21.78 O +ATOM 1585 CB VAL A 204 42.226 41.571 135.717 1.00 23.29 C +ATOM 1586 CG1 VAL A 204 42.897 40.987 136.945 1.00 24.02 C +ATOM 1587 CG2 VAL A 204 42.507 40.664 134.490 1.00 22.41 C +ATOM 1588 N PRO A 205 40.278 42.098 138.403 1.00 21.89 N +ATOM 1589 CA PRO A 205 40.222 42.973 139.614 1.00 22.42 C +ATOM 1590 C PRO A 205 41.580 43.607 139.957 1.00 23.01 C +ATOM 1591 O PRO A 205 42.607 42.970 139.770 1.00 23.62 O +ATOM 1592 CB PRO A 205 39.794 42.012 140.719 1.00 22.00 C +ATOM 1593 CG PRO A 205 40.230 40.617 140.211 1.00 21.86 C +ATOM 1594 CD PRO A 205 40.121 40.661 138.726 1.00 22.27 C +ATOM 1595 N ARG A 206 41.571 44.875 140.386 1.00 23.82 N +ATOM 1596 CA ARG A 206 42.744 45.532 140.950 1.00 25.51 C +ATOM 1597 C ARG A 206 43.215 44.719 142.151 1.00 22.80 C +ATOM 1598 O ARG A 206 42.384 44.259 142.956 1.00 22.11 O +ATOM 1599 CB ARG A 206 42.384 46.959 141.414 1.00 27.06 C +ATOM 1600 CG ARG A 206 43.581 47.734 141.980 1.00 32.22 C +ATOM 1601 CD ARG A 206 43.220 49.090 142.620 1.00 34.30 C +ATOM 1602 NE ARG A 206 42.369 49.949 141.773 1.00 44.78 N +ATOM 1603 CZ ARG A 206 42.804 50.792 140.829 1.00 48.15 C +ATOM 1604 NH1 ARG A 206 44.102 50.909 140.537 1.00 44.43 N +ATOM 1605 NH2 ARG A 206 41.911 51.525 140.165 1.00 48.52 N +ATOM 1606 N HIS A 207 44.523 44.506 142.260 1.00 22.78 N +ATOM 1607 CA HIS A 207 45.113 43.904 143.458 1.00 22.39 C +ATOM 1608 C HIS A 207 45.553 45.025 144.371 1.00 24.08 C +ATOM 1609 O HIS A 207 46.479 45.758 144.020 1.00 24.06 O +ATOM 1610 CB HIS A 207 46.296 43.038 143.077 1.00 22.65 C +ATOM 1611 CG HIS A 207 45.910 41.792 142.354 1.00 22.88 C +ATOM 1612 ND1 HIS A 207 46.551 40.590 142.553 1.00 25.83 N +ATOM 1613 CD2 HIS A 207 44.900 41.542 141.478 1.00 24.04 C +ATOM 1614 CE1 HIS A 207 45.982 39.661 141.799 1.00 23.66 C +ATOM 1615 NE2 HIS A 207 44.973 40.209 141.146 1.00 24.86 N +ATOM 1616 N TRP A 208 44.896 45.168 145.532 1.00 24.53 N +ATOM 1617 CA TRP A 208 45.169 46.286 146.471 1.00 24.53 C +ATOM 1618 C TRP A 208 46.600 46.291 147.003 1.00 25.61 C +ATOM 1619 O TRP A 208 47.185 47.370 147.239 1.00 25.58 O +ATOM 1620 CB TRP A 208 44.221 46.261 147.669 1.00 24.42 C +ATOM 1621 CG TRP A 208 43.269 47.379 147.715 1.00 25.60 C +ATOM 1622 CD1 TRP A 208 43.234 48.392 148.633 1.00 23.08 C +ATOM 1623 CD2 TRP A 208 42.186 47.612 146.815 1.00 25.63 C +ATOM 1624 NE1 TRP A 208 42.192 49.240 148.360 1.00 24.37 N +ATOM 1625 CE2 TRP A 208 41.529 48.788 147.250 1.00 25.30 C +ATOM 1626 CE3 TRP A 208 41.704 46.942 145.678 1.00 25.59 C +ATOM 1627 CZ2 TRP A 208 40.407 49.316 146.585 1.00 26.31 C +ATOM 1628 CZ3 TRP A 208 40.597 47.462 145.028 1.00 27.18 C +ATOM 1629 CH2 TRP A 208 39.956 48.638 145.483 1.00 29.10 C +ATOM 1630 N ASP A 209 47.132 45.101 147.241 1.00 25.62 N +ATOM 1631 CA ASP A 209 48.488 44.977 147.786 1.00 28.19 C +ATOM 1632 C ASP A 209 49.570 45.458 146.804 1.00 29.41 C +ATOM 1633 O ASP A 209 50.637 45.896 147.229 1.00 29.70 O +ATOM 1634 CB ASP A 209 48.767 43.545 148.229 1.00 29.53 C +ATOM 1635 CG ASP A 209 48.709 42.544 147.076 1.00 31.71 C +ATOM 1636 OD1 ASP A 209 47.848 42.686 146.178 1.00 31.39 O +ATOM 1637 OD2 ASP A 209 49.517 41.591 147.093 1.00 37.34 O +ATOM 1638 N LYS A 210 49.278 45.401 145.495 1.00 30.11 N +ATOM 1639 CA LYS A 210 50.188 45.906 144.443 1.00 30.04 C +ATOM 1640 C LYS A 210 49.810 47.314 143.950 1.00 29.95 C +ATOM 1641 O LYS A 210 50.673 48.054 143.493 1.00 31.61 O +ATOM 1642 CB LYS A 210 50.170 44.956 143.243 1.00 30.67 C +ATOM 1643 CG LYS A 210 50.293 43.467 143.552 1.00 33.22 C +ATOM 1644 CD LYS A 210 51.742 43.005 143.731 1.00 40.78 C +ATOM 1645 CE LYS A 210 51.866 41.515 143.371 1.00 46.92 C +ATOM 1646 NZ LYS A 210 52.865 40.758 144.188 1.00 50.70 N +ATOM 1647 N ALA A 211 48.518 47.655 144.004 1.00 29.22 N +ATOM 1648 CA ALA A 211 47.968 48.861 143.390 1.00 29.09 C +ATOM 1649 C ALA A 211 47.819 50.060 144.324 1.00 30.54 C +ATOM 1650 O ALA A 211 47.645 51.189 143.845 1.00 32.19 O +ATOM 1651 CB ALA A 211 46.596 48.573 142.821 1.00 30.85 C +ATOM 1652 N THR A 212 47.815 49.841 145.630 1.00 30.31 N +ATOM 1653 CA THR A 212 47.518 50.934 146.576 1.00 32.50 C +ATOM 1654 C THR A 212 48.576 50.943 147.679 1.00 32.36 C +ATOM 1655 O THR A 212 49.229 49.925 147.913 1.00 35.32 O +ATOM 1656 CB THR A 212 46.100 50.758 147.215 1.00 31.06 C +ATOM 1657 OG1 THR A 212 46.123 49.635 148.107 1.00 37.40 O +ATOM 1658 CG2 THR A 212 45.016 50.531 146.149 1.00 29.20 C +ATOM 1659 N VAL A 213 48.748 52.082 148.342 1.00 32.85 N +ATOM 1660 CA VAL A 213 49.675 52.199 149.484 1.00 33.29 C +ATOM 1661 C VAL A 213 48.910 52.297 150.804 1.00 31.44 C +ATOM 1662 O VAL A 213 49.252 51.623 151.781 1.00 31.82 O +ATOM 1663 CB VAL A 213 50.596 53.456 149.374 1.00 35.06 C +ATOM 1664 CG1 VAL A 213 51.652 53.415 150.469 1.00 36.83 C +ATOM 1665 CG2 VAL A 213 51.247 53.567 147.963 1.00 38.38 C +ATOM 1666 N ASP A 214 47.891 53.155 150.833 1.00 29.08 N +ATOM 1667 CA ASP A 214 47.124 53.424 152.072 1.00 29.29 C +ATOM 1668 C ASP A 214 45.699 52.832 152.059 1.00 27.62 C +ATOM 1669 O ASP A 214 44.888 53.132 152.957 1.00 26.33 O +ATOM 1670 CB ASP A 214 47.077 54.938 152.352 1.00 29.87 C +ATOM 1671 CG ASP A 214 46.506 55.745 151.189 1.00 33.35 C +ATOM 1672 OD1 ASP A 214 45.457 55.359 150.620 1.00 36.16 O +ATOM 1673 OD2 ASP A 214 47.088 56.787 150.863 1.00 34.16 O +ATOM 1674 N SER A 215 45.414 52.026 151.030 1.00 25.98 N +ATOM 1675 CA SER A 215 44.081 51.432 150.749 1.00 25.76 C +ATOM 1676 C SER A 215 43.148 52.331 149.916 1.00 25.51 C +ATOM 1677 O SER A 215 42.150 51.842 149.401 1.00 27.31 O +ATOM 1678 CB SER A 215 43.339 50.939 152.007 1.00 24.98 C +ATOM 1679 OG SER A 215 42.523 51.962 152.581 1.00 24.83 O +ATOM 1680 N GLY A 216 43.468 53.612 149.780 1.00 23.84 N +ATOM 1681 CA GLY A 216 42.706 54.529 148.974 1.00 22.79 C +ATOM 1682 C GLY A 216 43.082 54.448 147.516 1.00 22.78 C +ATOM 1683 O GLY A 216 44.190 54.034 147.170 1.00 22.61 O +ATOM 1684 N VAL A 217 42.146 54.855 146.656 1.00 23.98 N +ATOM 1685 CA VAL A 217 42.399 55.027 145.210 1.00 24.26 C +ATOM 1686 C VAL A 217 41.847 56.360 144.750 1.00 24.56 C +ATOM 1687 O VAL A 217 40.662 56.466 144.384 1.00 24.50 O +ATOM 1688 CB VAL A 217 41.765 53.917 144.340 1.00 25.29 C +ATOM 1689 CG1 VAL A 217 42.252 54.077 142.841 1.00 22.26 C +ATOM 1690 CG2 VAL A 217 42.066 52.560 144.900 1.00 22.41 C +ATOM 1691 N GLY A 218 42.724 57.368 144.771 1.00 25.38 N +ATOM 1692 CA GLY A 218 42.396 58.736 144.439 1.00 25.85 C +ATOM 1693 C GLY A 218 42.748 59.678 145.576 1.00 26.64 C +ATOM 1694 O GLY A 218 42.606 59.324 146.751 1.00 26.57 O +ATOM 1695 N ASN A 219 43.202 60.884 145.232 1.00 26.95 N +ATOM 1696 CA ASN A 219 43.571 61.864 146.240 1.00 26.67 C +ATOM 1697 C ASN A 219 42.307 62.570 146.747 1.00 24.39 C +ATOM 1698 O ASN A 219 41.546 63.155 145.941 1.00 25.36 O +ATOM 1699 CB ASN A 219 44.639 62.858 145.702 1.00 28.41 C +ATOM 1700 CG ASN A 219 45.347 63.620 146.822 1.00 30.76 C +ATOM 1701 OD1 ASN A 219 44.697 64.031 147.775 1.00 33.82 O +ATOM 1702 ND2 ASN A 219 46.695 63.784 146.726 1.00 28.42 N +ATOM 1703 N PRO A 220 42.037 62.461 148.071 1.00 23.38 N +ATOM 1704 CA PRO A 220 40.850 63.047 148.688 1.00 24.85 C +ATOM 1705 C PRO A 220 41.023 64.466 149.210 1.00 26.07 C +ATOM 1706 O PRO A 220 40.045 65.048 149.708 1.00 24.63 O +ATOM 1707 CB PRO A 220 40.622 62.106 149.870 1.00 24.96 C +ATOM 1708 CG PRO A 220 41.999 61.802 150.309 1.00 21.62 C +ATOM 1709 CD PRO A 220 42.793 61.670 149.060 1.00 22.21 C +ATOM 1710 N LYS A 221 42.240 65.023 149.094 1.00 27.72 N +ATOM 1711 CA LYS A 221 42.604 66.278 149.782 1.00 29.72 C +ATOM 1712 C LYS A 221 41.721 67.482 149.454 1.00 27.01 C +ATOM 1713 O LYS A 221 41.569 68.358 150.290 1.00 27.27 O +ATOM 1714 CB LYS A 221 44.077 66.652 149.523 1.00 32.27 C +ATOM 1715 CG LYS A 221 45.083 66.159 150.588 1.00 40.55 C +ATOM 1716 CD LYS A 221 44.877 64.700 151.052 1.00 49.25 C +ATOM 1717 CE LYS A 221 46.215 64.077 151.552 1.00 49.90 C +ATOM 1718 NZ LYS A 221 46.856 64.822 152.698 1.00 49.99 N +ATOM 1719 N LYS A 222 41.127 67.549 148.260 1.00 27.07 N +ATOM 1720 CA LYS A 222 40.254 68.697 147.949 1.00 26.46 C +ATOM 1721 C LYS A 222 38.793 68.544 148.381 1.00 25.60 C +ATOM 1722 O LYS A 222 37.937 69.410 148.044 1.00 25.09 O +ATOM 1723 CB LYS A 222 40.357 69.102 146.477 1.00 29.28 C +ATOM 1724 CG LYS A 222 41.796 69.339 146.026 1.00 34.08 C +ATOM 1725 CD LYS A 222 41.847 70.232 144.806 1.00 45.73 C +ATOM 1726 CE LYS A 222 43.261 70.303 144.181 1.00 48.61 C +ATOM 1727 NZ LYS A 222 43.293 71.298 143.072 1.00 50.66 N +ATOM 1728 N ALA A 223 38.514 67.502 149.175 1.00 24.70 N +ATOM 1729 CA ALA A 223 37.173 67.184 149.617 1.00 23.11 C +ATOM 1730 C ALA A 223 36.692 68.262 150.557 1.00 23.39 C +ATOM 1731 O ALA A 223 37.461 68.695 151.430 1.00 22.73 O +ATOM 1732 CB ALA A 223 37.162 65.803 150.354 1.00 23.25 C +ATOM 1733 N THR A 224 35.408 68.642 150.416 1.00 22.22 N +ATOM 1734 CA THR A 224 34.742 69.516 151.364 1.00 22.35 C +ATOM 1735 C THR A 224 33.310 69.008 151.590 1.00 22.03 C +ATOM 1736 O THR A 224 32.755 68.304 150.765 1.00 21.88 O +ATOM 1737 CB THR A 224 34.648 71.006 150.860 1.00 24.49 C +ATOM 1738 OG1 THR A 224 33.753 71.085 149.745 1.00 23.41 O +ATOM 1739 CG2 THR A 224 36.043 71.592 150.444 1.00 21.92 C +ATOM 1740 N ALA A 225 32.740 69.354 152.736 1.00 21.98 N +ATOM 1741 CA ALA A 225 31.341 69.084 153.067 1.00 21.69 C +ATOM 1742 C ALA A 225 30.428 69.716 152.053 1.00 24.13 C +ATOM 1743 O ALA A 225 29.402 69.140 151.677 1.00 24.25 O +ATOM 1744 CB ALA A 225 31.039 69.663 154.420 1.00 20.87 C +ATOM 1745 N GLU A 226 30.769 70.935 151.639 1.00 25.91 N +ATOM 1746 CA GLU A 226 29.918 71.676 150.700 1.00 27.01 C +ATOM 1747 C GLU A 226 29.833 70.981 149.316 1.00 24.30 C +ATOM 1748 O GLU A 226 28.763 70.915 148.695 1.00 23.74 O +ATOM 1749 CB GLU A 226 30.402 73.131 150.582 1.00 28.21 C +ATOM 1750 CG GLU A 226 30.313 73.966 151.905 1.00 43.01 C +ATOM 1751 CD GLU A 226 31.188 73.436 153.117 1.00 53.79 C +ATOM 1752 OE1 GLU A 226 32.365 72.999 152.914 1.00 51.44 O +ATOM 1753 OE2 GLU A 226 30.689 73.487 154.284 1.00 49.77 O +ATOM 1754 N LYS A 227 30.957 70.459 148.835 1.00 23.26 N +ATOM 1755 CA LYS A 227 30.956 69.675 147.600 1.00 23.86 C +ATOM 1756 C LYS A 227 30.060 68.435 147.699 1.00 23.55 C +ATOM 1757 O LYS A 227 29.395 68.052 146.725 1.00 24.19 O +ATOM 1758 CB LYS A 227 32.364 69.221 147.281 1.00 25.26 C +ATOM 1759 CG LYS A 227 33.206 70.236 146.597 1.00 26.94 C +ATOM 1760 CD LYS A 227 34.549 69.646 146.314 1.00 27.80 C +ATOM 1761 CE LYS A 227 35.472 70.664 145.694 1.00 26.34 C +ATOM 1762 NZ LYS A 227 36.821 70.089 145.540 1.00 26.13 N +ATOM 1763 N GLY A 228 30.041 67.826 148.880 1.00 23.38 N +ATOM 1764 CA GLY A 228 29.242 66.634 149.140 1.00 23.06 C +ATOM 1765 C GLY A 228 27.779 66.933 149.195 1.00 23.57 C +ATOM 1766 O GLY A 228 26.968 66.189 148.674 1.00 23.71 O +ATOM 1767 N GLU A 229 27.452 68.045 149.834 1.00 24.83 N +ATOM 1768 CA GLU A 229 26.097 68.545 149.917 1.00 26.67 C +ATOM 1769 C GLU A 229 25.533 68.766 148.525 1.00 25.47 C +ATOM 1770 O GLU A 229 24.422 68.309 148.210 1.00 25.08 O +ATOM 1771 CB GLU A 229 26.086 69.859 150.738 1.00 24.26 C +ATOM 1772 CG GLU A 229 24.706 70.445 150.968 1.00 32.45 C +ATOM 1773 CD GLU A 229 24.716 71.716 151.878 1.00 36.27 C +ATOM 1774 OE1 GLU A 229 25.764 72.424 152.007 1.00 47.11 O +ATOM 1775 OE2 GLU A 229 23.646 71.995 152.463 1.00 50.08 O +ATOM 1776 N ARG A 230 26.310 69.462 147.692 1.00 25.15 N +ATOM 1777 CA ARG A 230 25.903 69.787 146.322 1.00 25.82 C +ATOM 1778 C ARG A 230 25.695 68.543 145.459 1.00 24.67 C +ATOM 1779 O ARG A 230 24.750 68.483 144.650 1.00 25.47 O +ATOM 1780 CB ARG A 230 26.928 70.726 145.632 1.00 25.23 C +ATOM 1781 CG ARG A 230 26.837 72.184 146.088 1.00 30.98 C +ATOM 1782 CD ARG A 230 27.601 73.181 145.191 1.00 26.48 C +ATOM 1783 NE ARG A 230 29.041 73.174 145.415 1.00 29.77 N +ATOM 1784 CZ ARG A 230 29.927 72.532 144.652 1.00 32.55 C +ATOM 1785 NH1 ARG A 230 29.560 71.818 143.565 1.00 34.38 N +ATOM 1786 NH2 ARG A 230 31.214 72.606 144.977 1.00 40.28 N +ATOM 1787 N TYR A 231 26.594 67.578 145.617 1.00 23.36 N +ATOM 1788 CA TYR A 231 26.545 66.305 144.856 1.00 22.77 C +ATOM 1789 C TYR A 231 25.377 65.408 145.262 1.00 22.16 C +ATOM 1790 O TYR A 231 24.709 64.851 144.396 1.00 25.02 O +ATOM 1791 CB TYR A 231 27.884 65.568 144.975 1.00 23.35 C +ATOM 1792 CG TYR A 231 27.995 64.276 144.192 1.00 23.34 C +ATOM 1793 CD1 TYR A 231 27.661 64.224 142.852 1.00 23.82 C +ATOM 1794 CD2 TYR A 231 28.473 63.114 144.783 1.00 19.70 C +ATOM 1795 CE1 TYR A 231 27.797 63.044 142.109 1.00 22.13 C +ATOM 1796 CE2 TYR A 231 28.595 61.931 144.057 1.00 19.66 C +ATOM 1797 CZ TYR A 231 28.245 61.912 142.731 1.00 21.38 C +ATOM 1798 OH TYR A 231 28.325 60.777 142.000 1.00 26.00 O +ATOM 1799 N VAL A 232 25.079 65.274 146.549 1.00 22.69 N +ATOM 1800 CA VAL A 232 23.963 64.397 146.937 1.00 22.27 C +ATOM 1801 C VAL A 232 22.604 64.950 146.622 1.00 23.55 C +ATOM 1802 O VAL A 232 21.667 64.141 146.434 1.00 23.90 O +ATOM 1803 CB VAL A 232 23.977 63.882 148.421 1.00 24.26 C +ATOM 1804 CG1 VAL A 232 25.211 63.059 148.680 1.00 20.38 C +ATOM 1805 CG2 VAL A 232 23.843 65.004 149.413 1.00 23.96 C +ATOM 1806 N LYS A 233 22.454 66.276 146.501 1.00 23.25 N +ATOM 1807 CA LYS A 233 21.122 66.828 146.251 1.00 24.58 C +ATOM 1808 C LYS A 233 20.414 66.274 145.010 1.00 22.81 C +ATOM 1809 O LYS A 233 19.240 65.923 145.090 1.00 23.77 O +ATOM 1810 CB LYS A 233 21.103 68.374 146.197 1.00 23.78 C +ATOM 1811 CG LYS A 233 19.676 68.917 146.425 1.00 32.86 C +ATOM 1812 CD LYS A 233 19.608 70.017 147.456 1.00 37.21 C +ATOM 1813 CE LYS A 233 18.159 70.427 147.798 1.00 42.52 C +ATOM 1814 NZ LYS A 233 17.370 69.367 148.518 1.00 38.71 N +ATOM 1815 N PRO A 234 21.092 66.247 143.848 1.00 21.66 N +ATOM 1816 CA PRO A 234 20.417 65.653 142.684 1.00 22.28 C +ATOM 1817 C PRO A 234 20.313 64.113 142.742 1.00 20.78 C +ATOM 1818 O PRO A 234 19.443 63.540 142.129 1.00 20.84 O +ATOM 1819 CB PRO A 234 21.295 66.098 141.506 1.00 23.47 C +ATOM 1820 CG PRO A 234 22.672 66.292 142.108 1.00 20.21 C +ATOM 1821 CD PRO A 234 22.423 66.783 143.515 1.00 23.05 C +ATOM 1822 N ILE A 235 21.204 63.461 143.472 1.00 21.76 N +ATOM 1823 CA ILE A 235 21.133 61.997 143.666 1.00 20.76 C +ATOM 1824 C ILE A 235 19.852 61.664 144.447 1.00 20.86 C +ATOM 1825 O ILE A 235 19.041 60.800 144.040 1.00 22.33 O +ATOM 1826 CB ILE A 235 22.380 61.446 144.398 1.00 22.85 C +ATOM 1827 CG1 ILE A 235 23.617 61.638 143.516 1.00 19.21 C +ATOM 1828 CG2 ILE A 235 22.224 59.929 144.701 1.00 20.71 C +ATOM 1829 CD1 ILE A 235 24.952 61.349 144.192 1.00 17.19 C +ATOM 1830 N VAL A 236 19.650 62.387 145.546 1.00 20.70 N +ATOM 1831 CA VAL A 236 18.460 62.214 146.382 1.00 20.32 C +ATOM 1832 C VAL A 236 17.195 62.502 145.577 1.00 21.69 C +ATOM 1833 O VAL A 236 16.207 61.775 145.677 1.00 22.30 O +ATOM 1834 CB VAL A 236 18.526 63.085 147.650 1.00 19.51 C +ATOM 1835 CG1 VAL A 236 17.168 63.247 148.257 1.00 18.68 C +ATOM 1836 CG2 VAL A 236 19.495 62.476 148.636 1.00 18.83 C +ATOM 1837 N GLU A 237 17.230 63.535 144.754 1.00 22.86 N +ATOM 1838 CA GLU A 237 16.058 63.928 143.975 1.00 23.07 C +ATOM 1839 C GLU A 237 15.697 62.875 142.967 1.00 21.80 C +ATOM 1840 O GLU A 237 14.528 62.554 142.817 1.00 21.44 O +ATOM 1841 CB GLU A 237 16.319 65.262 143.266 1.00 24.57 C +ATOM 1842 CG GLU A 237 15.077 65.929 142.763 1.00 30.83 C +ATOM 1843 CD GLU A 237 14.633 65.355 141.452 1.00 35.33 C +ATOM 1844 OE1 GLU A 237 15.516 65.016 140.635 1.00 42.72 O +ATOM 1845 OE2 GLU A 237 13.412 65.234 141.244 1.00 36.54 O +ATOM 1846 N LYS A 238 16.731 62.346 142.284 1.00 22.49 N +ATOM 1847 CA LYS A 238 16.589 61.311 141.256 1.00 23.32 C +ATOM 1848 C LYS A 238 16.089 60.018 141.860 1.00 22.20 C +ATOM 1849 O LYS A 238 15.181 59.385 141.310 1.00 21.90 O +ATOM 1850 CB LYS A 238 17.911 61.074 140.516 1.00 23.69 C +ATOM 1851 CG LYS A 238 18.180 62.035 139.366 1.00 27.37 C +ATOM 1852 CD LYS A 238 19.408 61.625 138.535 1.00 32.64 C +ATOM 1853 CE LYS A 238 19.803 62.737 137.566 1.00 44.84 C +ATOM 1854 NZ LYS A 238 18.652 63.187 136.696 1.00 46.39 N +ATOM 1855 N LEU A 239 16.643 59.647 143.009 1.00 22.13 N +ATOM 1856 CA LEU A 239 16.162 58.439 143.725 1.00 21.27 C +ATOM 1857 C LEU A 239 14.723 58.598 144.209 1.00 20.89 C +ATOM 1858 O LEU A 239 13.927 57.685 144.022 1.00 20.93 O +ATOM 1859 CB LEU A 239 17.078 58.068 144.907 1.00 20.41 C +ATOM 1860 CG LEU A 239 18.394 57.399 144.528 1.00 21.48 C +ATOM 1861 CD1 LEU A 239 19.397 57.354 145.737 1.00 20.09 C +ATOM 1862 CD2 LEU A 239 18.094 55.999 143.944 1.00 20.51 C +ATOM 1863 N ALA A 240 14.380 59.743 144.812 1.00 20.93 N +ATOM 1864 CA ALA A 240 12.994 60.027 145.235 1.00 20.43 C +ATOM 1865 C ALA A 240 12.043 59.829 144.091 1.00 20.46 C +ATOM 1866 O ALA A 240 10.994 59.210 144.250 1.00 22.74 O +ATOM 1867 CB ALA A 240 12.849 61.470 145.817 1.00 19.01 C +ATOM 1868 N GLY A 241 12.409 60.359 142.925 1.00 21.11 N +ATOM 1869 CA GLY A 241 11.631 60.189 141.714 1.00 21.35 C +ATOM 1870 C GLY A 241 11.468 58.745 141.284 1.00 21.74 C +ATOM 1871 O GLY A 241 10.382 58.371 140.856 1.00 21.78 O +ATOM 1872 N LEU A 242 12.558 57.959 141.353 1.00 21.18 N +ATOM 1873 CA LEU A 242 12.497 56.506 141.133 1.00 20.81 C +ATOM 1874 C LEU A 242 11.462 55.851 142.082 1.00 21.64 C +ATOM 1875 O LEU A 242 10.582 55.090 141.635 1.00 21.56 O +ATOM 1876 CB LEU A 242 13.886 55.845 141.289 1.00 18.36 C +ATOM 1877 CG LEU A 242 13.882 54.306 141.186 1.00 22.01 C +ATOM 1878 CD1 LEU A 242 13.405 53.862 139.803 1.00 20.96 C +ATOM 1879 CD2 LEU A 242 15.212 53.683 141.501 1.00 20.91 C +ATOM 1880 N PHE A 243 11.570 56.140 143.380 1.00 22.25 N +ATOM 1881 CA PHE A 243 10.659 55.554 144.383 1.00 23.30 C +ATOM 1882 C PHE A 243 9.202 55.852 144.006 1.00 23.87 C +ATOM 1883 O PHE A 243 8.356 54.974 144.028 1.00 25.01 O +ATOM 1884 CB PHE A 243 10.912 56.078 145.805 1.00 22.28 C +ATOM 1885 CG PHE A 243 12.307 55.861 146.331 1.00 19.32 C +ATOM 1886 CD1 PHE A 243 13.231 55.050 145.682 1.00 27.73 C +ATOM 1887 CD2 PHE A 243 12.699 56.482 147.496 1.00 24.62 C +ATOM 1888 CE1 PHE A 243 14.535 54.873 146.189 1.00 22.64 C +ATOM 1889 CE2 PHE A 243 14.014 56.302 148.026 1.00 22.98 C +ATOM 1890 CZ PHE A 243 14.920 55.498 147.357 1.00 22.96 C +ATOM 1891 N GLU A 244 8.942 57.107 143.663 1.00 23.78 N +ATOM 1892 CA GLU A 244 7.632 57.569 143.305 1.00 24.69 C +ATOM 1893 C GLU A 244 7.089 56.821 142.114 1.00 24.54 C +ATOM 1894 O GLU A 244 5.943 56.382 142.121 1.00 25.38 O +ATOM 1895 CB GLU A 244 7.669 59.073 143.015 1.00 25.54 C +ATOM 1896 CG GLU A 244 7.843 59.882 144.312 1.00 27.73 C +ATOM 1897 CD GLU A 244 8.176 61.351 144.124 1.00 28.61 C +ATOM 1898 OE1 GLU A 244 8.546 61.768 142.998 1.00 32.60 O +ATOM 1899 OE2 GLU A 244 8.045 62.087 145.131 1.00 32.30 O +ATOM 1900 N GLU A 245 7.926 56.666 141.093 1.00 24.92 N +ATOM 1901 CA GLU A 245 7.496 55.997 139.851 1.00 25.51 C +ATOM 1902 C GLU A 245 7.258 54.486 140.084 1.00 26.16 C +ATOM 1903 O GLU A 245 6.321 53.916 139.540 1.00 27.19 O +ATOM 1904 CB GLU A 245 8.519 56.251 138.734 1.00 23.54 C +ATOM 1905 CG GLU A 245 8.545 57.678 138.187 1.00 28.01 C +ATOM 1906 CD GLU A 245 9.857 58.054 137.489 1.00 28.61 C +ATOM 1907 OE1 GLU A 245 10.745 57.185 137.348 1.00 30.98 O +ATOM 1908 OE2 GLU A 245 10.013 59.234 137.097 1.00 33.96 O +HETATM 1909 N MSE A 246 8.121 53.855 140.891 1.00 26.58 N +HETATM 1910 CA MSE A 246 7.969 52.443 141.313 1.00 26.14 C +HETATM 1911 C MSE A 246 6.676 52.207 142.069 1.00 28.44 C +HETATM 1912 O MSE A 246 6.053 51.156 141.914 1.00 28.98 O +HETATM 1913 CB MSE A 246 9.132 52.018 142.204 1.00 25.30 C +HETATM 1914 CG MSE A 246 10.422 51.843 141.451 1.00 25.97 C +HETATM 1915 SE MSE A 246 11.938 51.287 142.514 0.75 27.72 SE +HETATM 1916 CE MSE A 246 11.211 49.350 142.947 1.00 24.46 C +ATOM 1917 N ALA A 247 6.291 53.173 142.911 1.00 29.94 N +ATOM 1918 CA ALA A 247 5.037 53.105 143.658 1.00 30.67 C +ATOM 1919 C ALA A 247 3.854 53.347 142.731 1.00 30.83 C +ATOM 1920 O ALA A 247 2.800 52.744 142.902 1.00 31.38 O +ATOM 1921 CB ALA A 247 5.020 54.137 144.828 1.00 30.34 C +ATOM 1922 N GLN A 248 4.038 54.198 141.730 1.00 30.21 N +ATOM 1923 CA GLN A 248 2.918 54.681 140.928 1.00 33.42 C +ATOM 1924 C GLN A 248 2.698 54.011 139.540 1.00 33.87 C +ATOM 1925 O GLN A 248 1.643 54.228 138.914 1.00 34.56 O +ATOM 1926 CB GLN A 248 3.027 56.213 140.794 1.00 33.12 C +ATOM 1927 CG GLN A 248 2.975 56.888 142.207 1.00 37.97 C +ATOM 1928 CD GLN A 248 3.084 58.415 142.211 1.00 38.83 C +ATOM 1929 OE1 GLN A 248 3.800 59.023 141.403 1.00 45.62 O +ATOM 1930 NE2 GLN A 248 2.375 59.037 143.152 1.00 42.30 N +ATOM 1931 N HIS A 249 3.658 53.209 139.064 1.00 33.21 N +ATOM 1932 CA HIS A 249 3.521 52.538 137.766 1.00 33.08 C +ATOM 1933 C HIS A 249 3.906 51.075 137.831 1.00 32.38 C +ATOM 1934 O HIS A 249 4.730 50.670 138.630 1.00 33.06 O +ATOM 1935 CB HIS A 249 4.398 53.209 136.702 1.00 34.36 C +ATOM 1936 CG HIS A 249 4.023 54.628 136.389 1.00 35.66 C +ATOM 1937 ND1 HIS A 249 3.005 54.958 135.515 1.00 37.00 N +ATOM 1938 CD2 HIS A 249 4.562 55.800 136.802 1.00 36.57 C +ATOM 1939 CE1 HIS A 249 2.926 56.273 135.416 1.00 41.21 C +ATOM 1940 NE2 HIS A 249 3.860 56.807 136.186 1.00 38.31 N +ATOM 1941 N ASP A 250 3.285 50.281 136.969 1.00 32.34 N +ATOM 1942 CA ASP A 250 3.731 48.922 136.722 1.00 31.49 C +ATOM 1943 C ASP A 250 5.035 48.993 135.936 1.00 28.27 C +ATOM 1944 O ASP A 250 5.371 50.028 135.371 1.00 27.43 O +ATOM 1945 CB ASP A 250 2.634 48.157 135.956 1.00 34.28 C +ATOM 1946 CG ASP A 250 1.315 48.041 136.758 1.00 40.33 C +ATOM 1947 OD1 ASP A 250 1.341 48.304 137.992 1.00 44.67 O +ATOM 1948 OD2 ASP A 250 0.269 47.683 136.163 1.00 47.15 O +ATOM 1949 N LEU A 251 5.788 47.902 135.909 1.00 26.39 N +ATOM 1950 CA LEU A 251 7.047 47.881 135.177 1.00 26.04 C +ATOM 1951 C LEU A 251 6.789 48.201 133.681 1.00 25.96 C +ATOM 1952 O LEU A 251 7.515 48.997 133.053 1.00 24.02 O +ATOM 1953 CB LEU A 251 7.766 46.541 135.391 1.00 25.80 C +ATOM 1954 CG LEU A 251 9.139 46.417 134.756 1.00 25.10 C +ATOM 1955 CD1 LEU A 251 10.074 47.559 135.255 1.00 18.64 C +ATOM 1956 CD2 LEU A 251 9.701 45.037 135.019 1.00 23.15 C +ATOM 1957 N TYR A 252 5.732 47.607 133.148 1.00 26.64 N +ATOM 1958 CA TYR A 252 5.269 47.873 131.784 1.00 28.46 C +ATOM 1959 C TYR A 252 3.785 48.166 131.817 1.00 31.57 C +ATOM 1960 O TYR A 252 3.049 47.604 132.624 1.00 31.75 O +ATOM 1961 CB TYR A 252 5.501 46.682 130.836 1.00 27.44 C +ATOM 1962 CG TYR A 252 6.942 46.376 130.569 1.00 25.01 C +ATOM 1963 CD1 TYR A 252 7.632 46.996 129.530 1.00 24.79 C +ATOM 1964 CD2 TYR A 252 7.628 45.432 131.336 1.00 25.16 C +ATOM 1965 CE1 TYR A 252 8.975 46.716 129.296 1.00 23.95 C +ATOM 1966 CE2 TYR A 252 8.972 45.134 131.086 1.00 19.92 C +ATOM 1967 CZ TYR A 252 9.636 45.785 130.084 1.00 22.96 C +ATOM 1968 OH TYR A 252 10.952 45.464 129.854 1.00 21.95 O +ATOM 1969 N GLU A 253 3.364 49.050 130.929 1.00 36.67 N +ATOM 1970 CA GLU A 253 1.968 49.497 130.826 1.00 41.35 C +ATOM 1971 C GLU A 253 1.654 49.753 129.353 1.00 44.41 C +ATOM 1972 O GLU A 253 2.289 49.176 128.471 1.00 46.19 O +ATOM 1973 CB GLU A 253 1.757 50.792 131.629 1.00 42.34 C +ATOM 1974 CG GLU A 253 2.043 50.680 133.144 1.00 43.45 C +ATOM 1975 CD GLU A 253 1.837 51.995 133.902 1.00 43.76 C +ATOM 1976 OE1 GLU A 253 2.062 53.092 133.309 1.00 46.33 O +ATOM 1977 OE2 GLU A 253 1.453 51.917 135.098 1.00 48.21 O +ATOM 1978 OXT GLU A 253 0.805 50.561 128.973 1.00 45.83 O +TER 1979 GLU A 253 +HETATM 1980 N MSE B 1 32.302 57.954 171.595 1.00 39.45 N +HETATM 1981 CA MSE B 1 32.821 57.433 170.287 1.00 40.15 C +HETATM 1982 C MSE B 1 34.225 56.908 170.505 1.00 37.58 C +HETATM 1983 O MSE B 1 35.120 57.663 170.920 1.00 37.91 O +HETATM 1984 CB MSE B 1 32.849 58.535 169.206 1.00 40.32 C +HETATM 1985 CG MSE B 1 33.130 58.025 167.776 1.00 42.82 C +HETATM 1986 SE MSE B 1 33.739 59.348 166.370 0.75 49.18 SE +HETATM 1987 CE MSE B 1 32.191 60.627 166.500 1.00 43.41 C +ATOM 1988 N ASN B 2 34.437 55.622 170.239 1.00 33.76 N +ATOM 1989 CA ASN B 2 35.759 55.032 170.491 1.00 31.24 C +ATOM 1990 C ASN B 2 36.277 54.243 169.305 1.00 29.78 C +ATOM 1991 O ASN B 2 36.024 53.038 169.163 1.00 28.01 O +ATOM 1992 CB ASN B 2 35.739 54.164 171.763 1.00 31.99 C +ATOM 1993 CG ASN B 2 37.132 53.789 172.234 1.00 30.88 C +ATOM 1994 OD1 ASN B 2 38.062 53.724 171.442 1.00 34.38 O +ATOM 1995 ND2 ASN B 2 37.277 53.531 173.536 1.00 31.85 N +ATOM 1996 N LYS B 3 37.045 54.934 168.471 1.00 29.16 N +ATOM 1997 CA LYS B 3 37.653 54.353 167.269 1.00 30.11 C +ATOM 1998 C LYS B 3 38.640 53.226 167.557 1.00 28.64 C +ATOM 1999 O LYS B 3 38.995 52.455 166.648 1.00 28.15 O +ATOM 2000 CB LYS B 3 38.366 55.432 166.435 1.00 31.86 C +ATOM 2001 CG LYS B 3 37.418 56.456 165.825 1.00 34.65 C +ATOM 2002 CD LYS B 3 38.040 57.244 164.668 1.00 33.86 C +ATOM 2003 CE LYS B 3 37.002 58.225 164.089 1.00 38.30 C +ATOM 2004 NZ LYS B 3 37.293 58.650 162.688 1.00 33.60 N +ATOM 2005 N GLU B 4 39.067 53.104 168.812 1.00 28.04 N +ATOM 2006 CA GLU B 4 40.030 52.063 169.180 1.00 27.75 C +ATOM 2007 C GLU B 4 39.406 50.660 169.219 1.00 23.94 C +ATOM 2008 O GLU B 4 40.043 49.694 168.842 1.00 24.60 O +ATOM 2009 CB GLU B 4 40.647 52.375 170.551 1.00 28.40 C +ATOM 2010 CG GLU B 4 41.956 51.569 170.833 1.00 31.04 C +ATOM 2011 CD GLU B 4 42.861 52.214 171.873 1.00 31.47 C +ATOM 2012 OE1 GLU B 4 42.458 53.218 172.505 1.00 41.01 O +ATOM 2013 OE2 GLU B 4 43.988 51.711 172.049 1.00 33.31 O +ATOM 2014 N VAL B 5 38.177 50.557 169.731 1.00 22.25 N +ATOM 2015 CA VAL B 5 37.530 49.257 169.973 1.00 21.01 C +ATOM 2016 C VAL B 5 36.163 49.093 169.294 1.00 20.65 C +ATOM 2017 O VAL B 5 35.542 48.030 169.403 1.00 20.26 O +ATOM 2018 CB VAL B 5 37.398 48.994 171.506 1.00 21.44 C +ATOM 2019 CG1 VAL B 5 38.755 49.206 172.192 1.00 21.01 C +ATOM 2020 CG2 VAL B 5 36.309 49.871 172.132 1.00 18.43 C +ATOM 2021 N ASP B 6 35.713 50.117 168.581 1.00 19.55 N +ATOM 2022 CA ASP B 6 34.455 50.064 167.900 1.00 19.37 C +ATOM 2023 C ASP B 6 34.626 50.270 166.401 1.00 19.92 C +ATOM 2024 O ASP B 6 34.728 51.403 165.964 1.00 20.91 O +ATOM 2025 CB ASP B 6 33.547 51.139 168.440 1.00 19.34 C +ATOM 2026 CG ASP B 6 32.133 50.994 167.956 1.00 21.82 C +ATOM 2027 OD1 ASP B 6 31.872 50.069 167.133 1.00 25.80 O +ATOM 2028 OD2 ASP B 6 31.272 51.791 168.421 1.00 23.01 O +ATOM 2029 N LEU B 7 34.605 49.194 165.608 1.00 18.87 N +ATOM 2030 CA LEU B 7 34.795 49.319 164.157 1.00 19.81 C +ATOM 2031 C LEU B 7 33.736 50.178 163.472 1.00 21.08 C +ATOM 2032 O LEU B 7 34.027 50.832 162.453 1.00 22.49 O +ATOM 2033 CB LEU B 7 34.810 47.949 163.462 1.00 19.92 C +ATOM 2034 CG LEU B 7 35.549 47.927 162.126 1.00 18.39 C +ATOM 2035 CD1 LEU B 7 37.055 47.929 162.400 1.00 11.95 C +ATOM 2036 CD2 LEU B 7 35.131 46.729 161.310 1.00 12.60 C +ATOM 2037 N SER B 8 32.516 50.185 164.021 1.00 21.07 N +ATOM 2038 CA SER B 8 31.423 50.931 163.434 1.00 22.15 C +ATOM 2039 C SER B 8 31.713 52.416 163.279 1.00 22.80 C +ATOM 2040 O SER B 8 31.092 53.070 162.425 1.00 23.51 O +ATOM 2041 CB SER B 8 30.140 50.697 164.237 1.00 23.03 C +ATOM 2042 OG SER B 8 29.880 49.298 164.202 1.00 25.88 O +ATOM 2043 N VAL B 9 32.669 52.931 164.059 1.00 22.22 N +ATOM 2044 CA VAL B 9 33.087 54.343 163.956 1.00 22.94 C +ATOM 2045 C VAL B 9 34.567 54.490 163.573 1.00 23.93 C +ATOM 2046 O VAL B 9 35.044 55.601 163.375 1.00 27.53 O +ATOM 2047 CB VAL B 9 32.795 55.162 165.290 1.00 22.10 C +ATOM 2048 CG1 VAL B 9 31.298 55.181 165.601 1.00 20.97 C +ATOM 2049 CG2 VAL B 9 33.610 54.642 166.489 1.00 19.28 C +ATOM 2050 N SER B 10 35.292 53.382 163.479 1.00 23.00 N +ATOM 2051 CA SER B 10 36.748 53.426 163.364 1.00 21.95 C +ATOM 2052 C SER B 10 37.219 53.550 161.917 1.00 23.24 C +ATOM 2053 O SER B 10 36.417 53.475 160.974 1.00 22.62 O +ATOM 2054 CB SER B 10 37.379 52.199 164.013 1.00 24.69 C +ATOM 2055 OG SER B 10 38.769 52.369 164.142 1.00 27.96 O +ATOM 2056 N CYS B 11 38.524 53.801 161.758 1.00 23.10 N +ATOM 2057 CA CYS B 11 39.149 53.900 160.440 1.00 23.44 C +ATOM 2058 C CYS B 11 40.532 53.267 160.471 1.00 23.31 C +ATOM 2059 O CYS B 11 41.093 53.052 161.538 1.00 23.88 O +ATOM 2060 CB CYS B 11 39.261 55.347 159.969 1.00 24.14 C +ATOM 2061 SG CYS B 11 40.210 56.387 161.084 1.00 26.60 S +ATOM 2062 N LEU B 12 41.070 52.972 159.293 1.00 23.72 N +ATOM 2063 CA LEU B 12 42.346 52.255 159.202 1.00 24.05 C +ATOM 2064 C LEU B 12 43.469 53.031 159.884 1.00 25.43 C +ATOM 2065 O LEU B 12 44.316 52.445 160.543 1.00 26.86 O +ATOM 2066 CB LEU B 12 42.721 51.907 157.744 1.00 24.68 C +ATOM 2067 CG LEU B 12 44.026 51.109 157.519 1.00 24.56 C +ATOM 2068 CD1 LEU B 12 43.997 49.796 158.280 1.00 24.08 C +ATOM 2069 CD2 LEU B 12 44.340 50.811 156.035 1.00 25.19 C +ATOM 2070 N GLY B 13 43.481 54.348 159.755 1.00 26.73 N +ATOM 2071 CA GLY B 13 44.484 55.172 160.441 1.00 27.19 C +ATOM 2072 C GLY B 13 44.556 54.952 161.962 1.00 28.60 C +ATOM 2073 O GLY B 13 45.663 54.889 162.522 1.00 28.63 O +ATOM 2074 N LYS B 14 43.403 54.810 162.626 1.00 28.68 N +ATOM 2075 CA LYS B 14 43.381 54.633 164.079 1.00 30.23 C +ATOM 2076 C LYS B 14 43.741 53.219 164.486 1.00 30.97 C +ATOM 2077 O LYS B 14 44.302 53.031 165.558 1.00 35.48 O +ATOM 2078 CB LYS B 14 42.051 55.075 164.717 1.00 32.49 C +ATOM 2079 N VAL B 15 43.513 52.234 163.620 1.00 29.52 N +ATOM 2080 CA VAL B 15 43.728 50.835 163.993 1.00 28.56 C +ATOM 2081 C VAL B 15 45.054 50.241 163.538 1.00 29.31 C +ATOM 2082 O VAL B 15 45.556 49.317 164.193 1.00 27.45 O +ATOM 2083 CB VAL B 15 42.542 49.857 163.538 1.00 29.05 C +ATOM 2084 CG1 VAL B 15 41.213 50.370 163.987 1.00 27.08 C +ATOM 2085 CG2 VAL B 15 42.517 49.604 162.047 1.00 26.64 C +ATOM 2086 N LYS B 16 45.633 50.747 162.449 1.00 30.95 N +ATOM 2087 CA LYS B 16 46.671 49.969 161.735 1.00 34.83 C +ATOM 2088 C LYS B 16 47.992 49.698 162.484 1.00 35.09 C +ATOM 2089 O LYS B 16 48.688 48.711 162.183 1.00 35.42 O +ATOM 2090 CB LYS B 16 46.937 50.501 160.314 1.00 35.49 C +ATOM 2091 CG LYS B 16 47.883 51.697 160.169 1.00 39.56 C +ATOM 2092 CD LYS B 16 48.506 51.725 158.747 1.00 40.79 C +ATOM 2093 CE LYS B 16 49.652 52.723 158.672 1.00 50.57 C +ATOM 2094 NZ LYS B 16 49.146 54.113 158.800 1.00 56.36 N +ATOM 2095 N GLU B 17 48.322 50.536 163.460 1.00 36.21 N +ATOM 2096 CA GLU B 17 49.571 50.362 164.230 1.00 40.18 C +ATOM 2097 C GLU B 17 49.372 49.635 165.561 1.00 38.58 C +ATOM 2098 O GLU B 17 50.354 49.334 166.242 1.00 39.33 O +ATOM 2099 CB GLU B 17 50.237 51.718 164.468 1.00 41.72 C +ATOM 2100 CG GLU B 17 50.642 52.428 163.161 1.00 49.56 C +ATOM 2101 CD GLU B 17 51.446 53.696 163.383 1.00 51.95 C +ATOM 2102 OE1 GLU B 17 52.528 53.638 164.014 1.00 60.19 O +ATOM 2103 OE2 GLU B 17 50.992 54.756 162.903 1.00 61.62 O +ATOM 2104 N LEU B 18 48.112 49.338 165.905 1.00 35.55 N +ATOM 2105 CA LEU B 18 47.758 48.734 167.201 1.00 32.94 C +ATOM 2106 C LEU B 18 47.585 47.210 167.134 1.00 31.74 C +ATOM 2107 O LEU B 18 47.104 46.674 166.129 1.00 32.58 O +ATOM 2108 CB LEU B 18 46.474 49.365 167.737 1.00 31.34 C +ATOM 2109 CG LEU B 18 46.479 50.877 167.876 1.00 30.21 C +ATOM 2110 CD1 LEU B 18 45.137 51.403 168.392 1.00 25.57 C +ATOM 2111 CD2 LEU B 18 47.614 51.295 168.818 1.00 31.70 C +ATOM 2112 N LYS B 19 47.974 46.526 168.209 1.00 30.24 N +ATOM 2113 CA LYS B 19 47.814 45.087 168.336 1.00 29.69 C +ATOM 2114 C LYS B 19 46.438 44.793 168.946 1.00 27.13 C +ATOM 2115 O LYS B 19 46.049 45.434 169.918 1.00 24.28 O +ATOM 2116 CB LYS B 19 48.926 44.506 169.226 1.00 31.64 C +ATOM 2117 CG LYS B 19 48.705 43.047 169.739 1.00 38.72 C +ATOM 2118 CD LYS B 19 49.632 42.038 169.054 1.00 48.07 C +ATOM 2119 CE LYS B 19 49.640 40.663 169.776 1.00 53.93 C +ATOM 2120 NZ LYS B 19 48.529 39.753 169.326 1.00 55.16 N +ATOM 2121 N TYR B 20 45.698 43.855 168.353 1.00 25.29 N +ATOM 2122 CA TYR B 20 44.373 43.476 168.860 1.00 24.24 C +ATOM 2123 C TYR B 20 44.442 42.034 169.293 1.00 23.93 C +ATOM 2124 O TYR B 20 44.962 41.193 168.574 1.00 26.28 O +ATOM 2125 CB TYR B 20 43.267 43.692 167.815 1.00 24.24 C +ATOM 2126 CG TYR B 20 42.936 45.136 167.637 1.00 22.47 C +ATOM 2127 CD1 TYR B 20 43.615 45.910 166.725 1.00 19.36 C +ATOM 2128 CD2 TYR B 20 41.958 45.745 168.428 1.00 22.24 C +ATOM 2129 CE1 TYR B 20 43.350 47.245 166.588 1.00 20.30 C +ATOM 2130 CE2 TYR B 20 41.683 47.064 168.300 1.00 18.37 C +ATOM 2131 CZ TYR B 20 42.391 47.825 167.385 1.00 20.22 C +ATOM 2132 OH TYR B 20 42.104 49.175 167.256 1.00 22.71 O +ATOM 2133 N ASP B 21 43.963 41.754 170.492 1.00 24.70 N +ATOM 2134 CA ASP B 21 44.082 40.427 171.088 1.00 26.20 C +ATOM 2135 C ASP B 21 42.850 39.573 170.792 1.00 26.23 C +ATOM 2136 O ASP B 21 42.966 38.410 170.381 1.00 27.70 O +ATOM 2137 CB ASP B 21 44.251 40.576 172.607 1.00 28.41 C +ATOM 2138 CG ASP B 21 45.564 41.294 172.986 1.00 33.13 C +ATOM 2139 OD1 ASP B 21 46.630 40.761 172.640 1.00 36.49 O +ATOM 2140 OD2 ASP B 21 45.532 42.384 173.620 1.00 38.95 O +ATOM 2141 N VAL B 22 41.672 40.148 171.008 1.00 24.79 N +ATOM 2142 CA VAL B 22 40.397 39.423 170.765 1.00 23.10 C +ATOM 2143 C VAL B 22 39.507 40.202 169.817 1.00 21.74 C +ATOM 2144 O VAL B 22 39.431 41.426 169.906 1.00 20.71 O +ATOM 2145 CB VAL B 22 39.642 39.129 172.078 1.00 25.42 C +ATOM 2146 CG1 VAL B 22 38.410 38.191 171.837 1.00 20.93 C +ATOM 2147 CG2 VAL B 22 40.569 38.510 173.095 1.00 22.94 C +ATOM 2148 N ILE B 23 38.843 39.485 168.902 1.00 20.04 N +ATOM 2149 CA ILE B 23 37.791 40.071 168.075 1.00 18.33 C +ATOM 2150 C ILE B 23 36.456 39.687 168.698 1.00 18.13 C +ATOM 2151 O ILE B 23 36.286 38.555 169.137 1.00 18.74 O +ATOM 2152 CB ILE B 23 37.837 39.577 166.596 1.00 19.54 C +ATOM 2153 CG1 ILE B 23 39.242 39.794 165.958 1.00 19.97 C +ATOM 2154 CG2 ILE B 23 36.658 40.233 165.770 1.00 15.61 C +ATOM 2155 CD1 ILE B 23 39.721 41.227 165.987 1.00 24.46 C +ATOM 2156 N ILE B 24 35.522 40.634 168.764 1.00 17.80 N +ATOM 2157 CA ILE B 24 34.192 40.390 169.307 1.00 17.08 C +ATOM 2158 C ILE B 24 33.197 40.664 168.191 1.00 17.28 C +ATOM 2159 O ILE B 24 33.223 41.754 167.569 1.00 17.35 O +ATOM 2160 CB ILE B 24 33.860 41.353 170.497 1.00 19.24 C +ATOM 2161 CG1 ILE B 24 35.049 41.485 171.481 1.00 22.88 C +ATOM 2162 CG2 ILE B 24 32.534 40.931 171.176 1.00 16.45 C +ATOM 2163 CD1 ILE B 24 35.482 40.137 172.206 1.00 28.08 C +ATOM 2164 N LEU B 25 32.332 39.688 167.930 1.00 17.18 N +ATOM 2165 CA LEU B 25 31.328 39.801 166.892 1.00 17.40 C +ATOM 2166 C LEU B 25 29.902 39.874 167.489 1.00 17.76 C +ATOM 2167 O LEU B 25 29.342 38.853 167.900 1.00 18.79 O +ATOM 2168 CB LEU B 25 31.479 38.622 165.926 1.00 18.76 C +ATOM 2169 CG LEU B 25 30.543 38.547 164.717 1.00 15.76 C +ATOM 2170 CD1 LEU B 25 30.768 39.689 163.742 1.00 13.14 C +ATOM 2171 CD2 LEU B 25 30.691 37.172 164.020 1.00 15.61 C +ATOM 2172 N PRO B 26 29.309 41.085 167.549 1.00 18.60 N +ATOM 2173 CA PRO B 26 27.907 41.180 168.008 1.00 18.79 C +ATOM 2174 C PRO B 26 26.997 40.602 166.964 1.00 18.59 C +ATOM 2175 O PRO B 26 27.166 40.909 165.804 1.00 18.61 O +ATOM 2176 CB PRO B 26 27.690 42.698 168.120 1.00 17.47 C +ATOM 2177 CG PRO B 26 29.182 43.260 168.140 1.00 16.97 C +ATOM 2178 CD PRO B 26 29.825 42.423 167.192 1.00 17.75 C +ATOM 2179 N TRP B 27 26.055 39.755 167.373 1.00 18.83 N +ATOM 2180 CA TRP B 27 25.188 39.083 166.429 1.00 17.48 C +ATOM 2181 C TRP B 27 23.740 39.195 166.910 1.00 16.58 C +ATOM 2182 O TRP B 27 23.370 38.710 167.976 1.00 16.61 O +ATOM 2183 CB TRP B 27 25.640 37.625 166.210 1.00 17.87 C +ATOM 2184 CG TRP B 27 25.140 37.018 164.907 1.00 15.40 C +ATOM 2185 CD1 TRP B 27 23.854 37.048 164.447 1.00 13.83 C +ATOM 2186 CD2 TRP B 27 25.901 36.291 163.914 1.00 12.06 C +ATOM 2187 NE1 TRP B 27 23.769 36.405 163.241 1.00 13.05 N +ATOM 2188 CE2 TRP B 27 25.007 35.932 162.892 1.00 16.58 C +ATOM 2189 CE3 TRP B 27 27.248 35.929 163.779 1.00 18.13 C +ATOM 2190 CZ2 TRP B 27 25.410 35.208 161.759 1.00 17.27 C +ATOM 2191 CZ3 TRP B 27 27.644 35.212 162.652 1.00 15.99 C +ATOM 2192 CH2 TRP B 27 26.729 34.865 161.657 1.00 15.52 C +ATOM 2193 N GLY B 28 22.937 39.889 166.120 1.00 16.17 N +ATOM 2194 CA GLY B 28 21.580 40.167 166.495 1.00 16.94 C +ATOM 2195 C GLY B 28 20.554 39.561 165.575 1.00 16.70 C +ATOM 2196 O GLY B 28 20.634 38.387 165.196 1.00 16.49 O +ATOM 2197 N ALA B 29 19.574 40.403 165.261 1.00 17.66 N +ATOM 2198 CA ALA B 29 18.373 40.062 164.501 1.00 17.02 C +ATOM 2199 C ALA B 29 17.717 41.361 164.079 1.00 17.58 C +ATOM 2200 O ALA B 29 17.957 42.405 164.687 1.00 18.60 O +ATOM 2201 CB ALA B 29 17.432 39.260 165.346 1.00 13.57 C +ATOM 2202 N THR B 30 16.892 41.287 163.041 1.00 18.72 N +ATOM 2203 CA THR B 30 16.010 42.359 162.623 1.00 18.17 C +ATOM 2204 C THR B 30 14.586 41.902 162.918 1.00 19.79 C +ATOM 2205 O THR B 30 14.015 41.088 162.206 1.00 19.25 O +ATOM 2206 CB THR B 30 16.202 42.656 161.133 1.00 18.31 C +ATOM 2207 OG1 THR B 30 17.565 42.991 160.884 1.00 15.68 O +ATOM 2208 CG2 THR B 30 15.328 43.816 160.674 1.00 14.42 C +ATOM 2209 N GLU B 31 14.034 42.373 164.028 1.00 20.41 N +ATOM 2210 CA GLU B 31 12.938 41.657 164.699 1.00 20.74 C +ATOM 2211 C GLU B 31 12.083 42.615 165.505 1.00 20.91 C +ATOM 2212 O GLU B 31 12.627 43.386 166.313 1.00 21.95 O +ATOM 2213 CB GLU B 31 13.544 40.607 165.651 1.00 22.03 C +ATOM 2214 CG GLU B 31 12.506 39.803 166.409 1.00 18.79 C +ATOM 2215 CD GLU B 31 13.096 38.850 167.414 1.00 25.66 C +ATOM 2216 OE1 GLU B 31 14.179 39.173 167.960 1.00 20.05 O +ATOM 2217 OE2 GLU B 31 12.450 37.793 167.690 1.00 22.39 O +ATOM 2218 N PRO B 32 10.755 42.595 165.305 1.00 22.50 N +ATOM 2219 CA PRO B 32 9.932 43.460 166.143 1.00 21.86 C +ATOM 2220 C PRO B 32 10.033 43.056 167.612 1.00 21.45 C +ATOM 2221 O PRO B 32 10.103 41.844 167.943 1.00 20.06 O +ATOM 2222 CB PRO B 32 8.512 43.228 165.623 1.00 22.05 C +ATOM 2223 CG PRO B 32 8.663 42.600 164.288 1.00 25.00 C +ATOM 2224 CD PRO B 32 9.943 41.831 164.340 1.00 19.95 C +ATOM 2225 N HIS B 33 10.056 44.077 168.478 1.00 20.81 N +ATOM 2226 CA HIS B 33 10.208 43.893 169.922 1.00 19.78 C +ATOM 2227 C HIS B 33 9.064 44.581 170.662 1.00 20.55 C +ATOM 2228 O HIS B 33 9.203 45.721 171.087 1.00 18.39 O +ATOM 2229 CB HIS B 33 11.523 44.493 170.378 1.00 18.61 C +ATOM 2230 CG HIS B 33 12.679 43.588 170.225 1.00 18.27 C +ATOM 2231 ND1 HIS B 33 13.204 43.261 168.995 1.00 19.01 N +ATOM 2232 CD2 HIS B 33 13.423 42.940 171.142 1.00 19.13 C +ATOM 2233 CE1 HIS B 33 14.235 42.456 169.166 1.00 20.31 C +ATOM 2234 NE2 HIS B 33 14.385 42.238 170.457 1.00 21.74 N +ATOM 2235 N ASN B 34 7.946 43.882 170.817 1.00 20.83 N +ATOM 2236 CA ASN B 34 6.732 44.502 171.314 1.00 22.31 C +ATOM 2237 C ASN B 34 6.428 45.740 170.420 1.00 23.76 C +ATOM 2238 O ASN B 34 6.854 45.765 169.271 1.00 24.52 O +ATOM 2239 CB ASN B 34 6.890 44.843 172.811 1.00 22.49 C +ATOM 2240 CG ASN B 34 5.557 45.048 173.530 1.00 21.24 C +ATOM 2241 OD1 ASN B 34 4.655 45.698 172.997 1.00 18.07 O +ATOM 2242 ND2 ASN B 34 5.440 44.507 174.760 1.00 18.91 N +ATOM 2243 N LEU B 35 5.713 46.744 170.920 1.00 23.52 N +ATOM 2244 CA LEU B 35 5.471 47.943 170.150 1.00 23.26 C +ATOM 2245 C LEU B 35 6.542 49.038 170.393 1.00 22.17 C +ATOM 2246 O LEU B 35 6.712 49.930 169.584 1.00 24.69 O +ATOM 2247 CB LEU B 35 4.081 48.502 170.462 1.00 24.53 C +ATOM 2248 CG LEU B 35 2.816 47.655 170.252 1.00 24.71 C +ATOM 2249 CD1 LEU B 35 1.632 48.390 170.849 1.00 23.93 C +ATOM 2250 CD2 LEU B 35 2.551 47.359 168.775 1.00 23.90 C +ATOM 2251 N HIS B 36 7.300 48.936 171.470 1.00 22.31 N +ATOM 2252 CA HIS B 36 8.117 50.052 171.948 1.00 22.29 C +ATOM 2253 C HIS B 36 9.614 49.964 171.597 1.00 22.32 C +ATOM 2254 O HIS B 36 10.272 50.979 171.488 1.00 22.71 O +ATOM 2255 CB HIS B 36 7.926 50.218 173.465 1.00 22.55 C +ATOM 2256 CG HIS B 36 8.503 49.085 174.267 1.00 21.13 C +ATOM 2257 ND1 HIS B 36 8.118 47.777 174.090 1.00 17.90 N +ATOM 2258 CD2 HIS B 36 9.438 49.071 175.242 1.00 17.31 C +ATOM 2259 CE1 HIS B 36 8.810 47.003 174.899 1.00 20.83 C +ATOM 2260 NE2 HIS B 36 9.630 47.761 175.601 1.00 18.87 N +ATOM 2261 N LEU B 37 10.155 48.764 171.417 1.00 21.37 N +ATOM 2262 CA LEU B 37 11.610 48.620 171.312 1.00 20.67 C +ATOM 2263 C LEU B 37 12.098 48.572 169.852 1.00 20.13 C +ATOM 2264 O LEU B 37 11.352 48.132 168.949 1.00 19.60 O +ATOM 2265 CB LEU B 37 12.097 47.384 172.080 1.00 21.50 C +ATOM 2266 CG LEU B 37 12.451 47.464 173.575 1.00 19.27 C +ATOM 2267 CD1 LEU B 37 12.660 46.068 174.115 1.00 17.53 C +ATOM 2268 CD2 LEU B 37 13.682 48.333 173.811 1.00 20.67 C +ATOM 2269 N PRO B 38 13.332 49.045 169.606 1.00 20.72 N +ATOM 2270 CA PRO B 38 13.798 49.020 168.203 1.00 21.09 C +ATOM 2271 C PRO B 38 13.844 47.630 167.548 1.00 19.22 C +ATOM 2272 O PRO B 38 14.153 46.638 168.193 1.00 18.29 O +ATOM 2273 CB PRO B 38 15.219 49.609 168.288 1.00 22.99 C +ATOM 2274 CG PRO B 38 15.297 50.307 169.632 1.00 21.78 C +ATOM 2275 CD PRO B 38 14.336 49.636 170.519 1.00 20.36 C +ATOM 2276 N TYR B 39 13.545 47.596 166.258 1.00 19.27 N +ATOM 2277 CA TYR B 39 13.815 46.425 165.408 1.00 18.89 C +ATOM 2278 C TYR B 39 15.237 45.862 165.537 1.00 18.20 C +ATOM 2279 O TYR B 39 15.454 44.635 165.444 1.00 18.75 O +ATOM 2280 CB TYR B 39 13.544 46.751 163.947 1.00 17.73 C +ATOM 2281 CG TYR B 39 12.114 46.573 163.504 1.00 18.83 C +ATOM 2282 CD1 TYR B 39 11.185 47.610 163.637 1.00 16.21 C +ATOM 2283 CD2 TYR B 39 11.706 45.402 162.908 1.00 18.17 C +ATOM 2284 CE1 TYR B 39 9.864 47.472 163.181 1.00 21.48 C +ATOM 2285 CE2 TYR B 39 10.393 45.245 162.455 1.00 20.62 C +ATOM 2286 CZ TYR B 39 9.466 46.284 162.607 1.00 22.43 C +ATOM 2287 OH TYR B 39 8.162 46.149 162.140 1.00 21.77 O +ATOM 2288 N LEU B 40 16.194 46.753 165.770 1.00 18.00 N +ATOM 2289 CA LEU B 40 17.592 46.371 165.898 1.00 17.69 C +ATOM 2290 C LEU B 40 18.080 46.196 167.334 1.00 17.98 C +ATOM 2291 O LEU B 40 19.282 46.105 167.543 1.00 18.24 O +ATOM 2292 CB LEU B 40 18.492 47.364 165.151 1.00 19.02 C +ATOM 2293 CG LEU B 40 18.475 47.352 163.614 1.00 21.97 C +ATOM 2294 CD1 LEU B 40 19.562 48.304 163.141 1.00 18.85 C +ATOM 2295 CD2 LEU B 40 18.643 45.973 162.994 1.00 15.57 C +ATOM 2296 N THR B 41 17.161 46.050 168.297 1.00 18.68 N +ATOM 2297 CA THR B 41 17.525 45.816 169.726 1.00 18.49 C +ATOM 2298 C THR B 41 18.614 44.772 169.930 1.00 18.95 C +ATOM 2299 O THR B 41 19.569 45.008 170.670 1.00 18.30 O +ATOM 2300 CB THR B 41 16.274 45.426 170.554 1.00 19.94 C +ATOM 2301 OG1 THR B 41 15.403 46.541 170.565 1.00 17.55 O +ATOM 2302 CG2 THR B 41 16.587 45.016 172.024 1.00 14.06 C +ATOM 2303 N ASP B 42 18.484 43.637 169.238 1.00 19.08 N +ATOM 2304 CA ASP B 42 19.371 42.518 169.425 1.00 17.77 C +ATOM 2305 C ASP B 42 20.742 42.715 168.882 1.00 18.11 C +ATOM 2306 O ASP B 42 21.588 41.925 169.195 1.00 18.26 O +ATOM 2307 CB ASP B 42 18.776 41.253 168.806 1.00 18.83 C +ATOM 2308 CG ASP B 42 17.636 40.722 169.588 1.00 20.44 C +ATOM 2309 OD1 ASP B 42 17.324 41.326 170.656 1.00 20.74 O +ATOM 2310 OD2 ASP B 42 17.034 39.712 169.129 1.00 21.97 O +ATOM 2311 N CYS B 43 20.945 43.739 168.051 1.00 18.75 N +ATOM 2312 CA CYS B 43 22.267 44.180 167.576 1.00 19.81 C +ATOM 2313 C CYS B 43 22.840 45.290 168.481 1.00 19.50 C +ATOM 2314 O CYS B 43 24.016 45.257 168.882 1.00 18.79 O +ATOM 2315 CB CYS B 43 22.140 44.780 166.162 1.00 20.69 C +ATOM 2316 SG CYS B 43 21.747 43.630 164.845 1.00 25.23 S +ATOM 2317 N ILE B 44 21.994 46.282 168.783 1.00 18.91 N +ATOM 2318 CA ILE B 44 22.408 47.430 169.603 1.00 18.87 C +ATOM 2319 C ILE B 44 22.916 47.005 170.959 1.00 19.70 C +ATOM 2320 O ILE B 44 23.997 47.454 171.402 1.00 20.41 O +ATOM 2321 CB ILE B 44 21.263 48.444 169.765 1.00 19.61 C +ATOM 2322 CG1 ILE B 44 20.968 49.118 168.427 1.00 22.59 C +ATOM 2323 CG2 ILE B 44 21.582 49.503 170.804 1.00 17.03 C +ATOM 2324 CD1 ILE B 44 19.476 49.412 168.183 1.00 18.86 C +ATOM 2325 N LEU B 45 22.168 46.121 171.623 1.00 19.08 N +ATOM 2326 CA LEU B 45 22.498 45.754 172.998 1.00 19.03 C +ATOM 2327 C LEU B 45 23.813 44.984 173.113 1.00 18.63 C +ATOM 2328 O LEU B 45 24.675 45.403 173.872 1.00 19.14 O +ATOM 2329 CB LEU B 45 21.345 45.031 173.717 1.00 17.14 C +ATOM 2330 CG LEU B 45 20.040 45.837 173.944 1.00 20.31 C +ATOM 2331 CD1 LEU B 45 19.077 45.129 174.860 1.00 17.10 C +ATOM 2332 CD2 LEU B 45 20.346 47.221 174.470 1.00 15.23 C +ATOM 2333 N PRO B 46 23.987 43.848 172.389 1.00 18.87 N +ATOM 2334 CA PRO B 46 25.334 43.245 172.484 1.00 18.66 C +ATOM 2335 C PRO B 46 26.489 44.174 172.019 1.00 18.90 C +ATOM 2336 O PRO B 46 27.593 44.108 172.593 1.00 20.96 O +ATOM 2337 CB PRO B 46 25.231 41.996 171.593 1.00 18.80 C +ATOM 2338 CG PRO B 46 24.085 42.248 170.706 1.00 21.74 C +ATOM 2339 CD PRO B 46 23.105 43.052 171.524 1.00 18.51 C +ATOM 2340 N HIS B 47 26.233 45.041 171.025 1.00 19.60 N +ATOM 2341 CA HIS B 47 27.247 46.005 170.575 1.00 20.95 C +ATOM 2342 C HIS B 47 27.695 46.912 171.710 1.00 19.49 C +ATOM 2343 O HIS B 47 28.876 47.055 171.957 1.00 19.38 O +ATOM 2344 CB HIS B 47 26.762 46.851 169.401 1.00 19.67 C +ATOM 2345 CG HIS B 47 27.729 47.932 168.987 1.00 21.83 C +ATOM 2346 ND1 HIS B 47 27.592 49.251 169.378 1.00 22.52 N +ATOM 2347 CD2 HIS B 47 28.836 47.888 168.207 1.00 24.90 C +ATOM 2348 CE1 HIS B 47 28.577 49.967 168.860 1.00 26.18 C +ATOM 2349 NE2 HIS B 47 29.342 49.166 168.137 1.00 25.73 N +ATOM 2350 N ASP B 48 26.746 47.486 172.428 1.00 20.83 N +ATOM 2351 CA ASP B 48 27.079 48.476 173.435 1.00 21.70 C +ATOM 2352 C ASP B 48 27.765 47.859 174.655 1.00 20.44 C +ATOM 2353 O ASP B 48 28.703 48.446 175.193 1.00 20.92 O +ATOM 2354 CB ASP B 48 25.842 49.277 173.820 1.00 23.24 C +ATOM 2355 CG ASP B 48 25.395 50.256 172.714 1.00 26.84 C +ATOM 2356 OD1 ASP B 48 25.982 50.279 171.611 1.00 29.54 O +ATOM 2357 OD2 ASP B 48 24.432 51.008 172.964 1.00 29.39 O +ATOM 2358 N ILE B 49 27.287 46.675 175.048 1.00 19.96 N +ATOM 2359 CA ILE B 49 27.882 45.869 176.140 1.00 18.65 C +ATOM 2360 C ILE B 49 29.330 45.491 175.825 1.00 19.59 C +ATOM 2361 O ILE B 49 30.235 45.661 176.639 1.00 20.59 O +ATOM 2362 CB ILE B 49 27.024 44.608 176.405 1.00 19.69 C +ATOM 2363 CG1 ILE B 49 25.670 45.045 176.985 1.00 20.20 C +ATOM 2364 CG2 ILE B 49 27.751 43.618 177.319 1.00 20.18 C +ATOM 2365 CD1 ILE B 49 24.694 43.988 177.089 1.00 20.40 C +ATOM 2366 N ALA B 50 29.540 45.025 174.607 1.00 19.82 N +ATOM 2367 CA ALA B 50 30.832 44.586 174.159 1.00 19.51 C +ATOM 2368 C ALA B 50 31.814 45.735 174.065 1.00 19.40 C +ATOM 2369 O ALA B 50 33.010 45.567 174.342 1.00 20.46 O +ATOM 2370 CB ALA B 50 30.679 43.897 172.785 1.00 18.67 C +ATOM 2371 N VAL B 51 31.341 46.892 173.595 1.00 19.87 N +ATOM 2372 CA VAL B 51 32.193 48.087 173.539 1.00 20.86 C +ATOM 2373 C VAL B 51 32.597 48.511 174.970 1.00 20.67 C +ATOM 2374 O VAL B 51 33.744 48.798 175.238 1.00 21.20 O +ATOM 2375 CB VAL B 51 31.494 49.258 172.747 1.00 20.11 C +ATOM 2376 CG1 VAL B 51 32.119 50.579 173.087 1.00 21.51 C +ATOM 2377 CG2 VAL B 51 31.569 49.016 171.258 1.00 17.72 C +ATOM 2378 N GLU B 52 31.647 48.521 175.883 1.00 21.45 N +ATOM 2379 CA GLU B 52 31.925 48.912 177.251 1.00 22.61 C +ATOM 2380 C GLU B 52 32.878 47.909 177.924 1.00 21.53 C +ATOM 2381 O GLU B 52 33.867 48.318 178.549 1.00 22.98 O +ATOM 2382 CB GLU B 52 30.619 49.136 178.033 1.00 19.67 C +ATOM 2383 CG GLU B 52 30.823 49.786 179.398 1.00 26.49 C +ATOM 2384 CD GLU B 52 29.557 49.925 180.230 1.00 26.75 C +ATOM 2385 OE1 GLU B 52 28.445 50.025 179.653 1.00 27.98 O +ATOM 2386 OE2 GLU B 52 29.697 49.965 181.480 1.00 37.50 O +ATOM 2387 N ALA B 53 32.649 46.614 177.716 1.00 20.75 N +ATOM 2388 CA ALA B 53 33.562 45.573 178.188 1.00 19.31 C +ATOM 2389 C ALA B 53 34.955 45.689 177.588 1.00 20.33 C +ATOM 2390 O ALA B 53 35.938 45.474 178.302 1.00 21.07 O +ATOM 2391 CB ALA B 53 32.971 44.145 177.970 1.00 19.02 C +ATOM 2392 N ALA B 54 35.050 46.018 176.300 1.00 20.33 N +ATOM 2393 CA ALA B 54 36.357 46.183 175.618 1.00 21.05 C +ATOM 2394 C ALA B 54 37.099 47.389 176.150 1.00 21.03 C +ATOM 2395 O ALA B 54 38.322 47.362 176.304 1.00 22.29 O +ATOM 2396 CB ALA B 54 36.191 46.313 174.114 1.00 18.58 C +ATOM 2397 N GLU B 55 36.366 48.458 176.418 1.00 22.66 N +ATOM 2398 CA GLU B 55 36.958 49.628 177.106 1.00 24.49 C +ATOM 2399 C GLU B 55 37.438 49.336 178.520 1.00 23.93 C +ATOM 2400 O GLU B 55 38.500 49.839 178.925 1.00 24.05 O +ATOM 2401 CB GLU B 55 35.974 50.773 177.172 1.00 25.97 C +ATOM 2402 CG GLU B 55 35.751 51.463 175.840 1.00 27.33 C +ATOM 2403 CD GLU B 55 34.551 52.417 175.866 1.00 30.47 C +ATOM 2404 OE1 GLU B 55 33.634 52.202 176.715 1.00 36.98 O +ATOM 2405 OE2 GLU B 55 34.501 53.350 175.011 1.00 36.29 O +ATOM 2406 N LEU B 56 36.677 48.548 179.274 1.00 23.75 N +ATOM 2407 CA LEU B 56 37.153 48.097 180.598 1.00 23.10 C +ATOM 2408 C LEU B 56 38.427 47.244 180.507 1.00 25.15 C +ATOM 2409 O LEU B 56 39.415 47.575 181.192 1.00 26.23 O +ATOM 2410 CB LEU B 56 36.059 47.371 181.377 1.00 23.68 C +ATOM 2411 CG LEU B 56 36.364 46.981 182.819 1.00 24.29 C +ATOM 2412 CD1 LEU B 56 36.892 48.208 183.605 1.00 24.63 C +ATOM 2413 CD2 LEU B 56 35.132 46.396 183.480 1.00 20.40 C +ATOM 2414 N ALA B 57 38.436 46.170 179.696 1.00 24.49 N +ATOM 2415 CA ALA B 57 39.632 45.303 179.584 1.00 24.25 C +ATOM 2416 C ALA B 57 40.847 46.118 179.188 1.00 24.97 C +ATOM 2417 O ALA B 57 41.952 45.868 179.653 1.00 26.35 O +ATOM 2418 CB ALA B 57 39.430 44.176 178.556 1.00 23.68 C +ATOM 2419 N LEU B 58 40.668 47.083 178.297 1.00 25.20 N +ATOM 2420 CA LEU B 58 41.813 47.863 177.827 1.00 25.80 C +ATOM 2421 C LEU B 58 42.359 48.786 178.924 1.00 27.09 C +ATOM 2422 O LEU B 58 43.578 48.835 179.139 1.00 27.85 O +ATOM 2423 CB LEU B 58 41.418 48.687 176.611 1.00 26.82 C +ATOM 2424 CG LEU B 58 42.468 49.646 176.071 1.00 27.30 C +ATOM 2425 CD1 LEU B 58 43.655 48.840 175.539 1.00 22.48 C +ATOM 2426 CD2 LEU B 58 41.826 50.515 175.007 1.00 26.30 C +ATOM 2427 N SER B 59 41.487 49.512 179.616 1.00 27.96 N +ATOM 2428 CA SER B 59 41.926 50.429 180.691 1.00 31.34 C +ATOM 2429 C SER B 59 42.538 49.703 181.902 1.00 32.12 C +ATOM 2430 O SER B 59 43.555 50.150 182.458 1.00 34.14 O +ATOM 2431 CB SER B 59 40.779 51.351 181.149 1.00 31.09 C +ATOM 2432 OG SER B 59 39.809 50.618 181.868 1.00 38.54 O +ATOM 2433 N ARG B 60 41.959 48.578 182.294 1.00 31.93 N +ATOM 2434 CA ARG B 60 42.465 47.867 183.468 1.00 32.25 C +ATOM 2435 C ARG B 60 43.620 46.881 183.219 1.00 31.86 C +ATOM 2436 O ARG B 60 44.422 46.651 184.128 1.00 33.32 O +ATOM 2437 CB ARG B 60 41.321 47.240 184.234 1.00 33.54 C +ATOM 2438 CG ARG B 60 41.009 45.823 183.933 1.00 35.68 C +ATOM 2439 CD ARG B 60 39.760 45.511 184.640 1.00 33.83 C +ATOM 2440 NE ARG B 60 39.343 44.154 184.418 1.00 35.91 N +ATOM 2441 CZ ARG B 60 38.239 43.646 184.948 1.00 36.32 C +ATOM 2442 NH1 ARG B 60 37.462 44.373 185.748 1.00 34.71 N +ATOM 2443 NH2 ARG B 60 37.931 42.384 184.698 1.00 41.23 N +ATOM 2444 N SER B 61 43.737 46.326 182.012 1.00 31.08 N +ATOM 2445 CA SER B 61 44.712 45.274 181.704 1.00 31.24 C +ATOM 2446 C SER B 61 45.608 45.588 180.528 1.00 29.46 C +ATOM 2447 O SER B 61 46.629 44.957 180.322 1.00 28.95 O +ATOM 2448 CB SER B 61 43.956 43.990 181.338 1.00 34.87 C +ATOM 2449 OG SER B 61 43.215 43.521 182.446 1.00 43.20 O +ATOM 2450 N GLY B 62 45.184 46.526 179.707 1.00 28.62 N +ATOM 2451 CA GLY B 62 45.855 46.773 178.452 1.00 28.75 C +ATOM 2452 C GLY B 62 45.579 45.718 177.397 1.00 28.17 C +ATOM 2453 O GLY B 62 46.273 45.681 176.405 1.00 30.01 O +ATOM 2454 N VAL B 63 44.570 44.879 177.605 1.00 27.99 N +ATOM 2455 CA VAL B 63 44.114 43.891 176.583 1.00 26.10 C +ATOM 2456 C VAL B 63 43.201 44.634 175.561 1.00 25.02 C +ATOM 2457 O VAL B 63 42.223 45.262 175.951 1.00 24.44 O +ATOM 2458 CB VAL B 63 43.371 42.720 177.286 1.00 29.30 C +ATOM 2459 CG1 VAL B 63 42.557 41.848 176.279 1.00 26.56 C +ATOM 2460 CG2 VAL B 63 44.361 41.843 178.086 1.00 25.95 C +ATOM 2461 N ARG B 64 43.533 44.592 174.267 1.00 24.12 N +ATOM 2462 CA ARG B 64 42.823 45.400 173.264 1.00 23.83 C +ATOM 2463 C ARG B 64 41.948 44.525 172.361 1.00 23.02 C +ATOM 2464 O ARG B 64 42.445 43.636 171.697 1.00 22.53 O +ATOM 2465 CB ARG B 64 43.804 46.244 172.411 1.00 25.05 C +ATOM 2466 CG ARG B 64 43.091 47.362 171.629 1.00 26.32 C +ATOM 2467 CD ARG B 64 44.008 48.062 170.653 1.00 28.34 C +ATOM 2468 NE ARG B 64 44.830 49.034 171.360 1.00 27.28 N +ATOM 2469 CZ ARG B 64 46.113 48.874 171.685 1.00 30.79 C +ATOM 2470 NH1 ARG B 64 46.802 47.784 171.359 1.00 33.08 N +ATOM 2471 NH2 ARG B 64 46.727 49.839 172.338 1.00 32.86 N +ATOM 2472 N CYS B 65 40.640 44.782 172.367 1.00 22.84 N +ATOM 2473 CA CYS B 65 39.687 43.995 171.616 1.00 23.43 C +ATOM 2474 C CYS B 65 38.951 44.869 170.617 1.00 22.84 C +ATOM 2475 O CYS B 65 38.635 45.996 170.911 1.00 23.94 O +ATOM 2476 CB CYS B 65 38.666 43.371 172.557 1.00 22.69 C +ATOM 2477 SG CYS B 65 39.397 42.416 173.823 1.00 28.29 S +HETATM 2478 N MSE B 66 38.689 44.334 169.430 1.00 21.00 N +HETATM 2479 CA MSE B 66 37.975 45.067 168.419 1.00 19.05 C +HETATM 2480 C MSE B 66 36.603 44.476 168.365 1.00 18.85 C +HETATM 2481 O MSE B 66 36.482 43.245 168.263 1.00 17.99 O +HETATM 2482 CB MSE B 66 38.641 44.932 167.067 1.00 18.35 C +HETATM 2483 CG MSE B 66 37.992 45.725 165.946 1.00 21.66 C +HETATM 2484 SE MSE B 66 37.568 47.575 166.334 0.75 22.27 SE +HETATM 2485 CE MSE B 66 39.224 48.307 165.691 1.00 19.96 C +ATOM 2486 N VAL B 67 35.607 45.369 168.416 1.00 18.57 N +ATOM 2487 CA VAL B 67 34.187 45.030 168.304 1.00 17.72 C +ATOM 2488 C VAL B 67 33.733 45.320 166.876 1.00 18.87 C +ATOM 2489 O VAL B 67 33.614 46.464 166.448 1.00 18.62 O +ATOM 2490 CB VAL B 67 33.310 45.808 169.354 1.00 17.20 C +ATOM 2491 CG1 VAL B 67 31.789 45.452 169.242 1.00 13.97 C +ATOM 2492 CG2 VAL B 67 33.793 45.508 170.747 1.00 14.04 C +HETATM 2493 N MSE B 68 33.509 44.245 166.140 1.00 18.11 N +HETATM 2494 CA MSE B 68 33.090 44.314 164.746 1.00 18.79 C +HETATM 2495 C MSE B 68 31.658 44.873 164.671 1.00 19.00 C +HETATM 2496 O MSE B 68 30.985 44.936 165.661 1.00 19.63 O +HETATM 2497 CB MSE B 68 33.104 42.900 164.128 1.00 20.04 C +HETATM 2498 CG MSE B 68 34.445 42.183 164.180 1.00 20.13 C +HETATM 2499 SE MSE B 68 35.777 43.165 163.110 0.75 27.26 SE +HETATM 2500 CE MSE B 68 35.065 42.744 161.300 1.00 20.48 C +ATOM 2501 N PRO B 69 31.197 45.278 163.490 1.00 20.06 N +ATOM 2502 CA PRO B 69 29.800 45.701 163.333 1.00 21.44 C +ATOM 2503 C PRO B 69 28.827 44.551 163.566 1.00 22.29 C +ATOM 2504 O PRO B 69 29.132 43.410 163.192 1.00 20.52 O +ATOM 2505 CB PRO B 69 29.729 46.110 161.871 1.00 21.69 C +ATOM 2506 CG PRO B 69 31.142 46.350 161.478 1.00 22.66 C +ATOM 2507 CD PRO B 69 31.921 45.354 162.223 1.00 20.69 C +ATOM 2508 N PRO B 70 27.656 44.836 164.191 1.00 22.69 N +ATOM 2509 CA PRO B 70 26.679 43.780 164.484 1.00 21.95 C +ATOM 2510 C PRO B 70 26.093 43.108 163.228 1.00 21.71 C +ATOM 2511 O PRO B 70 25.845 43.766 162.223 1.00 22.68 O +ATOM 2512 CB PRO B 70 25.571 44.532 165.238 1.00 23.64 C +ATOM 2513 CG PRO B 70 26.193 45.754 165.730 1.00 20.65 C +ATOM 2514 CD PRO B 70 27.206 46.135 164.711 1.00 23.54 C +ATOM 2515 N VAL B 71 25.922 41.790 163.280 1.00 20.97 N +ATOM 2516 CA VAL B 71 25.303 41.056 162.172 1.00 18.32 C +ATOM 2517 C VAL B 71 23.797 41.093 162.440 1.00 17.48 C +ATOM 2518 O VAL B 71 23.371 40.611 163.462 1.00 17.65 O +ATOM 2519 CB VAL B 71 25.792 39.597 162.108 1.00 18.68 C +ATOM 2520 CG1 VAL B 71 25.379 38.968 160.807 1.00 13.91 C +ATOM 2521 CG2 VAL B 71 27.300 39.537 162.282 1.00 17.29 C +ATOM 2522 N PRO B 72 22.996 41.762 161.565 1.00 17.45 N +ATOM 2523 CA PRO B 72 21.552 41.919 161.787 1.00 18.03 C +ATOM 2524 C PRO B 72 20.657 40.757 161.317 1.00 18.38 C +ATOM 2525 O PRO B 72 19.445 40.918 161.162 1.00 21.71 O +ATOM 2526 CB PRO B 72 21.251 43.179 160.983 1.00 20.44 C +ATOM 2527 CG PRO B 72 22.131 43.064 159.822 1.00 20.07 C +ATOM 2528 CD PRO B 72 23.418 42.466 160.341 1.00 17.77 C +ATOM 2529 N PHE B 73 21.236 39.575 161.186 1.00 18.06 N +ATOM 2530 CA PHE B 73 20.592 38.451 160.539 1.00 17.22 C +ATOM 2531 C PHE B 73 20.360 37.315 161.509 1.00 17.64 C +ATOM 2532 O PHE B 73 21.247 36.502 161.724 1.00 18.32 O +ATOM 2533 CB PHE B 73 21.475 38.003 159.360 1.00 18.85 C +ATOM 2534 CG PHE B 73 21.535 39.018 158.257 1.00 18.78 C +ATOM 2535 CD1 PHE B 73 20.379 39.359 157.562 1.00 20.58 C +ATOM 2536 CD2 PHE B 73 22.719 39.665 157.941 1.00 18.63 C +ATOM 2537 CE1 PHE B 73 20.412 40.298 156.571 1.00 23.58 C +ATOM 2538 CE2 PHE B 73 22.760 40.604 156.946 1.00 20.02 C +ATOM 2539 CZ PHE B 73 21.608 40.953 156.275 1.00 15.79 C +ATOM 2540 N GLY B 74 19.146 37.247 162.064 1.00 17.87 N +ATOM 2541 CA GLY B 74 18.772 36.236 163.042 1.00 17.39 C +ATOM 2542 C GLY B 74 17.866 35.121 162.544 1.00 16.86 C +ATOM 2543 O GLY B 74 17.319 35.204 161.473 1.00 16.70 O +ATOM 2544 N ALA B 75 17.774 34.054 163.328 1.00 16.76 N +ATOM 2545 CA ALA B 75 16.924 32.928 163.053 1.00 16.91 C +ATOM 2546 C ALA B 75 15.651 33.099 163.854 1.00 18.57 C +ATOM 2547 O ALA B 75 15.707 33.271 165.088 1.00 20.27 O +ATOM 2548 CB ALA B 75 17.637 31.631 163.427 1.00 14.51 C +ATOM 2549 N HIS B 76 14.514 33.049 163.165 1.00 19.19 N +ATOM 2550 CA HIS B 76 13.217 33.318 163.764 1.00 19.36 C +ATOM 2551 C HIS B 76 12.213 32.164 163.718 1.00 20.84 C +ATOM 2552 O HIS B 76 12.481 31.120 163.168 1.00 19.97 O +ATOM 2553 CB HIS B 76 12.642 34.586 163.133 1.00 19.81 C +ATOM 2554 CG HIS B 76 13.484 35.782 163.418 1.00 22.27 C +ATOM 2555 ND1 HIS B 76 13.623 36.290 164.691 1.00 21.41 N +ATOM 2556 CD2 HIS B 76 14.302 36.515 162.625 1.00 21.06 C +ATOM 2557 CE1 HIS B 76 14.459 37.316 164.664 1.00 23.81 C +ATOM 2558 NE2 HIS B 76 14.905 37.457 163.429 1.00 23.12 N +ATOM 2559 N ASN B 77 11.051 32.390 164.331 1.00 20.71 N +ATOM 2560 CA ASN B 77 10.093 31.346 164.663 1.00 21.26 C +ATOM 2561 C ASN B 77 8.913 31.483 163.742 1.00 21.91 C +ATOM 2562 O ASN B 77 8.688 32.569 163.182 1.00 22.38 O +ATOM 2563 CB ASN B 77 9.551 31.533 166.105 1.00 20.64 C +ATOM 2564 CG ASN B 77 10.467 30.995 167.179 1.00 24.38 C +ATOM 2565 OD1 ASN B 77 11.683 31.095 167.103 1.00 27.42 O +ATOM 2566 ND2 ASN B 77 9.867 30.466 168.226 1.00 21.53 N +ATOM 2567 N PRO B 78 8.099 30.420 163.631 1.00 23.06 N +ATOM 2568 CA PRO B 78 6.872 30.538 162.862 1.00 22.88 C +ATOM 2569 C PRO B 78 6.057 31.736 163.352 1.00 22.98 C +ATOM 2570 O PRO B 78 6.052 32.012 164.551 1.00 22.86 O +ATOM 2571 CB PRO B 78 6.147 29.223 163.159 1.00 24.09 C +ATOM 2572 CG PRO B 78 7.189 28.289 163.571 1.00 21.80 C +ATOM 2573 CD PRO B 78 8.258 29.077 164.222 1.00 22.56 C +ATOM 2574 N GLY B 79 5.394 32.442 162.440 1.00 22.16 N +ATOM 2575 CA GLY B 79 4.664 33.665 162.773 1.00 23.63 C +ATOM 2576 C GLY B 79 5.436 34.968 162.794 1.00 23.70 C +ATOM 2577 O GLY B 79 4.846 36.027 162.658 1.00 25.97 O +ATOM 2578 N GLN B 80 6.752 34.930 162.982 1.00 23.45 N +ATOM 2579 CA GLN B 80 7.527 36.173 163.032 1.00 23.51 C +ATOM 2580 C GLN B 80 7.828 36.752 161.664 1.00 24.49 C +ATOM 2581 O GLN B 80 7.835 37.980 161.486 1.00 24.89 O +ATOM 2582 CB GLN B 80 8.857 35.978 163.762 1.00 24.30 C +ATOM 2583 CG GLN B 80 8.736 35.751 165.241 1.00 23.64 C +ATOM 2584 CD GLN B 80 10.077 35.815 165.941 1.00 25.70 C +ATOM 2585 OE1 GLN B 80 10.855 34.854 165.893 1.00 26.52 O +ATOM 2586 NE2 GLN B 80 10.364 36.948 166.594 1.00 19.62 N +ATOM 2587 N ARG B 81 8.100 35.865 160.713 1.00 24.34 N +ATOM 2588 CA ARG B 81 8.445 36.207 159.339 1.00 26.62 C +ATOM 2589 C ARG B 81 7.348 37.024 158.642 1.00 26.34 C +ATOM 2590 O ARG B 81 7.614 37.837 157.761 1.00 27.35 O +ATOM 2591 CB ARG B 81 8.716 34.914 158.547 1.00 26.62 C +ATOM 2592 CG ARG B 81 9.374 35.134 157.203 1.00 31.39 C +ATOM 2593 CD ARG B 81 9.751 33.827 156.519 1.00 29.03 C +ATOM 2594 NE ARG B 81 8.574 32.971 156.316 1.00 35.90 N +ATOM 2595 CZ ARG B 81 8.524 31.977 155.424 1.00 38.54 C +ATOM 2596 NH1 ARG B 81 9.582 31.700 154.672 1.00 32.63 N +ATOM 2597 NH2 ARG B 81 7.415 31.251 155.283 1.00 39.92 N +ATOM 2598 N GLU B 82 6.111 36.809 159.043 1.00 27.12 N +ATOM 2599 CA GLU B 82 5.002 37.550 158.475 1.00 29.67 C +ATOM 2600 C GLU B 82 4.829 38.944 159.075 1.00 26.86 C +ATOM 2601 O GLU B 82 4.044 39.720 158.554 1.00 26.39 O +ATOM 2602 CB GLU B 82 3.707 36.743 158.636 1.00 31.35 C +ATOM 2603 CG GLU B 82 3.094 36.806 160.030 1.00 38.54 C +ATOM 2604 CD GLU B 82 2.065 35.679 160.295 1.00 41.55 C +ATOM 2605 OE1 GLU B 82 2.400 34.486 160.023 1.00 53.94 O +ATOM 2606 OE2 GLU B 82 0.936 36.011 160.775 1.00 52.19 O +ATOM 2607 N LEU B 83 5.510 39.270 160.173 1.00 24.79 N +ATOM 2608 CA LEU B 83 5.429 40.628 160.733 1.00 24.17 C +ATOM 2609 C LEU B 83 6.310 41.579 159.924 1.00 23.66 C +ATOM 2610 O LEU B 83 7.439 41.224 159.577 1.00 21.18 O +ATOM 2611 CB LEU B 83 5.863 40.667 162.209 1.00 23.98 C +ATOM 2612 CG LEU B 83 5.176 39.739 163.229 1.00 26.30 C +ATOM 2613 CD1 LEU B 83 6.041 39.519 164.498 1.00 21.19 C +ATOM 2614 CD2 LEU B 83 3.817 40.299 163.585 1.00 24.37 C +ATOM 2615 N PRO B 84 5.822 42.818 159.665 1.00 23.33 N +ATOM 2616 CA PRO B 84 6.587 43.665 158.740 1.00 22.78 C +ATOM 2617 C PRO B 84 8.028 43.882 159.168 1.00 21.54 C +ATOM 2618 O PRO B 84 8.312 44.188 160.320 1.00 21.17 O +ATOM 2619 CB PRO B 84 5.810 44.999 158.731 1.00 23.30 C +ATOM 2620 CG PRO B 84 4.898 44.965 159.921 1.00 25.51 C +ATOM 2621 CD PRO B 84 4.606 43.499 160.153 1.00 24.72 C +ATOM 2622 N PHE B 85 8.908 43.724 158.202 1.00 21.32 N +ATOM 2623 CA PHE B 85 10.323 43.966 158.320 1.00 20.82 C +ATOM 2624 C PHE B 85 11.114 43.012 159.209 1.00 20.54 C +ATOM 2625 O PHE B 85 12.281 43.234 159.441 1.00 21.91 O +ATOM 2626 CB PHE B 85 10.575 45.420 158.693 1.00 22.33 C +ATOM 2627 CG PHE B 85 9.696 46.383 157.951 1.00 20.11 C +ATOM 2628 CD1 PHE B 85 9.733 46.447 156.574 1.00 21.87 C +ATOM 2629 CD2 PHE B 85 8.866 47.237 158.635 1.00 20.24 C +ATOM 2630 CE1 PHE B 85 8.949 47.335 155.905 1.00 23.70 C +ATOM 2631 CE2 PHE B 85 8.096 48.131 157.970 1.00 22.41 C +ATOM 2632 CZ PHE B 85 8.128 48.180 156.604 1.00 22.17 C +ATOM 2633 N CYS B 86 10.491 41.943 159.666 1.00 21.13 N +ATOM 2634 CA CYS B 86 11.229 40.843 160.308 1.00 21.45 C +ATOM 2635 C CYS B 86 11.942 39.995 159.248 1.00 21.23 C +ATOM 2636 O CYS B 86 11.342 39.607 158.237 1.00 22.84 O +ATOM 2637 CB CYS B 86 10.267 39.976 161.112 1.00 21.25 C +ATOM 2638 SG CYS B 86 11.109 38.689 162.059 1.00 22.69 S +ATOM 2639 N ILE B 87 13.215 39.693 159.466 1.00 19.19 N +ATOM 2640 CA ILE B 87 13.984 38.971 158.466 1.00 19.46 C +ATOM 2641 C ILE B 87 14.495 37.673 159.036 1.00 18.55 C +ATOM 2642 O ILE B 87 15.362 37.684 159.885 1.00 18.99 O +ATOM 2643 CB ILE B 87 15.157 39.804 157.966 1.00 19.05 C +ATOM 2644 CG1 ILE B 87 14.670 41.178 157.487 1.00 20.12 C +ATOM 2645 CG2 ILE B 87 15.935 39.018 156.877 1.00 18.02 C +ATOM 2646 CD1 ILE B 87 13.728 41.156 156.251 1.00 18.44 C +ATOM 2647 N HIS B 88 13.936 36.561 158.568 1.00 18.50 N +ATOM 2648 CA HIS B 88 14.371 35.229 158.979 1.00 18.37 C +ATOM 2649 C HIS B 88 15.573 34.796 158.137 1.00 17.08 C +ATOM 2650 O HIS B 88 15.542 34.890 156.923 1.00 17.53 O +ATOM 2651 CB HIS B 88 13.254 34.191 158.869 1.00 16.06 C +ATOM 2652 CG HIS B 88 13.747 32.792 159.019 1.00 17.78 C +ATOM 2653 ND1 HIS B 88 14.208 32.302 160.220 1.00 17.02 N +ATOM 2654 CD2 HIS B 88 13.933 31.801 158.111 1.00 22.48 C +ATOM 2655 CE1 HIS B 88 14.649 31.068 160.055 1.00 21.88 C +ATOM 2656 NE2 HIS B 88 14.500 30.740 158.782 1.00 19.94 N +ATOM 2657 N THR B 89 16.640 34.394 158.819 1.00 17.56 N +ATOM 2658 CA THR B 89 17.871 33.949 158.211 1.00 17.02 C +ATOM 2659 C THR B 89 17.983 32.452 158.426 1.00 16.85 C +ATOM 2660 O THR B 89 17.919 31.968 159.566 1.00 17.39 O +ATOM 2661 CB THR B 89 19.088 34.636 158.850 1.00 17.19 C +ATOM 2662 OG1 THR B 89 18.783 36.011 159.075 1.00 19.99 O +ATOM 2663 CG2 THR B 89 20.324 34.522 157.969 1.00 12.12 C +ATOM 2664 N ARG B 90 18.144 31.704 157.334 1.00 14.98 N +ATOM 2665 CA ARG B 90 18.418 30.287 157.427 1.00 15.40 C +ATOM 2666 C ARG B 90 19.769 30.067 158.092 1.00 16.90 C +ATOM 2667 O ARG B 90 20.675 30.892 157.943 1.00 15.56 O +ATOM 2668 CB ARG B 90 18.438 29.679 156.032 1.00 16.66 C +ATOM 2669 CG ARG B 90 17.079 29.547 155.420 1.00 17.06 C +ATOM 2670 CD ARG B 90 17.209 29.116 153.994 1.00 21.63 C +ATOM 2671 NE ARG B 90 17.841 30.183 153.227 1.00 25.99 N +ATOM 2672 CZ ARG B 90 18.175 30.120 151.951 1.00 25.35 C +ATOM 2673 NH1 ARG B 90 17.991 29.012 151.247 1.00 29.90 N +ATOM 2674 NH2 ARG B 90 18.710 31.181 151.382 1.00 27.05 N +ATOM 2675 N TYR B 91 19.882 28.945 158.817 1.00 17.71 N +ATOM 2676 CA TYR B 91 21.108 28.541 159.473 1.00 17.19 C +ATOM 2677 C TYR B 91 22.266 28.535 158.466 1.00 15.53 C +ATOM 2678 O TYR B 91 23.382 28.991 158.789 1.00 17.28 O +ATOM 2679 CB TYR B 91 20.950 27.118 160.104 1.00 19.35 C +ATOM 2680 CG TYR B 91 22.068 26.750 161.062 1.00 18.28 C +ATOM 2681 CD1 TYR B 91 23.322 26.322 160.614 1.00 21.27 C +ATOM 2682 CD2 TYR B 91 21.857 26.817 162.424 1.00 21.72 C +ATOM 2683 CE1 TYR B 91 24.351 26.001 161.550 1.00 18.89 C +ATOM 2684 CE2 TYR B 91 22.833 26.501 163.328 1.00 22.27 C +ATOM 2685 CZ TYR B 91 24.073 26.094 162.906 1.00 23.19 C +ATOM 2686 OH TYR B 91 24.993 25.808 163.905 1.00 28.56 O +ATOM 2687 N ALA B 92 22.014 28.014 157.264 1.00 16.12 N +ATOM 2688 CA ALA B 92 23.055 27.920 156.216 1.00 16.08 C +ATOM 2689 C ALA B 92 23.560 29.314 155.764 1.00 15.87 C +ATOM 2690 O ALA B 92 24.750 29.484 155.399 1.00 15.71 O +ATOM 2691 CB ALA B 92 22.530 27.142 155.052 1.00 15.55 C +ATOM 2692 N THR B 93 22.664 30.307 155.834 1.00 15.20 N +ATOM 2693 CA THR B 93 23.023 31.675 155.521 1.00 14.82 C +ATOM 2694 C THR B 93 23.872 32.236 156.632 1.00 15.58 C +ATOM 2695 O THR B 93 24.889 32.874 156.393 1.00 15.58 O +ATOM 2696 CB THR B 93 21.797 32.559 155.305 1.00 15.17 C +ATOM 2697 OG1 THR B 93 21.015 31.997 154.254 1.00 12.07 O +ATOM 2698 CG2 THR B 93 22.203 34.017 154.910 1.00 11.26 C +ATOM 2699 N GLN B 94 23.472 31.989 157.865 1.00 16.69 N +ATOM 2700 CA GLN B 94 24.296 32.421 158.984 1.00 15.91 C +ATOM 2701 C GLN B 94 25.679 31.788 158.889 1.00 15.51 C +ATOM 2702 O GLN B 94 26.692 32.471 159.073 1.00 14.91 O +ATOM 2703 CB GLN B 94 23.632 32.088 160.296 1.00 16.17 C +ATOM 2704 CG GLN B 94 22.281 32.793 160.472 1.00 18.06 C +ATOM 2705 CD GLN B 94 21.712 32.546 161.827 1.00 17.33 C +ATOM 2706 OE1 GLN B 94 21.690 31.410 162.284 1.00 19.94 O +ATOM 2707 NE2 GLN B 94 21.278 33.603 162.498 1.00 16.62 N +ATOM 2708 N GLN B 95 25.725 30.482 158.601 1.00 16.68 N +ATOM 2709 CA GLN B 95 26.995 29.772 158.576 1.00 16.72 C +ATOM 2710 C GLN B 95 27.901 30.284 157.454 1.00 15.37 C +ATOM 2711 O GLN B 95 29.111 30.394 157.646 1.00 17.22 O +ATOM 2712 CB GLN B 95 26.786 28.251 158.498 1.00 17.21 C +ATOM 2713 CG GLN B 95 28.046 27.467 158.415 1.00 17.17 C +ATOM 2714 CD GLN B 95 27.817 25.933 158.296 1.00 27.21 C +ATOM 2715 OE1 GLN B 95 27.484 25.261 159.260 1.00 34.63 O +ATOM 2716 NE2 GLN B 95 28.046 25.389 157.096 1.00 41.00 N +ATOM 2717 N ALA B 96 27.331 30.571 156.283 1.00 15.76 N +ATOM 2718 CA ALA B 96 28.054 31.211 155.186 1.00 15.30 C +ATOM 2719 C ALA B 96 28.664 32.556 155.625 1.00 16.38 C +ATOM 2720 O ALA B 96 29.855 32.846 155.339 1.00 14.75 O +ATOM 2721 CB ALA B 96 27.131 31.378 153.965 1.00 14.82 C +ATOM 2722 N ILE B 97 27.900 33.330 156.398 1.00 15.98 N +ATOM 2723 CA ILE B 97 28.392 34.621 156.959 1.00 14.86 C +ATOM 2724 C ILE B 97 29.604 34.462 157.897 1.00 15.89 C +ATOM 2725 O ILE B 97 30.619 35.125 157.699 1.00 15.66 O +ATOM 2726 CB ILE B 97 27.240 35.466 157.635 1.00 17.76 C +ATOM 2727 CG1 ILE B 97 26.264 35.984 156.570 1.00 14.34 C +ATOM 2728 CG2 ILE B 97 27.799 36.670 158.445 1.00 15.33 C +ATOM 2729 CD1 ILE B 97 24.933 36.442 157.075 1.00 11.41 C +ATOM 2730 N LEU B 98 29.504 33.559 158.884 1.00 16.58 N +ATOM 2731 CA LEU B 98 30.597 33.309 159.835 1.00 16.94 C +ATOM 2732 C LEU B 98 31.827 32.760 159.168 1.00 17.35 C +ATOM 2733 O LEU B 98 32.922 33.153 159.519 1.00 18.37 O +ATOM 2734 CB LEU B 98 30.163 32.343 160.954 1.00 17.57 C +ATOM 2735 CG LEU B 98 31.063 32.219 162.186 1.00 18.28 C +ATOM 2736 CD1 LEU B 98 31.255 33.588 162.865 1.00 15.70 C +ATOM 2737 CD2 LEU B 98 30.482 31.165 163.161 1.00 15.83 C +ATOM 2738 N GLU B 99 31.647 31.818 158.239 1.00 18.19 N +ATOM 2739 CA GLU B 99 32.759 31.307 157.408 1.00 18.12 C +ATOM 2740 C GLU B 99 33.500 32.410 156.684 1.00 17.84 C +ATOM 2741 O GLU B 99 34.727 32.386 156.613 1.00 17.48 O +ATOM 2742 CB GLU B 99 32.256 30.306 156.338 1.00 19.10 C +ATOM 2743 CG GLU B 99 31.764 28.974 156.878 1.00 18.85 C +ATOM 2744 CD GLU B 99 31.079 28.022 155.846 1.00 23.67 C +ATOM 2745 OE1 GLU B 99 30.744 28.408 154.692 1.00 24.38 O +ATOM 2746 OE2 GLU B 99 30.848 26.841 156.241 1.00 28.22 O +ATOM 2747 N ASP B 100 32.760 33.357 156.103 1.00 16.92 N +ATOM 2748 CA ASP B 100 33.401 34.516 155.441 1.00 17.06 C +ATOM 2749 C ASP B 100 34.118 35.430 156.427 1.00 17.52 C +ATOM 2750 O ASP B 100 35.210 35.910 156.122 1.00 18.25 O +ATOM 2751 CB ASP B 100 32.415 35.296 154.515 1.00 14.86 C +ATOM 2752 CG ASP B 100 32.031 34.505 153.266 1.00 18.87 C +ATOM 2753 OD1 ASP B 100 32.585 33.406 153.054 1.00 25.68 O +ATOM 2754 OD2 ASP B 100 31.156 34.934 152.490 1.00 19.93 O +ATOM 2755 N ILE B 101 33.524 35.661 157.606 1.00 17.93 N +ATOM 2756 CA ILE B 101 34.149 36.492 158.655 1.00 16.13 C +ATOM 2757 C ILE B 101 35.451 35.853 159.165 1.00 16.80 C +ATOM 2758 O ILE B 101 36.495 36.496 159.170 1.00 18.05 O +ATOM 2759 CB ILE B 101 33.168 36.800 159.836 1.00 17.15 C +ATOM 2760 CG1 ILE B 101 32.082 37.778 159.384 1.00 19.21 C +ATOM 2761 CG2 ILE B 101 33.915 37.409 161.097 1.00 16.09 C +ATOM 2762 CD1 ILE B 101 30.892 37.945 160.380 1.00 16.50 C +ATOM 2763 N VAL B 102 35.380 34.586 159.537 1.00 17.27 N +ATOM 2764 CA VAL B 102 36.512 33.853 160.090 1.00 17.44 C +ATOM 2765 C VAL B 102 37.607 33.684 159.048 1.00 18.35 C +ATOM 2766 O VAL B 102 38.788 33.798 159.365 1.00 19.14 O +ATOM 2767 CB VAL B 102 36.073 32.437 160.654 1.00 19.02 C +ATOM 2768 CG1 VAL B 102 37.257 31.557 160.976 1.00 17.85 C +ATOM 2769 CG2 VAL B 102 35.144 32.574 161.870 1.00 14.21 C +ATOM 2770 N SER B 103 37.235 33.411 157.800 1.00 17.90 N +ATOM 2771 CA SER B 103 38.241 33.284 156.733 1.00 19.51 C +ATOM 2772 C SER B 103 39.012 34.596 156.553 1.00 18.34 C +ATOM 2773 O SER B 103 40.208 34.582 156.319 1.00 19.85 O +ATOM 2774 CB SER B 103 37.548 32.895 155.416 1.00 22.32 C +ATOM 2775 OG SER B 103 38.474 32.852 154.343 1.00 27.68 O +ATOM 2776 N SER B 104 38.330 35.743 156.624 1.00 18.26 N +ATOM 2777 CA SER B 104 39.042 37.037 156.513 1.00 18.22 C +ATOM 2778 C SER B 104 39.938 37.342 157.736 1.00 17.37 C +ATOM 2779 O SER B 104 41.108 37.652 157.572 1.00 18.07 O +ATOM 2780 CB SER B 104 38.064 38.169 156.248 1.00 19.55 C +ATOM 2781 OG SER B 104 37.487 37.997 154.971 1.00 21.91 O +ATOM 2782 N LEU B 105 39.392 37.208 158.946 1.00 17.74 N +ATOM 2783 CA LEU B 105 40.134 37.468 160.157 1.00 17.35 C +ATOM 2784 C LEU B 105 41.329 36.533 160.228 1.00 18.82 C +ATOM 2785 O LEU B 105 42.427 36.933 160.631 1.00 18.96 O +ATOM 2786 CB LEU B 105 39.243 37.290 161.385 1.00 17.54 C +ATOM 2787 CG LEU B 105 37.992 38.155 161.586 1.00 19.66 C +ATOM 2788 CD1 LEU B 105 37.203 37.667 162.813 1.00 14.04 C +ATOM 2789 CD2 LEU B 105 38.324 39.619 161.698 1.00 17.38 C +ATOM 2790 N HIS B 106 41.148 35.287 159.819 1.00 19.21 N +ATOM 2791 CA HIS B 106 42.259 34.338 159.847 1.00 21.47 C +ATOM 2792 C HIS B 106 43.469 34.766 158.967 1.00 21.04 C +ATOM 2793 O HIS B 106 44.605 34.694 159.418 1.00 22.73 O +ATOM 2794 CB HIS B 106 41.791 32.924 159.463 1.00 21.98 C +ATOM 2795 CG HIS B 106 42.841 31.881 159.678 1.00 22.00 C +ATOM 2796 ND1 HIS B 106 43.768 31.547 158.712 1.00 25.31 N +ATOM 2797 CD2 HIS B 106 43.129 31.122 160.762 1.00 22.57 C +ATOM 2798 CE1 HIS B 106 44.580 30.627 159.197 1.00 28.63 C +ATOM 2799 NE2 HIS B 106 44.219 30.361 160.443 1.00 25.76 N +ATOM 2800 N VAL B 107 43.204 35.205 157.734 1.00 21.79 N +ATOM 2801 CA VAL B 107 44.211 35.740 156.807 1.00 23.03 C +ATOM 2802 C VAL B 107 44.910 36.982 157.359 1.00 22.57 C +ATOM 2803 O VAL B 107 46.100 37.239 157.096 1.00 23.04 O +ATOM 2804 CB VAL B 107 43.557 36.119 155.447 1.00 26.37 C +ATOM 2805 CG1 VAL B 107 44.490 36.987 154.609 1.00 29.88 C +ATOM 2806 CG2 VAL B 107 43.173 34.871 154.675 1.00 19.24 C +ATOM 2807 N GLN B 108 44.170 37.749 158.137 1.00 22.01 N +ATOM 2808 CA GLN B 108 44.694 38.929 158.806 1.00 21.56 C +ATOM 2809 C GLN B 108 45.516 38.580 160.037 1.00 23.06 C +ATOM 2810 O GLN B 108 46.113 39.463 160.658 1.00 23.34 O +ATOM 2811 CB GLN B 108 43.536 39.834 159.202 1.00 21.06 C +ATOM 2812 CG GLN B 108 42.760 40.325 158.011 1.00 18.87 C +ATOM 2813 CD GLN B 108 41.431 40.823 158.395 1.00 18.88 C +ATOM 2814 OE1 GLN B 108 41.224 41.157 159.559 1.00 22.73 O +ATOM 2815 NE2 GLN B 108 40.500 40.885 157.433 1.00 14.82 N +ATOM 2816 N GLY B 109 45.500 37.314 160.436 1.00 22.65 N +ATOM 2817 CA GLY B 109 46.348 36.875 161.538 1.00 22.09 C +ATOM 2818 C GLY B 109 45.657 36.788 162.877 1.00 22.36 C +ATOM 2819 O GLY B 109 46.295 36.429 163.850 1.00 21.97 O +ATOM 2820 N PHE B 110 44.353 37.070 162.930 1.00 20.88 N +ATOM 2821 CA PHE B 110 43.601 36.951 164.160 1.00 19.28 C +ATOM 2822 C PHE B 110 43.272 35.487 164.480 1.00 20.48 C +ATOM 2823 O PHE B 110 43.053 34.679 163.563 1.00 21.29 O +ATOM 2824 CB PHE B 110 42.354 37.802 164.054 1.00 21.83 C +ATOM 2825 CG PHE B 110 42.655 39.265 163.918 1.00 19.07 C +ATOM 2826 CD1 PHE B 110 43.356 39.931 164.928 1.00 23.68 C +ATOM 2827 CD2 PHE B 110 42.239 39.987 162.818 1.00 20.75 C +ATOM 2828 CE1 PHE B 110 43.657 41.307 164.831 1.00 21.94 C +ATOM 2829 CE2 PHE B 110 42.537 41.355 162.706 1.00 22.51 C +ATOM 2830 CZ PHE B 110 43.251 42.014 163.727 1.00 21.14 C +ATOM 2831 N ARG B 111 43.270 35.127 165.767 1.00 19.85 N +ATOM 2832 CA ARG B 111 43.110 33.739 166.185 1.00 21.20 C +ATOM 2833 C ARG B 111 42.115 33.510 167.303 1.00 20.63 C +ATOM 2834 O ARG B 111 41.985 32.387 167.789 1.00 20.91 O +ATOM 2835 CB ARG B 111 44.463 33.186 166.620 1.00 21.00 C +ATOM 2836 CG ARG B 111 45.474 33.069 165.510 1.00 22.39 C +ATOM 2837 CD ARG B 111 45.084 32.057 164.454 1.00 22.73 C +ATOM 2838 NE ARG B 111 46.099 31.961 163.405 1.00 22.62 N +ATOM 2839 CZ ARG B 111 46.160 32.718 162.302 1.00 25.78 C +ATOM 2840 NH1 ARG B 111 45.257 33.668 162.023 1.00 21.22 N +ATOM 2841 NH2 ARG B 111 47.139 32.508 161.442 1.00 23.69 N +ATOM 2842 N LYS B 112 41.385 34.556 167.697 1.00 20.04 N +ATOM 2843 CA LYS B 112 40.493 34.494 168.847 1.00 20.49 C +ATOM 2844 C LYS B 112 39.291 35.398 168.630 1.00 19.38 C +ATOM 2845 O LYS B 112 39.441 36.600 168.449 1.00 19.63 O +ATOM 2846 CB LYS B 112 41.233 34.944 170.107 1.00 23.36 C +ATOM 2847 CG LYS B 112 42.272 33.995 170.619 1.00 23.79 C +ATOM 2848 CD LYS B 112 43.239 34.704 171.528 1.00 34.89 C +ATOM 2849 CE LYS B 112 44.353 33.779 171.986 1.00 38.98 C +ATOM 2850 NZ LYS B 112 45.115 34.403 173.086 1.00 43.60 N +ATOM 2851 N LEU B 113 38.116 34.790 168.623 1.00 19.03 N +ATOM 2852 CA LEU B 113 36.848 35.457 168.292 1.00 18.44 C +ATOM 2853 C LEU B 113 35.816 35.086 169.335 1.00 17.89 C +ATOM 2854 O LEU B 113 35.715 33.913 169.693 1.00 19.00 O +ATOM 2855 CB LEU B 113 36.349 35.001 166.891 1.00 16.99 C +ATOM 2856 CG LEU B 113 34.956 35.499 166.434 1.00 17.56 C +ATOM 2857 CD1 LEU B 113 35.005 36.992 166.257 1.00 12.40 C +ATOM 2858 CD2 LEU B 113 34.452 34.814 165.162 1.00 20.12 C +ATOM 2859 N LEU B 114 35.053 36.079 169.803 1.00 18.01 N +ATOM 2860 CA LEU B 114 33.847 35.864 170.601 1.00 17.55 C +ATOM 2861 C LEU B 114 32.612 36.373 169.824 1.00 17.25 C +ATOM 2862 O LEU B 114 32.532 37.530 169.447 1.00 18.69 O +ATOM 2863 CB LEU B 114 33.904 36.595 171.969 1.00 17.97 C +ATOM 2864 CG LEU B 114 32.606 36.545 172.840 1.00 18.47 C +ATOM 2865 CD1 LEU B 114 32.358 35.136 173.475 1.00 14.85 C +ATOM 2866 CD2 LEU B 114 32.595 37.615 173.918 1.00 15.04 C +ATOM 2867 N ILE B 115 31.654 35.501 169.622 1.00 17.36 N +ATOM 2868 CA ILE B 115 30.375 35.869 169.057 1.00 17.68 C +ATOM 2869 C ILE B 115 29.514 36.198 170.250 1.00 17.94 C +ATOM 2870 O ILE B 115 29.213 35.319 171.055 1.00 18.06 O +ATOM 2871 CB ILE B 115 29.713 34.708 168.277 1.00 17.82 C +ATOM 2872 CG1 ILE B 115 30.628 34.187 167.180 1.00 19.03 C +ATOM 2873 CG2 ILE B 115 28.380 35.166 167.691 1.00 15.06 C +ATOM 2874 CD1 ILE B 115 30.044 32.867 166.561 1.00 18.00 C +ATOM 2875 N LEU B 116 29.135 37.457 170.377 1.00 17.46 N +ATOM 2876 CA LEU B 116 28.292 37.867 171.481 1.00 17.08 C +ATOM 2877 C LEU B 116 26.923 38.116 170.909 1.00 17.57 C +ATOM 2878 O LEU B 116 26.692 39.100 170.227 1.00 18.05 O +ATOM 2879 CB LEU B 116 28.840 39.090 172.186 1.00 18.03 C +ATOM 2880 CG LEU B 116 28.081 39.491 173.472 1.00 19.67 C +ATOM 2881 CD1 LEU B 116 28.257 38.442 174.583 1.00 15.49 C +ATOM 2882 CD2 LEU B 116 28.540 40.884 173.914 1.00 15.98 C +ATOM 2883 N SER B 117 25.997 37.208 171.185 1.00 18.34 N +ATOM 2884 CA SER B 117 24.706 37.289 170.588 1.00 18.23 C +ATOM 2885 C SER B 117 23.718 38.077 171.451 1.00 20.40 C +ATOM 2886 O SER B 117 23.790 38.077 172.682 1.00 20.89 O +ATOM 2887 CB SER B 117 24.151 35.903 170.324 1.00 15.92 C +ATOM 2888 OG SER B 117 22.851 36.023 169.768 1.00 21.36 O +ATOM 2889 N GLY B 118 22.758 38.687 170.766 1.00 20.68 N +ATOM 2890 CA GLY B 118 21.633 39.335 171.384 1.00 20.53 C +ATOM 2891 C GLY B 118 20.323 38.712 171.040 1.00 19.96 C +ATOM 2892 O GLY B 118 19.316 39.253 171.399 1.00 21.68 O +ATOM 2893 N HIS B 119 20.322 37.565 170.371 1.00 19.96 N +ATOM 2894 CA HIS B 119 19.080 36.894 169.969 1.00 21.24 C +ATOM 2895 C HIS B 119 19.153 35.396 170.312 1.00 22.50 C +ATOM 2896 O HIS B 119 20.033 34.668 169.816 1.00 23.47 O +ATOM 2897 CB HIS B 119 18.841 37.123 168.469 1.00 20.60 C +ATOM 2898 CG HIS B 119 17.681 36.378 167.893 1.00 20.88 C +ATOM 2899 ND1 HIS B 119 16.393 36.553 168.331 1.00 19.63 N +ATOM 2900 CD2 HIS B 119 17.611 35.488 166.869 1.00 22.27 C +ATOM 2901 CE1 HIS B 119 15.573 35.817 167.597 1.00 24.62 C +ATOM 2902 NE2 HIS B 119 16.292 35.153 166.706 1.00 25.13 N +ATOM 2903 N GLY B 120 18.238 34.978 171.196 1.00 22.69 N +ATOM 2904 CA GLY B 120 18.128 33.599 171.671 1.00 23.25 C +ATOM 2905 C GLY B 120 17.875 32.556 170.584 1.00 23.70 C +ATOM 2906 O GLY B 120 18.324 31.414 170.718 1.00 24.83 O +ATOM 2907 N GLY B 121 17.201 32.967 169.501 1.00 23.47 N +ATOM 2908 CA GLY B 121 17.004 32.129 168.321 1.00 22.66 C +ATOM 2909 C GLY B 121 18.268 31.731 167.564 1.00 22.66 C +ATOM 2910 O GLY B 121 18.222 30.822 166.751 1.00 22.90 O +ATOM 2911 N ASN B 122 19.375 32.446 167.789 1.00 22.36 N +ATOM 2912 CA ASN B 122 20.659 32.135 167.179 1.00 21.53 C +ATOM 2913 C ASN B 122 21.369 31.021 167.935 1.00 22.09 C +ATOM 2914 O ASN B 122 21.433 31.028 169.157 1.00 21.88 O +ATOM 2915 CB ASN B 122 21.602 33.371 167.105 1.00 21.90 C +ATOM 2916 CG ASN B 122 21.064 34.498 166.230 1.00 19.94 C +ATOM 2917 OD1 ASN B 122 20.284 34.262 165.302 1.00 21.33 O +ATOM 2918 ND2 ASN B 122 21.455 35.739 166.542 1.00 18.19 N +ATOM 2919 N ASN B 123 21.919 30.068 167.192 1.00 21.20 N +ATOM 2920 CA ASN B 123 22.637 28.932 167.740 1.00 22.38 C +ATOM 2921 C ASN B 123 23.910 28.752 166.918 1.00 20.65 C +ATOM 2922 O ASN B 123 23.838 28.614 165.713 1.00 21.52 O +ATOM 2923 CB ASN B 123 21.723 27.706 167.658 1.00 24.99 C +ATOM 2924 CG ASN B 123 20.562 27.762 168.668 1.00 31.33 C +ATOM 2925 OD1 ASN B 123 20.777 27.597 169.881 1.00 41.34 O +ATOM 2926 ND2 ASN B 123 19.342 27.996 168.179 1.00 27.32 N +ATOM 2927 N PHE B 124 25.073 28.826 167.552 1.00 20.14 N +ATOM 2928 CA PHE B 124 26.373 28.813 166.833 1.00 19.32 C +ATOM 2929 C PHE B 124 27.233 27.589 167.134 1.00 18.89 C +ATOM 2930 O PHE B 124 28.362 27.512 166.674 1.00 19.12 O +ATOM 2931 CB PHE B 124 27.203 30.118 167.114 1.00 20.27 C +ATOM 2932 CG PHE B 124 26.438 31.408 166.825 1.00 19.82 C +ATOM 2933 CD1 PHE B 124 26.315 31.884 165.526 1.00 19.86 C +ATOM 2934 CD2 PHE B 124 25.810 32.097 167.842 1.00 19.18 C +ATOM 2935 CE1 PHE B 124 25.581 32.999 165.245 1.00 18.24 C +ATOM 2936 CE2 PHE B 124 25.069 33.247 167.577 1.00 18.99 C +ATOM 2937 CZ PHE B 124 24.955 33.699 166.277 1.00 18.55 C +ATOM 2938 N LYS B 125 26.729 26.633 167.908 1.00 19.12 N +ATOM 2939 CA LYS B 125 27.585 25.519 168.321 1.00 19.05 C +ATOM 2940 C LYS B 125 28.003 24.627 167.146 1.00 18.66 C +ATOM 2941 O LYS B 125 29.153 24.219 167.058 1.00 20.66 O +ATOM 2942 CB LYS B 125 26.917 24.699 169.424 1.00 17.89 C +ATOM 2943 CG LYS B 125 26.774 25.445 170.751 1.00 17.93 C +ATOM 2944 CD LYS B 125 26.277 24.509 171.856 1.00 23.75 C +ATOM 2945 CE LYS B 125 26.009 25.268 173.164 1.00 26.22 C +ATOM 2946 NZ LYS B 125 25.387 24.342 174.152 1.00 30.70 N +ATOM 2947 N GLY B 126 27.058 24.297 166.280 1.00 17.77 N +ATOM 2948 CA GLY B 126 27.322 23.487 165.083 1.00 18.21 C +ATOM 2949 C GLY B 126 28.278 24.195 164.132 1.00 19.46 C +ATOM 2950 O GLY B 126 29.188 23.558 163.589 1.00 17.89 O +HETATM 2951 N MSE B 127 28.116 25.517 163.957 1.00 19.53 N +HETATM 2952 CA MSE B 127 29.017 26.283 163.079 1.00 19.16 C +HETATM 2953 C MSE B 127 30.428 26.278 163.646 1.00 18.30 C +HETATM 2954 O MSE B 127 31.408 26.099 162.902 1.00 17.45 O +HETATM 2955 CB MSE B 127 28.585 27.748 162.955 1.00 22.24 C +HETATM 2956 CG MSE B 127 27.208 27.988 162.460 1.00 22.41 C +HETATM 2957 SE MSE B 127 26.718 29.848 162.355 0.75 16.98 SE +HETATM 2958 CE MSE B 127 24.820 29.531 162.519 1.00 12.00 C +ATOM 2959 N ILE B 128 30.525 26.509 164.956 1.00 18.43 N +ATOM 2960 CA ILE B 128 31.792 26.541 165.682 1.00 18.25 C +ATOM 2961 C ILE B 128 32.485 25.178 165.615 1.00 17.98 C +ATOM 2962 O ILE B 128 33.691 25.098 165.459 1.00 18.12 O +ATOM 2963 CB ILE B 128 31.611 26.953 167.179 1.00 16.45 C +ATOM 2964 CG1 ILE B 128 31.240 28.424 167.272 1.00 21.24 C +ATOM 2965 CG2 ILE B 128 32.945 26.773 167.981 1.00 15.57 C +ATOM 2966 CD1 ILE B 128 30.920 28.875 168.687 1.00 16.55 C +ATOM 2967 N ARG B 129 31.729 24.107 165.768 1.00 17.91 N +ATOM 2968 CA ARG B 129 32.314 22.773 165.672 1.00 18.23 C +ATOM 2969 C ARG B 129 32.930 22.532 164.295 1.00 19.25 C +ATOM 2970 O ARG B 129 34.038 22.027 164.189 1.00 20.04 O +ATOM 2971 CB ARG B 129 31.274 21.699 165.942 1.00 17.31 C +ATOM 2972 CG ARG B 129 31.026 21.477 167.402 1.00 21.09 C +ATOM 2973 CD ARG B 129 30.049 20.322 167.643 1.00 20.88 C +ATOM 2974 NE ARG B 129 30.091 19.942 169.049 1.00 22.23 N +ATOM 2975 CZ ARG B 129 29.204 20.327 169.960 1.00 22.44 C +ATOM 2976 NH1 ARG B 129 28.165 21.080 169.636 1.00 26.48 N +ATOM 2977 NH2 ARG B 129 29.350 19.949 171.211 1.00 24.86 N +ATOM 2978 N ASP B 130 32.185 22.890 163.247 1.00 18.89 N +ATOM 2979 CA ASP B 130 32.647 22.697 161.887 1.00 19.17 C +ATOM 2980 C ASP B 130 33.870 23.547 161.549 1.00 19.63 C +ATOM 2981 O ASP B 130 34.800 23.050 160.905 1.00 20.42 O +ATOM 2982 CB ASP B 130 31.504 22.922 160.912 1.00 20.03 C +ATOM 2983 CG ASP B 130 30.475 21.793 160.959 1.00 20.65 C +ATOM 2984 OD1 ASP B 130 30.849 20.698 161.406 1.00 22.93 O +ATOM 2985 OD2 ASP B 130 29.328 21.986 160.532 1.00 24.20 O +ATOM 2986 N LEU B 131 33.886 24.779 162.030 1.00 18.90 N +ATOM 2987 CA LEU B 131 35.001 25.684 161.810 1.00 19.78 C +ATOM 2988 C LEU B 131 36.242 25.317 162.639 1.00 20.60 C +ATOM 2989 O LEU B 131 37.360 25.695 162.257 1.00 21.30 O +ATOM 2990 CB LEU B 131 34.585 27.131 162.075 1.00 19.00 C +ATOM 2991 CG LEU B 131 33.700 27.798 161.004 1.00 17.42 C +ATOM 2992 CD1 LEU B 131 32.979 28.997 161.561 1.00 20.29 C +ATOM 2993 CD2 LEU B 131 34.526 28.232 159.794 1.00 17.89 C +ATOM 2994 N ALA B 132 36.054 24.589 163.743 1.00 20.91 N +ATOM 2995 CA ALA B 132 37.174 24.075 164.538 1.00 21.92 C +ATOM 2996 C ALA B 132 37.978 23.062 163.755 1.00 22.05 C +ATOM 2997 O ALA B 132 39.163 22.952 163.954 1.00 23.89 O +ATOM 2998 CB ALA B 132 36.696 23.459 165.846 1.00 19.63 C +ATOM 2999 N PHE B 133 37.342 22.319 162.864 1.00 24.09 N +ATOM 3000 CA PHE B 133 38.087 21.401 161.987 1.00 25.35 C +ATOM 3001 C PHE B 133 38.749 22.128 160.793 1.00 26.24 C +ATOM 3002 O PHE B 133 39.865 21.793 160.413 1.00 27.42 O +ATOM 3003 CB PHE B 133 37.180 20.232 161.546 1.00 25.65 C +ATOM 3004 CG PHE B 133 36.726 19.346 162.708 1.00 25.09 C +ATOM 3005 CD1 PHE B 133 37.646 18.680 163.494 1.00 27.43 C +ATOM 3006 CD2 PHE B 133 35.393 19.196 163.017 1.00 25.94 C +ATOM 3007 CE1 PHE B 133 37.229 17.891 164.560 1.00 23.89 C +ATOM 3008 CE2 PHE B 133 34.987 18.398 164.067 1.00 22.30 C +ATOM 3009 CZ PHE B 133 35.907 17.761 164.830 1.00 21.46 C +ATOM 3010 N GLU B 134 38.092 23.154 160.246 1.00 27.23 N +ATOM 3011 CA GLU B 134 38.667 23.942 159.135 1.00 28.97 C +ATOM 3012 C GLU B 134 39.795 24.824 159.621 1.00 25.87 C +ATOM 3013 O GLU B 134 40.796 24.939 158.977 1.00 25.30 O +ATOM 3014 CB GLU B 134 37.623 24.830 158.455 1.00 31.08 C +ATOM 3015 CG GLU B 134 36.410 24.101 157.919 1.00 46.43 C +ATOM 3016 CD GLU B 134 36.766 23.167 156.769 1.00 63.06 C +ATOM 3017 OE1 GLU B 134 37.199 23.696 155.712 1.00 69.08 O +ATOM 3018 OE2 GLU B 134 36.623 21.919 156.933 1.00 64.51 O +ATOM 3019 N TYR B 135 39.630 25.453 160.770 1.00 23.67 N +ATOM 3020 CA TYR B 135 40.645 26.345 161.284 1.00 22.17 C +ATOM 3021 C TYR B 135 40.970 25.960 162.716 1.00 22.82 C +ATOM 3022 O TYR B 135 40.521 26.598 163.652 1.00 20.54 O +ATOM 3023 CB TYR B 135 40.162 27.805 161.224 1.00 22.52 C +ATOM 3024 CG TYR B 135 39.714 28.328 159.877 1.00 19.44 C +ATOM 3025 CD1 TYR B 135 40.597 28.969 159.033 1.00 24.02 C +ATOM 3026 CD2 TYR B 135 38.394 28.237 159.477 1.00 24.40 C +ATOM 3027 CE1 TYR B 135 40.179 29.486 157.814 1.00 26.66 C +ATOM 3028 CE2 TYR B 135 37.973 28.736 158.253 1.00 20.69 C +ATOM 3029 CZ TYR B 135 38.873 29.355 157.434 1.00 23.30 C +ATOM 3030 OH TYR B 135 38.480 29.841 156.225 1.00 24.56 O +ATOM 3031 N PRO B 136 41.772 24.907 162.889 1.00 24.99 N +ATOM 3032 CA PRO B 136 42.098 24.415 164.212 1.00 25.87 C +ATOM 3033 C PRO B 136 42.924 25.343 165.078 1.00 25.71 C +ATOM 3034 O PRO B 136 42.952 25.132 166.288 1.00 27.22 O +ATOM 3035 CB PRO B 136 42.860 23.114 163.936 1.00 26.88 C +ATOM 3036 CG PRO B 136 43.348 23.247 162.563 1.00 29.60 C +ATOM 3037 CD PRO B 136 42.366 24.071 161.833 1.00 27.40 C +ATOM 3038 N ASP B 137 43.564 26.356 164.493 1.00 25.69 N +ATOM 3039 CA ASP B 137 44.296 27.377 165.280 1.00 25.84 C +ATOM 3040 C ASP B 137 43.464 28.592 165.676 1.00 24.36 C +ATOM 3041 O ASP B 137 43.995 29.481 166.301 1.00 24.28 O +ATOM 3042 CB ASP B 137 45.609 27.840 164.596 1.00 26.26 C +ATOM 3043 CG ASP B 137 45.420 28.315 163.159 1.00 33.49 C +ATOM 3044 OD1 ASP B 137 44.301 28.169 162.574 1.00 33.81 O +ATOM 3045 OD2 ASP B 137 46.434 28.813 162.598 1.00 40.84 O +ATOM 3046 N PHE B 138 42.167 28.603 165.341 1.00 23.24 N +ATOM 3047 CA PHE B 138 41.265 29.742 165.521 1.00 21.37 C +ATOM 3048 C PHE B 138 40.207 29.407 166.598 1.00 21.28 C +ATOM 3049 O PHE B 138 39.356 28.524 166.409 1.00 21.89 O +ATOM 3050 CB PHE B 138 40.601 30.078 164.179 1.00 23.23 C +ATOM 3051 CG PHE B 138 40.050 31.482 164.094 1.00 22.15 C +ATOM 3052 CD1 PHE B 138 38.823 31.795 164.671 1.00 30.99 C +ATOM 3053 CD2 PHE B 138 40.758 32.484 163.457 1.00 23.49 C +ATOM 3054 CE1 PHE B 138 38.323 33.069 164.609 1.00 29.02 C +ATOM 3055 CE2 PHE B 138 40.253 33.788 163.379 1.00 23.78 C +ATOM 3056 CZ PHE B 138 39.046 34.079 163.954 1.00 26.13 C +ATOM 3057 N LEU B 139 40.294 30.086 167.735 1.00 21.27 N +ATOM 3058 CA LEU B 139 39.370 29.893 168.830 1.00 21.68 C +ATOM 3059 C LEU B 139 38.108 30.716 168.600 1.00 21.07 C +ATOM 3060 O LEU B 139 38.160 31.938 168.409 1.00 22.09 O +ATOM 3061 CB LEU B 139 40.030 30.270 170.166 1.00 24.71 C +ATOM 3062 CG LEU B 139 39.166 30.122 171.430 1.00 23.95 C +ATOM 3063 CD1 LEU B 139 38.867 28.671 171.659 1.00 23.49 C +ATOM 3064 CD2 LEU B 139 39.933 30.733 172.587 1.00 23.33 C +ATOM 3065 N ILE B 140 36.977 30.027 168.600 1.00 19.76 N +ATOM 3066 CA ILE B 140 35.679 30.679 168.572 1.00 19.44 C +ATOM 3067 C ILE B 140 34.879 30.301 169.811 1.00 19.10 C +ATOM 3068 O ILE B 140 34.612 29.147 170.038 1.00 18.76 O +ATOM 3069 CB ILE B 140 34.842 30.338 167.302 1.00 19.09 C +ATOM 3070 CG1 ILE B 140 35.656 30.568 166.009 1.00 20.19 C +ATOM 3071 CG2 ILE B 140 33.558 31.167 167.301 1.00 16.57 C +ATOM 3072 CD1 ILE B 140 34.901 30.284 164.712 1.00 15.49 C +ATOM 3073 N ALA B 141 34.504 31.318 170.585 1.00 19.45 N +ATOM 3074 CA ALA B 141 33.567 31.197 171.694 1.00 18.40 C +ATOM 3075 C ALA B 141 32.243 31.893 171.335 1.00 18.12 C +ATOM 3076 O ALA B 141 32.252 32.868 170.578 1.00 19.66 O +ATOM 3077 CB ALA B 141 34.179 31.808 172.940 1.00 19.62 C +ATOM 3078 N ALA B 142 31.120 31.408 171.877 1.00 17.40 N +ATOM 3079 CA ALA B 142 29.835 32.080 171.782 1.00 18.03 C +ATOM 3080 C ALA B 142 29.177 32.318 173.182 1.00 19.37 C +ATOM 3081 O ALA B 142 29.295 31.487 174.078 1.00 19.37 O +ATOM 3082 CB ALA B 142 28.881 31.269 170.879 1.00 16.63 C +ATOM 3083 N ALA B 143 28.467 33.451 173.330 1.00 19.84 N +ATOM 3084 CA ALA B 143 27.628 33.738 174.525 1.00 20.57 C +ATOM 3085 C ALA B 143 26.440 34.602 174.142 1.00 20.59 C +ATOM 3086 O ALA B 143 26.589 35.467 173.306 1.00 20.27 O +ATOM 3087 CB ALA B 143 28.442 34.454 175.618 1.00 19.68 C +ATOM 3088 N ASN B 144 25.284 34.393 174.780 1.00 20.48 N +ATOM 3089 CA ASN B 144 24.212 35.379 174.818 1.00 21.34 C +ATOM 3090 C ASN B 144 24.463 36.411 175.941 1.00 21.33 C +ATOM 3091 O ASN B 144 24.696 36.015 177.081 1.00 21.24 O +ATOM 3092 CB ASN B 144 22.852 34.707 175.075 1.00 23.85 C +ATOM 3093 CG ASN B 144 22.338 33.892 173.875 1.00 27.19 C +ATOM 3094 OD1 ASN B 144 22.201 34.412 172.765 1.00 23.06 O +ATOM 3095 ND2 ASN B 144 22.036 32.612 174.117 1.00 21.68 N +ATOM 3096 N TRP B 145 24.393 37.717 175.650 1.00 19.94 N +ATOM 3097 CA TRP B 145 24.785 38.724 176.691 1.00 20.66 C +ATOM 3098 C TRP B 145 23.845 38.577 177.887 1.00 20.41 C +ATOM 3099 O TRP B 145 24.239 38.797 178.994 1.00 20.98 O +ATOM 3100 CB TRP B 145 24.794 40.193 176.178 1.00 20.39 C +ATOM 3101 CG TRP B 145 23.422 40.692 175.852 1.00 18.31 C +ATOM 3102 CD1 TRP B 145 22.806 40.614 174.659 1.00 19.66 C +ATOM 3103 CD2 TRP B 145 22.464 41.269 176.763 1.00 21.53 C +ATOM 3104 NE1 TRP B 145 21.522 41.095 174.750 1.00 21.58 N +ATOM 3105 CE2 TRP B 145 21.282 41.508 176.030 1.00 18.07 C +ATOM 3106 CE3 TRP B 145 22.479 41.573 178.133 1.00 22.95 C +ATOM 3107 CZ2 TRP B 145 20.138 42.078 176.603 1.00 19.38 C +ATOM 3108 CZ3 TRP B 145 21.327 42.137 178.707 1.00 19.05 C +ATOM 3109 CH2 TRP B 145 20.178 42.371 177.942 1.00 21.79 C +ATOM 3110 N PHE B 146 22.600 38.187 177.644 1.00 21.56 N +ATOM 3111 CA PHE B 146 21.588 38.145 178.690 1.00 21.06 C +ATOM 3112 C PHE B 146 21.643 36.872 179.562 1.00 21.55 C +ATOM 3113 O PHE B 146 20.834 36.714 180.473 1.00 23.39 O +ATOM 3114 CB PHE B 146 20.202 38.344 178.067 1.00 21.24 C +ATOM 3115 CG PHE B 146 19.933 37.448 176.918 1.00 21.80 C +ATOM 3116 CD1 PHE B 146 19.503 36.158 177.123 1.00 24.71 C +ATOM 3117 CD2 PHE B 146 20.121 37.889 175.609 1.00 23.96 C +ATOM 3118 CE1 PHE B 146 19.243 35.300 176.049 1.00 26.14 C +ATOM 3119 CE2 PHE B 146 19.871 37.045 174.522 1.00 27.15 C +ATOM 3120 CZ PHE B 146 19.424 35.747 174.748 1.00 27.55 C +ATOM 3121 N GLU B 147 22.593 35.976 179.271 1.00 21.95 N +ATOM 3122 CA GLU B 147 22.900 34.789 180.087 1.00 21.48 C +ATOM 3123 C GLU B 147 24.245 34.877 180.817 1.00 22.16 C +ATOM 3124 O GLU B 147 24.631 33.962 181.538 1.00 24.48 O +ATOM 3125 CB GLU B 147 22.903 33.543 179.214 1.00 20.81 C +ATOM 3126 CG GLU B 147 21.608 33.289 178.457 1.00 24.70 C +ATOM 3127 CD GLU B 147 21.659 32.006 177.598 1.00 25.40 C +ATOM 3128 OE1 GLU B 147 22.754 31.575 177.141 1.00 28.64 O +ATOM 3129 OE2 GLU B 147 20.593 31.424 177.404 1.00 32.05 O +ATOM 3130 N VAL B 148 24.979 35.956 180.659 1.00 23.22 N +ATOM 3131 CA VAL B 148 26.234 36.115 181.390 1.00 22.15 C +ATOM 3132 C VAL B 148 25.944 36.312 182.887 1.00 23.88 C +ATOM 3133 O VAL B 148 26.741 35.906 183.731 1.00 23.05 O +ATOM 3134 CB VAL B 148 27.079 37.245 180.796 1.00 21.59 C +ATOM 3135 CG1 VAL B 148 28.189 37.632 181.705 1.00 20.56 C +ATOM 3136 CG2 VAL B 148 27.644 36.826 179.388 1.00 20.07 C +ATOM 3137 N VAL B 149 24.815 36.952 183.203 1.00 23.42 N +ATOM 3138 CA VAL B 149 24.335 37.106 184.581 1.00 23.06 C +ATOM 3139 C VAL B 149 22.828 36.868 184.563 1.00 24.42 C +ATOM 3140 O VAL B 149 22.112 37.404 183.719 1.00 24.29 O +ATOM 3141 CB VAL B 149 24.670 38.500 185.180 1.00 24.08 C +ATOM 3142 CG1 VAL B 149 24.045 38.655 186.563 1.00 23.13 C +ATOM 3143 CG2 VAL B 149 26.190 38.702 185.236 1.00 19.77 C +ATOM 3144 N SER B 150 22.346 36.019 185.457 1.00 26.86 N +ATOM 3145 CA SER B 150 20.927 35.708 185.460 1.00 29.46 C +ATOM 3146 C SER B 150 20.143 36.952 185.857 1.00 29.85 C +ATOM 3147 O SER B 150 20.568 37.671 186.735 1.00 30.17 O +ATOM 3148 CB SER B 150 20.615 34.591 186.450 1.00 30.36 C +ATOM 3149 OG SER B 150 19.217 34.516 186.663 1.00 36.32 O +ATOM 3150 N PRO B 151 19.001 37.210 185.196 1.00 31.64 N +ATOM 3151 CA PRO B 151 18.148 38.321 185.583 1.00 32.74 C +ATOM 3152 C PRO B 151 17.401 38.157 186.903 1.00 34.44 C +ATOM 3153 O PRO B 151 16.837 39.149 187.367 1.00 34.37 O +ATOM 3154 CB PRO B 151 17.135 38.410 184.441 1.00 33.60 C +ATOM 3155 CG PRO B 151 17.119 37.055 183.823 1.00 34.70 C +ATOM 3156 CD PRO B 151 18.473 36.468 184.041 1.00 32.20 C +ATOM 3157 N LYS B 152 17.370 36.946 187.492 1.00 37.56 N +ATOM 3158 CA LYS B 152 16.712 36.734 188.800 1.00 39.92 C +ATOM 3159 C LYS B 152 17.213 37.759 189.803 1.00 39.63 C +ATOM 3160 O LYS B 152 18.408 37.877 190.028 1.00 39.79 O +ATOM 3161 CB LYS B 152 16.951 35.318 189.359 1.00 42.10 C +ATOM 3162 N GLY B 153 16.295 38.534 190.372 1.00 39.29 N +ATOM 3163 CA GLY B 153 16.664 39.508 191.401 1.00 38.09 C +ATOM 3164 C GLY B 153 17.037 40.895 190.904 1.00 35.25 C +ATOM 3165 O GLY B 153 17.238 41.805 191.721 1.00 35.78 O +ATOM 3166 N TYR B 154 17.144 41.055 189.576 1.00 29.29 N +ATOM 3167 CA TYR B 154 17.381 42.363 188.944 1.00 26.41 C +ATOM 3168 C TYR B 154 16.104 42.973 188.367 1.00 25.27 C +ATOM 3169 O TYR B 154 16.045 44.170 188.133 1.00 26.88 O +ATOM 3170 CB TYR B 154 18.406 42.214 187.823 1.00 25.75 C +ATOM 3171 CG TYR B 154 19.821 42.045 188.312 1.00 23.90 C +ATOM 3172 CD1 TYR B 154 20.569 43.136 188.670 1.00 20.97 C +ATOM 3173 CD2 TYR B 154 20.400 40.778 188.411 1.00 23.18 C +ATOM 3174 CE1 TYR B 154 21.881 42.991 189.117 1.00 26.40 C +ATOM 3175 CE2 TYR B 154 21.677 40.615 188.860 1.00 23.75 C +ATOM 3176 CZ TYR B 154 22.430 41.716 189.203 1.00 25.30 C +ATOM 3177 OH TYR B 154 23.732 41.555 189.627 1.00 28.17 O +ATOM 3178 N PHE B 155 15.085 42.156 188.136 1.00 25.62 N +ATOM 3179 CA PHE B 155 13.869 42.599 187.490 1.00 26.66 C +ATOM 3180 C PHE B 155 12.697 41.961 188.157 1.00 29.33 C +ATOM 3181 O PHE B 155 12.839 40.892 188.704 1.00 31.45 O +ATOM 3182 CB PHE B 155 13.924 42.235 185.998 1.00 25.38 C +ATOM 3183 CG PHE B 155 15.151 42.796 185.298 1.00 24.21 C +ATOM 3184 CD1 PHE B 155 15.267 44.163 185.067 1.00 18.62 C +ATOM 3185 CD2 PHE B 155 16.199 41.972 184.931 1.00 23.29 C +ATOM 3186 CE1 PHE B 155 16.396 44.692 184.475 1.00 22.92 C +ATOM 3187 CE2 PHE B 155 17.335 42.492 184.333 1.00 24.69 C +ATOM 3188 CZ PHE B 155 17.440 43.861 184.098 1.00 24.54 C +ATOM 3189 N GLU B 156 11.529 42.590 188.073 1.00 31.60 N +ATOM 3190 CA GLU B 156 10.342 42.128 188.763 1.00 33.85 C +ATOM 3191 C GLU B 156 9.493 41.116 187.998 1.00 34.05 C +ATOM 3192 O GLU B 156 8.925 40.214 188.605 1.00 34.93 O +ATOM 3193 CB GLU B 156 9.456 43.327 189.148 1.00 32.98 C +ATOM 3194 CG GLU B 156 10.130 44.299 190.113 1.00 37.89 C +ATOM 3195 CD GLU B 156 9.282 45.557 190.398 1.00 39.42 C +ATOM 3196 OE1 GLU B 156 8.141 45.399 190.903 1.00 43.89 O +ATOM 3197 OE2 GLU B 156 9.778 46.692 190.128 1.00 40.82 O +ATOM 3198 N ALA B 157 9.360 41.295 186.689 1.00 34.88 N +ATOM 3199 CA ALA B 157 8.471 40.464 185.890 1.00 34.80 C +ATOM 3200 C ALA B 157 8.974 39.013 185.882 1.00 35.86 C +ATOM 3201 O ALA B 157 10.173 38.753 185.768 1.00 35.44 O +ATOM 3202 CB ALA B 157 8.340 40.997 184.441 1.00 33.67 C +ATOM 3203 N GLU B 158 8.043 38.073 185.990 1.00 37.72 N +ATOM 3204 CA GLU B 158 8.438 36.675 186.053 1.00 41.09 C +ATOM 3205 C GLU B 158 8.691 36.110 184.662 1.00 38.00 C +ATOM 3206 O GLU B 158 9.713 35.468 184.426 1.00 37.96 O +ATOM 3207 CB GLU B 158 7.415 35.878 186.848 1.00 42.79 C +ATOM 3208 CG GLU B 158 7.413 36.327 188.314 1.00 51.81 C +ATOM 3209 CD GLU B 158 7.163 35.182 189.264 1.00 61.70 C +ATOM 3210 OE1 GLU B 158 8.153 34.681 189.851 1.00 58.49 O +ATOM 3211 OE2 GLU B 158 5.979 34.784 189.398 1.00 60.86 O +ATOM 3212 N ILE B 159 7.764 36.394 183.753 1.00 35.59 N +ATOM 3213 CA ILE B 159 7.922 36.117 182.324 1.00 34.12 C +ATOM 3214 C ILE B 159 8.637 37.320 181.684 1.00 32.64 C +ATOM 3215 O ILE B 159 8.183 38.457 181.769 1.00 30.74 O +ATOM 3216 CB ILE B 159 6.543 35.840 181.663 1.00 34.61 C +ATOM 3217 CG1 ILE B 159 5.833 34.681 182.383 1.00 34.97 C +ATOM 3218 CG2 ILE B 159 6.676 35.511 180.179 1.00 31.42 C +ATOM 3219 CD1 ILE B 159 4.378 34.527 181.973 1.00 35.10 C +ATOM 3220 N ASP B 160 9.773 37.042 181.062 1.00 31.49 N +ATOM 3221 CA ASP B 160 10.654 38.061 180.514 1.00 32.34 C +ATOM 3222 C ASP B 160 11.511 37.412 179.410 1.00 31.81 C +ATOM 3223 O ASP B 160 12.690 37.151 179.612 1.00 32.86 O +ATOM 3224 CB ASP B 160 11.518 38.617 181.657 1.00 31.36 C +ATOM 3225 CG ASP B 160 12.433 39.766 181.223 1.00 36.07 C +ATOM 3226 OD1 ASP B 160 12.383 40.163 180.034 1.00 39.98 O +ATOM 3227 OD2 ASP B 160 13.223 40.252 182.067 1.00 38.82 O +ATOM 3228 N ASP B 161 10.897 37.095 178.273 1.00 31.64 N +ATOM 3229 CA ASP B 161 11.557 36.281 177.226 1.00 30.73 C +ATOM 3230 C ASP B 161 12.000 37.080 176.013 1.00 29.35 C +ATOM 3231 O ASP B 161 13.000 36.778 175.410 1.00 30.09 O +ATOM 3232 CB ASP B 161 10.639 35.131 176.759 1.00 31.79 C +ATOM 3233 CG ASP B 161 10.644 33.948 177.728 1.00 37.13 C +ATOM 3234 OD1 ASP B 161 11.606 33.841 178.526 1.00 46.21 O +ATOM 3235 OD2 ASP B 161 9.688 33.136 177.703 1.00 44.02 O +ATOM 3236 N HIS B 162 11.240 38.098 175.653 1.00 26.53 N +ATOM 3237 CA HIS B 162 11.542 38.893 174.469 1.00 23.70 C +ATOM 3238 C HIS B 162 10.866 40.246 174.650 1.00 22.07 C +ATOM 3239 O HIS B 162 9.661 40.286 174.870 1.00 20.54 O +ATOM 3240 CB HIS B 162 10.993 38.144 173.223 1.00 23.21 C +ATOM 3241 CG HIS B 162 11.007 38.950 171.961 1.00 22.09 C +ATOM 3242 ND1 HIS B 162 12.168 39.370 171.350 1.00 23.38 N +ATOM 3243 CD2 HIS B 162 9.992 39.419 171.202 1.00 24.24 C +ATOM 3244 CE1 HIS B 162 11.861 40.071 170.274 1.00 26.20 C +ATOM 3245 NE2 HIS B 162 10.547 40.126 170.168 1.00 19.79 N +ATOM 3246 N ALA B 163 11.636 41.323 174.509 1.00 20.91 N +ATOM 3247 CA ALA B 163 11.142 42.713 174.597 1.00 21.91 C +ATOM 3248 C ALA B 163 10.479 42.949 175.922 1.00 23.29 C +ATOM 3249 O ALA B 163 9.552 43.744 175.997 1.00 23.62 O +ATOM 3250 CB ALA B 163 10.165 43.067 173.467 1.00 19.47 C +ATOM 3251 N GLY B 164 10.976 42.251 176.941 1.00 23.70 N +ATOM 3252 CA GLY B 164 10.430 42.290 178.294 1.00 24.22 C +ATOM 3253 C GLY B 164 11.126 43.320 179.162 1.00 23.37 C +ATOM 3254 O GLY B 164 11.734 44.294 178.664 1.00 23.40 O +ATOM 3255 N GLU B 165 11.032 43.111 180.470 1.00 22.93 N +ATOM 3256 CA GLU B 165 11.575 44.096 181.433 1.00 22.79 C +ATOM 3257 C GLU B 165 13.077 44.245 181.346 1.00 22.15 C +ATOM 3258 O GLU B 165 13.592 45.364 181.425 1.00 23.07 O +ATOM 3259 CB GLU B 165 11.148 43.783 182.871 1.00 22.14 C +ATOM 3260 CG GLU B 165 11.403 44.935 183.889 1.00 24.29 C +ATOM 3261 CD GLU B 165 11.059 44.530 185.322 1.00 21.46 C +ATOM 3262 OE1 GLU B 165 10.057 43.862 185.509 1.00 21.18 O +ATOM 3263 OE2 GLU B 165 11.823 44.849 186.247 1.00 27.20 O +ATOM 3264 N SER B 166 13.801 43.154 181.195 1.00 22.52 N +ATOM 3265 CA SER B 166 15.265 43.272 181.136 1.00 23.03 C +ATOM 3266 C SER B 166 15.735 43.974 179.875 1.00 22.73 C +ATOM 3267 O SER B 166 16.505 44.927 179.975 1.00 25.00 O +ATOM 3268 CB SER B 166 16.003 41.914 181.328 1.00 25.11 C +ATOM 3269 OG SER B 166 15.524 40.925 180.451 1.00 27.69 O +ATOM 3270 N GLU B 167 15.302 43.530 178.697 1.00 23.31 N +ATOM 3271 CA GLU B 167 15.811 44.137 177.463 1.00 23.01 C +ATOM 3272 C GLU B 167 15.432 45.608 177.397 1.00 21.06 C +ATOM 3273 O GLU B 167 16.247 46.438 176.974 1.00 20.89 O +ATOM 3274 CB GLU B 167 15.273 43.462 176.212 1.00 23.25 C +ATOM 3275 CG GLU B 167 16.122 42.369 175.678 1.00 25.34 C +ATOM 3276 CD GLU B 167 15.719 41.948 174.275 1.00 25.62 C +ATOM 3277 OE1 GLU B 167 14.491 41.832 174.004 1.00 22.65 O +ATOM 3278 OE2 GLU B 167 16.655 41.699 173.463 1.00 23.72 O +ATOM 3279 N THR B 168 14.200 45.907 177.794 1.00 20.20 N +ATOM 3280 CA THR B 168 13.723 47.293 177.826 1.00 20.64 C +ATOM 3281 C THR B 168 14.547 48.147 178.794 1.00 20.32 C +ATOM 3282 O THR B 168 15.018 49.208 178.420 1.00 22.02 O +ATOM 3283 CB THR B 168 12.255 47.381 178.211 1.00 19.70 C +ATOM 3284 OG1 THR B 168 11.493 46.520 177.374 1.00 17.89 O +ATOM 3285 CG2 THR B 168 11.763 48.832 178.097 1.00 17.04 C +ATOM 3286 N SER B 169 14.745 47.672 180.015 1.00 20.61 N +ATOM 3287 CA SER B 169 15.561 48.406 181.003 1.00 20.33 C +ATOM 3288 C SER B 169 16.981 48.634 180.479 1.00 21.05 C +ATOM 3289 O SER B 169 17.560 49.714 180.673 1.00 21.07 O +ATOM 3290 CB SER B 169 15.623 47.680 182.347 1.00 21.02 C +ATOM 3291 OG SER B 169 14.339 47.441 182.928 1.00 20.30 O +ATOM 3292 N VAL B 170 17.559 47.633 179.818 1.00 21.15 N +ATOM 3293 CA VAL B 170 18.931 47.802 179.282 1.00 19.93 C +ATOM 3294 C VAL B 170 18.949 48.833 178.122 1.00 20.08 C +ATOM 3295 O VAL B 170 19.837 49.673 178.066 1.00 22.86 O +ATOM 3296 CB VAL B 170 19.621 46.442 178.935 1.00 18.10 C +ATOM 3297 CG1 VAL B 170 21.040 46.654 178.343 1.00 17.34 C +ATOM 3298 CG2 VAL B 170 19.714 45.599 180.167 1.00 19.43 C +HETATM 3299 N MSE B 171 17.960 48.820 177.247 1.00 19.71 N +HETATM 3300 CA MSE B 171 17.852 49.879 176.229 1.00 20.68 C +HETATM 3301 C MSE B 171 17.599 51.268 176.837 1.00 21.11 C +HETATM 3302 O MSE B 171 18.146 52.273 176.377 1.00 21.39 O +HETATM 3303 CB MSE B 171 16.703 49.569 175.251 1.00 21.57 C +HETATM 3304 CG MSE B 171 16.599 50.508 174.043 1.00 23.30 C +HETATM 3305 SE MSE B 171 18.166 50.378 172.858 0.75 20.05 SE +HETATM 3306 CE MSE B 171 18.100 48.530 172.397 1.00 17.73 C +HETATM 3307 N MSE B 172 16.719 51.342 177.833 1.00 21.69 N +HETATM 3308 CA MSE B 172 16.491 52.612 178.535 1.00 21.55 C +HETATM 3309 C MSE B 172 17.800 53.218 179.087 1.00 22.21 C +HETATM 3310 O MSE B 172 17.986 54.434 179.102 1.00 23.48 O +HETATM 3311 CB MSE B 172 15.474 52.390 179.656 1.00 21.62 C +HETATM 3312 CG MSE B 172 14.104 52.152 179.097 1.00 21.05 C +HETATM 3313 SE MSE B 172 12.809 51.786 180.427 0.75 18.58 SE +HETATM 3314 CE MSE B 172 12.617 53.689 181.067 1.00 22.44 C +ATOM 3315 N HIS B 173 18.708 52.351 179.536 1.00 22.21 N +ATOM 3316 CA HIS B 173 20.015 52.751 180.025 1.00 21.65 C +ATOM 3317 C HIS B 173 20.926 53.187 178.885 1.00 23.29 C +ATOM 3318 O HIS B 173 21.521 54.266 178.949 1.00 22.88 O +ATOM 3319 CB HIS B 173 20.648 51.602 180.860 1.00 22.11 C +ATOM 3320 CG HIS B 173 22.115 51.795 181.138 1.00 25.58 C +ATOM 3321 ND1 HIS B 173 22.615 52.899 181.806 1.00 22.99 N +ATOM 3322 CD2 HIS B 173 23.190 51.031 180.812 1.00 21.84 C +ATOM 3323 CE1 HIS B 173 23.934 52.814 181.858 1.00 26.39 C +ATOM 3324 NE2 HIS B 173 24.306 51.687 181.270 1.00 23.44 N +ATOM 3325 N TYR B 174 21.053 52.378 177.823 1.00 22.71 N +ATOM 3326 CA TYR B 174 22.035 52.724 176.783 1.00 21.70 C +ATOM 3327 C TYR B 174 21.505 53.731 175.777 1.00 20.89 C +ATOM 3328 O TYR B 174 22.266 54.562 175.272 1.00 19.55 O +ATOM 3329 CB TYR B 174 22.515 51.486 176.031 1.00 21.22 C +ATOM 3330 CG TYR B 174 23.582 50.674 176.738 1.00 20.83 C +ATOM 3331 CD1 TYR B 174 24.812 51.232 177.045 1.00 21.63 C +ATOM 3332 CD2 TYR B 174 23.375 49.338 177.048 1.00 19.44 C +ATOM 3333 CE1 TYR B 174 25.805 50.496 177.684 1.00 21.18 C +ATOM 3334 CE2 TYR B 174 24.354 48.579 177.679 1.00 20.96 C +ATOM 3335 CZ TYR B 174 25.592 49.153 177.983 1.00 24.77 C +ATOM 3336 OH TYR B 174 26.607 48.393 178.589 1.00 18.21 O +ATOM 3337 N HIS B 175 20.234 53.607 175.426 1.00 21.82 N +ATOM 3338 CA HIS B 175 19.623 54.453 174.375 1.00 22.58 C +ATOM 3339 C HIS B 175 18.209 54.855 174.756 1.00 23.27 C +ATOM 3340 O HIS B 175 17.210 54.370 174.189 1.00 23.76 O +ATOM 3341 CB HIS B 175 19.641 53.722 173.026 1.00 23.46 C +ATOM 3342 CG HIS B 175 21.015 53.520 172.481 1.00 20.71 C +ATOM 3343 ND1 HIS B 175 21.727 54.535 171.882 1.00 24.54 N +ATOM 3344 CD2 HIS B 175 21.838 52.447 172.509 1.00 22.90 C +ATOM 3345 CE1 HIS B 175 22.915 54.083 171.525 1.00 27.33 C +ATOM 3346 NE2 HIS B 175 23.014 52.822 171.910 1.00 25.49 N +ATOM 3347 N PRO B 176 18.103 55.750 175.744 1.00 25.24 N +ATOM 3348 CA PRO B 176 16.759 56.140 176.184 1.00 26.30 C +ATOM 3349 C PRO B 176 15.962 56.859 175.106 1.00 25.74 C +ATOM 3350 O PRO B 176 14.747 56.840 175.161 1.00 27.44 O +ATOM 3351 CB PRO B 176 17.027 57.033 177.411 1.00 25.39 C +ATOM 3352 CG PRO B 176 18.445 57.454 177.283 1.00 25.16 C +ATOM 3353 CD PRO B 176 19.168 56.410 176.512 1.00 25.11 C +ATOM 3354 N GLU B 177 16.653 57.478 174.147 1.00 27.55 N +ATOM 3355 CA GLU B 177 16.056 58.137 172.977 1.00 27.39 C +ATOM 3356 C GLU B 177 15.405 57.172 171.972 1.00 27.42 C +ATOM 3357 O GLU B 177 14.567 57.597 171.198 1.00 26.88 O +ATOM 3358 CB GLU B 177 17.111 59.003 172.278 1.00 27.91 C +ATOM 3359 CG GLU B 177 18.206 58.271 171.398 1.00 32.14 C +ATOM 3360 CD GLU B 177 19.339 57.612 172.172 1.00 31.25 C +ATOM 3361 OE1 GLU B 177 19.376 57.717 173.412 1.00 32.31 O +ATOM 3362 OE2 GLU B 177 20.202 56.971 171.529 1.00 34.91 O +ATOM 3363 N LEU B 178 15.761 55.887 172.006 1.00 26.42 N +ATOM 3364 CA LEU B 178 15.228 54.901 171.052 1.00 25.74 C +ATOM 3365 C LEU B 178 14.049 54.072 171.581 1.00 26.54 C +ATOM 3366 O LEU B 178 13.600 53.142 170.907 1.00 28.06 O +ATOM 3367 CB LEU B 178 16.349 53.921 170.626 1.00 24.65 C +ATOM 3368 CG LEU B 178 17.544 54.417 169.819 1.00 22.03 C +ATOM 3369 CD1 LEU B 178 18.509 53.242 169.612 1.00 20.11 C +ATOM 3370 CD2 LEU B 178 17.122 55.012 168.473 1.00 26.40 C +ATOM 3371 N VAL B 179 13.599 54.356 172.803 1.00 26.81 N +ATOM 3372 CA VAL B 179 12.530 53.573 173.419 1.00 26.89 C +ATOM 3373 C VAL B 179 11.625 54.462 174.281 1.00 28.02 C +ATOM 3374 O VAL B 179 12.101 55.217 175.129 1.00 28.09 O +ATOM 3375 CB VAL B 179 13.065 52.355 174.255 1.00 25.43 C +ATOM 3376 CG1 VAL B 179 13.969 52.797 175.421 1.00 25.71 C +ATOM 3377 CG2 VAL B 179 11.921 51.532 174.787 1.00 25.92 C +ATOM 3378 N ASN B 180 10.323 54.380 174.024 1.00 29.20 N +ATOM 3379 CA ASN B 180 9.343 55.025 174.878 1.00 30.67 C +ATOM 3380 C ASN B 180 8.478 53.930 175.443 1.00 27.51 C +ATOM 3381 O ASN B 180 7.685 53.348 174.731 1.00 26.80 O +ATOM 3382 CB ASN B 180 8.505 56.057 174.115 1.00 33.08 C +ATOM 3383 CG ASN B 180 7.367 56.651 174.969 1.00 33.25 C +ATOM 3384 OD1 ASN B 180 7.350 56.538 176.201 1.00 30.32 O +ATOM 3385 ND2 ASN B 180 6.410 57.274 174.298 1.00 37.22 N +ATOM 3386 N LEU B 181 8.650 53.666 176.738 1.00 26.96 N +ATOM 3387 CA LEU B 181 8.010 52.534 177.398 1.00 26.73 C +ATOM 3388 C LEU B 181 6.493 52.670 177.457 1.00 27.17 C +ATOM 3389 O LEU B 181 5.791 51.655 177.418 1.00 26.85 O +ATOM 3390 CB LEU B 181 8.605 52.330 178.786 1.00 27.15 C +ATOM 3391 CG LEU B 181 8.032 51.261 179.714 1.00 27.10 C +ATOM 3392 CD1 LEU B 181 8.025 49.847 179.055 1.00 24.41 C +ATOM 3393 CD2 LEU B 181 8.818 51.310 181.010 1.00 21.23 C +ATOM 3394 N ALA B 182 5.983 53.900 177.481 1.00 27.84 N +ATOM 3395 CA ALA B 182 4.551 54.129 177.498 1.00 28.82 C +ATOM 3396 C ALA B 182 3.878 53.566 176.236 1.00 29.89 C +ATOM 3397 O ALA B 182 2.685 53.385 176.225 1.00 30.23 O +ATOM 3398 CB ALA B 182 4.247 55.645 177.669 1.00 28.48 C +ATOM 3399 N GLU B 183 4.653 53.290 175.181 1.00 30.60 N +ATOM 3400 CA GLU B 183 4.110 52.712 173.930 1.00 31.80 C +ATOM 3401 C GLU B 183 3.962 51.166 173.924 1.00 27.93 C +ATOM 3402 O GLU B 183 3.380 50.606 173.014 1.00 27.69 O +ATOM 3403 CB GLU B 183 4.957 53.200 172.726 1.00 31.98 C +ATOM 3404 CG GLU B 183 4.900 54.730 172.500 1.00 35.26 C +ATOM 3405 CD GLU B 183 5.984 55.255 171.510 1.00 39.52 C +ATOM 3406 OE1 GLU B 183 6.700 54.407 170.892 1.00 45.72 O +ATOM 3407 OE2 GLU B 183 6.111 56.505 171.348 1.00 40.60 O +ATOM 3408 N ALA B 184 4.440 50.504 174.972 1.00 26.84 N +ATOM 3409 CA ALA B 184 4.520 49.045 175.043 1.00 25.25 C +ATOM 3410 C ALA B 184 3.163 48.424 175.277 1.00 26.50 C +ATOM 3411 O ALA B 184 2.330 48.960 176.012 1.00 27.37 O +ATOM 3412 CB ALA B 184 5.492 48.613 176.184 1.00 21.77 C +ATOM 3413 N GLY B 185 2.946 47.262 174.684 1.00 25.88 N +ATOM 3414 CA GLY B 185 1.832 46.418 175.056 1.00 24.84 C +ATOM 3415 C GLY B 185 2.219 45.594 176.259 1.00 25.15 C +ATOM 3416 O GLY B 185 3.338 45.722 176.755 1.00 24.48 O +ATOM 3417 N ASP B 186 1.292 44.749 176.728 1.00 26.30 N +ATOM 3418 CA AASP B 186 1.532 43.925 177.927 0.50 26.81 C +ATOM 3419 CA BASP B 186 1.521 43.912 177.923 0.50 27.57 C +ATOM 3420 C ASP B 186 2.417 42.691 177.668 1.00 27.27 C +ATOM 3421 O ASP B 186 2.819 42.018 178.611 1.00 26.68 O +ATOM 3422 CB AASP B 186 0.195 43.489 178.563 0.50 26.46 C +ATOM 3423 CB BASP B 186 0.192 43.475 178.604 0.50 27.78 C +ATOM 3424 CG AASP B 186 -0.619 44.671 179.089 0.50 27.98 C +ATOM 3425 CG BASP B 186 -0.819 42.819 177.645 0.50 33.14 C +ATOM 3426 OD1AASP B 186 -0.096 45.810 179.078 0.50 26.79 O +ATOM 3427 OD1BASP B 186 -0.446 42.302 176.563 0.50 41.61 O +ATOM 3428 OD2AASP B 186 -1.783 44.460 179.512 0.50 32.58 O +ATOM 3429 OD2BASP B 186 -2.023 42.807 178.006 0.50 37.81 O +ATOM 3430 N GLY B 187 2.712 42.399 176.391 1.00 27.03 N +ATOM 3431 CA GLY B 187 3.544 41.251 176.038 1.00 26.83 C +ATOM 3432 C GLY B 187 2.973 39.936 176.541 1.00 26.78 C +ATOM 3433 O GLY B 187 3.718 39.043 176.977 1.00 25.87 O +ATOM 3434 N GLU B 188 1.649 39.823 176.462 1.00 27.88 N +ATOM 3435 CA GLU B 188 0.929 38.593 176.814 1.00 30.82 C +ATOM 3436 C GLU B 188 1.313 37.443 175.868 1.00 30.76 C +ATOM 3437 O GLU B 188 1.503 37.634 174.665 1.00 30.34 O +ATOM 3438 CB GLU B 188 -0.580 38.815 176.765 1.00 31.96 C +ATOM 3439 CG GLU B 188 -1.148 39.522 178.001 1.00 45.19 C +ATOM 3440 CD GLU B 188 -1.846 38.582 178.992 1.00 61.97 C +ATOM 3441 OE1 GLU B 188 -2.084 37.388 178.662 1.00 66.60 O +ATOM 3442 OE2 GLU B 188 -2.177 39.061 180.103 1.00 71.03 O +ATOM 3443 N SER B 189 1.452 36.263 176.443 1.00 32.01 N +ATOM 3444 CA SER B 189 1.828 35.072 175.698 1.00 32.91 C +ATOM 3445 C SER B 189 0.952 33.906 176.113 1.00 33.58 C +ATOM 3446 O SER B 189 0.536 33.817 177.263 1.00 34.31 O +ATOM 3447 CB SER B 189 3.286 34.718 175.967 1.00 33.82 C +ATOM 3448 OG SER B 189 3.449 34.184 177.286 1.00 39.26 O +ATOM 3449 N LYS B 190 0.674 33.028 175.156 1.00 32.66 N +ATOM 3450 CA LYS B 190 -0.138 31.828 175.346 1.00 34.24 C +ATOM 3451 C LYS B 190 0.764 30.602 175.246 1.00 31.79 C +ATOM 3452 O LYS B 190 1.655 30.566 174.403 1.00 30.97 O +ATOM 3453 CB LYS B 190 -1.190 31.756 174.238 1.00 34.61 C +ATOM 3454 CG LYS B 190 -2.437 30.982 174.634 1.00 42.69 C +ATOM 3455 CD LYS B 190 -3.625 31.306 173.726 1.00 48.63 C +ATOM 3456 CE LYS B 190 -3.626 30.491 172.438 1.00 54.64 C +ATOM 3457 NZ LYS B 190 -4.280 29.163 172.616 1.00 54.33 N +ATOM 3458 N PRO B 191 0.557 29.602 176.105 1.00 30.78 N +ATOM 3459 CA PRO B 191 1.366 28.378 176.032 1.00 29.69 C +ATOM 3460 C PRO B 191 0.901 27.422 174.932 1.00 27.15 C +ATOM 3461 O PRO B 191 -0.080 27.685 174.265 1.00 26.09 O +ATOM 3462 CB PRO B 191 1.141 27.750 177.404 1.00 30.41 C +ATOM 3463 CG PRO B 191 -0.250 28.150 177.746 1.00 31.04 C +ATOM 3464 CD PRO B 191 -0.402 29.551 177.226 1.00 30.63 C +ATOM 3465 N PHE B 192 1.608 26.311 174.752 1.00 26.47 N +ATOM 3466 CA PHE B 192 1.150 25.264 173.838 1.00 25.62 C +ATOM 3467 C PHE B 192 -0.035 24.528 174.474 1.00 25.85 C +ATOM 3468 O PHE B 192 -0.187 24.555 175.690 1.00 25.90 O +ATOM 3469 CB PHE B 192 2.254 24.241 173.592 1.00 24.90 C +ATOM 3470 CG PHE B 192 3.534 24.818 173.049 1.00 23.68 C +ATOM 3471 CD1 PHE B 192 3.569 25.432 171.802 1.00 24.87 C +ATOM 3472 CD2 PHE B 192 4.709 24.727 173.775 1.00 23.73 C +ATOM 3473 CE1 PHE B 192 4.786 25.937 171.286 1.00 25.88 C +ATOM 3474 CE2 PHE B 192 5.928 25.240 173.261 1.00 27.19 C +ATOM 3475 CZ PHE B 192 5.963 25.831 172.023 1.00 24.05 C +ATOM 3476 N ALA B 193 -0.829 23.845 173.657 1.00 26.09 N +ATOM 3477 CA ALA B 193 -1.871 22.914 174.135 1.00 27.14 C +ATOM 3478 C ALA B 193 -1.314 21.528 174.443 1.00 28.22 C +ATOM 3479 O ALA B 193 -2.042 20.678 174.959 1.00 29.30 O +ATOM 3480 CB ALA B 193 -3.007 22.793 173.113 1.00 25.57 C +ATOM 3481 N ILE B 194 -0.040 21.296 174.106 1.00 27.87 N +ATOM 3482 CA ILE B 194 0.658 20.041 174.407 1.00 25.24 C +ATOM 3483 C ILE B 194 1.439 20.297 175.703 1.00 26.22 C +ATOM 3484 O ILE B 194 2.451 21.005 175.690 1.00 26.43 O +ATOM 3485 CB ILE B 194 1.615 19.632 173.240 1.00 25.38 C +ATOM 3486 CG1 ILE B 194 0.834 19.453 171.921 1.00 24.52 C +ATOM 3487 CG2 ILE B 194 2.425 18.379 173.589 1.00 22.22 C +ATOM 3488 CD1 ILE B 194 1.697 18.991 170.676 1.00 23.00 C +ATOM 3489 N ALA B 195 0.952 19.723 176.813 1.00 25.74 N +ATOM 3490 CA ALA B 195 1.429 20.037 178.171 1.00 25.08 C +ATOM 3491 C ALA B 195 2.910 19.756 178.345 1.00 24.72 C +ATOM 3492 O ALA B 195 3.624 20.556 178.947 1.00 25.34 O +ATOM 3493 CB ALA B 195 0.609 19.257 179.239 1.00 25.18 C +ATOM 3494 N SER B 196 3.366 18.625 177.813 1.00 24.15 N +ATOM 3495 CA SER B 196 4.764 18.239 177.908 1.00 23.80 C +ATOM 3496 C SER B 196 5.726 19.211 177.185 1.00 23.39 C +ATOM 3497 O SER B 196 6.890 19.274 177.528 1.00 23.17 O +ATOM 3498 CB SER B 196 4.966 16.822 177.367 1.00 23.80 C +ATOM 3499 OG SER B 196 4.133 15.896 178.047 1.00 25.02 O +ATOM 3500 N LEU B 197 5.256 19.948 176.185 1.00 23.41 N +ATOM 3501 CA LEU B 197 6.093 20.986 175.582 1.00 24.09 C +ATOM 3502 C LEU B 197 6.212 22.200 176.506 1.00 25.18 C +ATOM 3503 O LEU B 197 7.276 22.830 176.585 1.00 25.95 O +ATOM 3504 CB LEU B 197 5.580 21.414 174.204 1.00 21.95 C +ATOM 3505 CG LEU B 197 5.604 20.318 173.132 1.00 24.60 C +ATOM 3506 CD1 LEU B 197 5.090 20.857 171.829 1.00 22.45 C +ATOM 3507 CD2 LEU B 197 6.983 19.649 172.968 1.00 14.47 C +ATOM 3508 N ASN B 198 5.130 22.531 177.205 1.00 26.52 N +ATOM 3509 CA ASN B 198 5.200 23.564 178.246 1.00 27.49 C +ATOM 3510 C ASN B 198 6.124 23.135 179.409 1.00 27.55 C +ATOM 3511 O ASN B 198 6.822 23.977 179.961 1.00 27.10 O +ATOM 3512 CB ASN B 198 3.799 23.931 178.763 1.00 27.28 C +ATOM 3513 CG ASN B 198 2.890 24.444 177.661 1.00 25.71 C +ATOM 3514 OD1 ASN B 198 3.285 25.283 176.825 1.00 24.98 O +ATOM 3515 ND2 ASN B 198 1.685 23.922 177.628 1.00 26.58 N +ATOM 3516 N GLU B 199 6.151 21.836 179.728 1.00 28.45 N +ATOM 3517 CA GLU B 199 7.048 21.294 180.766 1.00 31.08 C +ATOM 3518 C GLU B 199 8.466 21.069 180.252 1.00 30.17 C +ATOM 3519 O GLU B 199 9.349 20.684 181.026 1.00 29.79 O +ATOM 3520 CB GLU B 199 6.549 19.961 181.327 1.00 30.55 C +ATOM 3521 CG GLU B 199 5.080 19.881 181.812 1.00 37.30 C +ATOM 3522 CD GLU B 199 4.510 18.413 181.747 1.00 39.19 C +ATOM 3523 OE1 GLU B 199 5.312 17.434 181.831 1.00 47.79 O +ATOM 3524 OE2 GLU B 199 3.268 18.247 181.618 1.00 53.47 O +ATOM 3525 N LYS B 200 8.680 21.253 178.950 1.00 30.01 N +ATOM 3526 CA LYS B 200 10.011 21.175 178.359 1.00 29.78 C +ATOM 3527 C LYS B 200 10.586 19.761 178.314 1.00 27.57 C +ATOM 3528 O LYS B 200 11.798 19.567 178.377 1.00 27.91 O +ATOM 3529 CB LYS B 200 10.944 22.165 179.058 1.00 30.37 C +ATOM 3530 CG LYS B 200 10.354 23.577 179.029 1.00 35.39 C +ATOM 3531 CD LYS B 200 11.328 24.663 179.426 1.00 42.03 C +ATOM 3532 CE LYS B 200 10.800 26.045 178.995 1.00 48.92 C +ATOM 3533 NZ LYS B 200 11.887 27.049 178.835 1.00 53.95 N +ATOM 3534 N VAL B 201 9.710 18.763 178.191 1.00 25.40 N +ATOM 3535 CA VAL B 201 10.157 17.381 177.922 1.00 24.37 C +ATOM 3536 C VAL B 201 10.833 17.346 176.518 1.00 23.90 C +ATOM 3537 O VAL B 201 11.804 16.627 176.291 1.00 22.52 O +ATOM 3538 CB VAL B 201 8.965 16.415 178.000 1.00 22.96 C +ATOM 3539 CG1 VAL B 201 9.373 14.981 177.705 1.00 20.19 C +ATOM 3540 CG2 VAL B 201 8.280 16.553 179.360 1.00 20.18 C +ATOM 3541 N ALA B 202 10.278 18.146 175.595 1.00 22.61 N +ATOM 3542 CA ALA B 202 10.797 18.291 174.244 1.00 21.07 C +ATOM 3543 C ALA B 202 10.643 19.750 173.812 1.00 21.89 C +ATOM 3544 O ALA B 202 9.848 20.477 174.392 1.00 22.08 O +ATOM 3545 CB ALA B 202 10.047 17.388 173.334 1.00 19.37 C +ATOM 3546 N TRP B 203 11.414 20.178 172.813 1.00 22.29 N +ATOM 3547 CA TRP B 203 11.393 21.583 172.325 1.00 20.81 C +ATOM 3548 C TRP B 203 10.694 21.693 170.984 1.00 20.22 C +ATOM 3549 O TRP B 203 10.944 20.889 170.082 1.00 18.66 O +ATOM 3550 CB TRP B 203 12.829 22.122 172.201 1.00 20.87 C +ATOM 3551 CG TRP B 203 12.939 23.556 171.728 1.00 21.99 C +ATOM 3552 CD1 TRP B 203 12.939 24.688 172.498 1.00 23.42 C +ATOM 3553 CD2 TRP B 203 13.056 23.996 170.370 1.00 19.40 C +ATOM 3554 NE1 TRP B 203 13.046 25.818 171.687 1.00 24.61 N +ATOM 3555 CE2 TRP B 203 13.127 25.407 170.383 1.00 22.85 C +ATOM 3556 CE3 TRP B 203 13.110 23.333 169.148 1.00 21.93 C +ATOM 3557 CZ2 TRP B 203 13.256 26.147 169.230 1.00 25.23 C +ATOM 3558 CZ3 TRP B 203 13.257 24.074 168.008 1.00 21.74 C +ATOM 3559 CH2 TRP B 203 13.322 25.463 168.051 1.00 22.81 C +ATOM 3560 N VAL B 204 9.786 22.667 170.886 1.00 19.95 N +ATOM 3561 CA VAL B 204 9.153 23.089 169.656 1.00 20.30 C +ATOM 3562 C VAL B 204 9.232 24.622 169.657 1.00 21.71 C +ATOM 3563 O VAL B 204 9.014 25.241 170.692 1.00 21.54 O +ATOM 3564 CB VAL B 204 7.669 22.620 169.572 1.00 21.95 C +ATOM 3565 CG1 VAL B 204 6.963 23.281 168.410 1.00 19.77 C +ATOM 3566 CG2 VAL B 204 7.547 21.043 169.465 1.00 18.77 C +ATOM 3567 N PRO B 205 9.563 25.249 168.518 1.00 21.36 N +ATOM 3568 CA PRO B 205 9.527 26.719 168.521 1.00 22.40 C +ATOM 3569 C PRO B 205 8.137 27.298 168.805 1.00 22.59 C +ATOM 3570 O PRO B 205 7.126 26.736 168.374 1.00 23.10 O +ATOM 3571 CB PRO B 205 9.955 27.092 167.090 1.00 22.16 C +ATOM 3572 CG PRO B 205 9.646 25.877 166.277 1.00 21.29 C +ATOM 3573 CD PRO B 205 9.939 24.722 167.194 1.00 20.81 C +ATOM 3574 N ARG B 206 8.108 28.386 169.570 1.00 23.66 N +ATOM 3575 CA ARG B 206 6.887 29.128 169.852 1.00 25.11 C +ATOM 3576 C ARG B 206 6.369 29.715 168.559 1.00 22.52 C +ATOM 3577 O ARG B 206 7.137 30.271 167.804 1.00 21.90 O +ATOM 3578 CB ARG B 206 7.171 30.231 170.873 1.00 25.31 C +ATOM 3579 CG ARG B 206 5.993 31.187 171.154 1.00 28.56 C +ATOM 3580 CD ARG B 206 6.443 32.472 171.868 1.00 31.63 C +ATOM 3581 NE ARG B 206 7.187 32.254 173.120 1.00 39.34 N +ATOM 3582 CZ ARG B 206 6.626 31.941 174.298 1.00 47.36 C +ATOM 3583 NH1 ARG B 206 5.303 31.803 174.426 1.00 46.28 N +ATOM 3584 NH2 ARG B 206 7.391 31.784 175.380 1.00 46.76 N +ATOM 3585 N HIS B 207 5.075 29.569 168.270 1.00 22.41 N +ATOM 3586 CA HIS B 207 4.479 30.280 167.127 1.00 22.58 C +ATOM 3587 C HIS B 207 3.971 31.697 167.534 1.00 24.19 C +ATOM 3588 O HIS B 207 3.054 31.852 168.346 1.00 23.76 O +ATOM 3589 CB HIS B 207 3.360 29.456 166.483 1.00 22.85 C +ATOM 3590 CG HIS B 207 3.815 28.148 165.901 1.00 23.21 C +ATOM 3591 ND1 HIS B 207 3.181 27.556 164.834 1.00 26.06 N +ATOM 3592 CD2 HIS B 207 4.856 27.335 166.218 1.00 23.04 C +ATOM 3593 CE1 HIS B 207 3.803 26.430 164.521 1.00 25.19 C +ATOM 3594 NE2 HIS B 207 4.822 26.272 165.349 1.00 20.27 N +ATOM 3595 N TRP B 208 4.578 32.723 166.953 1.00 24.37 N +ATOM 3596 CA TRP B 208 4.303 34.125 167.317 1.00 24.44 C +ATOM 3597 C TRP B 208 2.865 34.565 167.038 1.00 25.55 C +ATOM 3598 O TRP B 208 2.260 35.294 167.820 1.00 25.91 O +ATOM 3599 CB TRP B 208 5.290 35.071 166.620 1.00 24.15 C +ATOM 3600 CG TRP B 208 6.162 35.768 167.571 1.00 25.28 C +ATOM 3601 CD1 TRP B 208 6.111 37.089 167.918 1.00 24.32 C +ATOM 3602 CD2 TRP B 208 7.225 35.192 168.343 1.00 23.75 C +ATOM 3603 NE1 TRP B 208 7.071 37.369 168.861 1.00 25.36 N +ATOM 3604 CE2 TRP B 208 7.773 36.231 169.135 1.00 22.10 C +ATOM 3605 CE3 TRP B 208 7.777 33.915 168.426 1.00 23.67 C +ATOM 3606 CZ2 TRP B 208 8.830 36.039 169.978 1.00 22.89 C +ATOM 3607 CZ3 TRP B 208 8.840 33.723 169.287 1.00 27.82 C +ATOM 3608 CH2 TRP B 208 9.351 34.778 170.056 1.00 28.77 C +ATOM 3609 N ASP B 209 2.338 34.112 165.916 1.00 26.06 N +ATOM 3610 CA ASP B 209 0.962 34.353 165.512 1.00 28.15 C +ATOM 3611 C ASP B 209 -0.074 33.758 166.496 1.00 29.38 C +ATOM 3612 O ASP B 209 -1.146 34.318 166.663 1.00 29.51 O +ATOM 3613 CB ASP B 209 0.716 33.839 164.067 1.00 27.26 C +ATOM 3614 CG ASP B 209 1.098 32.353 163.875 1.00 31.58 C +ATOM 3615 OD1 ASP B 209 2.166 31.872 164.356 1.00 28.15 O +ATOM 3616 OD2 ASP B 209 0.324 31.653 163.193 1.00 37.07 O +ATOM 3617 N LYS B 210 0.262 32.644 167.147 1.00 29.63 N +ATOM 3618 CA LYS B 210 -0.649 31.972 168.060 1.00 30.08 C +ATOM 3619 C LYS B 210 -0.425 32.393 169.509 1.00 29.92 C +ATOM 3620 O LYS B 210 -1.361 32.398 170.302 1.00 31.26 O +ATOM 3621 CB LYS B 210 -0.474 30.451 167.960 1.00 31.58 C +ATOM 3622 CG LYS B 210 -0.668 29.849 166.585 1.00 33.90 C +ATOM 3623 CD LYS B 210 -2.120 29.843 166.145 1.00 39.99 C +ATOM 3624 CE LYS B 210 -2.232 29.143 164.780 1.00 47.56 C +ATOM 3625 NZ LYS B 210 -3.590 29.280 164.167 1.00 51.21 N +ATOM 3626 N ALA B 211 0.814 32.740 169.832 1.00 29.23 N +ATOM 3627 CA ALA B 211 1.255 32.867 171.194 1.00 29.11 C +ATOM 3628 C ALA B 211 1.475 34.301 171.649 1.00 30.36 C +ATOM 3629 O ALA B 211 1.609 34.527 172.835 1.00 31.98 O +ATOM 3630 CB ALA B 211 2.541 32.032 171.408 1.00 29.56 C +ATOM 3631 N THR B 212 1.539 35.274 170.737 1.00 30.69 N +ATOM 3632 CA THR B 212 1.724 36.680 171.152 1.00 32.64 C +ATOM 3633 C THR B 212 0.705 37.605 170.456 1.00 32.56 C +ATOM 3634 O THR B 212 0.126 37.253 169.420 1.00 35.51 O +ATOM 3635 CB THR B 212 3.188 37.199 170.934 1.00 31.85 C +ATOM 3636 OG1 THR B 212 3.326 37.716 169.610 1.00 44.64 O +ATOM 3637 CG2 THR B 212 4.235 36.096 171.146 1.00 28.65 C +ATOM 3638 N VAL B 213 0.475 38.773 171.045 1.00 32.70 N +ATOM 3639 CA VAL B 213 -0.462 39.757 170.508 1.00 33.29 C +ATOM 3640 C VAL B 213 0.278 40.919 169.900 1.00 31.44 C +ATOM 3641 O VAL B 213 0.015 41.314 168.760 1.00 32.31 O +ATOM 3642 CB VAL B 213 -1.361 40.335 171.611 1.00 35.69 C +ATOM 3643 CG1 VAL B 213 -2.267 41.432 171.035 1.00 37.76 C +ATOM 3644 CG2 VAL B 213 -2.148 39.207 172.285 1.00 36.79 C +ATOM 3645 N ASP B 214 1.215 41.456 170.669 1.00 29.13 N +ATOM 3646 CA ASP B 214 1.950 42.657 170.301 1.00 28.95 C +ATOM 3647 C ASP B 214 3.379 42.356 169.842 1.00 27.42 C +ATOM 3648 O ASP B 214 4.139 43.293 169.559 1.00 26.08 O +ATOM 3649 CB ASP B 214 1.942 43.656 171.477 1.00 29.71 C +ATOM 3650 CG ASP B 214 2.506 43.069 172.786 1.00 33.65 C +ATOM 3651 OD1 ASP B 214 3.473 42.252 172.749 1.00 35.17 O +ATOM 3652 OD2 ASP B 214 2.003 43.460 173.859 1.00 33.65 O +ATOM 3653 N SER B 215 3.707 41.058 169.750 1.00 25.98 N +ATOM 3654 CA SER B 215 5.053 40.532 169.398 1.00 25.52 C +ATOM 3655 C SER B 215 6.046 40.408 170.573 1.00 25.49 C +ATOM 3656 O SER B 215 7.121 39.791 170.421 1.00 26.99 O +ATOM 3657 CB SER B 215 5.672 41.270 168.192 1.00 23.42 C +ATOM 3658 OG SER B 215 6.529 42.341 168.571 1.00 25.53 O +ATOM 3659 N GLY B 216 5.709 40.972 171.731 1.00 23.63 N +ATOM 3660 CA GLY B 216 6.500 40.788 172.933 1.00 22.49 C +ATOM 3661 C GLY B 216 6.098 39.537 173.705 1.00 22.67 C +ATOM 3662 O GLY B 216 4.933 39.056 173.623 1.00 22.39 O +ATOM 3663 N VAL B 217 7.052 38.998 174.447 1.00 23.29 N +ATOM 3664 CA VAL B 217 6.791 37.905 175.379 1.00 24.14 C +ATOM 3665 C VAL B 217 7.287 38.325 176.762 1.00 24.63 C +ATOM 3666 O VAL B 217 8.466 38.220 177.052 1.00 24.21 O +ATOM 3667 CB VAL B 217 7.484 36.562 174.946 1.00 24.48 C +ATOM 3668 CG1 VAL B 217 6.971 35.392 175.819 1.00 23.49 C +ATOM 3669 CG2 VAL B 217 7.208 36.290 173.494 1.00 20.59 C +ATOM 3670 N GLY B 218 6.370 38.785 177.616 1.00 25.21 N +ATOM 3671 CA GLY B 218 6.740 39.323 178.927 1.00 25.62 C +ATOM 3672 C GLY B 218 6.372 40.809 179.015 1.00 26.47 C +ATOM 3673 O GLY B 218 6.631 41.590 178.078 1.00 25.92 O +ATOM 3674 N ASN B 219 5.786 41.200 180.146 1.00 27.03 N +ATOM 3675 CA ASN B 219 5.362 42.575 180.374 1.00 26.25 C +ATOM 3676 C ASN B 219 6.576 43.441 180.724 1.00 24.35 C +ATOM 3677 O ASN B 219 7.299 43.156 181.688 1.00 25.00 O +ATOM 3678 CB ASN B 219 4.320 42.599 181.488 1.00 26.75 C +ATOM 3679 CG ASN B 219 3.594 43.909 181.578 1.00 29.76 C +ATOM 3680 OD1 ASN B 219 4.089 44.960 181.139 1.00 30.15 O +ATOM 3681 ND2 ASN B 219 2.407 43.864 182.147 1.00 26.59 N +ATOM 3682 N PRO B 220 6.845 44.476 179.914 1.00 23.56 N +ATOM 3683 CA PRO B 220 7.976 45.375 180.186 1.00 25.03 C +ATOM 3684 C PRO B 220 7.673 46.557 181.123 1.00 25.63 C +ATOM 3685 O PRO B 220 8.560 47.362 181.353 1.00 24.59 O +ATOM 3686 CB PRO B 220 8.316 45.918 178.787 1.00 24.11 C +ATOM 3687 CG PRO B 220 6.989 45.994 178.102 1.00 22.52 C +ATOM 3688 CD PRO B 220 6.159 44.835 178.656 1.00 24.06 C +ATOM 3689 N LYS B 221 6.443 46.650 181.630 1.00 27.44 N +ATOM 3690 CA LYS B 221 5.901 47.852 182.348 1.00 28.98 C +ATOM 3691 C LYS B 221 6.813 48.512 183.412 1.00 27.12 C +ATOM 3692 O LYS B 221 6.864 49.755 183.537 1.00 27.19 O +ATOM 3693 CB LYS B 221 4.577 47.473 183.017 1.00 30.81 C +ATOM 3694 CG LYS B 221 3.872 48.634 183.720 1.00 42.80 C +ATOM 3695 CD LYS B 221 2.391 48.342 184.041 1.00 39.99 C +ATOM 3696 CE LYS B 221 1.652 49.632 184.482 1.00 45.17 C +ATOM 3697 NZ LYS B 221 0.185 49.447 184.463 1.00 49.68 N +ATOM 3698 N LYS B 222 7.514 47.663 184.161 1.00 26.49 N +ATOM 3699 CA LYS B 222 8.329 48.060 185.289 1.00 26.41 C +ATOM 3700 C LYS B 222 9.770 48.336 184.915 1.00 25.16 C +ATOM 3701 O LYS B 222 10.579 48.590 185.799 1.00 24.77 O +ATOM 3702 CB LYS B 222 8.299 46.977 186.387 1.00 28.97 C +ATOM 3703 CG LYS B 222 6.888 46.536 186.837 1.00 32.22 C +ATOM 3704 CD LYS B 222 6.224 47.616 187.672 1.00 42.51 C +ATOM 3705 CE LYS B 222 4.721 47.407 187.831 1.00 47.42 C +ATOM 3706 NZ LYS B 222 4.159 48.375 188.826 1.00 48.48 N +ATOM 3707 N ALA B 223 10.098 48.331 183.625 1.00 23.95 N +ATOM 3708 CA ALA B 223 11.455 48.640 183.196 1.00 22.80 C +ATOM 3709 C ALA B 223 11.899 50.056 183.580 1.00 22.74 C +ATOM 3710 O ALA B 223 11.114 51.004 183.539 1.00 22.35 O +ATOM 3711 CB ALA B 223 11.615 48.409 181.672 1.00 18.31 C +ATOM 3712 N THR B 224 13.167 50.204 183.940 1.00 22.21 N +ATOM 3713 CA THR B 224 13.725 51.528 184.221 1.00 22.06 C +ATOM 3714 C THR B 224 15.164 51.565 183.795 1.00 22.04 C +ATOM 3715 O THR B 224 15.802 50.530 183.725 1.00 21.55 O +ATOM 3716 CB THR B 224 13.659 51.868 185.723 1.00 24.38 C +ATOM 3717 OG1 THR B 224 14.537 51.004 186.457 1.00 21.18 O +ATOM 3718 CG2 THR B 224 12.236 51.737 186.269 1.00 17.67 C +ATOM 3719 N ALA B 225 15.685 52.754 183.503 1.00 21.82 N +ATOM 3720 CA ALA B 225 17.131 52.923 183.223 1.00 21.69 C +ATOM 3721 C ALA B 225 17.997 52.460 184.398 1.00 24.39 C +ATOM 3722 O ALA B 225 19.103 51.884 184.225 1.00 24.35 O +ATOM 3723 CB ALA B 225 17.456 54.407 182.870 1.00 19.19 C +ATOM 3724 N GLU B 226 17.506 52.727 185.611 1.00 26.28 N +ATOM 3725 CA GLU B 226 18.218 52.348 186.825 1.00 26.87 C +ATOM 3726 C GLU B 226 18.433 50.869 186.843 1.00 24.12 C +ATOM 3727 O GLU B 226 19.540 50.400 187.063 1.00 23.95 O +ATOM 3728 CB GLU B 226 17.423 52.762 188.076 1.00 29.09 C +ATOM 3729 CG GLU B 226 18.112 52.446 189.425 1.00 34.94 C +ATOM 3730 CD GLU B 226 17.419 53.088 190.662 1.00 33.60 C +ATOM 3731 OE1 GLU B 226 16.770 54.148 190.540 1.00 51.27 O +ATOM 3732 OE2 GLU B 226 17.539 52.533 191.773 1.00 54.85 O +ATOM 3733 N LYS B 227 17.354 50.122 186.633 1.00 23.43 N +ATOM 3734 CA LYS B 227 17.421 48.661 186.649 1.00 24.03 C +ATOM 3735 C LYS B 227 18.354 48.140 185.567 1.00 23.53 C +ATOM 3736 O LYS B 227 19.092 47.183 185.802 1.00 24.47 O +ATOM 3737 CB LYS B 227 16.049 48.044 186.493 1.00 23.51 C +ATOM 3738 CG LYS B 227 15.175 48.114 187.721 1.00 24.61 C +ATOM 3739 CD LYS B 227 13.879 47.424 187.389 1.00 27.19 C +ATOM 3740 CE LYS B 227 12.852 47.465 188.455 1.00 24.76 C +ATOM 3741 NZ LYS B 227 11.511 46.997 187.903 1.00 20.49 N +ATOM 3742 N GLY B 228 18.347 48.787 184.405 1.00 23.73 N +ATOM 3743 CA GLY B 228 19.231 48.417 183.301 1.00 23.34 C +ATOM 3744 C GLY B 228 20.687 48.648 183.600 1.00 23.75 C +ATOM 3745 O GLY B 228 21.531 47.824 183.264 1.00 23.91 O +ATOM 3746 N GLU B 229 20.990 49.789 184.219 1.00 24.96 N +ATOM 3747 CA GLU B 229 22.368 50.151 184.580 1.00 26.91 C +ATOM 3748 C GLU B 229 22.959 49.173 185.603 1.00 25.84 C +ATOM 3749 O GLU B 229 24.177 48.873 185.593 1.00 25.30 O +ATOM 3750 CB GLU B 229 22.379 51.574 185.164 1.00 27.39 C +ATOM 3751 CG GLU B 229 23.760 52.122 185.544 1.00 32.26 C +ATOM 3752 CD GLU B 229 23.680 53.526 186.190 1.00 37.19 C +ATOM 3753 OE1 GLU B 229 22.653 53.816 186.876 1.00 47.16 O +ATOM 3754 OE2 GLU B 229 24.633 54.328 186.002 1.00 48.99 O +ATOM 3755 N ARG B 230 22.081 48.703 186.491 1.00 25.36 N +ATOM 3756 CA ARG B 230 22.465 47.844 187.585 1.00 28.41 C +ATOM 3757 C ARG B 230 22.794 46.445 187.086 1.00 25.28 C +ATOM 3758 O ARG B 230 23.774 45.847 187.526 1.00 25.81 O +ATOM 3759 CB ARG B 230 21.373 47.795 188.660 1.00 27.71 C +ATOM 3760 CG ARG B 230 21.606 46.671 189.710 1.00 41.02 C +ATOM 3761 CD ARG B 230 20.909 46.861 191.064 1.00 39.41 C +ATOM 3762 NE ARG B 230 19.458 46.659 191.004 1.00 56.00 N +ATOM 3763 CZ ARG B 230 18.548 47.639 190.959 1.00 58.31 C +ATOM 3764 NH1 ARG B 230 18.904 48.928 190.939 1.00 62.34 N +ATOM 3765 NH2 ARG B 230 17.258 47.324 190.924 1.00 56.29 N +ATOM 3766 N TYR B 231 21.948 45.928 186.195 1.00 23.81 N +ATOM 3767 CA TYR B 231 22.134 44.612 185.567 1.00 23.00 C +ATOM 3768 C TYR B 231 23.350 44.544 184.650 1.00 22.35 C +ATOM 3769 O TYR B 231 24.030 43.534 184.670 1.00 25.03 O +ATOM 3770 CB TYR B 231 20.841 44.224 184.832 1.00 25.32 C +ATOM 3771 CG TYR B 231 20.769 42.842 184.211 1.00 25.20 C +ATOM 3772 CD1 TYR B 231 21.045 41.685 184.948 1.00 25.76 C +ATOM 3773 CD2 TYR B 231 20.352 42.695 182.883 1.00 23.59 C +ATOM 3774 CE1 TYR B 231 20.949 40.401 184.345 1.00 22.48 C +ATOM 3775 CE2 TYR B 231 20.244 41.463 182.296 1.00 23.05 C +ATOM 3776 CZ TYR B 231 20.542 40.324 183.021 1.00 22.65 C +ATOM 3777 OH TYR B 231 20.427 39.137 182.380 1.00 26.83 O +ATOM 3778 N VAL B 232 23.647 45.575 183.857 1.00 22.77 N +ATOM 3779 CA VAL B 232 24.763 45.471 182.913 1.00 22.45 C +ATOM 3780 C VAL B 232 26.130 45.606 183.559 1.00 23.63 C +ATOM 3781 O VAL B 232 27.126 45.195 182.976 1.00 23.56 O +ATOM 3782 CB VAL B 232 24.676 46.445 181.660 1.00 26.61 C +ATOM 3783 CG1 VAL B 232 23.283 46.403 181.037 1.00 25.12 C +ATOM 3784 CG2 VAL B 232 25.128 47.876 181.966 1.00 22.23 C +ATOM 3785 N LYS B 233 26.211 46.209 184.742 1.00 23.78 N +ATOM 3786 CA LYS B 233 27.523 46.402 185.362 1.00 28.90 C +ATOM 3787 C LYS B 233 28.264 45.070 185.589 1.00 22.81 C +ATOM 3788 O LYS B 233 29.417 44.936 185.199 1.00 23.97 O +ATOM 3789 CB LYS B 233 27.405 47.240 186.656 1.00 31.25 C +ATOM 3790 CG LYS B 233 28.723 47.829 187.146 1.00 37.27 C +ATOM 3791 CD LYS B 233 28.493 48.783 188.329 1.00 40.25 C +ATOM 3792 CE LYS B 233 28.203 48.023 189.637 1.00 52.14 C +ATOM 3793 NZ LYS B 233 29.414 47.896 190.502 1.00 54.71 N +ATOM 3794 N PRO B 234 27.610 44.078 186.211 1.00 21.93 N +ATOM 3795 CA PRO B 234 28.257 42.751 186.328 1.00 22.08 C +ATOM 3796 C PRO B 234 28.456 42.000 184.994 1.00 21.27 C +ATOM 3797 O PRO B 234 29.451 41.278 184.851 1.00 21.15 O +ATOM 3798 CB PRO B 234 27.308 41.985 187.255 1.00 21.27 C +ATOM 3799 CG PRO B 234 25.965 42.678 187.077 1.00 21.97 C +ATOM 3800 CD PRO B 234 26.290 44.110 186.873 1.00 23.14 C +ATOM 3801 N ILE B 235 27.554 42.187 184.019 1.00 21.71 N +ATOM 3802 CA ILE B 235 27.730 41.571 182.669 1.00 20.59 C +ATOM 3803 C ILE B 235 29.022 42.118 182.044 1.00 20.92 C +ATOM 3804 O ILE B 235 29.891 41.365 181.591 1.00 22.22 O +ATOM 3805 CB ILE B 235 26.511 41.842 181.754 1.00 21.73 C +ATOM 3806 CG1 ILE B 235 25.281 41.123 182.307 1.00 20.09 C +ATOM 3807 CG2 ILE B 235 26.749 41.387 180.291 1.00 19.07 C +ATOM 3808 CD1 ILE B 235 24.003 41.518 181.674 1.00 19.93 C +ATOM 3809 N VAL B 236 29.169 43.438 182.079 1.00 20.57 N +ATOM 3810 CA VAL B 236 30.295 44.079 181.483 1.00 20.39 C +ATOM 3811 C VAL B 236 31.583 43.655 182.163 1.00 21.45 C +ATOM 3812 O VAL B 236 32.621 43.583 181.524 1.00 22.17 O +ATOM 3813 CB VAL B 236 30.165 45.646 181.538 1.00 21.84 C +ATOM 3814 CG1 VAL B 236 31.500 46.301 181.226 1.00 18.43 C +ATOM 3815 CG2 VAL B 236 29.122 46.141 180.609 1.00 16.48 C +ATOM 3816 N GLU B 237 31.532 43.417 183.467 1.00 23.17 N +ATOM 3817 CA GLU B 237 32.731 42.986 184.211 1.00 23.59 C +ATOM 3818 C GLU B 237 33.124 41.553 183.927 1.00 21.84 C +ATOM 3819 O GLU B 237 34.317 41.246 183.829 1.00 22.04 O +ATOM 3820 CB GLU B 237 32.575 43.137 185.723 1.00 24.59 C +ATOM 3821 CG GLU B 237 33.955 43.417 186.372 1.00 33.53 C +ATOM 3822 CD GLU B 237 33.991 43.239 187.896 1.00 38.83 C +ATOM 3823 OE1 GLU B 237 32.910 43.411 188.557 1.00 48.01 O +ATOM 3824 OE2 GLU B 237 35.114 42.923 188.416 1.00 44.60 O +ATOM 3825 N LYS B 238 32.126 40.673 183.869 1.00 22.27 N +ATOM 3826 CA LYS B 238 32.355 39.287 183.484 1.00 23.11 C +ATOM 3827 C LYS B 238 32.942 39.146 182.072 1.00 22.35 C +ATOM 3828 O LYS B 238 33.874 38.396 181.872 1.00 22.38 O +ATOM 3829 CB LYS B 238 31.076 38.478 183.653 1.00 25.17 C +ATOM 3830 CG LYS B 238 30.922 37.978 185.055 1.00 27.29 C +ATOM 3831 CD LYS B 238 29.677 37.147 185.215 1.00 35.67 C +ATOM 3832 CE LYS B 238 29.369 36.907 186.700 1.00 45.17 C +ATOM 3833 NZ LYS B 238 30.592 36.535 187.484 1.00 46.05 N +ATOM 3834 N LEU B 239 32.414 39.893 181.098 1.00 22.70 N +ATOM 3835 CA LEU B 239 32.908 39.808 179.717 1.00 21.40 C +ATOM 3836 C LEU B 239 34.306 40.388 179.608 1.00 20.82 C +ATOM 3837 O LEU B 239 35.149 39.834 178.920 1.00 20.40 O +ATOM 3838 CB LEU B 239 31.949 40.505 178.740 1.00 21.43 C +ATOM 3839 CG LEU B 239 30.606 39.787 178.541 1.00 21.81 C +ATOM 3840 CD1 LEU B 239 29.629 40.700 177.787 1.00 19.46 C +ATOM 3841 CD2 LEU B 239 30.866 38.482 177.804 1.00 18.63 C +ATOM 3842 N ALA B 240 34.558 41.491 180.303 1.00 21.37 N +ATOM 3843 CA ALA B 240 35.925 42.062 180.336 1.00 20.73 C +ATOM 3844 C ALA B 240 36.930 41.037 180.877 1.00 20.61 C +ATOM 3845 O ALA B 240 38.033 40.863 180.340 1.00 22.65 O +ATOM 3846 CB ALA B 240 35.950 43.361 181.158 1.00 21.19 C +ATOM 3847 N GLY B 241 36.551 40.356 181.949 1.00 21.13 N +ATOM 3848 CA GLY B 241 37.361 39.262 182.469 1.00 21.28 C +ATOM 3849 C GLY B 241 37.617 38.137 181.472 1.00 21.98 C +ATOM 3850 O GLY B 241 38.736 37.611 181.373 1.00 22.32 O +ATOM 3851 N LEU B 242 36.574 37.712 180.762 1.00 21.27 N +ATOM 3852 CA LEU B 242 36.760 36.736 179.678 1.00 21.23 C +ATOM 3853 C LEU B 242 37.690 37.262 178.578 1.00 21.56 C +ATOM 3854 O LEU B 242 38.568 36.562 178.131 1.00 21.59 O +ATOM 3855 CB LEU B 242 35.402 36.323 179.117 1.00 21.96 C +ATOM 3856 CG LEU B 242 35.316 35.513 177.824 1.00 22.83 C +ATOM 3857 CD1 LEU B 242 35.926 34.147 177.941 1.00 18.88 C +ATOM 3858 CD2 LEU B 242 33.821 35.402 177.497 1.00 19.19 C +ATOM 3859 N PHE B 243 37.518 38.492 178.131 1.00 22.38 N +ATOM 3860 CA PHE B 243 38.449 39.029 177.092 1.00 23.41 C +ATOM 3861 C PHE B 243 39.893 38.934 177.564 1.00 23.95 C +ATOM 3862 O PHE B 243 40.780 38.558 176.806 1.00 25.18 O +ATOM 3863 CB PHE B 243 38.171 40.505 176.736 1.00 23.86 C +ATOM 3864 CG PHE B 243 36.767 40.797 176.243 1.00 20.86 C +ATOM 3865 CD1 PHE B 243 35.866 39.784 175.953 1.00 26.05 C +ATOM 3866 CD2 PHE B 243 36.361 42.103 176.068 1.00 23.72 C +ATOM 3867 CE1 PHE B 243 34.608 40.063 175.532 1.00 23.86 C +ATOM 3868 CE2 PHE B 243 35.072 42.398 175.615 1.00 22.95 C +ATOM 3869 CZ PHE B 243 34.202 41.376 175.350 1.00 25.49 C +ATOM 3870 N GLU B 244 40.126 39.298 178.821 1.00 24.17 N +ATOM 3871 CA GLU B 244 41.477 39.268 179.408 1.00 24.63 C +ATOM 3872 C GLU B 244 42.047 37.881 179.453 1.00 24.41 C +ATOM 3873 O GLU B 244 43.182 37.683 179.053 1.00 26.48 O +ATOM 3874 CB GLU B 244 41.462 39.813 180.826 1.00 26.05 C +ATOM 3875 CG GLU B 244 41.430 41.312 180.867 1.00 30.35 C +ATOM 3876 CD GLU B 244 40.829 41.869 182.149 1.00 31.98 C +ATOM 3877 OE1 GLU B 244 40.495 41.084 183.067 1.00 35.38 O +ATOM 3878 OE2 GLU B 244 40.681 43.112 182.228 1.00 36.90 O +ATOM 3879 N GLU B 245 41.264 36.909 179.909 1.00 24.93 N +ATOM 3880 CA GLU B 245 41.708 35.517 179.968 1.00 25.27 C +ATOM 3881 C GLU B 245 41.915 34.855 178.599 1.00 26.36 C +ATOM 3882 O GLU B 245 42.869 34.085 178.427 1.00 26.99 O +ATOM 3883 CB GLU B 245 40.710 34.701 180.792 1.00 25.54 C +ATOM 3884 CG GLU B 245 40.661 35.115 182.256 1.00 28.79 C +ATOM 3885 CD GLU B 245 39.397 34.658 182.960 1.00 29.58 C +ATOM 3886 OE1 GLU B 245 38.480 34.167 182.273 1.00 31.56 O +ATOM 3887 OE2 GLU B 245 39.327 34.795 184.201 1.00 35.17 O +HETATM 3888 N MSE B 246 41.011 35.106 177.638 1.00 26.14 N +HETATM 3889 CA MSE B 246 41.228 34.654 176.258 1.00 26.20 C +HETATM 3890 C MSE B 246 42.519 35.243 175.679 1.00 28.46 C +HETATM 3891 O MSE B 246 43.220 34.597 174.904 1.00 29.07 O +HETATM 3892 CB MSE B 246 40.065 35.052 175.359 1.00 26.52 C +HETATM 3893 CG MSE B 246 38.803 34.318 175.650 1.00 27.92 C +HETATM 3894 SE MSE B 246 37.304 34.879 174.554 0.75 30.31 SE +HETATM 3895 CE MSE B 246 37.824 34.030 172.773 1.00 24.48 C +ATOM 3896 N ALA B 247 42.818 36.485 176.044 1.00 29.96 N +ATOM 3897 CA ALA B 247 44.011 37.165 175.579 1.00 30.66 C +ATOM 3898 C ALA B 247 45.280 36.572 176.186 1.00 30.93 C +ATOM 3899 O ALA B 247 46.305 36.466 175.496 1.00 31.93 O +ATOM 3900 CB ALA B 247 43.921 38.670 175.898 1.00 30.82 C +ATOM 3901 N GLN B 248 45.225 36.184 177.458 1.00 30.40 N +ATOM 3902 CA GLN B 248 46.441 35.853 178.191 1.00 33.39 C +ATOM 3903 C GLN B 248 46.690 34.362 178.366 1.00 33.77 C +ATOM 3904 O GLN B 248 47.793 33.960 178.739 1.00 34.47 O +ATOM 3905 CB GLN B 248 46.404 36.536 179.550 1.00 33.04 C +ATOM 3906 CG GLN B 248 46.356 38.053 179.415 1.00 38.12 C +ATOM 3907 CD GLN B 248 46.075 38.762 180.722 1.00 40.47 C +ATOM 3908 OE1 GLN B 248 45.445 38.211 181.637 1.00 43.88 O +ATOM 3909 NE2 GLN B 248 46.533 40.004 180.814 1.00 42.99 N +ATOM 3910 N HIS B 249 45.672 33.542 178.106 1.00 33.32 N +ATOM 3911 CA HIS B 249 45.805 32.105 178.241 1.00 33.18 C +ATOM 3912 C HIS B 249 45.452 31.355 176.953 1.00 32.58 C +ATOM 3913 O HIS B 249 44.571 31.750 176.188 1.00 33.17 O +ATOM 3914 CB HIS B 249 44.921 31.585 179.381 1.00 32.20 C +ATOM 3915 CG HIS B 249 45.291 32.119 180.719 1.00 36.11 C +ATOM 3916 ND1 HIS B 249 46.254 31.533 181.515 1.00 39.98 N +ATOM 3917 CD2 HIS B 249 44.820 33.182 181.414 1.00 38.01 C +ATOM 3918 CE1 HIS B 249 46.363 32.214 182.641 1.00 43.23 C +ATOM 3919 NE2 HIS B 249 45.498 33.215 182.608 1.00 41.64 N +ATOM 3920 N ASP B 250 46.151 30.246 176.752 1.00 32.45 N +ATOM 3921 CA ASP B 250 45.727 29.222 175.815 1.00 31.53 C +ATOM 3922 C ASP B 250 44.530 28.491 176.401 1.00 28.60 C +ATOM 3923 O ASP B 250 44.316 28.489 177.631 1.00 27.86 O +ATOM 3924 CB ASP B 250 46.849 28.222 175.580 1.00 34.67 C +ATOM 3925 CG ASP B 250 48.104 28.877 175.074 1.00 39.27 C +ATOM 3926 OD1 ASP B 250 48.066 29.531 174.000 1.00 46.07 O +ATOM 3927 OD2 ASP B 250 49.128 28.719 175.752 1.00 51.20 O +ATOM 3928 N LEU B 251 43.754 27.868 175.515 1.00 26.69 N +ATOM 3929 CA LEU B 251 42.509 27.219 175.886 1.00 26.00 C +ATOM 3930 C LEU B 251 42.775 26.194 176.966 1.00 25.77 C +ATOM 3931 O LEU B 251 42.007 26.068 177.916 1.00 24.09 O +ATOM 3932 CB LEU B 251 41.862 26.580 174.650 1.00 25.44 C +ATOM 3933 CG LEU B 251 40.454 26.028 174.843 1.00 25.14 C +ATOM 3934 CD1 LEU B 251 39.568 27.157 175.274 1.00 22.42 C +ATOM 3935 CD2 LEU B 251 39.979 25.367 173.551 1.00 24.31 C +ATOM 3936 N TYR B 252 43.875 25.468 176.790 1.00 27.16 N +ATOM 3937 CA TYR B 252 44.348 24.478 177.738 1.00 28.54 C +ATOM 3938 C TYR B 252 45.836 24.760 178.012 1.00 31.77 C +ATOM 3939 O TYR B 252 46.574 25.190 177.116 1.00 31.99 O +ATOM 3940 CB TYR B 252 44.183 23.073 177.172 1.00 28.58 C +ATOM 3941 CG TYR B 252 42.754 22.582 177.030 1.00 27.27 C +ATOM 3942 CD1 TYR B 252 42.120 21.880 178.064 1.00 23.89 C +ATOM 3943 CD2 TYR B 252 42.053 22.779 175.842 1.00 26.56 C +ATOM 3944 CE1 TYR B 252 40.837 21.423 177.923 1.00 25.00 C +ATOM 3945 CE2 TYR B 252 40.761 22.327 175.701 1.00 21.69 C +ATOM 3946 CZ TYR B 252 40.166 21.650 176.726 1.00 23.40 C +ATOM 3947 OH TYR B 252 38.880 21.226 176.553 1.00 27.17 O +ATOM 3948 N GLU B 253 46.278 24.532 179.242 1.00 37.00 N +ATOM 3949 CA GLU B 253 47.690 24.750 179.585 1.00 44.45 C +ATOM 3950 C GLU B 253 48.292 23.595 180.391 1.00 44.58 C +ATOM 3951 O GLU B 253 47.597 22.801 181.014 1.00 46.14 O +ATOM 3952 CB GLU B 253 47.871 26.101 180.312 1.00 46.48 C +ATOM 3953 CG GLU B 253 47.920 27.322 179.341 1.00 48.47 C +ATOM 3954 CD GLU B 253 47.801 28.675 180.052 1.00 46.36 C +ATOM 3955 OE1 GLU B 253 47.395 28.704 181.243 1.00 41.04 O +ATOM 3956 OE2 GLU B 253 48.117 29.702 179.405 1.00 43.02 O +ATOM 3957 OXT GLU B 253 49.518 23.421 180.414 1.00 49.17 O +TER 3958 GLU B 253 +HETATM 3959 N MSE C 1 11.174 -8.080 170.827 1.00 39.22 N +HETATM 3960 CA MSE C 1 10.998 -7.684 169.396 1.00 39.78 C +HETATM 3961 C MSE C 1 9.587 -7.181 169.159 1.00 37.34 C +HETATM 3962 O MSE C 1 8.636 -7.899 169.436 1.00 37.75 O +HETATM 3963 CB MSE C 1 11.255 -8.854 168.465 1.00 38.56 C +HETATM 3964 CG MSE C 1 10.985 -8.522 166.973 1.00 42.32 C +HETATM 3965 SE MSE C 1 11.462 -9.969 165.736 0.75 40.23 SE +HETATM 3966 CE MSE C 1 13.376 -10.207 166.464 1.00 43.40 C +ATOM 3967 N ASN C 2 9.459 -5.971 168.621 1.00 33.42 N +ATOM 3968 CA ASN C 2 8.169 -5.365 168.405 1.00 30.83 C +ATOM 3969 C ASN C 2 8.040 -4.714 167.033 1.00 29.78 C +ATOM 3970 O ASN C 2 8.388 -3.547 166.828 1.00 27.48 O +ATOM 3971 CB ASN C 2 7.903 -4.365 169.518 1.00 31.32 C +ATOM 3972 CG ASN C 2 6.432 -4.013 169.658 1.00 30.37 C +ATOM 3973 OD1 ASN C 2 5.656 -4.077 168.691 1.00 29.18 O +ATOM 3974 ND2 ASN C 2 6.044 -3.597 170.873 1.00 27.97 N +ATOM 3975 N LYS C 3 7.487 -5.478 166.100 1.00 28.82 N +ATOM 3976 CA LYS C 3 7.342 -5.036 164.717 1.00 30.05 C +ATOM 3977 C LYS C 3 6.277 -3.961 164.550 1.00 28.70 C +ATOM 3978 O LYS C 3 6.202 -3.273 163.507 1.00 27.80 O +ATOM 3979 CB LYS C 3 7.014 -6.231 163.828 1.00 31.74 C +ATOM 3980 CG LYS C 3 8.136 -7.269 163.708 1.00 32.54 C +ATOM 3981 CD LYS C 3 7.906 -8.073 162.413 1.00 32.64 C +ATOM 3982 CE LYS C 3 8.869 -9.239 162.247 1.00 35.82 C +ATOM 3983 NZ LYS C 3 8.604 -9.968 160.949 1.00 31.60 N +ATOM 3984 N GLU C 4 5.463 -3.787 165.576 1.00 27.41 N +ATOM 3985 CA GLU C 4 4.442 -2.757 165.523 1.00 27.73 C +ATOM 3986 C GLU C 4 5.033 -1.325 165.642 1.00 23.73 C +ATOM 3987 O GLU C 4 4.600 -0.414 164.953 1.00 24.35 O +ATOM 3988 CB GLU C 4 3.381 -3.024 166.605 1.00 25.21 C +ATOM 3989 CG GLU C 4 2.090 -2.297 166.346 1.00 31.00 C +ATOM 3990 CD GLU C 4 0.964 -2.673 167.325 1.00 33.36 C +ATOM 3991 OE1 GLU C 4 1.130 -3.609 168.163 1.00 36.36 O +ATOM 3992 OE2 GLU C 4 -0.080 -1.989 167.252 1.00 31.50 O +ATOM 3993 N VAL C 5 6.030 -1.149 166.495 1.00 21.59 N +ATOM 3994 CA VAL C 5 6.572 0.175 166.801 1.00 20.98 C +ATOM 3995 C VAL C 5 8.095 0.351 166.574 1.00 20.39 C +ATOM 3996 O VAL C 5 8.633 1.428 166.815 1.00 20.16 O +ATOM 3997 CB VAL C 5 6.215 0.546 168.256 1.00 23.01 C +ATOM 3998 CG1 VAL C 5 4.706 0.445 168.464 1.00 18.46 C +ATOM 3999 CG2 VAL C 5 6.967 -0.379 169.261 1.00 16.63 C +ATOM 4000 N ASP C 6 8.777 -0.685 166.116 1.00 19.50 N +ATOM 4001 CA ASP C 6 10.225 -0.645 165.931 1.00 19.50 C +ATOM 4002 C ASP C 6 10.491 -0.980 164.466 1.00 19.91 C +ATOM 4003 O ASP C 6 10.378 -2.138 164.093 1.00 20.20 O +ATOM 4004 CB ASP C 6 10.927 -1.631 166.909 1.00 17.64 C +ATOM 4005 CG ASP C 6 12.440 -1.542 166.887 1.00 22.46 C +ATOM 4006 OD1 ASP C 6 13.031 -0.616 166.262 1.00 22.45 O +ATOM 4007 OD2 ASP C 6 13.058 -2.424 167.522 1.00 26.32 O +ATOM 4008 N LEU C 7 10.808 0.042 163.646 1.00 19.03 N +ATOM 4009 CA LEU C 7 11.057 -0.148 162.204 1.00 19.84 C +ATOM 4010 C LEU C 7 12.295 -1.014 161.913 1.00 20.80 C +ATOM 4011 O LEU C 7 12.340 -1.743 160.896 1.00 21.91 O +ATOM 4012 CB LEU C 7 11.174 1.182 161.449 1.00 19.96 C +ATOM 4013 CG LEU C 7 10.883 1.076 159.952 1.00 19.60 C +ATOM 4014 CD1 LEU C 7 9.342 0.984 159.680 1.00 10.32 C +ATOM 4015 CD2 LEU C 7 11.571 2.241 159.172 1.00 15.37 C +ATOM 4016 N SER C 8 13.255 -0.981 162.821 1.00 20.70 N +ATOM 4017 CA SER C 8 14.451 -1.804 162.716 1.00 21.62 C +ATOM 4018 C SER C 8 14.220 -3.322 162.600 1.00 22.46 C +ATOM 4019 O SER C 8 15.054 -4.024 162.057 1.00 22.99 O +ATOM 4020 CB SER C 8 15.391 -1.494 163.877 1.00 21.82 C +ATOM 4021 OG SER C 8 15.814 -0.137 163.797 1.00 23.14 O +ATOM 4022 N VAL C 9 13.079 -3.809 163.077 1.00 22.03 N +ATOM 4023 CA VAL C 9 12.688 -5.198 162.920 1.00 22.72 C +ATOM 4024 C VAL C 9 11.359 -5.421 162.135 1.00 23.79 C +ATOM 4025 O VAL C 9 10.992 -6.534 161.847 1.00 26.92 O +ATOM 4026 CB VAL C 9 12.562 -5.891 164.305 1.00 22.80 C +ATOM 4027 CG1 VAL C 9 13.861 -5.899 164.990 1.00 17.13 C +ATOM 4028 CG2 VAL C 9 11.480 -5.228 165.199 1.00 17.69 C +ATOM 4029 N SER C 10 10.663 -4.358 161.791 1.00 22.50 N +ATOM 4030 CA SER C 10 9.346 -4.439 161.203 1.00 21.58 C +ATOM 4031 C SER C 10 9.400 -4.711 159.676 1.00 22.78 C +ATOM 4032 O SER C 10 10.465 -4.739 159.065 1.00 22.05 O +ATOM 4033 CB SER C 10 8.610 -3.148 161.530 1.00 20.62 C +ATOM 4034 OG SER C 10 7.271 -3.255 161.231 1.00 24.15 O +ATOM 4035 N CYS C 11 8.240 -4.963 159.091 1.00 22.65 N +ATOM 4036 CA CYS C 11 8.096 -5.234 157.661 1.00 23.17 C +ATOM 4037 C CYS C 11 6.779 -4.622 157.203 1.00 23.32 C +ATOM 4038 O CYS C 11 5.875 -4.373 158.038 1.00 23.71 O +ATOM 4039 CB CYS C 11 8.110 -6.740 157.400 1.00 21.12 C +ATOM 4040 SG CYS C 11 6.836 -7.652 158.324 1.00 26.53 S +ATOM 4041 N LEU C 12 6.646 -4.394 155.898 1.00 23.22 N +ATOM 4042 CA LEU C 12 5.460 -3.708 155.373 1.00 23.73 C +ATOM 4043 C LEU C 12 4.165 -4.384 155.763 1.00 25.22 C +ATOM 4044 O LEU C 12 3.182 -3.723 156.062 1.00 25.42 O +ATOM 4045 CB LEU C 12 5.523 -3.558 153.849 1.00 23.89 C +ATOM 4046 CG LEU C 12 4.390 -2.828 153.139 1.00 22.94 C +ATOM 4047 CD1 LEU C 12 4.368 -1.299 153.509 1.00 23.85 C +ATOM 4048 CD2 LEU C 12 4.520 -3.012 151.640 1.00 21.92 C +ATOM 4049 N GLY C 13 4.161 -5.706 155.730 1.00 26.07 N +ATOM 4050 CA GLY C 13 2.976 -6.457 156.103 1.00 26.92 C +ATOM 4051 C GLY C 13 2.411 -6.098 157.463 1.00 28.18 C +ATOM 4052 O GLY C 13 1.202 -5.956 157.602 1.00 28.43 O +ATOM 4053 N LYS C 14 3.287 -5.931 158.453 1.00 28.82 N +ATOM 4054 CA LYS C 14 2.869 -5.644 159.824 1.00 30.09 C +ATOM 4055 C LYS C 14 2.325 -4.215 159.981 1.00 30.93 C +ATOM 4056 O LYS C 14 1.410 -3.978 160.775 1.00 34.96 O +ATOM 4057 CB LYS C 14 4.015 -5.939 160.823 1.00 28.54 C +ATOM 4058 N VAL C 15 2.829 -3.270 159.187 1.00 29.53 N +ATOM 4059 CA VAL C 15 2.529 -1.857 159.417 1.00 28.17 C +ATOM 4060 C VAL C 15 1.486 -1.295 158.459 1.00 29.25 C +ATOM 4061 O VAL C 15 0.824 -0.297 158.778 1.00 26.88 O +ATOM 4062 CB VAL C 15 3.803 -0.961 159.364 1.00 27.51 C +ATOM 4063 CG1 VAL C 15 4.867 -1.514 160.235 1.00 26.91 C +ATOM 4064 CG2 VAL C 15 4.305 -0.745 157.913 1.00 25.17 C +ATOM 4065 N LYS C 16 1.320 -1.918 157.297 1.00 30.66 N +ATOM 4066 CA LYS C 16 0.567 -1.264 156.235 1.00 34.60 C +ATOM 4067 C LYS C 16 -0.903 -0.986 156.549 1.00 34.94 C +ATOM 4068 O LYS C 16 -1.446 -0.004 156.038 1.00 35.14 O +ATOM 4069 CB LYS C 16 0.729 -1.973 154.879 1.00 34.78 C +ATOM 4070 CG LYS C 16 -0.047 -3.243 154.654 1.00 35.11 C +ATOM 4071 CD LYS C 16 -0.193 -3.464 153.141 1.00 42.56 C +ATOM 4072 CE LYS C 16 -0.991 -4.711 152.828 1.00 50.21 C +ATOM 4073 NZ LYS C 16 -0.133 -5.896 153.058 1.00 56.68 N +ATOM 4074 N GLU C 17 -1.534 -1.811 157.383 1.00 35.82 N +ATOM 4075 CA GLU C 17 -2.939 -1.588 157.712 1.00 39.78 C +ATOM 4076 C GLU C 17 -3.208 -0.862 159.056 1.00 38.69 C +ATOM 4077 O GLU C 17 -4.360 -0.758 159.479 1.00 39.41 O +ATOM 4078 CB GLU C 17 -3.707 -2.917 157.636 1.00 42.73 C +ATOM 4079 CG GLU C 17 -3.997 -3.413 156.149 1.00 50.08 C +ATOM 4080 CD GLU C 17 -4.584 -2.322 155.205 1.00 56.13 C +ATOM 4081 OE1 GLU C 17 -5.440 -1.515 155.654 1.00 61.69 O +ATOM 4082 OE2 GLU C 17 -4.197 -2.278 154.006 1.00 60.22 O +ATOM 4083 N LEU C 18 -2.164 -0.346 159.701 1.00 35.41 N +ATOM 4084 CA LEU C 18 -2.295 0.333 161.003 1.00 33.00 C +ATOM 4085 C LEU C 18 -2.121 1.843 160.877 1.00 31.71 C +ATOM 4086 O LEU C 18 -1.322 2.308 160.077 1.00 32.32 O +ATOM 4087 CB LEU C 18 -1.259 -0.213 162.013 1.00 31.98 C +ATOM 4088 CG LEU C 18 -1.174 -1.742 162.196 1.00 31.01 C +ATOM 4089 CD1 LEU C 18 0.061 -2.150 163.056 1.00 24.54 C +ATOM 4090 CD2 LEU C 18 -2.479 -2.284 162.788 1.00 29.22 C +ATOM 4091 N LYS C 19 -2.845 2.584 161.708 1.00 30.37 N +ATOM 4092 CA LYS C 19 -2.743 4.025 161.805 1.00 29.51 C +ATOM 4093 C LYS C 19 -1.607 4.409 162.750 1.00 26.96 C +ATOM 4094 O LYS C 19 -1.530 3.942 163.873 1.00 23.88 O +ATOM 4095 CB LYS C 19 -4.052 4.598 162.347 1.00 30.24 C +ATOM 4096 CG LYS C 19 -4.085 6.124 162.597 1.00 37.70 C +ATOM 4097 CD LYS C 19 -4.122 6.889 161.293 1.00 45.62 C +ATOM 4098 CE LYS C 19 -3.839 8.366 161.519 1.00 53.75 C +ATOM 4099 NZ LYS C 19 -3.993 9.150 160.254 1.00 54.40 N +ATOM 4100 N TYR C 20 -0.724 5.283 162.280 1.00 25.47 N +ATOM 4101 CA TYR C 20 0.369 5.793 163.118 1.00 24.47 C +ATOM 4102 C TYR C 20 0.152 7.288 163.363 1.00 23.91 C +ATOM 4103 O TYR C 20 -0.229 8.016 162.454 1.00 26.03 O +ATOM 4104 CB TYR C 20 1.715 5.487 162.463 1.00 22.27 C +ATOM 4105 CG TYR C 20 2.070 4.034 162.548 1.00 22.65 C +ATOM 4106 CD1 TYR C 20 1.700 3.132 161.539 1.00 19.09 C +ATOM 4107 CD2 TYR C 20 2.783 3.555 163.622 1.00 18.12 C +ATOM 4108 CE1 TYR C 20 2.026 1.778 161.632 1.00 21.31 C +ATOM 4109 CE2 TYR C 20 3.138 2.216 163.717 1.00 15.36 C +ATOM 4110 CZ TYR C 20 2.747 1.334 162.718 1.00 18.74 C +ATOM 4111 OH TYR C 20 3.069 0.018 162.844 1.00 19.47 O +ATOM 4112 N ASP C 21 0.342 7.708 164.603 1.00 24.45 N +ATOM 4113 CA ASP C 21 0.009 9.042 165.044 1.00 25.96 C +ATOM 4114 C ASP C 21 1.254 9.933 165.144 1.00 25.94 C +ATOM 4115 O ASP C 21 1.198 11.109 164.794 1.00 27.73 O +ATOM 4116 CB ASP C 21 -0.707 8.983 166.404 1.00 27.02 C +ATOM 4117 CG ASP C 21 -2.009 8.162 166.363 1.00 32.82 C +ATOM 4118 OD1 ASP C 21 -2.925 8.554 165.604 1.00 34.87 O +ATOM 4119 OD2 ASP C 21 -2.098 7.110 167.057 1.00 32.70 O +ATOM 4120 N VAL C 22 2.355 9.380 165.642 1.00 24.35 N +ATOM 4121 CA VAL C 22 3.602 10.115 165.819 1.00 22.92 C +ATOM 4122 C VAL C 22 4.776 9.267 165.363 1.00 21.28 C +ATOM 4123 O VAL C 22 4.787 8.068 165.546 1.00 19.85 O +ATOM 4124 CB VAL C 22 3.787 10.561 167.304 1.00 23.59 C +ATOM 4125 CG1 VAL C 22 4.985 11.522 167.484 1.00 20.31 C +ATOM 4126 CG2 VAL C 22 2.487 11.205 167.865 1.00 22.89 C +ATOM 4127 N ILE C 23 5.759 9.922 164.746 1.00 20.30 N +ATOM 4128 CA ILE C 23 6.997 9.284 164.298 1.00 18.48 C +ATOM 4129 C ILE C 23 8.111 9.752 165.205 1.00 17.99 C +ATOM 4130 O ILE C 23 8.204 10.930 165.514 1.00 18.45 O +ATOM 4131 CB ILE C 23 7.342 9.630 162.840 1.00 19.57 C +ATOM 4132 CG1 ILE C 23 6.181 9.306 161.889 1.00 23.46 C +ATOM 4133 CG2 ILE C 23 8.582 8.876 162.392 1.00 17.29 C +ATOM 4134 CD1 ILE C 23 5.599 7.921 162.083 1.00 23.03 C +ATOM 4135 N ILE C 24 8.919 8.797 165.655 1.00 17.95 N +ATOM 4136 CA ILE C 24 10.052 9.024 166.556 1.00 19.34 C +ATOM 4137 C ILE C 24 11.326 8.663 165.802 1.00 16.72 C +ATOM 4138 O ILE C 24 11.480 7.535 165.306 1.00 17.22 O +ATOM 4139 CB ILE C 24 9.994 8.133 167.843 1.00 18.23 C +ATOM 4140 CG1 ILE C 24 8.545 7.950 168.378 1.00 17.88 C +ATOM 4141 CG2 ILE C 24 11.009 8.626 168.888 1.00 9.55 C +ATOM 4142 CD1 ILE C 24 7.852 9.180 168.783 1.00 20.09 C +ATOM 4143 N LEU C 25 12.212 9.639 165.711 1.00 17.11 N +ATOM 4144 CA LEU C 25 13.523 9.477 165.104 1.00 17.72 C +ATOM 4145 C LEU C 25 14.646 9.527 166.142 1.00 17.60 C +ATOM 4146 O LEU C 25 15.015 10.609 166.617 1.00 18.65 O +ATOM 4147 CB LEU C 25 13.734 10.568 164.051 1.00 18.90 C +ATOM 4148 CG LEU C 25 15.018 10.532 163.192 1.00 16.15 C +ATOM 4149 CD1 LEU C 25 15.094 9.222 162.365 1.00 9.40 C +ATOM 4150 CD2 LEU C 25 15.032 11.806 162.318 1.00 15.52 C +ATOM 4151 N PRO C 26 15.205 8.365 166.485 1.00 18.11 N +ATOM 4152 CA PRO C 26 16.389 8.396 167.310 1.00 18.29 C +ATOM 4153 C PRO C 26 17.604 8.892 166.505 1.00 18.88 C +ATOM 4154 O PRO C 26 17.821 8.479 165.356 1.00 18.50 O +ATOM 4155 CB PRO C 26 16.569 6.937 167.744 1.00 17.54 C +ATOM 4156 CG PRO C 26 15.351 6.216 167.263 1.00 20.15 C +ATOM 4157 CD PRO C 26 14.835 6.990 166.123 1.00 18.39 C +ATOM 4158 N TRP C 27 18.367 9.804 167.089 1.00 18.81 N +ATOM 4159 CA TRP C 27 19.521 10.357 166.417 1.00 17.25 C +ATOM 4160 C TRP C 27 20.711 10.279 167.359 1.00 16.71 C +ATOM 4161 O TRP C 27 20.712 10.891 168.432 1.00 17.23 O +ATOM 4162 CB TRP C 27 19.230 11.794 165.981 1.00 16.66 C +ATOM 4163 CG TRP C 27 20.147 12.281 164.862 1.00 17.14 C +ATOM 4164 CD1 TRP C 27 21.501 12.150 164.802 1.00 16.97 C +ATOM 4165 CD2 TRP C 27 19.759 12.940 163.645 1.00 14.86 C +ATOM 4166 NE1 TRP C 27 21.989 12.716 163.652 1.00 16.41 N +ATOM 4167 CE2 TRP C 27 20.941 13.216 162.924 1.00 16.29 C +ATOM 4168 CE3 TRP C 27 18.541 13.362 163.120 1.00 17.76 C +ATOM 4169 CZ2 TRP C 27 20.933 13.879 161.692 1.00 18.37 C +ATOM 4170 CZ3 TRP C 27 18.530 14.011 161.874 1.00 15.93 C +ATOM 4171 CH2 TRP C 27 19.705 14.262 161.182 1.00 17.93 C +ATOM 4172 N GLY C 28 21.717 9.515 166.965 1.00 16.05 N +ATOM 4173 CA GLY C 28 22.831 9.248 167.808 1.00 16.63 C +ATOM 4174 C GLY C 28 24.137 9.787 167.208 1.00 16.99 C +ATOM 4175 O GLY C 28 24.199 10.922 166.788 1.00 16.36 O +ATOM 4176 N ALA C 29 25.164 8.947 167.230 1.00 17.32 N +ATOM 4177 CA ALA C 29 26.523 9.298 166.879 1.00 17.14 C +ATOM 4178 C ALA C 29 27.289 7.988 166.814 1.00 17.70 C +ATOM 4179 O ALA C 29 26.893 7.013 167.450 1.00 18.18 O +ATOM 4180 CB ALA C 29 27.161 10.245 167.939 1.00 14.25 C +ATOM 4181 N THR C 30 28.361 7.984 166.027 1.00 18.68 N +ATOM 4182 CA THR C 30 29.350 6.933 166.013 1.00 18.62 C +ATOM 4183 C THR C 30 30.587 7.507 166.729 1.00 19.92 C +ATOM 4184 O THR C 30 31.346 8.300 166.164 1.00 19.05 O +ATOM 4185 CB THR C 30 29.622 6.452 164.550 1.00 19.40 C +ATOM 4186 OG1 THR C 30 28.398 6.014 163.950 1.00 20.42 O +ATOM 4187 CG2 THR C 30 30.554 5.324 164.510 1.00 15.55 C +ATOM 4188 N GLU C 31 30.770 7.099 167.987 1.00 20.12 N +ATOM 4189 CA GLU C 31 31.639 7.814 168.907 1.00 20.42 C +ATOM 4190 C GLU C 31 32.220 6.895 169.979 1.00 20.95 C +ATOM 4191 O GLU C 31 31.469 6.143 170.607 1.00 21.73 O +ATOM 4192 CB GLU C 31 30.794 8.893 169.566 1.00 18.78 C +ATOM 4193 CG GLU C 31 31.525 9.852 170.441 1.00 21.78 C +ATOM 4194 CD GLU C 31 30.572 10.772 171.173 1.00 23.99 C +ATOM 4195 OE1 GLU C 31 29.440 10.325 171.394 1.00 22.12 O +ATOM 4196 OE2 GLU C 31 30.957 11.887 171.561 1.00 23.75 O +ATOM 4197 N PRO C 32 33.547 6.945 170.208 1.00 22.46 N +ATOM 4198 CA PRO C 32 34.154 6.260 171.356 1.00 22.45 C +ATOM 4199 C PRO C 32 33.533 6.747 172.680 1.00 21.48 C +ATOM 4200 O PRO C 32 33.347 7.947 172.854 1.00 20.31 O +ATOM 4201 CB PRO C 32 35.624 6.687 171.278 1.00 22.67 C +ATOM 4202 CG PRO C 32 35.831 7.057 169.886 1.00 23.41 C +ATOM 4203 CD PRO C 32 34.563 7.638 169.407 1.00 21.27 C +ATOM 4204 N HIS C 33 33.193 5.797 173.547 1.00 20.39 N +ATOM 4205 CA HIS C 33 32.578 6.036 174.845 1.00 19.90 C +ATOM 4206 C HIS C 33 33.436 5.398 175.959 1.00 20.34 C +ATOM 4207 O HIS C 33 33.152 4.292 176.385 1.00 18.73 O +ATOM 4208 CB HIS C 33 31.155 5.433 174.865 1.00 21.35 C +ATOM 4209 CG HIS C 33 30.091 6.360 174.344 1.00 18.54 C +ATOM 4210 ND1 HIS C 33 29.916 6.625 173.005 1.00 16.46 N +ATOM 4211 CD2 HIS C 33 29.149 7.080 174.994 1.00 20.89 C +ATOM 4212 CE1 HIS C 33 28.926 7.482 172.854 1.00 21.41 C +ATOM 4213 NE2 HIS C 33 28.445 7.778 174.047 1.00 20.36 N +ATOM 4214 N ASN C 34 34.483 6.090 176.406 1.00 21.49 N +ATOM 4215 CA ASN C 34 35.463 5.523 177.337 1.00 22.11 C +ATOM 4216 C ASN C 34 35.907 4.234 176.653 1.00 23.33 C +ATOM 4217 O ASN C 34 35.766 4.113 175.441 1.00 24.01 O +ATOM 4218 CB ASN C 34 34.790 5.358 178.724 1.00 19.80 C +ATOM 4219 CG ASN C 34 35.768 5.093 179.903 1.00 22.56 C +ATOM 4220 OD1 ASN C 34 36.699 4.287 179.792 1.00 20.34 O +ATOM 4221 ND2 ASN C 34 35.478 5.712 181.083 1.00 20.57 N +ATOM 4222 N LEU C 35 36.419 3.267 177.404 1.00 23.96 N +ATOM 4223 CA LEU C 35 36.969 2.042 176.845 1.00 23.01 C +ATOM 4224 C LEU C 35 35.932 0.938 176.746 1.00 22.19 C +ATOM 4225 O LEU C 35 36.102 -0.027 176.017 1.00 24.32 O +ATOM 4226 CB LEU C 35 38.137 1.566 177.724 1.00 22.57 C +ATOM 4227 CG LEU C 35 39.308 2.550 177.872 1.00 26.02 C +ATOM 4228 CD1 LEU C 35 40.330 2.010 178.882 1.00 21.75 C +ATOM 4229 CD2 LEU C 35 39.971 2.871 176.499 1.00 20.84 C +ATOM 4230 N HIS C 36 34.830 1.097 177.449 1.00 22.39 N +ATOM 4231 CA HIS C 36 33.943 -0.020 177.736 1.00 21.96 C +ATOM 4232 C HIS C 36 32.596 0.034 177.046 1.00 22.28 C +ATOM 4233 O HIS C 36 31.948 -0.994 176.922 1.00 22.90 O +ATOM 4234 CB HIS C 36 33.711 -0.115 179.261 1.00 22.17 C +ATOM 4235 CG HIS C 36 33.012 1.075 179.841 1.00 19.38 C +ATOM 4236 ND1 HIS C 36 33.481 2.363 179.693 1.00 17.15 N +ATOM 4237 CD2 HIS C 36 31.853 1.174 180.531 1.00 17.29 C +ATOM 4238 CE1 HIS C 36 32.635 3.201 180.260 1.00 19.50 C +ATOM 4239 NE2 HIS C 36 31.649 2.503 180.792 1.00 16.91 N +ATOM 4240 N LEU C 37 32.141 1.211 176.639 1.00 21.13 N +ATOM 4241 CA LEU C 37 30.805 1.320 176.058 1.00 20.42 C +ATOM 4242 C LEU C 37 30.874 1.229 174.523 1.00 20.15 C +ATOM 4243 O LEU C 37 31.905 1.582 173.928 1.00 19.72 O +ATOM 4244 CB LEU C 37 30.096 2.608 176.530 1.00 20.77 C +ATOM 4245 CG LEU C 37 29.500 2.665 177.938 1.00 18.95 C +ATOM 4246 CD1 LEU C 37 29.015 4.099 178.262 1.00 14.65 C +ATOM 4247 CD2 LEU C 37 28.376 1.660 178.098 1.00 20.28 C +ATOM 4248 N PRO C 38 29.788 0.727 173.876 1.00 20.88 N +ATOM 4249 CA PRO C 38 29.732 0.693 172.401 1.00 21.10 C +ATOM 4250 C PRO C 38 29.875 2.044 171.671 1.00 19.77 C +ATOM 4251 O PRO C 38 29.429 3.103 172.141 1.00 18.71 O +ATOM 4252 CB PRO C 38 28.345 0.083 172.086 1.00 21.27 C +ATOM 4253 CG PRO C 38 27.885 -0.541 173.313 1.00 20.84 C +ATOM 4254 CD PRO C 38 28.588 0.123 174.475 1.00 21.19 C +ATOM 4255 N TYR C 39 30.474 1.970 170.493 1.00 19.38 N +ATOM 4256 CA TYR C 39 30.513 3.091 169.565 1.00 18.76 C +ATOM 4257 C TYR C 39 29.106 3.624 169.217 1.00 18.07 C +ATOM 4258 O TYR C 39 28.943 4.800 168.934 1.00 17.81 O +ATOM 4259 CB TYR C 39 31.254 2.678 168.280 1.00 17.73 C +ATOM 4260 CG TYR C 39 32.747 2.816 168.328 1.00 17.68 C +ATOM 4261 CD1 TYR C 39 33.551 1.819 168.884 1.00 17.86 C +ATOM 4262 CD2 TYR C 39 33.360 3.926 167.781 1.00 17.96 C +ATOM 4263 CE1 TYR C 39 34.961 1.943 168.897 1.00 19.53 C +ATOM 4264 CE2 TYR C 39 34.736 4.072 167.783 1.00 20.76 C +ATOM 4265 CZ TYR C 39 35.551 3.076 168.332 1.00 22.63 C +ATOM 4266 OH TYR C 39 36.923 3.263 168.319 1.00 19.37 O +ATOM 4267 N LEU C 40 28.103 2.749 169.216 1.00 18.13 N +ATOM 4268 CA LEU C 40 26.743 3.159 168.864 1.00 17.27 C +ATOM 4269 C LEU C 40 25.822 3.437 170.077 1.00 17.86 C +ATOM 4270 O LEU C 40 24.604 3.502 169.923 1.00 18.37 O +ATOM 4271 CB LEU C 40 26.122 2.132 167.925 1.00 15.69 C +ATOM 4272 CG LEU C 40 26.688 2.013 166.522 1.00 19.82 C +ATOM 4273 CD1 LEU C 40 25.869 1.027 165.682 1.00 17.50 C +ATOM 4274 CD2 LEU C 40 26.726 3.409 165.864 1.00 20.09 C +ATOM 4275 N THR C 41 26.408 3.647 171.258 1.00 18.88 N +ATOM 4276 CA THR C 41 25.664 3.975 172.480 1.00 18.29 C +ATOM 4277 C THR C 41 24.588 5.024 172.269 1.00 18.81 C +ATOM 4278 O THR C 41 23.458 4.867 172.759 1.00 17.69 O +ATOM 4279 CB THR C 41 26.603 4.481 173.624 1.00 18.11 C +ATOM 4280 OG1 THR C 41 27.410 3.397 174.076 1.00 16.17 O +ATOM 4281 CG2 THR C 41 25.787 4.996 174.804 1.00 13.91 C +ATOM 4282 N ASP C 42 24.939 6.091 171.554 1.00 18.75 N +ATOM 4283 CA ASP C 42 24.019 7.224 171.341 1.00 18.06 C +ATOM 4284 C ASP C 42 22.895 6.932 170.387 1.00 18.22 C +ATOM 4285 O ASP C 42 21.925 7.656 170.379 1.00 18.02 O +ATOM 4286 CB ASP C 42 24.759 8.478 170.860 1.00 20.03 C +ATOM 4287 CG ASP C 42 25.667 9.008 171.886 1.00 18.14 C +ATOM 4288 OD1 ASP C 42 25.629 8.459 173.004 1.00 17.04 O +ATOM 4289 OD2 ASP C 42 26.391 9.986 171.608 1.00 20.47 O +ATOM 4290 N CYS C 43 23.025 5.867 169.604 1.00 18.29 N +ATOM 4291 CA CYS C 43 21.924 5.341 168.799 1.00 20.17 C +ATOM 4292 C CYS C 43 21.057 4.340 169.595 1.00 19.06 C +ATOM 4293 O CYS C 43 19.852 4.417 169.602 1.00 18.76 O +ATOM 4294 CB CYS C 43 22.469 4.612 167.560 1.00 20.51 C +ATOM 4295 SG CYS C 43 23.219 5.677 166.339 1.00 21.93 S +ATOM 4296 N ILE C 44 21.719 3.409 170.243 1.00 18.54 N +ATOM 4297 CA ILE C 44 21.075 2.324 170.990 1.00 19.03 C +ATOM 4298 C ILE C 44 20.186 2.847 172.127 1.00 19.73 C +ATOM 4299 O ILE C 44 19.025 2.442 172.237 1.00 20.27 O +ATOM 4300 CB ILE C 44 22.115 1.366 171.600 1.00 18.39 C +ATOM 4301 CG1 ILE C 44 22.906 0.653 170.493 1.00 20.54 C +ATOM 4302 CG2 ILE C 44 21.401 0.355 172.527 1.00 20.43 C +ATOM 4303 CD1 ILE C 44 24.250 0.104 170.895 1.00 16.77 C +ATOM 4304 N LEU C 45 20.708 3.749 172.958 1.00 18.87 N +ATOM 4305 CA LEU C 45 19.941 4.189 174.123 1.00 18.73 C +ATOM 4306 C LEU C 45 18.632 4.899 173.770 1.00 18.46 C +ATOM 4307 O LEU C 45 17.578 4.483 174.250 1.00 18.38 O +ATOM 4308 CB LEU C 45 20.786 4.984 175.113 1.00 16.42 C +ATOM 4309 CG LEU C 45 21.969 4.212 175.711 1.00 17.43 C +ATOM 4310 CD1 LEU C 45 22.697 5.036 176.775 1.00 17.47 C +ATOM 4311 CD2 LEU C 45 21.535 2.843 176.294 1.00 16.59 C +ATOM 4312 N PRO C 46 18.680 5.962 172.945 1.00 18.78 N +ATOM 4313 CA PRO C 46 17.400 6.558 172.587 1.00 18.51 C +ATOM 4314 C PRO C 46 16.467 5.633 171.797 1.00 18.42 C +ATOM 4315 O PRO C 46 15.245 5.775 171.913 1.00 20.96 O +ATOM 4316 CB PRO C 46 17.789 7.788 171.748 1.00 18.12 C +ATOM 4317 CG PRO C 46 19.165 7.519 171.269 1.00 16.69 C +ATOM 4318 CD PRO C 46 19.812 6.645 172.294 1.00 18.41 C +ATOM 4319 N HIS C 47 17.019 4.712 171.000 1.00 19.69 N +ATOM 4320 CA HIS C 47 16.205 3.733 170.323 1.00 20.84 C +ATOM 4321 C HIS C 47 15.405 2.881 171.302 1.00 19.43 C +ATOM 4322 O HIS C 47 14.187 2.689 171.165 1.00 18.86 O +ATOM 4323 CB HIS C 47 17.063 2.825 169.442 1.00 21.08 C +ATOM 4324 CG HIS C 47 16.275 1.738 168.781 1.00 21.56 C +ATOM 4325 ND1 HIS C 47 16.093 0.495 169.358 1.00 25.62 N +ATOM 4326 CD2 HIS C 47 15.556 1.730 167.633 1.00 23.86 C +ATOM 4327 CE1 HIS C 47 15.342 -0.245 168.566 1.00 22.52 C +ATOM 4328 NE2 HIS C 47 15.013 0.479 167.508 1.00 24.55 N +ATOM 4329 N ASP C 48 16.093 2.369 172.299 1.00 20.87 N +ATOM 4330 CA ASP C 48 15.461 1.465 173.287 1.00 21.41 C +ATOM 4331 C ASP C 48 14.454 2.187 174.174 1.00 20.70 C +ATOM 4332 O ASP C 48 13.368 1.661 174.437 1.00 20.97 O +ATOM 4333 CB ASP C 48 16.534 0.694 174.077 1.00 19.94 C +ATOM 4334 CG ASP C 48 17.224 -0.387 173.229 1.00 24.58 C +ATOM 4335 OD1 ASP C 48 16.903 -0.567 172.011 1.00 31.03 O +ATOM 4336 OD2 ASP C 48 18.103 -1.077 173.778 1.00 29.36 O +ATOM 4337 N ILE C 49 14.793 3.417 174.561 1.00 19.82 N +ATOM 4338 CA ILE C 49 13.889 4.270 175.337 1.00 18.56 C +ATOM 4339 C ILE C 49 12.631 4.627 174.541 1.00 19.59 C +ATOM 4340 O ILE C 49 11.530 4.529 175.048 1.00 19.84 O +ATOM 4341 CB ILE C 49 14.612 5.593 175.816 1.00 18.19 C +ATOM 4342 CG1 ILE C 49 15.669 5.243 176.871 1.00 16.82 C +ATOM 4343 CG2 ILE C 49 13.580 6.644 176.293 1.00 18.05 C +ATOM 4344 CD1 ILE C 49 16.636 6.330 177.268 1.00 18.05 C +ATOM 4345 N ALA C 50 12.808 5.014 173.276 1.00 19.92 N +ATOM 4346 CA ALA C 50 11.685 5.340 172.405 1.00 19.29 C +ATOM 4347 C ALA C 50 10.753 4.149 172.206 1.00 19.29 C +ATOM 4348 O ALA C 50 9.530 4.289 172.287 1.00 19.95 O +ATOM 4349 CB ALA C 50 12.188 5.890 171.068 1.00 15.56 C +ATOM 4350 N VAL C 51 11.316 2.960 171.975 1.00 19.80 N +ATOM 4351 CA VAL C 51 10.500 1.764 171.757 1.00 20.44 C +ATOM 4352 C VAL C 51 9.651 1.480 173.020 1.00 20.70 C +ATOM 4353 O VAL C 51 8.439 1.267 172.933 1.00 21.20 O +ATOM 4354 CB VAL C 51 11.359 0.566 171.302 1.00 21.47 C +ATOM 4355 CG1 VAL C 51 10.567 -0.783 171.378 1.00 16.20 C +ATOM 4356 CG2 VAL C 51 11.917 0.839 169.900 1.00 17.16 C +ATOM 4357 N GLU C 52 10.266 1.551 174.184 1.00 21.62 N +ATOM 4358 CA AGLU C 52 9.543 1.307 175.428 0.50 22.63 C +ATOM 4359 CA BGLU C 52 9.557 1.314 175.444 0.50 23.27 C +ATOM 4360 C GLU C 52 8.471 2.370 175.653 1.00 21.75 C +ATOM 4361 O GLU C 52 7.342 2.044 176.007 1.00 22.26 O +ATOM 4362 CB AGLU C 52 10.510 1.215 176.604 0.50 22.49 C +ATOM 4363 CB BGLU C 52 10.528 1.293 176.630 0.50 23.23 C +ATOM 4364 CG AGLU C 52 11.225 -0.135 176.668 0.50 23.17 C +ATOM 4365 CG BGLU C 52 9.997 0.468 177.814 0.50 28.06 C +ATOM 4366 CD AGLU C 52 11.836 -0.432 178.033 0.50 24.24 C +ATOM 4367 CD BGLU C 52 10.830 0.595 179.085 0.50 25.39 C +ATOM 4368 OE1AGLU C 52 12.234 0.518 178.750 0.50 31.54 O +ATOM 4369 OE1BGLU C 52 12.068 0.787 178.999 0.50 35.12 O +ATOM 4370 OE2AGLU C 52 11.945 -1.630 178.371 0.50 35.27 O +ATOM 4371 OE2BGLU C 52 10.229 0.500 180.175 0.50 26.52 O +ATOM 4372 N ALA C 53 8.821 3.638 175.409 1.00 20.60 N +ATOM 4373 CA ALA C 53 7.856 4.721 175.486 1.00 19.19 C +ATOM 4374 C ALA C 53 6.688 4.503 174.501 1.00 19.98 C +ATOM 4375 O ALA C 53 5.517 4.700 174.857 1.00 20.72 O +ATOM 4376 CB ALA C 53 8.552 6.099 175.268 1.00 17.69 C +ATOM 4377 N ALA C 54 6.985 4.075 173.273 1.00 20.13 N +ATOM 4378 CA ALA C 54 5.924 3.823 172.267 1.00 21.00 C +ATOM 4379 C ALA C 54 4.997 2.686 172.674 1.00 20.62 C +ATOM 4380 O ALA C 54 3.775 2.761 172.473 1.00 21.82 O +ATOM 4381 CB ALA C 54 6.519 3.576 170.863 1.00 17.10 C +ATOM 4382 N GLU C 55 5.584 1.630 173.215 1.00 22.25 N +ATOM 4383 CA GLU C 55 4.833 0.498 173.778 1.00 24.17 C +ATOM 4384 C GLU C 55 3.892 0.897 174.934 1.00 24.00 C +ATOM 4385 O GLU C 55 2.733 0.439 174.998 1.00 23.35 O +ATOM 4386 CB GLU C 55 5.796 -0.586 174.254 1.00 24.86 C +ATOM 4387 CG GLU C 55 6.510 -1.305 173.140 1.00 24.35 C +ATOM 4388 CD GLU C 55 7.523 -2.341 173.632 1.00 28.42 C +ATOM 4389 OE1 GLU C 55 8.132 -2.158 174.725 1.00 37.71 O +ATOM 4390 OE2 GLU C 55 7.716 -3.341 172.918 1.00 31.24 O +ATOM 4391 N LEU C 56 4.390 1.753 175.826 1.00 23.68 N +ATOM 4392 CA LEU C 56 3.577 2.274 176.924 1.00 23.33 C +ATOM 4393 C LEU C 56 2.435 3.164 176.399 1.00 24.72 C +ATOM 4394 O LEU C 56 1.276 2.977 176.783 1.00 25.44 O +ATOM 4395 CB LEU C 56 4.450 3.000 177.966 1.00 24.88 C +ATOM 4396 CG LEU C 56 3.713 3.721 179.096 1.00 23.97 C +ATOM 4397 CD1 LEU C 56 2.803 2.771 179.859 1.00 22.66 C +ATOM 4398 CD2 LEU C 56 4.705 4.359 180.022 1.00 20.40 C +ATOM 4399 N ALA C 57 2.730 4.082 175.489 1.00 24.11 N +ATOM 4400 CA ALA C 57 1.682 4.917 174.908 1.00 23.95 C +ATOM 4401 C ALA C 57 0.574 4.107 174.196 1.00 24.87 C +ATOM 4402 O ALA C 57 -0.623 4.470 174.256 1.00 25.61 O +ATOM 4403 CB ALA C 57 2.291 5.972 173.968 1.00 23.37 C +ATOM 4404 N LEU C 58 0.981 3.028 173.525 1.00 25.19 N +ATOM 4405 CA LEU C 58 0.067 2.139 172.827 1.00 25.80 C +ATOM 4406 C LEU C 58 -0.805 1.392 173.846 1.00 27.07 C +ATOM 4407 O LEU C 58 -2.016 1.460 173.758 1.00 26.89 O +ATOM 4408 CB LEU C 58 0.802 1.135 171.929 1.00 25.27 C +ATOM 4409 CG LEU C 58 -0.031 0.218 171.002 1.00 25.41 C +ATOM 4410 CD1 LEU C 58 -0.977 1.012 170.075 1.00 20.89 C +ATOM 4411 CD2 LEU C 58 0.862 -0.734 170.162 1.00 26.43 C +ATOM 4412 N SER C 59 -0.184 0.714 174.810 1.00 27.81 N +ATOM 4413 CA SER C 59 -0.943 -0.080 175.793 1.00 31.32 C +ATOM 4414 C SER C 59 -1.891 0.785 176.639 1.00 32.13 C +ATOM 4415 O SER C 59 -3.034 0.393 176.889 1.00 34.26 O +ATOM 4416 CB SER C 59 -0.018 -0.868 176.715 1.00 29.81 C +ATOM 4417 OG SER C 59 0.641 -0.011 177.612 1.00 38.71 O +ATOM 4418 N ARG C 60 -1.407 1.966 177.020 1.00 31.84 N +ATOM 4419 CA ARG C 60 -2.072 2.856 177.965 1.00 32.34 C +ATOM 4420 C ARG C 60 -3.163 3.720 177.327 1.00 31.76 C +ATOM 4421 O ARG C 60 -4.176 3.957 177.953 1.00 32.79 O +ATOM 4422 CB ARG C 60 -1.004 3.739 178.647 1.00 32.16 C +ATOM 4423 CG ARG C 60 -1.528 4.810 179.546 1.00 35.44 C +ATOM 4424 CD ARG C 60 -0.455 5.375 180.450 1.00 35.00 C +ATOM 4425 NE ARG C 60 0.345 6.396 179.781 1.00 36.24 N +ATOM 4426 CZ ARG C 60 1.399 6.986 180.322 1.00 32.55 C +ATOM 4427 NH1 ARG C 60 1.787 6.655 181.543 1.00 35.04 N +ATOM 4428 NH2 ARG C 60 2.056 7.912 179.647 1.00 36.35 N +ATOM 4429 N SER C 61 -2.944 4.192 176.098 1.00 30.81 N +ATOM 4430 CA SER C 61 -3.833 5.175 175.459 1.00 29.94 C +ATOM 4431 C SER C 61 -4.313 4.782 174.049 1.00 29.38 C +ATOM 4432 O SER C 61 -5.186 5.466 173.494 1.00 29.15 O +ATOM 4433 CB SER C 61 -3.155 6.547 175.358 1.00 31.52 C +ATOM 4434 OG SER C 61 -2.788 7.070 176.624 1.00 36.09 O +ATOM 4435 N GLY C 62 -3.757 3.717 173.468 1.00 28.12 N +ATOM 4436 CA GLY C 62 -4.041 3.385 172.069 1.00 28.37 C +ATOM 4437 C GLY C 62 -3.417 4.325 171.047 1.00 28.15 C +ATOM 4438 O GLY C 62 -3.789 4.297 169.888 1.00 29.86 O +ATOM 4439 N VAL C 63 -2.458 5.143 171.470 1.00 27.47 N +ATOM 4440 CA VAL C 63 -1.696 5.986 170.564 1.00 25.82 C +ATOM 4441 C VAL C 63 -0.537 5.144 169.997 1.00 24.84 C +ATOM 4442 O VAL C 63 0.260 4.618 170.752 1.00 24.00 O +ATOM 4443 CB VAL C 63 -1.169 7.237 171.303 1.00 26.45 C +ATOM 4444 CG1 VAL C 63 -0.109 7.984 170.487 1.00 21.66 C +ATOM 4445 CG2 VAL C 63 -2.325 8.141 171.693 1.00 21.47 C +ATOM 4446 N ARG C 64 -0.479 5.012 168.670 1.00 24.14 N +ATOM 4447 CA ARG C 64 0.540 4.200 168.001 1.00 23.78 C +ATOM 4448 C ARG C 64 1.617 5.063 167.332 1.00 22.86 C +ATOM 4449 O ARG C 64 1.341 5.900 166.467 1.00 22.16 O +ATOM 4450 CB ARG C 64 -0.072 3.259 166.979 1.00 22.08 C +ATOM 4451 CG ARG C 64 0.932 2.183 166.471 1.00 24.08 C +ATOM 4452 CD ARG C 64 0.345 1.320 165.337 1.00 25.31 C +ATOM 4453 NE ARG C 64 -0.663 0.392 165.854 1.00 25.28 N +ATOM 4454 CZ ARG C 64 -1.989 0.559 165.832 1.00 29.18 C +ATOM 4455 NH1 ARG C 64 -2.575 1.588 165.256 1.00 31.70 N +ATOM 4456 NH2 ARG C 64 -2.755 -0.357 166.374 1.00 32.17 N +ATOM 4457 N CYS C 65 2.849 4.815 167.737 1.00 22.70 N +ATOM 4458 CA CYS C 65 4.001 5.556 167.244 1.00 23.34 C +ATOM 4459 C CYS C 65 4.991 4.591 166.595 1.00 22.86 C +ATOM 4460 O CYS C 65 5.101 3.455 167.046 1.00 23.68 O +ATOM 4461 CB CYS C 65 4.655 6.270 168.421 1.00 24.61 C +ATOM 4462 SG CYS C 65 3.498 7.350 169.334 1.00 25.50 S +HETATM 4463 N MSE C 66 5.696 5.055 165.544 1.00 20.87 N +HETATM 4464 CA MSE C 66 6.759 4.288 164.890 1.00 18.79 C +HETATM 4465 C MSE C 66 8.123 4.877 165.218 1.00 19.02 C +HETATM 4466 O MSE C 66 8.360 6.079 165.014 1.00 18.29 O +HETATM 4467 CB MSE C 66 6.572 4.269 163.377 1.00 20.19 C +HETATM 4468 CG MSE C 66 7.655 3.519 162.608 1.00 17.57 C +HETATM 4469 SE MSE C 66 7.768 1.676 163.259 0.75 14.45 SE +HETATM 4470 CE MSE C 66 6.243 1.046 162.104 1.00 14.97 C +ATOM 4471 N VAL C 67 9.000 4.022 165.746 1.00 18.67 N +ATOM 4472 CA VAL C 67 10.369 4.388 166.043 1.00 17.86 C +ATOM 4473 C VAL C 67 11.231 4.028 164.842 1.00 18.60 C +ATOM 4474 O VAL C 67 11.447 2.870 164.539 1.00 18.43 O +ATOM 4475 CB VAL C 67 10.894 3.723 167.337 1.00 16.71 C +ATOM 4476 CG1 VAL C 67 12.346 4.233 167.715 1.00 12.66 C +ATOM 4477 CG2 VAL C 67 9.953 3.974 168.448 1.00 14.49 C +HETATM 4478 N MSE C 68 11.716 5.057 164.163 1.00 18.27 N +HETATM 4479 CA MSE C 68 12.532 4.884 162.964 1.00 18.08 C +HETATM 4480 C MSE C 68 13.909 4.334 163.320 1.00 18.87 C +HETATM 4481 O MSE C 68 14.259 4.279 164.483 1.00 18.91 O +HETATM 4482 CB MSE C 68 12.705 6.235 162.268 1.00 19.44 C +HETATM 4483 CG MSE C 68 11.442 6.878 161.797 1.00 17.42 C +HETATM 4484 SE MSE C 68 10.474 5.835 160.429 0.75 25.38 SE +HETATM 4485 CE MSE C 68 11.736 6.108 158.783 1.00 16.14 C +ATOM 4486 N PRO C 69 14.675 3.873 162.322 1.00 19.33 N +ATOM 4487 CA PRO C 69 16.009 3.440 162.668 1.00 21.64 C +ATOM 4488 C PRO C 69 16.879 4.626 163.085 1.00 21.89 C +ATOM 4489 O PRO C 69 16.732 5.718 162.557 1.00 20.46 O +ATOM 4490 CB PRO C 69 16.526 2.765 161.375 1.00 22.32 C +ATOM 4491 CG PRO C 69 15.324 2.583 160.536 1.00 20.64 C +ATOM 4492 CD PRO C 69 14.386 3.659 160.901 1.00 19.62 C +ATOM 4493 N PRO C 70 17.789 4.397 164.023 1.00 22.24 N +ATOM 4494 CA PRO C 70 18.605 5.502 164.483 1.00 21.95 C +ATOM 4495 C PRO C 70 19.573 6.077 163.447 1.00 21.48 C +ATOM 4496 O PRO C 70 20.144 5.350 162.650 1.00 22.81 O +ATOM 4497 CB PRO C 70 19.362 4.918 165.671 1.00 22.20 C +ATOM 4498 CG PRO C 70 18.812 3.559 165.903 1.00 20.70 C +ATOM 4499 CD PRO C 70 18.082 3.138 164.724 1.00 24.11 C +ATOM 4500 N VAL C 71 19.778 7.379 163.511 1.00 20.60 N +ATOM 4501 CA VAL C 71 20.725 8.051 162.633 1.00 18.39 C +ATOM 4502 C VAL C 71 22.086 8.005 163.347 1.00 17.26 C +ATOM 4503 O VAL C 71 22.213 8.547 164.416 1.00 17.24 O +ATOM 4504 CB VAL C 71 20.296 9.501 162.319 1.00 17.89 C +ATOM 4505 CG1 VAL C 71 21.193 10.092 161.235 1.00 14.39 C +ATOM 4506 CG2 VAL C 71 18.839 9.579 161.873 1.00 13.79 C +ATOM 4507 N PRO C 72 23.092 7.324 162.777 1.00 16.48 N +ATOM 4508 CA PRO C 72 24.401 7.260 163.455 1.00 17.73 C +ATOM 4509 C PRO C 72 25.389 8.379 163.164 1.00 18.22 C +ATOM 4510 O PRO C 72 26.607 8.154 163.292 1.00 21.60 O +ATOM 4511 CB PRO C 72 24.988 5.935 162.954 1.00 17.14 C +ATOM 4512 CG PRO C 72 24.424 5.796 161.549 1.00 22.02 C +ATOM 4513 CD PRO C 72 23.070 6.547 161.530 1.00 17.12 C +ATOM 4514 N PHE C 73 24.901 9.568 162.815 1.00 17.38 N +ATOM 4515 CA PHE C 73 25.774 10.643 162.295 1.00 17.16 C +ATOM 4516 C PHE C 73 25.679 11.860 163.213 1.00 17.54 C +ATOM 4517 O PHE C 73 24.791 12.674 163.067 1.00 17.52 O +ATOM 4518 CB PHE C 73 25.383 11.000 160.851 1.00 17.79 C +ATOM 4519 CG PHE C 73 25.614 9.879 159.880 1.00 20.08 C +ATOM 4520 CD1 PHE C 73 26.893 9.447 159.597 1.00 22.41 C +ATOM 4521 CD2 PHE C 73 24.557 9.231 159.285 1.00 19.34 C +ATOM 4522 CE1 PHE C 73 27.098 8.359 158.753 1.00 24.26 C +ATOM 4523 CE2 PHE C 73 24.760 8.161 158.442 1.00 18.19 C +ATOM 4524 CZ PHE C 73 26.010 7.732 158.166 1.00 18.76 C +ATOM 4525 N GLY C 74 26.598 11.957 164.168 1.00 17.95 N +ATOM 4526 CA GLY C 74 26.576 13.026 165.153 1.00 17.31 C +ATOM 4527 C GLY C 74 27.613 14.089 164.857 1.00 16.90 C +ATOM 4528 O GLY C 74 28.469 13.896 164.018 1.00 16.21 O +ATOM 4529 N ALA C 75 27.473 15.234 165.521 1.00 16.66 N +ATOM 4530 CA ALA C 75 28.417 16.365 165.454 1.00 17.05 C +ATOM 4531 C ALA C 75 29.403 16.249 166.600 1.00 18.20 C +ATOM 4532 O ALA C 75 28.996 16.130 167.786 1.00 20.44 O +ATOM 4533 CB ALA C 75 27.675 17.691 165.578 1.00 15.17 C +ATOM 4534 N HIS C 76 30.691 16.294 166.282 1.00 19.52 N +ATOM 4535 CA HIS C 76 31.733 16.023 167.280 1.00 19.26 C +ATOM 4536 C HIS C 76 32.716 17.187 167.465 1.00 20.68 C +ATOM 4537 O HIS C 76 32.621 18.224 166.787 1.00 19.60 O +ATOM 4538 CB HIS C 76 32.413 14.696 166.948 1.00 19.80 C +ATOM 4539 CG HIS C 76 31.491 13.522 167.066 1.00 18.80 C +ATOM 4540 ND1 HIS C 76 31.053 13.048 168.278 1.00 20.50 N +ATOM 4541 CD2 HIS C 76 30.877 12.765 166.125 1.00 22.25 C +ATOM 4542 CE1 HIS C 76 30.237 12.025 168.078 1.00 23.80 C +ATOM 4543 NE2 HIS C 76 30.120 11.827 166.779 1.00 19.64 N +ATOM 4544 N ASN C 77 33.626 17.004 168.427 1.00 20.55 N +ATOM 4545 CA ASN C 77 34.451 18.059 168.970 1.00 20.82 C +ATOM 4546 C ASN C 77 35.878 17.876 168.529 1.00 21.86 C +ATOM 4547 O ASN C 77 36.290 16.782 168.179 1.00 21.85 O +ATOM 4548 CB ASN C 77 34.453 18.005 170.500 1.00 20.59 C +ATOM 4549 CG ASN C 77 33.184 18.573 171.137 1.00 22.43 C +ATOM 4550 OD1 ASN C 77 32.060 18.358 170.676 1.00 24.12 O +ATOM 4551 ND2 ASN C 77 33.380 19.307 172.220 1.00 19.04 N +ATOM 4552 N PRO C 78 36.662 18.956 168.594 1.00 23.37 N +ATOM 4553 CA PRO C 78 38.072 18.835 168.321 1.00 23.17 C +ATOM 4554 C PRO C 78 38.661 17.727 169.159 1.00 23.14 C +ATOM 4555 O PRO C 78 38.237 17.547 170.326 1.00 22.78 O +ATOM 4556 CB PRO C 78 38.619 20.187 168.745 1.00 23.27 C +ATOM 4557 CG PRO C 78 37.529 21.111 168.516 1.00 25.25 C +ATOM 4558 CD PRO C 78 36.291 20.341 168.933 1.00 23.78 C +ATOM 4559 N GLY C 79 39.569 16.966 168.540 1.00 22.01 N +ATOM 4560 CA GLY C 79 40.224 15.825 169.167 1.00 23.65 C +ATOM 4561 C GLY C 79 39.514 14.494 169.107 1.00 23.59 C +ATOM 4562 O GLY C 79 40.124 13.465 169.379 1.00 26.12 O +ATOM 4563 N GLN C 80 38.235 14.488 168.754 1.00 23.47 N +ATOM 4564 CA GLN C 80 37.471 13.246 168.642 1.00 23.68 C +ATOM 4565 C GLN C 80 37.579 12.590 167.267 1.00 24.28 C +ATOM 4566 O GLN C 80 37.499 11.383 167.138 1.00 24.18 O +ATOM 4567 CB GLN C 80 35.997 13.508 168.888 1.00 23.37 C +ATOM 4568 CG GLN C 80 35.619 13.863 170.266 1.00 21.51 C +ATOM 4569 CD GLN C 80 34.121 13.751 170.481 1.00 25.86 C +ATOM 4570 OE1 GLN C 80 33.325 14.615 170.037 1.00 24.44 O +ATOM 4571 NE2 GLN C 80 33.715 12.657 171.139 1.00 26.41 N +ATOM 4572 N ARG C 81 37.673 13.416 166.244 1.00 24.33 N +ATOM 4573 CA ARG C 81 37.701 12.966 164.852 1.00 26.49 C +ATOM 4574 C ARG C 81 38.960 12.139 164.558 1.00 26.16 C +ATOM 4575 O ARG C 81 38.942 11.319 163.666 1.00 27.32 O +ATOM 4576 CB ARG C 81 37.584 14.182 163.916 1.00 26.60 C +ATOM 4577 CG ARG C 81 37.328 13.887 162.461 1.00 29.54 C +ATOM 4578 CD ARG C 81 37.253 15.141 161.591 1.00 26.74 C +ATOM 4579 NE ARG C 81 38.477 15.945 161.612 1.00 33.97 N +ATOM 4580 CZ ARG C 81 38.811 16.864 160.689 1.00 35.81 C +ATOM 4581 NH1 ARG C 81 38.060 17.085 159.618 1.00 29.60 N +ATOM 4582 NH2 ARG C 81 39.927 17.559 160.817 1.00 36.46 N +ATOM 4583 N GLU C 82 40.012 12.323 165.352 1.00 26.77 N +ATOM 4584 CA GLU C 82 41.238 11.530 165.244 1.00 29.68 C +ATOM 4585 C GLU C 82 41.179 10.186 165.961 1.00 26.92 C +ATOM 4586 O GLU C 82 42.034 9.346 165.739 1.00 26.25 O +ATOM 4587 CB GLU C 82 42.455 12.337 165.727 1.00 31.02 C +ATOM 4588 CG GLU C 82 42.587 12.547 167.270 1.00 36.92 C +ATOM 4589 CD GLU C 82 43.635 13.620 167.662 1.00 39.00 C +ATOM 4590 OE1 GLU C 82 43.593 14.750 167.107 1.00 55.19 O +ATOM 4591 OE2 GLU C 82 44.484 13.347 168.552 1.00 50.76 O +ATOM 4592 N LEU C 83 40.170 9.968 166.802 1.00 25.03 N +ATOM 4593 CA LEU C 83 39.993 8.679 167.450 1.00 24.17 C +ATOM 4594 C LEU C 83 39.442 7.641 166.439 1.00 23.47 C +ATOM 4595 O LEU C 83 38.502 7.940 165.702 1.00 21.38 O +ATOM 4596 CB LEU C 83 39.049 8.831 168.655 1.00 23.15 C +ATOM 4597 CG LEU C 83 39.500 9.803 169.760 1.00 26.94 C +ATOM 4598 CD1 LEU C 83 38.401 10.091 170.739 1.00 20.14 C +ATOM 4599 CD2 LEU C 83 40.742 9.292 170.482 1.00 27.34 C +ATOM 4600 N PRO C 84 39.994 6.411 166.430 1.00 23.19 N +ATOM 4601 CA PRO C 84 39.592 5.464 165.384 1.00 22.61 C +ATOM 4602 C PRO C 84 38.086 5.237 165.317 1.00 21.71 C +ATOM 4603 O PRO C 84 37.445 4.929 166.344 1.00 20.74 O +ATOM 4604 CB PRO C 84 40.327 4.153 165.736 1.00 22.67 C +ATOM 4605 CG PRO C 84 40.911 4.330 167.122 1.00 25.45 C +ATOM 4606 CD PRO C 84 40.976 5.837 167.371 1.00 25.16 C +ATOM 4607 N PHE C 85 37.553 5.393 164.093 1.00 21.38 N +ATOM 4608 CA PHE C 85 36.126 5.145 163.761 1.00 21.00 C +ATOM 4609 C PHE C 85 35.096 6.146 164.314 1.00 20.79 C +ATOM 4610 O PHE C 85 33.922 5.922 164.196 1.00 22.25 O +ATOM 4611 CB PHE C 85 35.698 3.696 164.071 1.00 20.20 C +ATOM 4612 CG PHE C 85 36.754 2.692 163.769 1.00 21.50 C +ATOM 4613 CD1 PHE C 85 37.289 2.602 162.497 1.00 21.43 C +ATOM 4614 CD2 PHE C 85 37.287 1.895 164.782 1.00 21.76 C +ATOM 4615 CE1 PHE C 85 38.278 1.715 162.216 1.00 21.84 C +ATOM 4616 CE2 PHE C 85 38.309 1.002 164.508 1.00 26.07 C +ATOM 4617 CZ PHE C 85 38.797 0.903 163.220 1.00 22.86 C +ATOM 4618 N CYS C 86 35.539 7.256 164.880 1.00 21.28 N +ATOM 4619 CA CYS C 86 34.642 8.347 165.234 1.00 21.09 C +ATOM 4620 C CYS C 86 34.299 9.134 163.973 1.00 21.30 C +ATOM 4621 O CYS C 86 35.207 9.591 163.302 1.00 22.64 O +ATOM 4622 CB CYS C 86 35.339 9.251 166.240 1.00 21.84 C +ATOM 4623 SG CYS C 86 34.301 10.600 166.748 1.00 22.72 S +ATOM 4624 N ILE C 87 33.009 9.271 163.627 1.00 19.16 N +ATOM 4625 CA ILE C 87 32.619 9.964 162.377 1.00 19.57 C +ATOM 4626 C ILE C 87 31.965 11.321 162.675 1.00 18.79 C +ATOM 4627 O ILE C 87 30.838 11.384 163.180 1.00 18.81 O +ATOM 4628 CB ILE C 87 31.674 9.117 161.459 1.00 20.01 C +ATOM 4629 CG1 ILE C 87 32.276 7.747 161.110 1.00 23.47 C +ATOM 4630 CG2 ILE C 87 31.433 9.840 160.162 1.00 16.72 C +ATOM 4631 CD1 ILE C 87 33.780 7.807 160.569 1.00 15.74 C +ATOM 4632 N HIS C 88 32.685 12.410 162.380 1.00 18.75 N +ATOM 4633 CA HIS C 88 32.145 13.763 162.525 1.00 18.03 C +ATOM 4634 C HIS C 88 31.235 14.127 161.367 1.00 17.21 C +ATOM 4635 O HIS C 88 31.655 14.089 160.212 1.00 17.45 O +ATOM 4636 CB HIS C 88 33.244 14.832 162.584 1.00 18.17 C +ATOM 4637 CG HIS C 88 32.699 16.228 162.525 1.00 16.61 C +ATOM 4638 ND1 HIS C 88 31.903 16.754 163.519 1.00 16.89 N +ATOM 4639 CD2 HIS C 88 32.781 17.181 161.569 1.00 19.48 C +ATOM 4640 CE1 HIS C 88 31.575 17.994 163.204 1.00 20.36 C +ATOM 4641 NE2 HIS C 88 32.080 18.271 162.013 1.00 15.60 N +ATOM 4642 N THR C 89 30.001 14.519 161.675 1.00 17.44 N +ATOM 4643 CA THR C 89 29.031 14.911 160.666 1.00 16.85 C +ATOM 4644 C THR C 89 28.893 16.435 160.650 1.00 16.98 C +ATOM 4645 O THR C 89 28.608 17.053 161.675 1.00 17.54 O +ATOM 4646 CB THR C 89 27.686 14.238 160.955 1.00 18.00 C +ATOM 4647 OG1 THR C 89 27.923 12.834 161.149 1.00 16.07 O +ATOM 4648 CG2 THR C 89 26.697 14.399 159.761 1.00 14.59 C +ATOM 4649 N ARG C 90 29.061 17.059 159.483 1.00 15.13 N +ATOM 4650 CA ARG C 90 28.780 18.496 159.362 1.00 15.59 C +ATOM 4651 C ARG C 90 27.321 18.805 159.578 1.00 16.85 C +ATOM 4652 O ARG C 90 26.454 17.965 159.289 1.00 16.10 O +ATOM 4653 CB ARG C 90 29.195 19.007 157.984 1.00 17.63 C +ATOM 4654 CG ARG C 90 30.698 19.211 157.812 1.00 13.59 C +ATOM 4655 CD ARG C 90 31.106 19.411 156.359 1.00 20.29 C +ATOM 4656 NE ARG C 90 30.786 18.249 155.503 1.00 22.28 N +ATOM 4657 CZ ARG C 90 30.735 18.256 154.163 1.00 28.76 C +ATOM 4658 NH1 ARG C 90 30.990 19.372 153.459 1.00 30.22 N +ATOM 4659 NH2 ARG C 90 30.444 17.134 153.508 1.00 22.87 N +ATOM 4660 N TYR C 91 27.039 20.013 160.088 1.00 17.59 N +ATOM 4661 CA TYR C 91 25.684 20.451 160.345 1.00 17.16 C +ATOM 4662 C TYR C 91 24.886 20.342 159.058 1.00 15.62 C +ATOM 4663 O TYR C 91 23.747 19.948 159.094 1.00 17.03 O +ATOM 4664 CB TYR C 91 25.620 21.933 160.828 1.00 18.66 C +ATOM 4665 CG TYR C 91 24.255 22.366 161.369 1.00 19.65 C +ATOM 4666 CD1 TYR C 91 23.227 22.827 160.525 1.00 22.88 C +ATOM 4667 CD2 TYR C 91 23.994 22.315 162.721 1.00 23.25 C +ATOM 4668 CE1 TYR C 91 21.982 23.227 161.057 1.00 20.47 C +ATOM 4669 CE2 TYR C 91 22.786 22.692 163.244 1.00 23.05 C +ATOM 4670 CZ TYR C 91 21.779 23.155 162.421 1.00 24.90 C +ATOM 4671 OH TYR C 91 20.580 23.509 163.039 1.00 29.20 O +ATOM 4672 N ALA C 92 25.466 20.794 157.947 1.00 16.22 N +ATOM 4673 CA ALA C 92 24.782 20.759 156.657 1.00 15.79 C +ATOM 4674 C ALA C 92 24.422 19.341 156.231 1.00 15.38 C +ATOM 4675 O ALA C 92 23.406 19.143 155.561 1.00 15.11 O +ATOM 4676 CB ALA C 92 25.617 21.470 155.548 1.00 15.01 C +ATOM 4677 N THR C 93 25.271 18.379 156.578 1.00 15.28 N +ATOM 4678 CA THR C 93 25.021 16.973 156.261 1.00 14.49 C +ATOM 4679 C THR C 93 23.835 16.502 157.098 1.00 16.24 C +ATOM 4680 O THR C 93 22.914 15.868 156.579 1.00 15.88 O +ATOM 4681 CB THR C 93 26.245 16.109 156.498 1.00 17.41 C +ATOM 4682 OG1 THR C 93 27.331 16.631 155.712 1.00 14.73 O +ATOM 4683 CG2 THR C 93 25.965 14.553 156.118 1.00 13.19 C +ATOM 4684 N GLN C 94 23.821 16.836 158.383 1.00 16.74 N +ATOM 4685 CA GLN C 94 22.683 16.457 159.225 1.00 16.12 C +ATOM 4686 C GLN C 94 21.396 17.075 158.718 1.00 15.66 C +ATOM 4687 O GLN C 94 20.372 16.395 158.642 1.00 15.92 O +ATOM 4688 CB GLN C 94 22.935 16.867 160.670 1.00 17.63 C +ATOM 4689 CG GLN C 94 24.153 16.169 161.309 1.00 19.62 C +ATOM 4690 CD GLN C 94 24.335 16.582 162.757 1.00 17.68 C +ATOM 4691 OE1 GLN C 94 24.304 17.767 163.079 1.00 17.31 O +ATOM 4692 NE2 GLN C 94 24.527 15.599 163.634 1.00 18.41 N +ATOM 4693 N GLN C 95 21.448 18.351 158.318 1.00 16.85 N +ATOM 4694 CA GLN C 95 20.269 19.032 157.804 1.00 16.76 C +ATOM 4695 C GLN C 95 19.739 18.372 156.527 1.00 15.56 C +ATOM 4696 O GLN C 95 18.527 18.240 156.346 1.00 16.33 O +ATOM 4697 CB GLN C 95 20.561 20.510 157.581 1.00 15.66 C +ATOM 4698 CG GLN C 95 19.286 21.326 157.177 1.00 21.39 C +ATOM 4699 CD GLN C 95 19.576 22.797 156.826 1.00 26.29 C +ATOM 4700 OE1 GLN C 95 20.342 23.481 157.501 1.00 31.78 O +ATOM 4701 NE2 GLN C 95 18.976 23.262 155.738 1.00 39.70 N +ATOM 4702 N ALA C 96 20.644 17.986 155.628 1.00 15.65 N +ATOM 4703 CA ALA C 96 20.260 17.272 154.414 1.00 15.45 C +ATOM 4704 C ALA C 96 19.554 15.937 154.760 1.00 16.50 C +ATOM 4705 O ALA C 96 18.544 15.569 154.144 1.00 14.33 O +ATOM 4706 CB ALA C 96 21.480 17.079 153.502 1.00 15.03 C +ATOM 4707 N ILE C 97 20.039 15.244 155.791 1.00 15.93 N +ATOM 4708 CA ILE C 97 19.432 13.997 156.228 1.00 15.06 C +ATOM 4709 C ILE C 97 18.024 14.245 156.721 1.00 15.77 C +ATOM 4710 O ILE C 97 17.075 13.576 156.274 1.00 16.12 O +ATOM 4711 CB ILE C 97 20.322 13.247 157.303 1.00 15.81 C +ATOM 4712 CG1 ILE C 97 21.574 12.657 156.664 1.00 16.81 C +ATOM 4713 CG2 ILE C 97 19.534 12.112 158.011 1.00 17.42 C +ATOM 4714 CD1 ILE C 97 22.706 12.300 157.694 1.00 13.36 C +ATOM 4715 N LEU C 98 17.861 15.223 157.613 1.00 16.56 N +ATOM 4716 CA LEU C 98 16.547 15.526 158.222 1.00 16.42 C +ATOM 4717 C LEU C 98 15.520 15.989 157.166 1.00 17.18 C +ATOM 4718 O LEU C 98 14.379 15.589 157.218 1.00 17.39 O +ATOM 4719 CB LEU C 98 16.663 16.578 159.347 1.00 15.21 C +ATOM 4720 CG LEU C 98 15.366 16.908 160.138 1.00 14.49 C +ATOM 4721 CD1 LEU C 98 14.727 15.626 160.700 1.00 14.07 C +ATOM 4722 CD2 LEU C 98 15.547 17.966 161.262 1.00 13.10 C +ATOM 4723 N GLU C 99 15.961 16.837 156.235 1.00 17.82 N +ATOM 4724 CA GLU C 99 15.190 17.260 155.083 1.00 17.92 C +ATOM 4725 C GLU C 99 14.666 16.076 154.247 1.00 17.69 C +ATOM 4726 O GLU C 99 13.512 16.063 153.852 1.00 17.22 O +ATOM 4727 CB GLU C 99 16.048 18.156 154.179 1.00 17.14 C +ATOM 4728 CG GLU C 99 16.154 19.606 154.616 1.00 20.54 C +ATOM 4729 CD GLU C 99 17.185 20.452 153.802 1.00 21.01 C +ATOM 4730 OE1 GLU C 99 17.821 19.952 152.865 1.00 23.17 O +ATOM 4731 OE2 GLU C 99 17.352 21.641 154.111 1.00 25.57 O +ATOM 4732 N ASP C 100 15.526 15.109 153.957 1.00 16.15 N +ATOM 4733 CA ASP C 100 15.117 13.900 153.235 1.00 17.17 C +ATOM 4734 C ASP C 100 14.090 13.046 153.985 1.00 17.64 C +ATOM 4735 O ASP C 100 13.100 12.617 153.394 1.00 18.06 O +ATOM 4736 CB ASP C 100 16.355 13.069 152.842 1.00 16.61 C +ATOM 4737 CG ASP C 100 17.189 13.748 151.722 1.00 18.58 C +ATOM 4738 OD1 ASP C 100 16.707 14.761 151.183 1.00 24.63 O +ATOM 4739 OD2 ASP C 100 18.279 13.264 151.360 1.00 18.77 O +ATOM 4740 N ILE C 101 14.338 12.825 155.280 1.00 17.64 N +ATOM 4741 CA ILE C 101 13.418 12.107 156.183 1.00 15.92 C +ATOM 4742 C ILE C 101 12.078 12.837 156.256 1.00 16.92 C +ATOM 4743 O ILE C 101 11.050 12.212 156.056 1.00 17.47 O +ATOM 4744 CB ILE C 101 13.978 11.923 157.610 1.00 15.95 C +ATOM 4745 CG1 ILE C 101 15.240 11.054 157.607 1.00 16.06 C +ATOM 4746 CG2 ILE C 101 12.918 11.324 158.559 1.00 14.03 C +ATOM 4747 CD1 ILE C 101 16.026 11.101 158.904 1.00 15.10 C +ATOM 4748 N VAL C 102 12.086 14.158 156.458 1.00 17.53 N +ATOM 4749 CA VAL C 102 10.842 14.909 156.553 1.00 17.05 C +ATOM 4750 C VAL C 102 10.070 14.930 155.227 1.00 17.95 C +ATOM 4751 O VAL C 102 8.846 14.769 155.212 1.00 18.49 O +ATOM 4752 CB VAL C 102 11.087 16.332 157.128 1.00 20.36 C +ATOM 4753 CG1 VAL C 102 9.811 17.238 156.988 1.00 16.77 C +ATOM 4754 CG2 VAL C 102 11.539 16.210 158.593 1.00 15.07 C +ATOM 4755 N SER C 103 10.779 15.083 154.117 1.00 16.97 N +ATOM 4756 CA SER C 103 10.142 15.120 152.811 1.00 15.55 C +ATOM 4757 C SER C 103 9.393 13.784 152.550 1.00 18.29 C +ATOM 4758 O SER C 103 8.230 13.768 152.129 1.00 19.24 O +ATOM 4759 CB SER C 103 11.182 15.440 151.712 1.00 15.84 C +ATOM 4760 OG SER C 103 10.649 15.255 150.404 1.00 23.39 O +ATOM 4761 N SER C 104 10.029 12.669 152.880 1.00 18.15 N +ATOM 4762 CA SER C 104 9.410 11.343 152.689 1.00 18.13 C +ATOM 4763 C SER C 104 8.205 11.150 153.620 1.00 17.26 C +ATOM 4764 O SER C 104 7.123 10.824 153.162 1.00 17.46 O +ATOM 4765 CB SER C 104 10.448 10.237 152.873 1.00 18.06 C +ATOM 4766 OG SER C 104 11.389 10.287 151.811 1.00 20.02 O +ATOM 4767 N LEU C 105 8.389 11.428 154.909 1.00 17.49 N +ATOM 4768 CA LEU C 105 7.297 11.304 155.895 1.00 17.65 C +ATOM 4769 C LEU C 105 6.092 12.191 155.570 1.00 18.48 C +ATOM 4770 O LEU C 105 4.966 11.749 155.695 1.00 18.68 O +ATOM 4771 CB LEU C 105 7.796 11.575 157.305 1.00 15.17 C +ATOM 4772 CG LEU C 105 8.813 10.612 157.947 1.00 16.34 C +ATOM 4773 CD1 LEU C 105 9.233 11.192 159.325 1.00 13.57 C +ATOM 4774 CD2 LEU C 105 8.315 9.174 158.104 1.00 17.44 C +ATOM 4775 N HIS C 106 6.339 13.420 155.122 1.00 19.37 N +ATOM 4776 CA HIS C 106 5.275 14.324 154.712 1.00 21.40 C +ATOM 4777 C HIS C 106 4.438 13.781 153.537 1.00 21.18 C +ATOM 4778 O HIS C 106 3.205 13.825 153.586 1.00 22.64 O +ATOM 4779 CB HIS C 106 5.815 15.720 154.404 1.00 21.82 C +ATOM 4780 CG HIS C 106 4.738 16.744 154.257 1.00 23.26 C +ATOM 4781 ND1 HIS C 106 3.973 16.853 153.116 1.00 25.62 N +ATOM 4782 CD2 HIS C 106 4.272 17.681 155.116 1.00 23.79 C +ATOM 4783 CE1 HIS C 106 3.095 17.822 153.272 1.00 25.32 C +ATOM 4784 NE2 HIS C 106 3.256 18.343 154.475 1.00 24.91 N +ATOM 4785 N VAL C 107 5.113 13.247 152.526 1.00 21.16 N +ATOM 4786 CA VAL C 107 4.477 12.608 151.398 1.00 22.39 C +ATOM 4787 C VAL C 107 3.638 11.408 151.811 1.00 22.38 C +ATOM 4788 O VAL C 107 2.626 11.172 151.203 1.00 22.39 O +ATOM 4789 CB VAL C 107 5.514 12.150 150.325 1.00 23.36 C +ATOM 4790 CG1 VAL C 107 4.853 11.199 149.353 1.00 27.94 C +ATOM 4791 CG2 VAL C 107 6.101 13.373 149.614 1.00 24.21 C +ATOM 4792 N GLN C 108 4.067 10.695 152.857 1.00 21.69 N +ATOM 4793 CA GLN C 108 3.347 9.534 153.381 1.00 21.76 C +ATOM 4794 C GLN C 108 2.113 9.883 154.225 1.00 22.98 C +ATOM 4795 O GLN C 108 1.327 9.002 154.563 1.00 23.41 O +ATOM 4796 CB GLN C 108 4.305 8.661 154.204 1.00 21.73 C +ATOM 4797 CG GLN C 108 5.421 8.069 153.374 1.00 18.43 C +ATOM 4798 CD GLN C 108 6.631 7.728 154.161 1.00 17.35 C +ATOM 4799 OE1 GLN C 108 6.553 7.475 155.356 1.00 18.66 O +ATOM 4800 NE2 GLN C 108 7.774 7.672 153.486 1.00 15.02 N +ATOM 4801 N GLY C 109 1.982 11.160 154.565 1.00 22.47 N +ATOM 4802 CA GLY C 109 0.828 11.699 155.277 1.00 21.85 C +ATOM 4803 C GLY C 109 1.082 12.008 156.747 1.00 21.83 C +ATOM 4804 O GLY C 109 0.171 12.400 157.471 1.00 21.41 O +ATOM 4805 N PHE C 110 2.303 11.791 157.212 1.00 20.81 N +ATOM 4806 CA PHE C 110 2.619 12.040 158.613 1.00 19.25 C +ATOM 4807 C PHE C 110 2.839 13.516 158.819 1.00 20.08 C +ATOM 4808 O PHE C 110 3.266 14.229 157.912 1.00 20.98 O +ATOM 4809 CB PHE C 110 3.799 11.182 159.064 1.00 20.00 C +ATOM 4810 CG PHE C 110 3.549 9.716 158.877 1.00 20.20 C +ATOM 4811 CD1 PHE C 110 2.527 9.080 159.577 1.00 22.84 C +ATOM 4812 CD2 PHE C 110 4.315 8.958 157.987 1.00 19.86 C +ATOM 4813 CE1 PHE C 110 2.284 7.719 159.383 1.00 20.23 C +ATOM 4814 CE2 PHE C 110 4.060 7.597 157.798 1.00 18.22 C +ATOM 4815 CZ PHE C 110 3.057 6.994 158.480 1.00 20.14 C +ATOM 4816 N ARG C 111 2.492 13.979 160.008 1.00 19.92 N +ATOM 4817 CA ARG C 111 2.504 15.395 160.327 1.00 21.36 C +ATOM 4818 C ARG C 111 3.134 15.688 161.720 1.00 20.74 C +ATOM 4819 O ARG C 111 3.142 16.831 162.181 1.00 20.78 O +ATOM 4820 CB ARG C 111 1.064 15.914 160.270 1.00 21.53 C +ATOM 4821 CG ARG C 111 0.350 15.817 158.886 1.00 20.57 C +ATOM 4822 CD ARG C 111 0.987 16.785 157.943 1.00 22.29 C +ATOM 4823 NE ARG C 111 0.412 16.831 156.587 1.00 28.35 N +ATOM 4824 CZ ARG C 111 0.806 16.080 155.563 1.00 23.29 C +ATOM 4825 NH1 ARG C 111 1.746 15.163 155.695 1.00 20.37 N +ATOM 4826 NH2 ARG C 111 0.264 16.260 154.391 1.00 22.98 N +ATOM 4827 N LYS C 112 3.650 14.661 162.383 1.00 19.83 N +ATOM 4828 CA LYS C 112 4.226 14.793 163.726 1.00 20.20 C +ATOM 4829 C LYS C 112 5.460 13.932 163.880 1.00 19.32 C +ATOM 4830 O LYS C 112 5.382 12.719 163.738 1.00 19.18 O +ATOM 4831 CB LYS C 112 3.206 14.365 164.780 1.00 21.52 C +ATOM 4832 CG LYS C 112 2.093 15.400 164.957 1.00 25.89 C +ATOM 4833 CD LYS C 112 0.828 14.802 165.450 1.00 34.28 C +ATOM 4834 CE LYS C 112 -0.268 15.878 165.486 1.00 40.21 C +ATOM 4835 NZ LYS C 112 -1.556 15.281 165.912 1.00 43.65 N +ATOM 4836 N LEU C 113 6.575 14.570 164.210 1.00 18.75 N +ATOM 4837 CA LEU C 113 7.854 13.930 164.392 1.00 18.22 C +ATOM 4838 C LEU C 113 8.459 14.392 165.707 1.00 17.46 C +ATOM 4839 O LEU C 113 8.395 15.572 166.028 1.00 19.10 O +ATOM 4840 CB LEU C 113 8.778 14.291 163.220 1.00 15.27 C +ATOM 4841 CG LEU C 113 10.208 13.760 163.228 1.00 11.94 C +ATOM 4842 CD1 LEU C 113 10.339 12.169 163.066 1.00 12.22 C +ATOM 4843 CD2 LEU C 113 10.984 14.486 162.158 1.00 17.85 C +ATOM 4844 N LEU C 114 8.994 13.463 166.474 1.00 17.52 N +ATOM 4845 CA LEU C 114 9.933 13.778 167.569 1.00 17.27 C +ATOM 4846 C LEU C 114 11.306 13.218 167.240 1.00 17.34 C +ATOM 4847 O LEU C 114 11.441 12.020 167.030 1.00 17.74 O +ATOM 4848 CB LEU C 114 9.467 13.176 168.902 1.00 15.72 C +ATOM 4849 CG LEU C 114 10.505 13.265 170.040 1.00 18.14 C +ATOM 4850 CD1 LEU C 114 10.678 14.715 170.522 1.00 15.81 C +ATOM 4851 CD2 LEU C 114 10.189 12.302 171.167 1.00 13.13 C +ATOM 4852 N ILE C 115 12.322 14.103 167.250 1.00 17.61 N +ATOM 4853 CA ILE C 115 13.725 13.700 167.208 1.00 17.28 C +ATOM 4854 C ILE C 115 14.202 13.402 168.634 1.00 18.23 C +ATOM 4855 O ILE C 115 14.212 14.283 169.502 1.00 18.11 O +ATOM 4856 CB ILE C 115 14.637 14.773 166.553 1.00 15.24 C +ATOM 4857 CG1 ILE C 115 14.061 15.216 165.218 1.00 15.77 C +ATOM 4858 CG2 ILE C 115 16.046 14.246 166.361 1.00 14.55 C +ATOM 4859 CD1 ILE C 115 14.739 16.343 164.551 1.00 13.39 C +ATOM 4860 N LEU C 116 14.570 12.149 168.894 1.00 17.51 N +ATOM 4861 CA LEU C 116 15.093 11.801 170.219 1.00 16.95 C +ATOM 4862 C LEU C 116 16.607 11.583 170.068 1.00 17.89 C +ATOM 4863 O LEU C 116 17.074 10.564 169.528 1.00 17.39 O +ATOM 4864 CB LEU C 116 14.404 10.580 170.836 1.00 17.98 C +ATOM 4865 CG LEU C 116 14.670 10.325 172.322 1.00 17.96 C +ATOM 4866 CD1 LEU C 116 14.197 11.491 173.191 1.00 13.40 C +ATOM 4867 CD2 LEU C 116 14.020 8.993 172.749 1.00 16.32 C +ATOM 4868 N SER C 117 17.347 12.577 170.541 1.00 17.60 N +ATOM 4869 CA SER C 117 18.770 12.564 170.467 1.00 18.61 C +ATOM 4870 C SER C 117 19.428 11.847 171.639 1.00 20.07 C +ATOM 4871 O SER C 117 18.969 11.933 172.765 1.00 20.52 O +ATOM 4872 CB SER C 117 19.316 13.991 170.364 1.00 16.43 C +ATOM 4873 OG SER C 117 20.723 13.949 170.150 1.00 20.96 O +ATOM 4874 N GLY C 118 20.493 11.115 171.323 1.00 20.81 N +ATOM 4875 CA GLY C 118 21.332 10.437 172.292 1.00 20.65 C +ATOM 4876 C GLY C 118 22.674 11.099 172.422 1.00 20.14 C +ATOM 4877 O GLY C 118 23.479 10.623 173.201 1.00 21.03 O +ATOM 4878 N HIS C 119 22.904 12.197 171.676 1.00 19.59 N +ATOM 4879 CA HIS C 119 24.203 12.837 171.638 1.00 20.98 C +ATOM 4880 C HIS C 119 24.023 14.347 171.799 1.00 22.56 C +ATOM 4881 O HIS C 119 23.322 14.992 171.015 1.00 23.67 O +ATOM 4882 CB HIS C 119 24.928 12.440 170.343 1.00 21.11 C +ATOM 4883 CG HIS C 119 26.180 13.204 170.065 1.00 17.97 C +ATOM 4884 ND1 HIS C 119 27.285 13.161 170.879 1.00 21.57 N +ATOM 4885 CD2 HIS C 119 26.497 14.045 169.053 1.00 22.45 C +ATOM 4886 CE1 HIS C 119 28.232 13.932 170.380 1.00 22.92 C +ATOM 4887 NE2 HIS C 119 27.776 14.487 169.271 1.00 18.57 N +ATOM 4888 N GLY C 120 24.667 14.893 172.836 1.00 22.87 N +ATOM 4889 CA GLY C 120 24.529 16.278 173.222 1.00 22.95 C +ATOM 4890 C GLY C 120 25.093 17.249 172.216 1.00 23.57 C +ATOM 4891 O GLY C 120 24.658 18.419 172.158 1.00 24.40 O +ATOM 4892 N GLY C 121 26.060 16.769 171.423 1.00 23.65 N +ATOM 4893 CA GLY C 121 26.691 17.571 170.385 1.00 22.61 C +ATOM 4894 C GLY C 121 25.807 17.814 169.169 1.00 22.80 C +ATOM 4895 O GLY C 121 26.109 18.670 168.347 1.00 22.96 O +ATOM 4896 N ASN C 122 24.695 17.064 169.072 1.00 23.02 N +ATOM 4897 CA ASN C 122 23.646 17.309 168.091 1.00 21.47 C +ATOM 4898 C ASN C 122 22.720 18.449 168.567 1.00 22.42 C +ATOM 4899 O ASN C 122 22.267 18.489 169.727 1.00 21.62 O +ATOM 4900 CB ASN C 122 22.804 16.049 167.852 1.00 21.62 C +ATOM 4901 CG ASN C 122 23.583 14.921 167.268 1.00 19.69 C +ATOM 4902 OD1 ASN C 122 24.547 15.122 166.559 1.00 22.13 O +ATOM 4903 ND2 ASN C 122 23.169 13.720 167.561 1.00 15.54 N +ATOM 4904 N ASN C 123 22.430 19.350 167.633 1.00 21.38 N +ATOM 4905 CA ASN C 123 21.615 20.510 167.858 1.00 22.56 C +ATOM 4906 C ASN C 123 20.684 20.669 166.671 1.00 20.95 C +ATOM 4907 O ASN C 123 21.162 20.794 165.558 1.00 21.63 O +ATOM 4908 CB ASN C 123 22.530 21.733 168.011 1.00 25.47 C +ATOM 4909 CG ASN C 123 23.175 21.801 169.404 1.00 30.39 C +ATOM 4910 OD1 ASN C 123 22.480 22.036 170.394 1.00 38.74 O +ATOM 4911 ND2 ASN C 123 24.500 21.579 169.485 1.00 31.48 N +ATOM 4912 N PHE C 124 19.370 20.653 166.909 1.00 20.19 N +ATOM 4913 CA PHE C 124 18.360 20.607 165.835 1.00 19.23 C +ATOM 4914 C PHE C 124 17.443 21.817 165.769 1.00 19.11 C +ATOM 4915 O PHE C 124 16.551 21.853 164.919 1.00 19.23 O +ATOM 4916 CB PHE C 124 17.459 19.377 166.023 1.00 19.45 C +ATOM 4917 CG PHE C 124 18.192 18.088 165.993 1.00 18.90 C +ATOM 4918 CD1 PHE C 124 18.569 17.529 164.787 1.00 17.31 C +ATOM 4919 CD2 PHE C 124 18.531 17.444 167.162 1.00 17.13 C +ATOM 4920 CE1 PHE C 124 19.285 16.390 164.740 1.00 17.45 C +ATOM 4921 CE2 PHE C 124 19.230 16.270 167.125 1.00 14.26 C +ATOM 4922 CZ PHE C 124 19.627 15.749 165.915 1.00 20.02 C +ATOM 4923 N LYS C 125 17.642 22.807 166.641 1.00 19.24 N +ATOM 4924 CA LYS C 125 16.713 23.951 166.715 1.00 18.87 C +ATOM 4925 C LYS C 125 16.666 24.737 165.433 1.00 18.69 C +ATOM 4926 O LYS C 125 15.563 25.087 164.943 1.00 20.34 O +ATOM 4927 CB LYS C 125 17.068 24.885 167.885 1.00 17.43 C +ATOM 4928 CG LYS C 125 16.861 24.210 169.229 1.00 17.34 C +ATOM 4929 CD LYS C 125 17.091 25.160 170.363 1.00 20.71 C +ATOM 4930 CE LYS C 125 16.855 24.483 171.704 1.00 26.50 C +ATOM 4931 NZ LYS C 125 16.733 25.489 172.801 1.00 32.52 N +ATOM 4932 N GLY C 126 17.846 25.008 164.882 1.00 17.82 N +ATOM 4933 CA GLY C 126 17.969 25.710 163.599 1.00 18.44 C +ATOM 4934 C GLY C 126 17.284 24.981 162.439 1.00 19.34 C +ATOM 4935 O GLY C 126 16.558 25.590 161.667 1.00 17.37 O +HETATM 4936 N MSE C 127 17.546 23.673 162.326 1.00 19.66 N +HETATM 4937 CA MSE C 127 16.941 22.815 161.302 1.00 19.23 C +HETATM 4938 C MSE C 127 15.439 22.787 161.427 1.00 18.05 C +HETATM 4939 O MSE C 127 14.715 22.812 160.433 1.00 17.29 O +HETATM 4940 CB MSE C 127 17.433 21.377 161.458 1.00 17.87 C +HETATM 4941 CG MSE C 127 18.868 21.180 161.213 1.00 23.44 C +HETATM 4942 SE MSE C 127 19.381 19.326 161.440 0.75 16.46 SE +HETATM 4943 CE MSE C 127 21.173 19.617 162.098 1.00 14.20 C +ATOM 4944 N ILE C 128 14.971 22.693 162.661 1.00 18.41 N +ATOM 4945 CA ILE C 128 13.523 22.733 162.948 1.00 18.39 C +ATOM 4946 C ILE C 128 12.920 24.094 162.545 1.00 18.27 C +ATOM 4947 O ILE C 128 11.837 24.143 161.920 1.00 18.19 O +ATOM 4948 CB ILE C 128 13.234 22.360 164.441 1.00 17.44 C +ATOM 4949 CG1 ILE C 128 13.528 20.878 164.651 1.00 19.51 C +ATOM 4950 CG2 ILE C 128 11.758 22.692 164.840 1.00 17.99 C +ATOM 4951 CD1 ILE C 128 13.455 20.406 166.112 1.00 16.90 C +ATOM 4952 N ARG C 129 13.634 25.189 162.821 1.00 18.01 N +ATOM 4953 CA ARG C 129 13.144 26.516 162.426 1.00 18.49 C +ATOM 4954 C ARG C 129 13.028 26.672 160.924 1.00 19.13 C +ATOM 4955 O ARG C 129 12.023 27.133 160.419 1.00 20.58 O +ATOM 4956 CB ARG C 129 14.047 27.623 162.962 1.00 20.47 C +ATOM 4957 CG ARG C 129 13.831 27.896 164.438 1.00 22.16 C +ATOM 4958 CD ARG C 129 14.469 29.168 164.834 1.00 22.84 C +ATOM 4959 NE ARG C 129 14.025 29.591 166.168 1.00 23.88 N +ATOM 4960 CZ ARG C 129 14.670 29.307 167.300 1.00 22.60 C +ATOM 4961 NH1 ARG C 129 15.780 28.592 167.283 1.00 28.67 N +ATOM 4962 NH2 ARG C 129 14.209 29.743 168.463 1.00 24.74 N +ATOM 4963 N ASP C 130 14.046 26.240 160.204 1.00 19.18 N +ATOM 4964 CA ASP C 130 14.027 26.337 158.757 1.00 19.28 C +ATOM 4965 C ASP C 130 12.994 25.435 158.104 1.00 19.85 C +ATOM 4966 O ASP C 130 12.443 25.805 157.058 1.00 20.87 O +ATOM 4967 CB ASP C 130 15.413 26.090 158.185 1.00 19.99 C +ATOM 4968 CG ASP C 130 16.433 27.141 158.643 1.00 25.03 C +ATOM 4969 OD1 ASP C 130 16.027 28.275 159.014 1.00 24.33 O +ATOM 4970 OD2 ASP C 130 17.634 26.830 158.622 1.00 22.35 O +ATOM 4971 N LEU C 131 12.740 24.266 158.692 1.00 19.62 N +ATOM 4972 CA LEU C 131 11.780 23.329 158.163 1.00 19.70 C +ATOM 4973 C LEU C 131 10.340 23.756 158.452 1.00 20.72 C +ATOM 4974 O LEU C 131 9.425 23.348 157.755 1.00 20.74 O +ATOM 4975 CB LEU C 131 12.039 21.914 158.714 1.00 17.85 C +ATOM 4976 CG LEU C 131 13.107 21.085 158.000 1.00 23.01 C +ATOM 4977 CD1 LEU C 131 13.566 19.940 158.867 1.00 21.24 C +ATOM 4978 CD2 LEU C 131 12.611 20.594 156.598 1.00 15.93 C +ATOM 4979 N ALA C 132 10.137 24.571 159.482 1.00 21.51 N +ATOM 4980 CA ALA C 132 8.782 25.014 159.857 1.00 21.92 C +ATOM 4981 C ALA C 132 8.237 25.930 158.795 1.00 22.14 C +ATOM 4982 O ALA C 132 7.030 25.980 158.588 1.00 24.20 O +ATOM 4983 CB ALA C 132 8.785 25.735 161.204 1.00 20.21 C +ATOM 4984 N PHE C 133 9.131 26.653 158.126 1.00 24.15 N +ATOM 4985 CA PHE C 133 8.759 27.515 157.007 1.00 25.50 C +ATOM 4986 C PHE C 133 8.467 26.705 155.708 1.00 26.37 C +ATOM 4987 O PHE C 133 7.477 26.980 154.998 1.00 27.65 O +ATOM 4988 CB PHE C 133 9.848 28.597 156.829 1.00 27.01 C +ATOM 4989 CG PHE C 133 9.993 29.554 158.059 1.00 26.14 C +ATOM 4990 CD1 PHE C 133 8.924 30.339 158.490 1.00 28.83 C +ATOM 4991 CD2 PHE C 133 11.185 29.654 158.758 1.00 25.64 C +ATOM 4992 CE1 PHE C 133 9.044 31.198 159.575 1.00 23.70 C +ATOM 4993 CE2 PHE C 133 11.303 30.511 159.857 1.00 26.68 C +ATOM 4994 CZ PHE C 133 10.234 31.295 160.247 1.00 24.22 C +ATOM 4995 N GLU C 134 9.273 25.671 155.444 1.00 26.85 N +ATOM 4996 CA GLU C 134 9.072 24.788 154.313 1.00 27.70 C +ATOM 4997 C GLU C 134 7.865 23.847 154.449 1.00 26.03 C +ATOM 4998 O GLU C 134 7.209 23.557 153.466 1.00 25.01 O +ATOM 4999 CB GLU C 134 10.290 23.897 154.124 1.00 29.39 C +ATOM 5000 CG GLU C 134 11.545 24.546 153.577 1.00 36.83 C +ATOM 5001 CD GLU C 134 12.579 23.475 153.217 1.00 40.32 C +ATOM 5002 OE1 GLU C 134 12.373 22.799 152.168 1.00 56.04 O +ATOM 5003 OE2 GLU C 134 13.560 23.289 154.001 1.00 50.77 O +ATOM 5004 N TYR C 135 7.631 23.320 155.656 1.00 23.62 N +ATOM 5005 CA TYR C 135 6.549 22.386 155.924 1.00 22.18 C +ATOM 5006 C TYR C 135 5.724 22.909 157.115 1.00 22.82 C +ATOM 5007 O TYR C 135 5.804 22.373 158.221 1.00 21.14 O +ATOM 5008 CB TYR C 135 7.107 20.987 156.245 1.00 22.88 C +ATOM 5009 CG TYR C 135 7.905 20.323 155.133 1.00 20.84 C +ATOM 5010 CD1 TYR C 135 7.285 19.596 154.142 1.00 20.58 C +ATOM 5011 CD2 TYR C 135 9.280 20.432 155.090 1.00 24.39 C +ATOM 5012 CE1 TYR C 135 8.005 18.985 153.116 1.00 21.66 C +ATOM 5013 CE2 TYR C 135 10.019 19.849 154.070 1.00 18.94 C +ATOM 5014 CZ TYR C 135 9.382 19.120 153.097 1.00 23.17 C +ATOM 5015 OH TYR C 135 10.131 18.544 152.096 1.00 22.64 O +ATOM 5016 N PRO C 136 4.897 23.925 156.891 1.00 24.54 N +ATOM 5017 CA PRO C 136 4.166 24.551 158.015 1.00 25.67 C +ATOM 5018 C PRO C 136 3.153 23.685 158.732 1.00 25.69 C +ATOM 5019 O PRO C 136 2.724 24.040 159.805 1.00 26.82 O +ATOM 5020 CB PRO C 136 3.453 25.750 157.373 1.00 25.33 C +ATOM 5021 CG PRO C 136 4.045 25.888 155.984 1.00 26.98 C +ATOM 5022 CD PRO C 136 4.608 24.572 155.596 1.00 25.65 C +ATOM 5023 N ASP C 137 2.757 22.571 158.128 1.00 25.70 N +ATOM 5024 CA ASP C 137 1.764 21.675 158.715 1.00 25.95 C +ATOM 5025 C ASP C 137 2.439 20.465 159.375 1.00 24.36 C +ATOM 5026 O ASP C 137 1.762 19.527 159.790 1.00 23.74 O +ATOM 5027 CB ASP C 137 0.758 21.216 157.635 1.00 28.08 C +ATOM 5028 CG ASP C 137 1.433 20.585 156.399 1.00 30.92 C +ATOM 5029 OD1 ASP C 137 2.682 20.623 156.251 1.00 32.00 O +ATOM 5030 OD2 ASP C 137 0.692 20.085 155.538 1.00 42.18 O +ATOM 5031 N PHE C 138 3.764 20.495 159.488 1.00 23.01 N +ATOM 5032 CA PHE C 138 4.539 19.376 160.035 1.00 21.31 C +ATOM 5033 C PHE C 138 5.178 19.812 161.366 1.00 21.28 C +ATOM 5034 O PHE C 138 6.070 20.640 161.373 1.00 21.68 O +ATOM 5035 CB PHE C 138 5.625 18.951 159.023 1.00 21.00 C +ATOM 5036 CG PHE C 138 6.162 17.541 159.204 1.00 17.78 C +ATOM 5037 CD1 PHE C 138 7.140 17.266 160.120 1.00 32.06 C +ATOM 5038 CD2 PHE C 138 5.773 16.525 158.378 1.00 22.45 C +ATOM 5039 CE1 PHE C 138 7.677 15.976 160.242 1.00 31.20 C +ATOM 5040 CE2 PHE C 138 6.301 15.247 158.505 1.00 23.88 C +ATOM 5041 CZ PHE C 138 7.245 14.976 159.423 1.00 22.06 C +ATOM 5042 N LEU C 139 4.719 19.240 162.481 1.00 21.27 N +ATOM 5043 CA LEU C 139 5.277 19.534 163.770 1.00 21.54 C +ATOM 5044 C LEU C 139 6.525 18.692 164.001 1.00 21.14 C +ATOM 5045 O LEU C 139 6.448 17.474 163.922 1.00 22.06 O +ATOM 5046 CB LEU C 139 4.256 19.224 164.867 1.00 23.79 C +ATOM 5047 CG LEU C 139 4.599 19.466 166.351 1.00 23.75 C +ATOM 5048 CD1 LEU C 139 4.810 20.910 166.587 1.00 22.32 C +ATOM 5049 CD2 LEU C 139 3.465 18.903 167.262 1.00 21.57 C +ATOM 5050 N ILE C 140 7.653 19.330 164.294 1.00 19.42 N +ATOM 5051 CA ILE C 140 8.864 18.618 164.676 1.00 19.00 C +ATOM 5052 C ILE C 140 9.286 19.129 166.050 1.00 19.15 C +ATOM 5053 O ILE C 140 9.437 20.353 166.265 1.00 18.74 O +ATOM 5054 CB ILE C 140 10.017 18.816 163.666 1.00 17.79 C +ATOM 5055 CG1 ILE C 140 9.603 18.449 162.248 1.00 19.09 C +ATOM 5056 CG2 ILE C 140 11.239 18.065 164.074 1.00 12.64 C +ATOM 5057 CD1 ILE C 140 10.746 18.766 161.216 1.00 15.85 C +ATOM 5058 N ALA C 141 9.452 18.186 166.987 1.00 19.24 N +ATOM 5059 CA ALA C 141 9.938 18.472 168.327 1.00 18.31 C +ATOM 5060 C ALA C 141 11.294 17.785 168.474 1.00 18.08 C +ATOM 5061 O ALA C 141 11.579 16.858 167.746 1.00 19.15 O +ATOM 5062 CB ALA C 141 8.897 17.962 169.391 1.00 15.74 C +ATOM 5063 N ALA C 142 12.135 18.245 169.397 1.00 17.96 N +ATOM 5064 CA ALA C 142 13.453 17.614 169.693 1.00 18.54 C +ATOM 5065 C ALA C 142 13.722 17.586 171.199 1.00 18.89 C +ATOM 5066 O ALA C 142 13.454 18.578 171.885 1.00 19.58 O +ATOM 5067 CB ALA C 142 14.622 18.345 168.978 1.00 14.78 C +ATOM 5068 N ALA C 143 14.311 16.476 171.654 1.00 19.52 N +ATOM 5069 CA ALA C 143 14.737 16.244 173.021 1.00 20.39 C +ATOM 5070 C ALA C 143 15.991 15.358 173.041 1.00 20.51 C +ATOM 5071 O ALA C 143 16.170 14.456 172.210 1.00 19.38 O +ATOM 5072 CB ALA C 143 13.637 15.595 173.824 1.00 18.04 C +ATOM 5073 N ASN C 144 16.868 15.629 173.993 1.00 20.56 N +ATOM 5074 CA ASN C 144 17.880 14.662 174.394 1.00 21.45 C +ATOM 5075 C ASN C 144 17.261 13.729 175.443 1.00 21.01 C +ATOM 5076 O ASN C 144 16.672 14.208 176.397 1.00 21.54 O +ATOM 5077 CB ASN C 144 19.071 15.385 175.009 1.00 21.03 C +ATOM 5078 CG ASN C 144 19.931 16.131 173.986 1.00 24.41 C +ATOM 5079 OD1 ASN C 144 20.427 15.552 173.034 1.00 25.20 O +ATOM 5080 ND2 ASN C 144 20.148 17.412 174.221 1.00 21.74 N +ATOM 5081 N TRP C 145 17.398 12.415 175.313 1.00 19.61 N +ATOM 5082 CA TRP C 145 16.710 11.521 176.234 1.00 20.26 C +ATOM 5083 C TRP C 145 17.140 11.729 177.682 1.00 20.61 C +ATOM 5084 O TRP C 145 16.320 11.572 178.608 1.00 20.55 O +ATOM 5085 CB TRP C 145 16.839 10.056 175.827 1.00 19.12 C +ATOM 5086 CG TRP C 145 18.177 9.490 176.043 1.00 18.82 C +ATOM 5087 CD1 TRP C 145 19.193 9.416 175.130 1.00 17.73 C +ATOM 5088 CD2 TRP C 145 18.686 8.951 177.262 1.00 21.23 C +ATOM 5089 NE1 TRP C 145 20.296 8.852 175.703 1.00 21.90 N +ATOM 5090 CE2 TRP C 145 20.013 8.549 177.014 1.00 20.52 C +ATOM 5091 CE3 TRP C 145 18.158 8.785 178.550 1.00 21.70 C +ATOM 5092 CZ2 TRP C 145 20.809 7.975 177.992 1.00 19.50 C +ATOM 5093 CZ3 TRP C 145 18.968 8.191 179.529 1.00 21.87 C +ATOM 5094 CH2 TRP C 145 20.279 7.827 179.246 1.00 20.16 C +ATOM 5095 N PHE C 146 18.410 12.099 177.860 1.00 21.21 N +ATOM 5096 CA PHE C 146 19.031 12.265 179.164 1.00 21.04 C +ATOM 5097 C PHE C 146 18.749 13.624 179.796 1.00 21.62 C +ATOM 5098 O PHE C 146 19.243 13.908 180.866 1.00 23.38 O +ATOM 5099 CB PHE C 146 20.547 12.047 179.076 1.00 19.22 C +ATOM 5100 CG PHE C 146 21.195 12.813 177.981 1.00 21.98 C +ATOM 5101 CD1 PHE C 146 21.532 14.148 178.151 1.00 21.46 C +ATOM 5102 CD2 PHE C 146 21.437 12.216 176.754 1.00 21.59 C +ATOM 5103 CE1 PHE C 146 22.140 14.870 177.134 1.00 25.99 C +ATOM 5104 CE2 PHE C 146 22.009 12.936 175.722 1.00 24.29 C +ATOM 5105 CZ PHE C 146 22.360 14.259 175.905 1.00 27.63 C +ATOM 5106 N GLU C 147 17.976 14.459 179.127 1.00 21.48 N +ATOM 5107 CA GLU C 147 17.512 15.696 179.681 1.00 21.62 C +ATOM 5108 C GLU C 147 16.029 15.688 180.017 1.00 22.20 C +ATOM 5109 O GLU C 147 15.515 16.647 180.582 1.00 23.68 O +ATOM 5110 CB GLU C 147 17.793 16.818 178.705 1.00 23.17 C +ATOM 5111 CG GLU C 147 19.257 17.093 178.547 1.00 20.75 C +ATOM 5112 CD GLU C 147 19.522 18.234 177.631 1.00 25.12 C +ATOM 5113 OE1 GLU C 147 18.703 18.503 176.729 1.00 29.47 O +ATOM 5114 OE2 GLU C 147 20.578 18.852 177.785 1.00 32.81 O +ATOM 5115 N VAL C 148 15.353 14.586 179.719 1.00 23.17 N +ATOM 5116 CA VAL C 148 13.935 14.442 180.063 1.00 22.27 C +ATOM 5117 C VAL C 148 13.720 14.367 181.587 1.00 23.50 C +ATOM 5118 O VAL C 148 12.745 14.894 182.093 1.00 22.46 O +ATOM 5119 CB VAL C 148 13.307 13.229 179.364 1.00 21.28 C +ATOM 5120 CG1 VAL C 148 11.844 13.040 179.823 1.00 17.76 C +ATOM 5121 CG2 VAL C 148 13.373 13.405 177.833 1.00 15.92 C +ATOM 5122 N VAL C 149 14.623 13.666 182.275 1.00 23.14 N +ATOM 5123 CA VAL C 149 14.690 13.630 183.725 1.00 22.95 C +ATOM 5124 C VAL C 149 16.150 13.968 183.997 1.00 24.05 C +ATOM 5125 O VAL C 149 17.022 13.420 183.345 1.00 23.71 O +ATOM 5126 CB VAL C 149 14.271 12.223 184.279 1.00 22.38 C +ATOM 5127 CG1 VAL C 149 14.442 12.160 185.776 1.00 22.99 C +ATOM 5128 CG2 VAL C 149 12.833 11.899 183.867 1.00 18.48 C +ATOM 5129 N SER C 150 16.426 14.896 184.902 1.00 26.63 N +ATOM 5130 CA SER C 150 17.824 15.175 185.278 1.00 29.43 C +ATOM 5131 C SER C 150 18.387 13.928 185.923 1.00 29.46 C +ATOM 5132 O SER C 150 17.658 13.224 186.581 1.00 30.23 O +ATOM 5133 CB SER C 150 17.952 16.370 186.238 1.00 30.94 C +ATOM 5134 OG SER C 150 19.293 16.530 186.668 1.00 35.85 O +ATOM 5135 N PRO C 151 19.666 13.622 185.689 1.00 31.46 N +ATOM 5136 CA PRO C 151 20.283 12.445 186.307 1.00 32.86 C +ATOM 5137 C PRO C 151 20.775 12.684 187.720 1.00 34.50 C +ATOM 5138 O PRO C 151 20.942 11.736 188.469 1.00 34.24 O +ATOM 5139 CB PRO C 151 21.452 12.105 185.363 1.00 33.22 C +ATOM 5140 CG PRO C 151 21.629 13.317 184.457 1.00 35.29 C +ATOM 5141 CD PRO C 151 20.607 14.353 184.833 1.00 33.15 C +ATOM 5142 N LYS C 152 20.995 13.946 188.083 1.00 41.48 N +ATOM 5143 CA LYS C 152 21.324 14.290 189.473 1.00 45.63 C +ATOM 5144 C LYS C 152 20.175 13.792 190.389 1.00 43.03 C +ATOM 5145 O LYS C 152 19.000 14.024 190.111 1.00 45.16 O +ATOM 5146 CB LYS C 152 21.605 15.802 189.597 1.00 47.91 C +ATOM 5147 CG LYS C 152 22.827 16.273 188.749 1.00 49.26 C +ATOM 5148 CD LYS C 152 23.173 17.759 188.982 1.00 52.14 C +ATOM 5149 CE LYS C 152 24.557 18.152 188.386 1.00 59.53 C +ATOM 5150 NZ LYS C 152 24.655 17.960 186.886 1.00 61.37 N +ATOM 5151 N GLY C 153 20.528 13.057 191.435 1.00 39.36 N +ATOM 5152 CA GLY C 153 19.559 12.255 192.196 1.00 36.39 C +ATOM 5153 C GLY C 153 19.641 10.745 191.959 1.00 32.65 C +ATOM 5154 O GLY C 153 19.563 9.928 192.899 1.00 31.72 O +ATOM 5155 N TYR C 154 19.809 10.376 190.692 1.00 29.03 N +ATOM 5156 CA TYR C 154 19.783 8.986 190.252 1.00 26.53 C +ATOM 5157 C TYR C 154 21.175 8.324 190.241 1.00 25.05 C +ATOM 5158 O TYR C 154 21.293 7.089 190.213 1.00 26.29 O +ATOM 5159 CB TYR C 154 19.115 8.951 188.859 1.00 25.65 C +ATOM 5160 CG TYR C 154 17.613 9.225 188.922 1.00 23.35 C +ATOM 5161 CD1 TYR C 154 16.707 8.189 189.138 1.00 18.29 C +ATOM 5162 CD2 TYR C 154 17.113 10.516 188.790 1.00 23.50 C +ATOM 5163 CE1 TYR C 154 15.347 8.424 189.206 1.00 21.43 C +ATOM 5164 CE2 TYR C 154 15.742 10.766 188.856 1.00 24.29 C +ATOM 5165 CZ TYR C 154 14.864 9.716 189.068 1.00 22.31 C +ATOM 5166 OH TYR C 154 13.505 9.966 189.149 1.00 23.84 O +ATOM 5167 N PHE C 155 22.213 9.155 190.238 1.00 25.28 N +ATOM 5168 CA PHE C 155 23.606 8.694 190.147 1.00 26.77 C +ATOM 5169 C PHE C 155 24.568 9.426 191.091 1.00 29.16 C +ATOM 5170 O PHE C 155 24.396 10.589 191.401 1.00 30.87 O +ATOM 5171 CB PHE C 155 24.102 8.856 188.708 1.00 26.76 C +ATOM 5172 CG PHE C 155 23.237 8.153 187.715 1.00 23.31 C +ATOM 5173 CD1 PHE C 155 23.293 6.790 187.590 1.00 18.91 C +ATOM 5174 CD2 PHE C 155 22.302 8.844 186.981 1.00 22.30 C +ATOM 5175 CE1 PHE C 155 22.447 6.122 186.727 1.00 22.49 C +ATOM 5176 CE2 PHE C 155 21.485 8.174 186.111 1.00 26.14 C +ATOM 5177 CZ PHE C 155 21.584 6.795 185.980 1.00 22.19 C +ATOM 5178 N GLU C 156 25.630 8.731 191.479 1.00 31.91 N +ATOM 5179 CA GLU C 156 26.595 9.236 192.477 1.00 32.87 C +ATOM 5180 C GLU C 156 27.682 10.197 191.918 1.00 33.90 C +ATOM 5181 O GLU C 156 27.895 11.292 192.448 1.00 34.44 O +ATOM 5182 CB GLU C 156 27.235 8.018 193.160 1.00 33.40 C +ATOM 5183 CG GLU C 156 26.192 7.035 193.735 1.00 30.77 C +ATOM 5184 CD GLU C 156 26.786 6.036 194.712 1.00 34.23 C +ATOM 5185 OE1 GLU C 156 27.421 6.470 195.704 1.00 37.61 O +ATOM 5186 OE2 GLU C 156 26.616 4.813 194.481 1.00 40.22 O +ATOM 5187 N ALA C 157 28.326 9.793 190.826 1.00 34.96 N +ATOM 5188 CA ALA C 157 29.467 10.510 190.266 1.00 34.47 C +ATOM 5189 C ALA C 157 29.191 11.989 190.047 1.00 35.55 C +ATOM 5190 O ALA C 157 28.129 12.370 189.607 1.00 35.45 O +ATOM 5191 CB ALA C 157 29.926 9.850 188.973 1.00 33.47 C +ATOM 5192 N GLU C 158 30.157 12.822 190.406 1.00 37.56 N +ATOM 5193 CA GLU C 158 30.017 14.281 190.322 1.00 40.66 C +ATOM 5194 C GLU C 158 29.960 14.764 188.873 1.00 37.68 C +ATOM 5195 O GLU C 158 29.149 15.599 188.510 1.00 37.98 O +ATOM 5196 CB GLU C 158 31.209 14.939 191.048 1.00 39.98 C +ATOM 5197 CG GLU C 158 31.171 16.480 191.229 1.00 39.89 C +ATOM 5198 CD GLU C 158 30.021 16.979 192.138 1.00 45.70 C +ATOM 5199 OE1 GLU C 158 29.359 16.171 192.839 1.00 46.01 O +ATOM 5200 OE2 GLU C 158 29.786 18.204 192.159 1.00 48.92 O +ATOM 5201 N ILE C 159 30.858 14.241 188.066 1.00 35.15 N +ATOM 5202 CA ILE C 159 30.864 14.511 186.636 1.00 33.98 C +ATOM 5203 C ILE C 159 30.367 13.290 185.883 1.00 32.65 C +ATOM 5204 O ILE C 159 30.690 12.141 186.209 1.00 30.81 O +ATOM 5205 CB ILE C 159 32.248 14.947 186.152 1.00 35.13 C +ATOM 5206 CG1 ILE C 159 32.581 16.306 186.783 1.00 34.00 C +ATOM 5207 CG2 ILE C 159 32.308 15.000 184.602 1.00 31.21 C +ATOM 5208 CD1 ILE C 159 33.983 16.738 186.566 1.00 38.22 C +ATOM 5209 N ASP C 160 29.537 13.548 184.886 1.00 31.42 N +ATOM 5210 CA ASP C 160 28.860 12.476 184.173 1.00 32.42 C +ATOM 5211 C ASP C 160 28.400 13.031 182.825 1.00 31.90 C +ATOM 5212 O ASP C 160 27.214 13.099 182.555 1.00 32.25 O +ATOM 5213 CB ASP C 160 27.674 12.014 185.036 1.00 32.07 C +ATOM 5214 CG ASP C 160 26.916 10.822 184.452 1.00 34.95 C +ATOM 5215 OD1 ASP C 160 27.391 10.173 183.505 1.00 37.58 O +ATOM 5216 OD2 ASP C 160 25.819 10.541 184.965 1.00 40.88 O +ATOM 5217 N ASP C 161 29.351 13.454 181.997 1.00 31.34 N +ATOM 5218 CA ASP C 161 29.024 14.161 180.749 1.00 30.47 C +ATOM 5219 C ASP C 161 28.980 13.233 179.528 1.00 29.39 C +ATOM 5220 O ASP C 161 28.235 13.485 178.594 1.00 30.19 O +ATOM 5221 CB ASP C 161 30.027 15.268 180.451 1.00 29.97 C +ATOM 5222 CG ASP C 161 29.809 16.519 181.254 1.00 34.05 C +ATOM 5223 OD1 ASP C 161 28.807 16.636 181.996 1.00 44.41 O +ATOM 5224 OD2 ASP C 161 30.670 17.409 181.135 1.00 43.54 O +ATOM 5225 N HIS C 162 29.815 12.199 179.515 1.00 25.91 N +ATOM 5226 CA HIS C 162 29.908 11.320 178.361 1.00 23.70 C +ATOM 5227 C HIS C 162 30.439 9.973 178.792 1.00 22.20 C +ATOM 5228 O HIS C 162 31.512 9.906 179.356 1.00 20.78 O +ATOM 5229 CB HIS C 162 30.794 11.992 177.296 1.00 22.27 C +ATOM 5230 CG HIS C 162 31.234 11.083 176.200 1.00 21.01 C +ATOM 5231 ND1 HIS C 162 30.411 10.698 175.175 1.00 18.61 N +ATOM 5232 CD2 HIS C 162 32.435 10.516 175.950 1.00 22.92 C +ATOM 5233 CE1 HIS C 162 31.068 9.881 174.374 1.00 25.92 C +ATOM 5234 NE2 HIS C 162 32.303 9.761 174.815 1.00 20.36 N +ATOM 5235 N ALA C 163 29.676 8.908 178.542 1.00 20.98 N +ATOM 5236 CA ALA C 163 30.072 7.541 178.909 1.00 21.56 C +ATOM 5237 C ALA C 163 30.319 7.368 180.414 1.00 23.15 C +ATOM 5238 O ALA C 163 31.161 6.580 180.820 1.00 23.24 O +ATOM 5239 CB ALA C 163 31.306 7.121 178.114 1.00 19.56 C +ATOM 5240 N GLY C 164 29.579 8.123 181.227 1.00 23.55 N +ATOM 5241 CA GLY C 164 29.743 8.106 182.654 1.00 23.68 C +ATOM 5242 C GLY C 164 28.813 7.112 183.317 1.00 23.49 C +ATOM 5243 O GLY C 164 28.433 6.102 182.716 1.00 23.45 O +ATOM 5244 N GLU C 165 28.434 7.410 184.556 1.00 22.91 N +ATOM 5245 CA GLU C 165 27.623 6.512 185.352 1.00 22.63 C +ATOM 5246 C GLU C 165 26.250 6.320 184.745 1.00 22.22 C +ATOM 5247 O GLU C 165 25.771 5.203 184.697 1.00 22.74 O +ATOM 5248 CB GLU C 165 27.507 7.008 186.790 1.00 22.76 C +ATOM 5249 CG GLU C 165 27.003 5.952 187.760 1.00 25.32 C +ATOM 5250 CD GLU C 165 26.934 6.444 189.205 1.00 24.15 C +ATOM 5251 OE1 GLU C 165 27.890 7.103 189.668 1.00 26.21 O +ATOM 5252 OE2 GLU C 165 25.921 6.155 189.878 1.00 25.29 O +ATOM 5253 N SER C 166 25.637 7.390 184.234 1.00 22.80 N +ATOM 5254 CA SER C 166 24.284 7.298 183.693 1.00 22.92 C +ATOM 5255 C SER C 166 24.172 6.477 182.409 1.00 22.86 C +ATOM 5256 O SER C 166 23.404 5.520 182.347 1.00 24.21 O +ATOM 5257 CB SER C 166 23.642 8.677 183.525 1.00 24.21 C +ATOM 5258 OG SER C 166 24.362 9.509 182.662 1.00 29.22 O +ATOM 5259 N GLU C 167 24.925 6.851 181.383 1.00 23.53 N +ATOM 5260 CA GLU C 167 24.972 6.053 180.148 1.00 22.84 C +ATOM 5261 C GLU C 167 25.421 4.624 180.405 1.00 20.91 C +ATOM 5262 O GLU C 167 24.888 3.701 179.802 1.00 20.90 O +ATOM 5263 CB GLU C 167 25.890 6.690 179.081 1.00 22.00 C +ATOM 5264 CG GLU C 167 25.225 7.766 178.315 1.00 23.25 C +ATOM 5265 CD GLU C 167 26.043 8.231 177.120 1.00 27.19 C +ATOM 5266 OE1 GLU C 167 27.253 8.417 177.277 1.00 22.76 O +ATOM 5267 OE2 GLU C 167 25.482 8.414 176.029 1.00 22.36 O +ATOM 5268 N THR C 168 26.411 4.418 181.270 1.00 20.12 N +ATOM 5269 CA THR C 168 26.861 3.062 181.537 1.00 20.12 C +ATOM 5270 C THR C 168 25.755 2.228 182.207 1.00 20.86 C +ATOM 5271 O THR C 168 25.564 1.063 181.873 1.00 21.86 O +ATOM 5272 CB THR C 168 28.144 3.013 182.385 1.00 21.85 C +ATOM 5273 OG1 THR C 168 29.207 3.728 181.717 1.00 17.77 O +ATOM 5274 CG2 THR C 168 28.545 1.556 182.578 1.00 16.17 C +ATOM 5275 N SER C 169 25.023 2.836 183.141 1.00 20.93 N +ATOM 5276 CA SER C 169 23.974 2.126 183.915 1.00 20.68 C +ATOM 5277 C SER C 169 22.816 1.751 183.010 1.00 20.75 C +ATOM 5278 O SER C 169 22.312 0.632 183.052 1.00 20.57 O +ATOM 5279 CB SER C 169 23.484 3.017 185.060 1.00 21.50 C +ATOM 5280 OG SER C 169 24.521 3.227 186.020 1.00 18.62 O +ATOM 5281 N VAL C 170 22.433 2.701 182.163 1.00 21.13 N +ATOM 5282 CA VAL C 170 21.348 2.508 181.220 1.00 19.94 C +ATOM 5283 C VAL C 170 21.720 1.451 180.161 1.00 20.07 C +ATOM 5284 O VAL C 170 20.883 0.662 179.773 1.00 22.45 O +ATOM 5285 CB VAL C 170 20.871 3.831 180.581 1.00 17.91 C +ATOM 5286 CG1 VAL C 170 19.742 3.558 179.565 1.00 16.38 C +ATOM 5287 CG2 VAL C 170 20.373 4.810 181.644 1.00 16.86 C +HETATM 5288 N MSE C 171 22.971 1.412 179.727 1.00 19.70 N +HETATM 5289 CA MSE C 171 23.395 0.380 178.803 1.00 20.37 C +HETATM 5290 C MSE C 171 23.428 -0.989 179.483 1.00 21.26 C +HETATM 5291 O MSE C 171 23.069 -1.991 178.868 1.00 21.52 O +HETATM 5292 CB MSE C 171 24.785 0.671 178.207 1.00 18.34 C +HETATM 5293 CG MSE C 171 25.238 -0.396 177.166 1.00 20.27 C +HETATM 5294 SE MSE C 171 24.149 -0.408 175.508 0.75 18.71 SE +HETATM 5295 CE MSE C 171 24.486 1.446 174.978 1.00 17.49 C +HETATM 5296 N MSE C 172 23.893 -1.046 180.729 1.00 21.65 N +HETATM 5297 CA MSE C 172 23.854 -2.307 181.496 1.00 21.79 C +HETATM 5298 C MSE C 172 22.407 -2.844 181.707 1.00 22.29 C +HETATM 5299 O MSE C 172 22.191 -4.058 181.754 1.00 23.66 O +HETATM 5300 CB MSE C 172 24.540 -2.095 182.846 1.00 24.42 C +HETATM 5301 CG MSE C 172 26.066 -1.875 182.775 1.00 22.79 C +HETATM 5302 SE MSE C 172 26.787 -1.370 184.515 0.75 24.53 SE +HETATM 5303 CE MSE C 172 26.852 -3.098 185.331 1.00 23.60 C +ATOM 5304 N HIS C 173 21.431 -1.944 181.833 1.00 21.62 N +ATOM 5305 CA HIS C 173 19.994 -2.310 181.907 1.00 21.62 C +ATOM 5306 C HIS C 173 19.490 -2.892 180.597 1.00 22.95 C +ATOM 5307 O HIS C 173 18.985 -4.017 180.558 1.00 22.84 O +ATOM 5308 CB HIS C 173 19.146 -1.080 182.298 1.00 23.23 C +ATOM 5309 CG HIS C 173 17.661 -1.270 182.145 1.00 21.69 C +ATOM 5310 ND1 HIS C 173 16.948 -2.192 182.879 1.00 19.97 N +ATOM 5311 CD2 HIS C 173 16.760 -0.637 181.362 1.00 22.57 C +ATOM 5312 CE1 HIS C 173 15.673 -2.135 182.534 1.00 26.53 C +ATOM 5313 NE2 HIS C 173 15.529 -1.195 181.614 1.00 23.94 N +ATOM 5314 N TYR C 174 19.642 -2.125 179.514 1.00 22.62 N +ATOM 5315 CA TYR C 174 19.134 -2.530 178.206 1.00 21.21 C +ATOM 5316 C TYR C 174 19.967 -3.631 177.506 1.00 20.80 C +ATOM 5317 O TYR C 174 19.386 -4.533 176.898 1.00 19.47 O +ATOM 5318 CB TYR C 174 18.959 -1.290 177.281 1.00 20.61 C +ATOM 5319 CG TYR C 174 17.723 -0.455 177.573 1.00 21.35 C +ATOM 5320 CD1 TYR C 174 16.454 -1.034 177.649 1.00 19.84 C +ATOM 5321 CD2 TYR C 174 17.817 0.928 177.722 1.00 20.33 C +ATOM 5322 CE1 TYR C 174 15.304 -0.235 177.916 1.00 20.34 C +ATOM 5323 CE2 TYR C 174 16.685 1.716 177.986 1.00 21.02 C +ATOM 5324 CZ TYR C 174 15.446 1.139 178.087 1.00 19.72 C +ATOM 5325 OH TYR C 174 14.363 1.974 178.322 1.00 22.16 O +ATOM 5326 N HIS C 175 21.301 -3.540 177.585 1.00 21.75 N +ATOM 5327 CA HIS C 175 22.225 -4.458 176.903 1.00 22.31 C +ATOM 5328 C HIS C 175 23.441 -4.791 177.750 1.00 23.02 C +ATOM 5329 O HIS C 175 24.566 -4.356 177.472 1.00 23.52 O +ATOM 5330 CB HIS C 175 22.691 -3.904 175.554 1.00 22.66 C +ATOM 5331 CG HIS C 175 21.580 -3.751 174.580 1.00 21.05 C +ATOM 5332 ND1 HIS C 175 21.100 -4.805 173.829 1.00 24.84 N +ATOM 5333 CD2 HIS C 175 20.807 -2.683 174.279 1.00 21.20 C +ATOM 5334 CE1 HIS C 175 20.077 -4.391 173.108 1.00 26.95 C +ATOM 5335 NE2 HIS C 175 19.878 -3.108 173.363 1.00 26.12 N +ATOM 5336 N PRO C 176 23.237 -5.610 178.769 1.00 24.91 N +ATOM 5337 CA PRO C 176 24.370 -5.969 179.583 1.00 26.30 C +ATOM 5338 C PRO C 176 25.474 -6.681 178.797 1.00 25.69 C +ATOM 5339 O PRO C 176 26.610 -6.550 179.145 1.00 27.26 O +ATOM 5340 CB PRO C 176 23.744 -6.891 180.638 1.00 26.23 C +ATOM 5341 CG PRO C 176 22.501 -7.361 180.069 1.00 23.07 C +ATOM 5342 CD PRO C 176 21.996 -6.259 179.237 1.00 26.34 C +ATOM 5343 N GLU C 177 25.115 -7.388 177.729 1.00 27.16 N +ATOM 5344 CA GLU C 177 26.061 -8.135 176.882 1.00 27.57 C +ATOM 5345 C GLU C 177 27.039 -7.265 176.060 1.00 27.43 C +ATOM 5346 O GLU C 177 28.101 -7.742 175.655 1.00 26.84 O +ATOM 5347 CB GLU C 177 25.292 -9.078 175.962 1.00 26.26 C +ATOM 5348 CG GLU C 177 24.616 -8.438 174.740 1.00 30.86 C +ATOM 5349 CD GLU C 177 23.247 -7.773 175.011 1.00 34.25 C +ATOM 5350 OE1 GLU C 177 22.728 -7.815 176.169 1.00 30.17 O +ATOM 5351 OE2 GLU C 177 22.707 -7.203 174.034 1.00 32.74 O +ATOM 5352 N LEU C 178 26.695 -5.992 175.865 1.00 26.47 N +ATOM 5353 CA LEU C 178 27.511 -5.050 175.107 1.00 25.58 C +ATOM 5354 C LEU C 178 28.497 -4.229 175.964 1.00 26.73 C +ATOM 5355 O LEU C 178 29.236 -3.397 175.414 1.00 28.44 O +ATOM 5356 CB LEU C 178 26.597 -4.103 174.331 1.00 24.61 C +ATOM 5357 CG LEU C 178 25.709 -4.723 173.249 1.00 22.47 C +ATOM 5358 CD1 LEU C 178 24.749 -3.665 172.638 1.00 22.82 C +ATOM 5359 CD2 LEU C 178 26.558 -5.392 172.176 1.00 25.51 C +ATOM 5360 N VAL C 179 28.498 -4.420 177.291 1.00 26.89 N +ATOM 5361 CA VAL C 179 29.379 -3.649 178.172 1.00 26.83 C +ATOM 5362 C VAL C 179 29.966 -4.500 179.292 1.00 28.17 C +ATOM 5363 O VAL C 179 29.241 -5.198 179.987 1.00 28.86 O +ATOM 5364 CB VAL C 179 28.681 -2.373 178.778 1.00 29.26 C +ATOM 5365 CG1 VAL C 179 27.328 -2.689 179.388 1.00 25.47 C +ATOM 5366 CG2 VAL C 179 29.582 -1.700 179.832 1.00 27.45 C +ATOM 5367 N ASN C 180 31.288 -4.463 179.437 1.00 29.34 N +ATOM 5368 CA ASN C 180 31.992 -5.040 180.573 1.00 28.51 C +ATOM 5369 C ASN C 180 32.542 -3.879 181.385 1.00 27.58 C +ATOM 5370 O ASN C 180 33.569 -3.257 181.000 1.00 26.72 O +ATOM 5371 CB ASN C 180 33.138 -5.944 180.096 1.00 32.97 C +ATOM 5372 CG ASN C 180 33.963 -6.598 181.280 1.00 38.68 C +ATOM 5373 OD1 ASN C 180 33.674 -6.395 182.489 1.00 52.11 O +ATOM 5374 ND2 ASN C 180 34.993 -7.404 180.903 1.00 48.03 N +ATOM 5375 N LEU C 181 31.867 -3.582 182.501 1.00 26.85 N +ATOM 5376 CA LEU C 181 32.278 -2.479 183.388 1.00 27.41 C +ATOM 5377 C LEU C 181 33.764 -2.545 183.831 1.00 27.15 C +ATOM 5378 O LEU C 181 34.431 -1.505 183.943 1.00 26.77 O +ATOM 5379 CB LEU C 181 31.350 -2.397 184.612 1.00 28.70 C +ATOM 5380 CG LEU C 181 31.506 -1.163 185.522 1.00 28.83 C +ATOM 5381 CD1 LEU C 181 31.422 0.097 184.712 1.00 25.42 C +ATOM 5382 CD2 LEU C 181 30.420 -1.192 186.619 1.00 28.53 C +ATOM 5383 N ALA C 182 34.277 -3.758 184.025 1.00 27.95 N +ATOM 5384 CA ALA C 182 35.702 -3.990 184.366 1.00 29.04 C +ATOM 5385 C ALA C 182 36.715 -3.358 183.400 1.00 30.08 C +ATOM 5386 O ALA C 182 37.843 -3.090 183.810 1.00 30.44 O +ATOM 5387 CB ALA C 182 35.983 -5.481 184.476 1.00 28.93 C +ATOM 5388 N GLU C 183 36.326 -3.116 182.142 1.00 30.52 N +ATOM 5389 CA GLU C 183 37.219 -2.465 181.132 1.00 31.58 C +ATOM 5390 C GLU C 183 37.275 -0.918 181.174 1.00 27.83 C +ATOM 5391 O GLU C 183 38.132 -0.275 180.551 1.00 27.00 O +ATOM 5392 CB GLU C 183 36.795 -2.884 179.714 1.00 31.91 C +ATOM 5393 CG GLU C 183 36.708 -4.372 179.451 1.00 35.30 C +ATOM 5394 CD GLU C 183 36.148 -4.678 178.043 1.00 39.41 C +ATOM 5395 OE1 GLU C 183 36.232 -3.795 177.128 1.00 44.04 O +ATOM 5396 OE2 GLU C 183 35.633 -5.808 177.860 1.00 45.10 O +ATOM 5397 N ALA C 184 36.336 -0.319 181.893 1.00 27.07 N +ATOM 5398 CA ALA C 184 36.207 1.140 181.950 1.00 25.48 C +ATOM 5399 C ALA C 184 37.440 1.779 182.560 1.00 26.26 C +ATOM 5400 O ALA C 184 38.017 1.247 183.489 1.00 27.44 O +ATOM 5401 CB ALA C 184 34.962 1.515 182.758 1.00 24.13 C +ATOM 5402 N GLY C 185 37.859 2.913 182.023 1.00 25.97 N +ATOM 5403 CA GLY C 185 38.763 3.811 182.737 1.00 24.73 C +ATOM 5404 C GLY C 185 37.991 4.783 183.625 1.00 25.21 C +ATOM 5405 O GLY C 185 36.736 4.796 183.626 1.00 24.92 O +ATOM 5406 N ASP C 186 38.723 5.641 184.325 1.00 26.07 N +ATOM 5407 CA AASP C 186 38.136 6.545 185.317 0.50 27.78 C +ATOM 5408 CA BASP C 186 38.128 6.536 185.324 0.50 26.98 C +ATOM 5409 C ASP C 186 37.480 7.789 184.710 1.00 27.30 C +ATOM 5410 O ASP C 186 36.779 8.534 185.396 1.00 26.71 O +ATOM 5411 CB AASP C 186 39.189 6.947 186.375 0.50 29.94 C +ATOM 5412 CB BASP C 186 39.189 6.955 186.363 0.50 28.38 C +ATOM 5413 CG AASP C 186 40.353 7.780 185.805 0.50 36.19 C +ATOM 5414 CG BASP C 186 39.649 5.797 187.264 0.50 31.05 C +ATOM 5415 OD1AASP C 186 40.551 7.828 184.563 0.50 47.85 O +ATOM 5416 OD1BASP C 186 38.993 4.733 187.287 0.50 28.07 O +ATOM 5417 OD2AASP C 186 41.087 8.387 186.627 0.50 42.65 O +ATOM 5418 OD2BASP C 186 40.676 5.963 187.963 0.50 34.47 O +ATOM 5419 N GLY C 187 37.724 8.027 183.421 1.00 27.30 N +ATOM 5420 CA GLY C 187 37.144 9.154 182.710 1.00 26.78 C +ATOM 5421 C GLY C 187 37.480 10.504 183.272 1.00 26.81 C +ATOM 5422 O GLY C 187 36.653 11.409 183.270 1.00 25.59 O +ATOM 5423 N GLU C 188 38.721 10.643 183.712 1.00 27.94 N +ATOM 5424 CA GLU C 188 39.219 11.895 184.229 1.00 30.54 C +ATOM 5425 C GLU C 188 39.255 12.933 183.100 1.00 30.61 C +ATOM 5426 O GLU C 188 39.579 12.620 181.952 1.00 30.23 O +ATOM 5427 CB GLU C 188 40.593 11.670 184.889 1.00 30.06 C +ATOM 5428 N SER C 189 38.856 14.162 183.414 1.00 32.04 N +ATOM 5429 CA SER C 189 38.749 15.223 182.418 1.00 32.67 C +ATOM 5430 C SER C 189 39.410 16.519 182.922 1.00 33.69 C +ATOM 5431 O SER C 189 39.292 16.856 184.102 1.00 34.75 O +ATOM 5432 CB SER C 189 37.279 15.471 182.065 1.00 34.48 C +ATOM 5433 OG SER C 189 36.509 15.879 183.199 1.00 38.34 O +ATOM 5434 N LYS C 190 40.116 17.224 182.039 1.00 32.39 N +ATOM 5435 CA LYS C 190 40.783 18.472 182.396 1.00 34.58 C +ATOM 5436 C LYS C 190 39.906 19.606 181.919 1.00 32.02 C +ATOM 5437 O LYS C 190 39.335 19.505 180.834 1.00 31.30 O +ATOM 5438 CB LYS C 190 42.148 18.608 181.733 1.00 34.94 C +ATOM 5439 CG LYS C 190 43.209 17.654 182.267 1.00 42.60 C +ATOM 5440 CD LYS C 190 44.595 17.914 181.617 1.00 44.02 C +ATOM 5441 CE LYS C 190 45.651 16.964 182.199 1.00 53.44 C +ATOM 5442 NZ LYS C 190 46.906 16.932 181.385 1.00 54.81 N +ATOM 5443 N PRO C 191 39.770 20.674 182.728 1.00 30.85 N +ATOM 5444 CA PRO C 191 39.043 21.883 182.346 1.00 29.53 C +ATOM 5445 C PRO C 191 39.847 22.824 181.472 1.00 26.97 C +ATOM 5446 O PRO C 191 40.997 22.581 181.218 1.00 26.36 O +ATOM 5447 CB PRO C 191 38.756 22.523 183.698 1.00 30.57 C +ATOM 5448 CG PRO C 191 39.964 22.213 184.496 1.00 31.84 C +ATOM 5449 CD PRO C 191 40.277 20.778 184.111 1.00 32.35 C +ATOM 5450 N PHE C 192 39.234 23.897 181.003 1.00 26.43 N +ATOM 5451 CA PHE C 192 39.980 24.923 180.254 1.00 25.77 C +ATOM 5452 C PHE C 192 40.952 25.665 181.190 1.00 26.33 C +ATOM 5453 O PHE C 192 40.780 25.611 182.416 1.00 25.97 O +ATOM 5454 CB PHE C 192 39.011 25.933 179.620 1.00 25.55 C +ATOM 5455 CG PHE C 192 37.995 25.300 178.698 1.00 24.45 C +ATOM 5456 CD1 PHE C 192 38.412 24.649 177.538 1.00 24.45 C +ATOM 5457 CD2 PHE C 192 36.647 25.351 178.980 1.00 25.05 C +ATOM 5458 CE1 PHE C 192 37.506 24.069 176.679 1.00 24.88 C +ATOM 5459 CE2 PHE C 192 35.720 24.761 178.111 1.00 28.26 C +ATOM 5460 CZ PHE C 192 36.161 24.115 176.963 1.00 23.04 C +ATOM 5461 N ALA C 193 41.946 26.340 180.606 1.00 26.12 N +ATOM 5462 CA ALA C 193 42.810 27.267 181.328 1.00 27.44 C +ATOM 5463 C ALA C 193 42.251 28.691 181.340 1.00 28.22 C +ATOM 5464 O ALA C 193 42.781 29.545 182.034 1.00 29.62 O +ATOM 5465 CB ALA C 193 44.196 27.261 180.736 1.00 26.45 C +ATOM 5466 N ILE C 194 41.188 28.934 180.567 1.00 28.27 N +ATOM 5467 CA ILE C 194 40.437 30.196 180.594 1.00 25.43 C +ATOM 5468 C ILE C 194 39.297 30.028 181.612 1.00 26.62 C +ATOM 5469 O ILE C 194 38.334 29.268 181.369 1.00 26.86 O +ATOM 5470 CB ILE C 194 39.916 30.581 179.183 1.00 25.88 C +ATOM 5471 CG1 ILE C 194 41.083 30.607 178.177 1.00 23.74 C +ATOM 5472 CG2 ILE C 194 39.169 31.949 179.214 1.00 24.91 C +ATOM 5473 CD1 ILE C 194 40.656 30.783 176.663 1.00 25.04 C +ATOM 5474 N ALA C 195 39.425 30.729 182.751 1.00 25.65 N +ATOM 5475 CA ALA C 195 38.523 30.571 183.899 1.00 25.39 C +ATOM 5476 C ALA C 195 37.057 30.791 183.546 1.00 24.50 C +ATOM 5477 O ALA C 195 36.181 29.999 183.907 1.00 25.67 O +ATOM 5478 CB ALA C 195 38.944 31.520 185.069 1.00 24.59 C +ATOM 5479 N SER C 196 36.800 31.859 182.815 1.00 24.54 N +ATOM 5480 CA SER C 196 35.427 32.246 182.443 1.00 23.97 C +ATOM 5481 C SER C 196 34.724 31.196 181.585 1.00 23.90 C +ATOM 5482 O SER C 196 33.498 31.062 181.656 1.00 23.98 O +ATOM 5483 CB SER C 196 35.459 33.580 181.705 1.00 26.49 C +ATOM 5484 OG SER C 196 36.182 34.565 182.445 1.00 29.06 O +ATOM 5485 N LEU C 197 35.475 30.446 180.778 1.00 23.76 N +ATOM 5486 CA LEU C 197 34.874 29.337 179.994 1.00 24.31 C +ATOM 5487 C LEU C 197 34.440 28.174 180.905 1.00 25.20 C +ATOM 5488 O LEU C 197 33.385 27.589 180.711 1.00 26.36 O +ATOM 5489 CB LEU C 197 35.825 28.839 178.883 1.00 23.33 C +ATOM 5490 CG LEU C 197 36.151 29.889 177.815 1.00 25.36 C +ATOM 5491 CD1 LEU C 197 37.196 29.385 176.813 1.00 24.99 C +ATOM 5492 CD2 LEU C 197 34.879 30.358 177.103 1.00 22.03 C +ATOM 5493 N ASN C 198 35.234 27.861 181.917 1.00 26.93 N +ATOM 5494 CA ASN C 198 34.833 26.871 182.930 1.00 27.39 C +ATOM 5495 C ASN C 198 33.607 27.303 183.727 1.00 27.79 C +ATOM 5496 O ASN C 198 32.798 26.459 184.127 1.00 27.82 O +ATOM 5497 CB ASN C 198 35.979 26.614 183.912 1.00 26.74 C +ATOM 5498 CG ASN C 198 37.185 26.001 183.259 1.00 28.10 C +ATOM 5499 OD1 ASN C 198 37.063 25.146 182.363 1.00 31.57 O +ATOM 5500 ND2 ASN C 198 38.380 26.418 183.707 1.00 28.91 N +ATOM 5501 N GLU C 199 33.486 28.611 183.955 1.00 28.77 N +ATOM 5502 CA GLU C 199 32.353 29.210 184.655 1.00 31.29 C +ATOM 5503 C GLU C 199 31.171 29.449 183.703 1.00 30.39 C +ATOM 5504 O GLU C 199 30.101 29.883 184.153 1.00 29.99 O +ATOM 5505 CB GLU C 199 32.750 30.554 185.304 1.00 31.41 C +ATOM 5506 CG GLU C 199 33.971 30.542 186.250 1.00 37.50 C +ATOM 5507 CD GLU C 199 34.651 31.965 186.434 1.00 41.28 C +ATOM 5508 OE1 GLU C 199 34.232 32.992 185.801 1.00 48.09 O +ATOM 5509 OE2 GLU C 199 35.637 32.043 187.222 1.00 55.99 O +ATOM 5510 N LYS C 200 31.388 29.238 182.398 1.00 30.33 N +ATOM 5511 CA LYS C 200 30.325 29.271 181.364 1.00 29.92 C +ATOM 5512 C LYS C 200 29.819 30.654 181.019 1.00 27.75 C +ATOM 5513 O LYS C 200 28.655 30.832 180.667 1.00 27.80 O +ATOM 5514 CB LYS C 200 29.166 28.344 181.733 1.00 28.96 C +ATOM 5515 CG LYS C 200 29.642 26.922 182.009 1.00 36.31 C +ATOM 5516 CD LYS C 200 28.492 25.943 181.991 1.00 42.22 C +ATOM 5517 CE LYS C 200 28.951 24.497 182.175 1.00 50.54 C +ATOM 5518 NZ LYS C 200 27.801 23.546 182.007 1.00 53.22 N +ATOM 5519 N VAL C 201 30.701 31.639 181.106 1.00 25.64 N +ATOM 5520 CA VAL C 201 30.355 32.983 180.665 1.00 24.60 C +ATOM 5521 C VAL C 201 30.137 32.894 179.148 1.00 23.81 C +ATOM 5522 O VAL C 201 29.253 33.543 178.625 1.00 23.03 O +ATOM 5523 CB VAL C 201 31.465 33.991 181.023 1.00 24.64 C +ATOM 5524 CG1 VAL C 201 31.069 35.397 180.592 1.00 20.65 C +ATOM 5525 CG2 VAL C 201 31.788 33.915 182.526 1.00 24.87 C +ATOM 5526 N ALA C 202 30.951 32.066 178.477 1.00 22.57 N +ATOM 5527 CA ALA C 202 30.844 31.789 177.038 1.00 20.99 C +ATOM 5528 C ALA C 202 31.101 30.291 176.829 1.00 22.01 C +ATOM 5529 O ALA C 202 31.735 29.645 177.656 1.00 22.05 O +ATOM 5530 CB ALA C 202 31.894 32.640 176.229 1.00 18.36 C +ATOM 5531 N TRP C 203 30.633 29.762 175.703 1.00 22.46 N +ATOM 5532 CA TRP C 203 30.829 28.344 175.325 1.00 20.90 C +ATOM 5533 C TRP C 203 31.962 28.177 174.283 1.00 20.55 C +ATOM 5534 O TRP C 203 32.065 28.935 173.303 1.00 18.68 O +ATOM 5535 CB TRP C 203 29.512 27.781 174.792 1.00 19.92 C +ATOM 5536 CG TRP C 203 29.553 26.338 174.370 1.00 22.07 C +ATOM 5537 CD1 TRP C 203 29.323 25.233 175.158 1.00 25.05 C +ATOM 5538 CD2 TRP C 203 29.839 25.838 173.060 1.00 20.25 C +ATOM 5539 NE1 TRP C 203 29.463 24.078 174.414 1.00 24.31 N +ATOM 5540 CE2 TRP C 203 29.800 24.416 173.131 1.00 24.74 C +ATOM 5541 CE3 TRP C 203 30.166 26.447 171.843 1.00 20.05 C +ATOM 5542 CZ2 TRP C 203 30.020 23.600 172.007 1.00 25.84 C +ATOM 5543 CZ3 TRP C 203 30.414 25.637 170.737 1.00 22.07 C +ATOM 5544 CH2 TRP C 203 30.327 24.233 170.822 1.00 20.50 C +ATOM 5545 N VAL C 204 32.821 27.190 174.544 1.00 20.11 N +ATOM 5546 CA VAL C 204 33.815 26.697 173.602 1.00 20.61 C +ATOM 5547 C VAL C 204 33.711 25.202 173.730 1.00 21.85 C +ATOM 5548 O VAL C 204 33.533 24.704 174.843 1.00 21.75 O +ATOM 5549 CB VAL C 204 35.254 27.171 173.914 1.00 21.47 C +ATOM 5550 CG1 VAL C 204 36.332 26.365 173.082 1.00 19.85 C +ATOM 5551 CG2 VAL C 204 35.365 28.679 173.631 1.00 18.77 C +ATOM 5552 N PRO C 205 33.793 24.475 172.598 1.00 21.38 N +ATOM 5553 CA PRO C 205 33.731 23.011 172.706 1.00 22.54 C +ATOM 5554 C PRO C 205 34.948 22.453 173.453 1.00 22.76 C +ATOM 5555 O PRO C 205 36.057 22.965 173.322 1.00 23.52 O +ATOM 5556 CB PRO C 205 33.751 22.549 171.245 1.00 23.09 C +ATOM 5557 CG PRO C 205 34.422 23.690 170.489 1.00 22.31 C +ATOM 5558 CD PRO C 205 33.988 24.936 171.210 1.00 18.90 C +ATOM 5559 N ARG C 206 34.739 21.411 174.232 1.00 23.52 N +ATOM 5560 CA ARG C 206 35.831 20.682 174.847 1.00 25.18 C +ATOM 5561 C ARG C 206 36.699 20.052 173.763 1.00 22.53 C +ATOM 5562 O ARG C 206 36.165 19.519 172.817 1.00 21.31 O +ATOM 5563 CB ARG C 206 35.275 19.574 175.755 1.00 25.43 C +ATOM 5564 CG ARG C 206 36.313 18.584 176.257 1.00 29.91 C +ATOM 5565 CD ARG C 206 35.676 17.386 176.956 1.00 32.05 C +ATOM 5566 NE ARG C 206 35.189 17.760 178.280 1.00 43.57 N +ATOM 5567 CZ ARG C 206 33.915 17.951 178.631 1.00 48.25 C +ATOM 5568 NH1 ARG C 206 32.923 17.767 177.768 1.00 44.68 N +ATOM 5569 NH2 ARG C 206 33.640 18.308 179.889 1.00 47.45 N +ATOM 5570 N HIS C 207 38.031 20.115 173.929 1.00 22.78 N +ATOM 5571 CA HIS C 207 38.979 19.414 173.072 1.00 22.30 C +ATOM 5572 C HIS C 207 39.318 18.084 173.721 1.00 23.90 C +ATOM 5573 O HIS C 207 39.945 18.038 174.765 1.00 23.54 O +ATOM 5574 CB HIS C 207 40.240 20.257 172.827 1.00 23.50 C +ATOM 5575 CG HIS C 207 39.986 21.472 171.990 1.00 22.08 C +ATOM 5576 ND1 HIS C 207 40.885 21.934 171.064 1.00 23.90 N +ATOM 5577 CD2 HIS C 207 38.914 22.297 171.923 1.00 19.90 C +ATOM 5578 CE1 HIS C 207 40.389 23.004 170.468 1.00 24.61 C +ATOM 5579 NE2 HIS C 207 39.194 23.248 170.973 1.00 24.20 N +ATOM 5580 N TRP C 208 38.865 17.004 173.095 1.00 24.31 N +ATOM 5581 CA TRP C 208 39.005 15.648 173.629 1.00 24.27 C +ATOM 5582 C TRP C 208 40.468 15.224 173.803 1.00 25.51 C +ATOM 5583 O TRP C 208 40.794 14.484 174.735 1.00 25.73 O +ATOM 5584 CB TRP C 208 38.253 14.636 172.739 1.00 23.80 C +ATOM 5585 CG TRP C 208 37.063 13.992 173.377 1.00 22.17 C +ATOM 5586 CD1 TRP C 208 36.970 12.678 173.813 1.00 20.57 C +ATOM 5587 CD2 TRP C 208 35.798 14.601 173.684 1.00 24.62 C +ATOM 5588 NE1 TRP C 208 35.736 12.457 174.381 1.00 24.31 N +ATOM 5589 CE2 TRP C 208 34.988 13.602 174.302 1.00 24.55 C +ATOM 5590 CE3 TRP C 208 35.263 15.884 173.496 1.00 25.08 C +ATOM 5591 CZ2 TRP C 208 33.676 13.849 174.728 1.00 24.10 C +ATOM 5592 CZ3 TRP C 208 33.952 16.125 173.911 1.00 28.44 C +ATOM 5593 CH2 TRP C 208 33.173 15.104 174.517 1.00 27.21 C +ATOM 5594 N ASP C 209 41.331 15.652 172.894 1.00 25.73 N +ATOM 5595 CA ASP C 209 42.758 15.304 172.944 1.00 28.04 C +ATOM 5596 C ASP C 209 43.461 15.959 174.138 1.00 29.25 C +ATOM 5597 O ASP C 209 44.347 15.368 174.708 1.00 29.61 O +ATOM 5598 CB ASP C 209 43.498 15.611 171.624 1.00 26.52 C +ATOM 5599 CG ASP C 209 43.466 17.089 171.221 1.00 30.13 C +ATOM 5600 OD1 ASP C 209 42.397 17.732 171.270 1.00 28.01 O +ATOM 5601 OD2 ASP C 209 44.535 17.603 170.808 1.00 36.59 O +ATOM 5602 N LYS C 210 43.012 17.147 174.542 1.00 29.89 N +ATOM 5603 CA LYS C 210 43.578 17.846 175.695 1.00 29.85 C +ATOM 5604 C LYS C 210 42.856 17.516 176.984 1.00 29.59 C +ATOM 5605 O LYS C 210 43.449 17.608 178.038 1.00 31.27 O +ATOM 5606 CB LYS C 210 43.509 19.362 175.497 1.00 30.40 C +ATOM 5607 CG LYS C 210 44.088 19.900 174.211 1.00 31.45 C +ATOM 5608 CD LYS C 210 45.574 19.657 174.097 1.00 40.07 C +ATOM 5609 CE LYS C 210 46.232 20.602 173.060 1.00 45.96 C +ATOM 5610 NZ LYS C 210 45.339 20.958 171.884 1.00 51.09 N +ATOM 5611 N ALA C 211 41.588 17.130 176.891 1.00 28.82 N +ATOM 5612 CA ALA C 211 40.667 17.119 178.019 1.00 28.94 C +ATOM 5613 C ALA C 211 40.389 15.755 178.622 1.00 30.41 C +ATOM 5614 O ALA C 211 39.960 15.690 179.753 1.00 31.96 O +ATOM 5615 CB ALA C 211 39.372 17.737 177.618 1.00 29.46 C +ATOM 5616 N THR C 212 40.623 14.681 177.866 1.00 30.43 N +ATOM 5617 CA ATHR C 212 40.324 13.322 178.307 0.50 31.88 C +ATOM 5618 CA BTHR C 212 40.345 13.323 178.320 0.50 30.15 C +ATOM 5619 C THR C 212 41.498 12.386 178.018 1.00 32.28 C +ATOM 5620 O THR C 212 42.325 12.656 177.178 1.00 35.24 O +ATOM 5621 CB ATHR C 212 39.084 12.767 177.589 0.50 31.90 C +ATOM 5622 CB BTHR C 212 39.131 12.687 177.637 0.50 29.67 C +ATOM 5623 OG1ATHR C 212 39.337 12.718 176.182 0.50 33.05 O +ATOM 5624 OG1BTHR C 212 38.119 13.667 177.346 0.50 31.34 O +ATOM 5625 CG2ATHR C 212 37.867 13.644 177.829 0.50 35.01 C +ATOM 5626 CG2BTHR C 212 38.596 11.600 178.530 0.50 18.27 C +ATOM 5627 N VAL C 213 41.530 11.266 178.708 1.00 32.93 N +ATOM 5628 CA VAL C 213 42.584 10.295 178.537 1.00 33.36 C +ATOM 5629 C VAL C 213 42.035 9.038 177.850 1.00 31.29 C +ATOM 5630 O VAL C 213 42.649 8.509 176.946 1.00 31.50 O +ATOM 5631 CB VAL C 213 43.205 9.960 179.923 1.00 35.71 C +ATOM 5632 CG1 VAL C 213 44.330 8.952 179.782 1.00 36.41 C +ATOM 5633 CG2 VAL C 213 43.702 11.266 180.604 1.00 39.11 C +ATOM 5634 N ASP C 214 40.865 8.584 178.282 1.00 29.01 N +ATOM 5635 CA ASP C 214 40.288 7.338 177.782 1.00 28.94 C +ATOM 5636 C ASP C 214 39.087 7.603 176.853 1.00 27.10 C +ATOM 5637 O ASP C 214 38.403 6.676 176.474 1.00 25.67 O +ATOM 5638 CB ASP C 214 39.928 6.388 178.962 1.00 28.34 C +ATOM 5639 CG ASP C 214 39.078 7.061 180.060 1.00 32.00 C +ATOM 5640 OD1 ASP C 214 38.264 7.923 179.714 1.00 33.59 O +ATOM 5641 OD2 ASP C 214 39.184 6.700 181.254 1.00 29.47 O +ATOM 5642 N SER C 215 38.876 8.874 176.501 1.00 25.71 N +ATOM 5643 CA SER C 215 37.701 9.362 175.764 1.00 25.38 C +ATOM 5644 C SER C 215 36.398 9.544 176.593 1.00 25.17 C +ATOM 5645 O SER C 215 35.456 10.140 176.103 1.00 26.49 O +ATOM 5646 CB SER C 215 37.422 8.545 174.484 1.00 23.11 C +ATOM 5647 OG SER C 215 36.504 7.489 174.692 1.00 23.58 O +ATOM 5648 N GLY C 216 36.345 9.070 177.840 1.00 24.02 N +ATOM 5649 CA GLY C 216 35.174 9.319 178.711 1.00 22.64 C +ATOM 5650 C GLY C 216 35.273 10.634 179.455 1.00 22.56 C +ATOM 5651 O GLY C 216 36.352 11.144 179.669 1.00 22.19 O +ATOM 5652 N VAL C 217 34.138 11.196 179.841 1.00 23.42 N +ATOM 5653 CA VAL C 217 34.110 12.369 180.707 1.00 23.77 C +ATOM 5654 C VAL C 217 33.168 12.051 181.866 1.00 24.64 C +ATOM 5655 O VAL C 217 31.972 12.250 181.778 1.00 23.67 O +ATOM 5656 CB VAL C 217 33.666 13.644 179.971 1.00 24.36 C +ATOM 5657 CG1 VAL C 217 33.819 14.865 180.895 1.00 22.54 C +ATOM 5658 CG2 VAL C 217 34.448 13.829 178.670 1.00 20.78 C +ATOM 5659 N GLY C 218 33.743 11.522 182.948 1.00 25.27 N +ATOM 5660 CA GLY C 218 32.985 11.105 184.112 1.00 25.74 C +ATOM 5661 C GLY C 218 33.354 9.692 184.502 1.00 26.36 C +ATOM 5662 O GLY C 218 33.546 8.844 183.654 1.00 25.82 O +ATOM 5663 N ASN C 219 33.462 9.456 185.806 1.00 27.29 N +ATOM 5664 CA ASN C 219 33.822 8.143 186.340 1.00 26.40 C +ATOM 5665 C ASN C 219 32.576 7.302 186.322 1.00 24.55 C +ATOM 5666 O ASN C 219 31.602 7.704 186.928 1.00 25.15 O +ATOM 5667 CB ASN C 219 34.346 8.280 187.775 1.00 27.47 C +ATOM 5668 CG ASN C 219 35.061 7.033 188.266 1.00 25.13 C +ATOM 5669 OD1 ASN C 219 34.651 5.923 187.968 1.00 28.98 O +ATOM 5670 ND2 ASN C 219 36.092 7.221 189.065 1.00 20.75 N +ATOM 5671 N PRO C 220 32.588 6.171 185.582 1.00 23.37 N +ATOM 5672 CA PRO C 220 31.433 5.307 185.410 1.00 24.79 C +ATOM 5673 C PRO C 220 31.359 4.110 186.369 1.00 25.68 C +ATOM 5674 O PRO C 220 30.419 3.342 186.314 1.00 24.55 O +ATOM 5675 CB PRO C 220 31.655 4.780 183.995 1.00 24.66 C +ATOM 5676 CG PRO C 220 33.173 4.580 183.940 1.00 18.37 C +ATOM 5677 CD PRO C 220 33.750 5.671 184.808 1.00 23.24 C +ATOM 5678 N LYS C 221 32.353 3.947 187.223 1.00 27.72 N +ATOM 5679 CA LYS C 221 32.565 2.671 187.933 1.00 31.78 C +ATOM 5680 C LYS C 221 31.519 2.291 189.013 1.00 27.18 C +ATOM 5681 O LYS C 221 31.431 1.131 189.383 1.00 27.47 O +ATOM 5682 CB LYS C 221 34.009 2.626 188.478 1.00 33.49 C +ATOM 5683 CG LYS C 221 35.039 2.609 187.336 1.00 35.83 C +ATOM 5684 CD LYS C 221 36.470 2.522 187.847 1.00 36.98 C +ATOM 5685 CE LYS C 221 37.462 2.251 186.718 1.00 43.13 C +ATOM 5686 NZ LYS C 221 38.887 2.188 187.202 1.00 42.03 N +ATOM 5687 N LYS C 222 30.697 3.231 189.466 1.00 26.73 N +ATOM 5688 CA LYS C 222 29.560 2.885 190.339 1.00 26.78 C +ATOM 5689 C LYS C 222 28.265 2.554 189.586 1.00 25.42 C +ATOM 5690 O LYS C 222 27.218 2.360 190.206 1.00 24.83 O +ATOM 5691 CB LYS C 222 29.293 3.997 191.334 1.00 28.53 C +ATOM 5692 CG LYS C 222 30.484 4.291 192.201 1.00 31.67 C +ATOM 5693 CD LYS C 222 30.127 4.456 193.639 1.00 40.27 C +ATOM 5694 CE LYS C 222 31.332 4.168 194.510 1.00 48.00 C +ATOM 5695 NZ LYS C 222 30.933 3.484 195.768 1.00 50.01 N +ATOM 5696 N ALA C 223 28.361 2.461 188.259 1.00 24.60 N +ATOM 5697 CA ALA C 223 27.241 2.100 187.397 1.00 22.90 C +ATOM 5698 C ALA C 223 26.695 0.706 187.701 1.00 22.92 C +ATOM 5699 O ALA C 223 27.461 -0.211 188.000 1.00 22.29 O +ATOM 5700 CB ALA C 223 27.685 2.215 185.894 1.00 20.69 C +ATOM 5701 N THR C 224 25.363 0.575 187.645 1.00 22.24 N +ATOM 5702 CA THR C 224 24.659 -0.686 187.785 1.00 22.21 C +ATOM 5703 C THR C 224 23.400 -0.717 186.894 1.00 22.31 C +ATOM 5704 O THR C 224 22.781 0.322 186.606 1.00 22.17 O +ATOM 5705 CB THR C 224 24.163 -0.946 189.247 1.00 23.26 C +ATOM 5706 OG1 THR C 224 23.085 -0.049 189.555 1.00 24.44 O +ATOM 5707 CG2 THR C 224 25.236 -0.754 190.217 1.00 18.17 C +ATOM 5708 N ALA C 225 23.025 -1.916 186.466 1.00 21.72 N +ATOM 5709 CA ALA C 225 21.781 -2.114 185.750 1.00 21.71 C +ATOM 5710 C ALA C 225 20.547 -1.574 186.500 1.00 24.20 C +ATOM 5711 O ALA C 225 19.654 -1.016 185.866 1.00 24.22 O +ATOM 5712 CB ALA C 225 21.610 -3.611 185.393 1.00 20.33 C +ATOM 5713 N GLU C 226 20.505 -1.725 187.834 1.00 26.16 N +ATOM 5714 CA GLU C 226 19.368 -1.280 188.651 1.00 29.01 C +ATOM 5715 C GLU C 226 19.229 0.223 188.669 1.00 24.15 C +ATOM 5716 O GLU C 226 18.135 0.773 188.631 1.00 23.14 O +ATOM 5717 CB GLU C 226 19.522 -1.738 190.110 1.00 31.84 C +ATOM 5718 CG GLU C 226 18.894 -3.076 190.458 1.00 41.54 C +ATOM 5719 CD GLU C 226 18.877 -3.355 192.001 1.00 44.14 C +ATOM 5720 OE1 GLU C 226 18.597 -2.411 192.790 1.00 56.24 O +ATOM 5721 OE2 GLU C 226 19.135 -4.526 192.406 1.00 62.61 O +ATOM 5722 N LYS C 227 20.364 0.896 188.763 1.00 23.58 N +ATOM 5723 CA LYS C 227 20.386 2.354 188.644 1.00 24.06 C +ATOM 5724 C LYS C 227 19.878 2.826 187.260 1.00 23.52 C +ATOM 5725 O LYS C 227 19.207 3.849 187.154 1.00 23.85 O +ATOM 5726 CB LYS C 227 21.801 2.862 188.869 1.00 23.47 C +ATOM 5727 CG LYS C 227 22.262 2.867 190.296 1.00 24.68 C +ATOM 5728 CD LYS C 227 23.661 3.517 190.348 1.00 26.32 C +ATOM 5729 CE LYS C 227 24.314 3.412 191.687 1.00 26.72 C +ATOM 5730 NZ LYS C 227 25.532 4.256 191.762 1.00 28.32 N +ATOM 5731 N GLY C 228 20.230 2.086 186.214 1.00 23.26 N +ATOM 5732 CA GLY C 228 19.807 2.414 184.860 1.00 23.00 C +ATOM 5733 C GLY C 228 18.318 2.188 184.700 1.00 23.44 C +ATOM 5734 O GLY C 228 17.607 3.030 184.155 1.00 23.02 O +ATOM 5735 N GLU C 229 17.854 1.058 185.206 1.00 24.60 N +ATOM 5736 CA GLU C 229 16.426 0.741 185.217 1.00 26.34 C +ATOM 5737 C GLU C 229 15.620 1.818 185.919 1.00 25.29 C +ATOM 5738 O GLU C 229 14.643 2.280 185.408 1.00 24.72 O +ATOM 5739 CB GLU C 229 16.188 -0.588 185.901 1.00 25.75 C +ATOM 5740 CG GLU C 229 14.747 -1.047 185.835 1.00 30.62 C +ATOM 5741 CD GLU C 229 14.573 -2.456 186.388 1.00 37.73 C +ATOM 5742 OE1 GLU C 229 15.310 -2.836 187.331 1.00 45.32 O +ATOM 5743 OE2 GLU C 229 13.695 -3.180 185.878 1.00 49.36 O +ATOM 5744 N ARG C 230 16.063 2.199 187.106 1.00 24.97 N +ATOM 5745 CA ARG C 230 15.425 3.229 187.916 1.00 25.62 C +ATOM 5746 C ARG C 230 15.297 4.585 187.181 1.00 24.81 C +ATOM 5747 O ARG C 230 14.260 5.258 187.239 1.00 25.30 O +ATOM 5748 CB ARG C 230 16.248 3.390 189.243 1.00 24.26 C +ATOM 5749 CG ARG C 230 15.713 4.426 190.202 1.00 32.00 C +ATOM 5750 CD ARG C 230 16.402 4.420 191.590 1.00 30.26 C +ATOM 5751 NE ARG C 230 17.678 5.129 191.549 1.00 34.99 N +ATOM 5752 CZ ARG C 230 18.371 5.502 192.621 1.00 37.90 C +ATOM 5753 NH1 ARG C 230 17.922 5.262 193.852 1.00 31.96 N +ATOM 5754 NH2 ARG C 230 19.525 6.127 192.457 1.00 36.72 N +ATOM 5755 N TYR C 231 16.375 4.985 186.521 1.00 23.06 N +ATOM 5756 CA TYR C 231 16.428 6.251 185.800 1.00 22.79 C +ATOM 5757 C TYR C 231 15.570 6.254 184.544 1.00 21.80 C +ATOM 5758 O TYR C 231 14.907 7.245 184.266 1.00 24.42 O +ATOM 5759 CB TYR C 231 17.887 6.578 185.465 1.00 22.91 C +ATOM 5760 CG TYR C 231 18.152 7.888 184.763 1.00 24.53 C +ATOM 5761 CD1 TYR C 231 17.580 9.075 185.198 1.00 20.87 C +ATOM 5762 CD2 TYR C 231 19.026 7.946 183.698 1.00 21.02 C +ATOM 5763 CE1 TYR C 231 17.858 10.287 184.575 1.00 19.90 C +ATOM 5764 CE2 TYR C 231 19.301 9.162 183.050 1.00 21.27 C +ATOM 5765 CZ TYR C 231 18.717 10.320 183.497 1.00 21.93 C +ATOM 5766 OH TYR C 231 18.992 11.503 182.845 1.00 22.75 O +ATOM 5767 N VAL C 232 15.568 5.169 183.776 1.00 22.37 N +ATOM 5768 CA VAL C 232 14.785 5.176 182.522 1.00 22.20 C +ATOM 5769 C VAL C 232 13.276 5.114 182.766 1.00 23.14 C +ATOM 5770 O VAL C 232 12.519 5.622 181.953 1.00 23.27 O +ATOM 5771 CB VAL C 232 15.210 4.114 181.473 1.00 23.60 C +ATOM 5772 CG1 VAL C 232 16.697 4.190 181.201 1.00 21.73 C +ATOM 5773 CG2 VAL C 232 14.832 2.743 181.894 1.00 23.15 C +ATOM 5774 N LYS C 233 12.835 4.513 183.870 1.00 23.22 N +ATOM 5775 CA LYS C 233 11.393 4.412 184.145 1.00 25.14 C +ATOM 5776 C LYS C 233 10.648 5.745 184.000 1.00 22.50 C +ATOM 5777 O LYS C 233 9.729 5.815 183.201 1.00 23.45 O +ATOM 5778 CB LYS C 233 11.117 3.759 185.498 1.00 26.81 C +ATOM 5779 CG LYS C 233 9.638 3.570 185.838 1.00 30.50 C +ATOM 5780 CD LYS C 233 9.517 2.562 187.009 1.00 29.32 C +ATOM 5781 CE LYS C 233 8.098 2.498 187.546 1.00 34.73 C +ATOM 5782 NZ LYS C 233 7.108 2.065 186.550 1.00 26.42 N +ATOM 5783 N PRO C 234 11.058 6.808 184.737 1.00 21.76 N +ATOM 5784 CA PRO C 234 10.378 8.081 184.581 1.00 21.86 C +ATOM 5785 C PRO C 234 10.607 8.797 183.239 1.00 20.82 C +ATOM 5786 O PRO C 234 9.804 9.638 182.863 1.00 20.41 O +ATOM 5787 CB PRO C 234 10.913 8.916 185.770 1.00 21.20 C +ATOM 5788 CG PRO C 234 12.296 8.336 186.033 1.00 18.81 C +ATOM 5789 CD PRO C 234 12.116 6.882 185.771 1.00 22.90 C +ATOM 5790 N ILE C 235 11.723 8.512 182.559 1.00 21.85 N +ATOM 5791 CA ILE C 235 11.997 9.052 181.214 1.00 20.21 C +ATOM 5792 C ILE C 235 11.020 8.416 180.236 1.00 20.55 C +ATOM 5793 O ILE C 235 10.365 9.105 179.454 1.00 21.91 O +ATOM 5794 CB ILE C 235 13.444 8.772 180.783 1.00 21.92 C +ATOM 5795 CG1 ILE C 235 14.418 9.613 181.607 1.00 17.03 C +ATOM 5796 CG2 ILE C 235 13.643 9.039 179.281 1.00 19.20 C +ATOM 5797 CD1 ILE C 235 15.823 9.203 181.429 1.00 17.26 C +ATOM 5798 N VAL C 236 10.892 7.095 180.318 1.00 20.34 N +ATOM 5799 CA VAL C 236 9.949 6.348 179.461 1.00 20.31 C +ATOM 5800 C VAL C 236 8.493 6.828 179.659 1.00 21.53 C +ATOM 5801 O VAL C 236 7.764 6.991 178.682 1.00 21.72 O +ATOM 5802 CB VAL C 236 10.110 4.816 179.653 1.00 18.88 C +ATOM 5803 CG1 VAL C 236 8.932 4.069 179.097 1.00 15.81 C +ATOM 5804 CG2 VAL C 236 11.496 4.337 179.044 1.00 18.55 C +ATOM 5805 N GLU C 237 8.107 7.103 180.909 1.00 23.13 N +ATOM 5806 CA GLU C 237 6.753 7.616 181.226 1.00 22.99 C +ATOM 5807 C GLU C 237 6.499 9.023 180.725 1.00 21.58 C +ATOM 5808 O GLU C 237 5.407 9.335 180.227 1.00 21.92 O +ATOM 5809 CB GLU C 237 6.495 7.573 182.740 1.00 25.35 C +ATOM 5810 CG GLU C 237 4.976 7.567 183.108 1.00 32.41 C +ATOM 5811 CD GLU C 237 4.325 8.944 182.974 1.00 34.83 C +ATOM 5812 OE1 GLU C 237 5.012 9.956 183.202 1.00 42.17 O +ATOM 5813 OE2 GLU C 237 3.129 9.028 182.631 1.00 38.81 O +ATOM 5814 N LYS C 238 7.465 9.911 180.896 1.00 21.93 N +ATOM 5815 CA LYS C 238 7.302 11.294 180.409 1.00 23.34 C +ATOM 5816 C LYS C 238 7.192 11.347 178.884 1.00 22.05 C +ATOM 5817 O LYS C 238 6.368 12.066 178.338 1.00 21.91 O +ATOM 5818 CB LYS C 238 8.455 12.194 180.854 1.00 22.95 C +ATOM 5819 CG LYS C 238 8.308 12.818 182.218 1.00 28.88 C +ATOM 5820 CD LYS C 238 9.464 13.760 182.470 1.00 35.09 C +ATOM 5821 CE LYS C 238 9.524 14.215 183.910 1.00 44.08 C +ATOM 5822 NZ LYS C 238 8.185 14.619 184.391 1.00 47.86 N +ATOM 5823 N LEU C 239 8.068 10.606 178.215 1.00 22.18 N +ATOM 5824 CA LEU C 239 8.044 10.523 176.744 1.00 21.34 C +ATOM 5825 C LEU C 239 6.764 9.924 176.221 1.00 20.71 C +ATOM 5826 O LEU C 239 6.219 10.457 175.285 1.00 20.57 O +ATOM 5827 CB LEU C 239 9.222 9.726 176.223 1.00 20.13 C +ATOM 5828 CG LEU C 239 10.544 10.476 176.289 1.00 19.33 C +ATOM 5829 CD1 LEU C 239 11.651 9.506 175.945 1.00 19.52 C +ATOM 5830 CD2 LEU C 239 10.525 11.661 175.361 1.00 16.38 C +ATOM 5831 N ALA C 240 6.279 8.831 176.831 1.00 21.23 N +ATOM 5832 CA ALA C 240 4.966 8.253 176.482 1.00 20.57 C +ATOM 5833 C ALA C 240 3.869 9.283 176.594 1.00 20.43 C +ATOM 5834 O ALA C 240 3.031 9.396 175.714 1.00 22.54 O +ATOM 5835 CB ALA C 240 4.635 7.055 177.371 1.00 20.56 C +ATOM 5836 N GLY C 241 3.870 10.031 177.688 1.00 20.78 N +ATOM 5837 CA GLY C 241 2.933 11.112 177.858 1.00 21.28 C +ATOM 5838 C GLY C 241 3.016 12.206 176.804 1.00 21.80 C +ATOM 5839 O GLY C 241 1.978 12.698 176.383 1.00 22.04 O +ATOM 5840 N LEU C 242 4.226 12.585 176.392 1.00 20.71 N +ATOM 5841 CA LEU C 242 4.417 13.539 175.284 1.00 21.00 C +ATOM 5842 C LEU C 242 3.875 12.968 173.956 1.00 21.83 C +ATOM 5843 O LEU C 242 3.207 13.685 173.212 1.00 21.12 O +ATOM 5844 CB LEU C 242 5.895 13.960 175.136 1.00 19.35 C +ATOM 5845 CG LEU C 242 6.342 14.697 173.860 1.00 21.88 C +ATOM 5846 CD1 LEU C 242 5.701 16.071 173.811 1.00 20.68 C +ATOM 5847 CD2 LEU C 242 7.881 14.773 173.731 1.00 17.61 C +ATOM 5848 N PHE C 243 4.144 11.688 173.665 1.00 22.51 N +ATOM 5849 CA PHE C 243 3.618 11.080 172.437 1.00 23.01 C +ATOM 5850 C PHE C 243 2.082 11.143 172.409 1.00 23.87 C +ATOM 5851 O PHE C 243 1.496 11.415 171.366 1.00 24.75 O +ATOM 5852 CB PHE C 243 3.997 9.600 172.304 1.00 23.09 C +ATOM 5853 CG PHE C 243 5.473 9.301 172.283 1.00 23.24 C +ATOM 5854 CD1 PHE C 243 6.433 10.298 172.156 1.00 25.76 C +ATOM 5855 CD2 PHE C 243 5.890 7.978 172.355 1.00 23.65 C +ATOM 5856 CE1 PHE C 243 7.784 9.971 172.150 1.00 25.48 C +ATOM 5857 CE2 PHE C 243 7.246 7.647 172.333 1.00 22.15 C +ATOM 5858 CZ PHE C 243 8.183 8.639 172.233 1.00 24.31 C +ATOM 5859 N GLU C 244 1.444 10.831 173.539 1.00 23.61 N +ATOM 5860 CA GLU C 244 -0.025 10.837 173.657 1.00 24.40 C +ATOM 5861 C GLU C 244 -0.590 12.238 173.460 1.00 24.09 C +ATOM 5862 O GLU C 244 -1.572 12.415 172.763 1.00 25.57 O +ATOM 5863 CB GLU C 244 -0.494 10.307 175.030 1.00 22.50 C +ATOM 5864 CG GLU C 244 -0.202 8.852 175.269 1.00 25.50 C +ATOM 5865 CD GLU C 244 -0.161 8.467 176.736 1.00 27.72 C +ATOM 5866 OE1 GLU C 244 -0.100 9.348 177.620 1.00 32.94 O +ATOM 5867 OE2 GLU C 244 -0.191 7.258 177.012 1.00 31.61 O +ATOM 5868 N GLU C 245 0.030 13.228 174.069 1.00 24.63 N +ATOM 5869 CA GLU C 245 -0.399 14.618 173.893 1.00 25.28 C +ATOM 5870 C GLU C 245 -0.166 15.117 172.486 1.00 26.03 C +ATOM 5871 O GLU C 245 -0.986 15.853 171.976 1.00 26.95 O +ATOM 5872 CB GLU C 245 0.317 15.527 174.883 1.00 22.98 C +ATOM 5873 CG GLU C 245 -0.054 15.244 176.303 1.00 25.18 C +ATOM 5874 CD GLU C 245 0.906 15.814 177.302 1.00 30.05 C +ATOM 5875 OE1 GLU C 245 1.939 16.423 176.910 1.00 29.12 O +ATOM 5876 OE2 GLU C 245 0.626 15.630 178.495 1.00 32.97 O +HETATM 5877 N MSE C 246 0.975 14.760 171.883 1.00 26.16 N +HETATM 5878 CA MSE C 246 1.249 15.112 170.478 1.00 26.45 C +HETATM 5879 C MSE C 246 0.194 14.554 169.527 1.00 28.37 C +HETATM 5880 O MSE C 246 -0.252 15.252 168.592 1.00 28.93 O +HETATM 5881 CB MSE C 246 2.630 14.631 170.041 1.00 25.70 C +HETATM 5882 CG MSE C 246 3.721 15.502 170.519 1.00 26.81 C +HETATM 5883 SE MSE C 246 5.515 14.918 169.973 0.75 28.15 SE +HETATM 5884 CE MSE C 246 5.362 15.671 168.063 1.00 22.06 C +ATOM 5885 N ALA C 247 -0.206 13.309 169.790 1.00 29.85 N +ATOM 5886 CA ALA C 247 -1.223 12.614 169.002 1.00 30.72 C +ATOM 5887 C ALA C 247 -2.621 13.202 169.187 1.00 30.77 C +ATOM 5888 O ALA C 247 -3.422 13.164 168.270 1.00 31.62 O +ATOM 5889 CB ALA C 247 -1.251 11.119 169.352 1.00 27.86 C +ATOM 5890 N GLN C 248 -2.904 13.731 170.363 1.00 30.35 N +ATOM 5891 CA GLN C 248 -4.264 14.084 170.726 1.00 33.44 C +ATOM 5892 C GLN C 248 -4.567 15.565 170.675 1.00 33.58 C +ATOM 5893 O GLN C 248 -5.728 15.941 170.782 1.00 34.66 O +ATOM 5894 CB GLN C 248 -4.567 13.538 172.128 1.00 34.43 C +ATOM 5895 CG GLN C 248 -4.659 12.010 172.133 1.00 36.52 C +ATOM 5896 CD GLN C 248 -4.556 11.398 173.514 1.00 37.58 C +ATOM 5897 OE1 GLN C 248 -4.174 12.064 174.479 1.00 45.55 O +ATOM 5898 NE2 GLN C 248 -4.869 10.106 173.609 1.00 40.45 N +ATOM 5899 N HIS C 249 -3.544 16.404 170.528 1.00 33.11 N +ATOM 5900 CA HIS C 249 -3.723 17.853 170.511 1.00 32.92 C +ATOM 5901 C HIS C 249 -3.009 18.514 169.365 1.00 32.38 C +ATOM 5902 O HIS C 249 -1.925 18.096 168.964 1.00 33.15 O +ATOM 5903 CB HIS C 249 -3.212 18.469 171.819 1.00 33.94 C +ATOM 5904 CG HIS C 249 -4.024 18.083 173.015 1.00 36.41 C +ATOM 5905 ND1 HIS C 249 -5.241 18.664 173.302 1.00 39.51 N +ATOM 5906 CD2 HIS C 249 -3.813 17.147 173.971 1.00 35.88 C +ATOM 5907 CE1 HIS C 249 -5.741 18.107 174.393 1.00 42.78 C +ATOM 5908 NE2 HIS C 249 -4.891 17.186 174.818 1.00 40.67 N +ATOM 5909 N ASP C 250 -3.602 19.586 168.859 1.00 32.05 N +ATOM 5910 CA ASP C 250 -2.872 20.514 168.020 1.00 31.32 C +ATOM 5911 C ASP C 250 -1.839 21.246 168.888 1.00 28.30 C +ATOM 5912 O ASP C 250 -1.921 21.214 170.117 1.00 27.58 O +ATOM 5913 CB ASP C 250 -3.836 21.489 167.329 1.00 32.68 C +ATOM 5914 CG ASP C 250 -4.748 20.795 166.315 1.00 38.24 C +ATOM 5915 OD1 ASP C 250 -4.400 19.707 165.784 1.00 42.17 O +ATOM 5916 OD2 ASP C 250 -5.832 21.342 166.047 1.00 49.31 O +ATOM 5917 N LEU C 251 -0.847 21.869 168.250 1.00 26.46 N +ATOM 5918 CA LEU C 251 0.197 22.561 168.989 1.00 25.99 C +ATOM 5919 C LEU C 251 -0.392 23.684 169.843 1.00 25.69 C +ATOM 5920 O LEU C 251 -0.030 23.855 170.993 1.00 24.47 O +ATOM 5921 CB LEU C 251 1.241 23.116 168.044 1.00 25.02 C +ATOM 5922 CG LEU C 251 2.448 23.738 168.719 1.00 23.41 C +ATOM 5923 CD1 LEU C 251 3.140 22.735 169.732 1.00 19.12 C +ATOM 5924 CD2 LEU C 251 3.381 24.234 167.612 1.00 23.24 C +ATOM 5925 N TYR C 252 -1.302 24.427 169.250 1.00 27.10 N +ATOM 5926 CA TYR C 252 -2.137 25.415 169.933 1.00 28.52 C +ATOM 5927 C TYR C 252 -3.614 25.040 169.715 1.00 31.61 C +ATOM 5928 O TYR C 252 -3.978 24.488 168.677 1.00 31.20 O +ATOM 5929 CB TYR C 252 -1.857 26.805 169.375 1.00 27.88 C +ATOM 5930 CG TYR C 252 -0.469 27.302 169.664 1.00 25.17 C +ATOM 5931 CD1 TYR C 252 -0.190 27.999 170.851 1.00 23.91 C +ATOM 5932 CD2 TYR C 252 0.572 27.088 168.764 1.00 24.31 C +ATOM 5933 CE1 TYR C 252 1.087 28.469 171.133 1.00 25.35 C +ATOM 5934 CE2 TYR C 252 1.871 27.573 169.037 1.00 19.96 C +ATOM 5935 CZ TYR C 252 2.114 28.250 170.218 1.00 24.16 C +ATOM 5936 OH TYR C 252 3.359 28.717 170.518 1.00 25.03 O +ATOM 5937 N GLU C 253 -4.458 25.325 170.702 1.00 36.73 N +ATOM 5938 CA GLU C 253 -5.889 25.033 170.589 1.00 39.95 C +ATOM 5939 C GLU C 253 -6.702 26.174 171.214 1.00 44.41 C +ATOM 5940 O GLU C 253 -6.121 27.138 171.732 1.00 46.14 O +ATOM 5941 CB GLU C 253 -6.225 23.683 171.243 1.00 40.18 C +ATOM 5942 CG GLU C 253 -5.857 22.472 170.389 1.00 41.31 C +ATOM 5943 CD GLU C 253 -6.165 21.120 171.053 1.00 40.65 C +ATOM 5944 OE1 GLU C 253 -6.190 21.041 172.317 1.00 41.38 O +ATOM 5945 OE2 GLU C 253 -6.353 20.127 170.287 1.00 36.28 O +ATOM 5946 OXT GLU C 253 -7.942 26.167 171.199 1.00 45.04 O +TER 5947 GLU C 253 +HETATM 5948 N MSE D 1 28.864 -12.458 168.116 1.00 39.29 N +HETATM 5949 CA MSE D 1 29.254 -11.044 168.435 1.00 39.97 C +HETATM 5950 C MSE D 1 30.782 -10.872 168.379 1.00 37.55 C +HETATM 5951 O MSE D 1 31.504 -11.483 169.175 1.00 37.77 O +HETATM 5952 CB MSE D 1 28.755 -10.620 169.821 1.00 39.71 C +HETATM 5953 CG MSE D 1 29.380 -9.287 170.310 1.00 42.69 C +HETATM 5954 SE MSE D 1 28.886 -8.606 172.124 0.75 46.10 SE +HETATM 5955 CE MSE D 1 26.888 -8.767 171.790 1.00 42.27 C +ATOM 5956 N ASN D 2 31.265 -10.007 167.478 1.00 33.81 N +ATOM 5957 CA ASN D 2 32.701 -9.857 167.228 1.00 30.99 C +ATOM 5958 C ASN D 2 33.151 -8.415 167.278 1.00 29.66 C +ATOM 5959 O ASN D 2 33.130 -7.728 166.274 1.00 27.58 O +ATOM 5960 CB ASN D 2 33.081 -10.439 165.875 1.00 29.74 C +ATOM 5961 CG ASN D 2 34.582 -10.588 165.718 1.00 29.50 C +ATOM 5962 OD1 ASN D 2 35.358 -9.824 166.293 1.00 31.86 O +ATOM 5963 ND2 ASN D 2 34.998 -11.584 164.958 1.00 25.71 N +ATOM 5964 N LYS D 3 33.608 -7.989 168.446 1.00 28.68 N +ATOM 5965 CA LYS D 3 34.016 -6.613 168.660 1.00 30.01 C +ATOM 5966 C LYS D 3 35.255 -6.219 167.850 1.00 28.41 C +ATOM 5967 O LYS D 3 35.505 -5.043 167.666 1.00 27.88 O +ATOM 5968 CB LYS D 3 34.253 -6.347 170.156 1.00 30.09 C +ATOM 5969 CG LYS D 3 32.984 -6.385 170.992 1.00 32.12 C +ATOM 5970 CD LYS D 3 33.227 -5.819 172.383 1.00 31.79 C +ATOM 5971 CE LYS D 3 31.994 -5.931 173.287 1.00 36.72 C +ATOM 5972 NZ LYS D 3 32.188 -5.143 174.571 1.00 31.83 N +ATOM 5973 N GLU D 4 36.004 -7.193 167.359 1.00 27.56 N +ATOM 5974 CA GLU D 4 37.214 -6.919 166.610 1.00 27.58 C +ATOM 5975 C GLU D 4 36.950 -6.298 165.224 1.00 23.78 C +ATOM 5976 O GLU D 4 37.704 -5.447 164.796 1.00 24.87 O +ATOM 5977 CB GLU D 4 38.039 -8.205 166.464 1.00 27.43 C +ATOM 5978 CG GLU D 4 39.514 -7.942 166.166 1.00 32.57 C +ATOM 5979 CD GLU D 4 40.397 -9.203 166.186 1.00 33.56 C +ATOM 5980 OE1 GLU D 4 39.910 -10.291 166.601 1.00 40.89 O +ATOM 5981 OE2 GLU D 4 41.582 -9.087 165.785 1.00 31.63 O +ATOM 5982 N VAL D 5 35.892 -6.728 164.545 1.00 21.60 N +ATOM 5983 CA VAL D 5 35.629 -6.384 163.154 1.00 20.78 C +ATOM 5984 C VAL D 5 34.212 -5.820 162.903 1.00 20.64 C +ATOM 5985 O VAL D 5 33.898 -5.437 161.777 1.00 20.10 O +ATOM 5986 CB VAL D 5 35.855 -7.632 162.171 1.00 22.30 C +ATOM 5987 CG1 VAL D 5 37.294 -8.188 162.211 1.00 18.43 C +ATOM 5988 CG2 VAL D 5 34.854 -8.701 162.411 1.00 16.84 C +ATOM 5989 N ASP D 6 33.364 -5.750 163.937 1.00 19.78 N +ATOM 5990 CA ASP D 6 31.992 -5.241 163.766 1.00 19.56 C +ATOM 5991 C ASP D 6 31.750 -4.041 164.698 1.00 19.92 C +ATOM 5992 O ASP D 6 31.510 -4.226 165.899 1.00 20.56 O +ATOM 5993 CB ASP D 6 30.980 -6.354 164.046 1.00 17.80 C +ATOM 5994 CG ASP D 6 29.542 -5.900 163.891 1.00 19.81 C +ATOM 5995 OD1 ASP D 6 29.304 -4.797 163.343 1.00 25.65 O +ATOM 5996 OD2 ASP D 6 28.650 -6.655 164.296 1.00 22.45 O +ATOM 5997 N LEU D 7 31.816 -2.824 164.152 1.00 18.79 N +ATOM 5998 CA LEU D 7 31.736 -1.612 164.971 1.00 19.80 C +ATOM 5999 C LEU D 7 30.411 -1.447 165.702 1.00 20.60 C +ATOM 6000 O LEU D 7 30.359 -0.773 166.728 1.00 22.26 O +ATOM 6001 CB LEU D 7 32.034 -0.332 164.162 1.00 19.16 C +ATOM 6002 CG LEU D 7 32.517 0.843 165.005 1.00 15.29 C +ATOM 6003 CD1 LEU D 7 34.069 0.676 165.281 1.00 13.21 C +ATOM 6004 CD2 LEU D 7 32.231 2.216 164.370 1.00 17.38 C +ATOM 6005 N SER D 8 29.347 -2.051 165.176 1.00 21.14 N +ATOM 6006 CA SER D 8 28.012 -1.938 165.744 1.00 21.87 C +ATOM 6007 C SER D 8 27.927 -2.524 167.152 1.00 22.70 C +ATOM 6008 O SER D 8 27.003 -2.189 167.906 1.00 23.20 O +ATOM 6009 CB SER D 8 26.974 -2.613 164.840 1.00 22.13 C +ATOM 6010 OG SER D 8 26.872 -1.960 163.594 1.00 24.40 O +ATOM 6011 N VAL D 9 28.867 -3.416 167.478 1.00 22.34 N +ATOM 6012 CA VAL D 9 28.975 -4.006 168.816 1.00 22.73 C +ATOM 6013 C VAL D 9 30.315 -3.679 169.523 1.00 23.79 C +ATOM 6014 O VAL D 9 30.488 -4.001 170.691 1.00 27.25 O +ATOM 6015 CB VAL D 9 28.763 -5.566 168.803 1.00 22.03 C +ATOM 6016 CG1 VAL D 9 27.312 -5.955 168.432 1.00 19.83 C +ATOM 6017 CG2 VAL D 9 29.731 -6.214 167.930 1.00 18.06 C +ATOM 6018 N SER D 10 31.235 -3.009 168.837 1.00 22.77 N +ATOM 6019 CA SER D 10 32.584 -2.785 169.371 1.00 21.85 C +ATOM 6020 C SER D 10 32.651 -1.594 170.324 1.00 23.10 C +ATOM 6021 O SER D 10 31.688 -0.822 170.450 1.00 22.33 O +ATOM 6022 CB SER D 10 33.586 -2.571 168.236 1.00 22.68 C +ATOM 6023 OG SER D 10 34.930 -2.594 168.739 1.00 26.86 O +ATOM 6024 N CYS D 11 33.807 -1.479 170.991 1.00 23.05 N +ATOM 6025 CA CYS D 11 34.102 -0.398 171.904 1.00 23.22 C +ATOM 6026 C CYS D 11 35.569 -0.047 171.752 1.00 23.26 C +ATOM 6027 O CYS D 11 36.358 -0.868 171.296 1.00 24.11 O +ATOM 6028 CB CYS D 11 33.826 -0.828 173.341 1.00 24.70 C +ATOM 6029 SG CYS D 11 34.750 -2.258 173.875 1.00 26.10 S +ATOM 6030 N LEU D 12 35.937 1.157 172.157 1.00 23.67 N +ATOM 6031 CA LEU D 12 37.303 1.662 171.946 1.00 23.97 C +ATOM 6032 C LEU D 12 38.374 0.759 172.548 1.00 25.61 C +ATOM 6033 O LEU D 12 39.449 0.552 171.941 1.00 26.04 O +ATOM 6034 CB LEU D 12 37.422 3.096 172.497 1.00 23.78 C +ATOM 6035 CG LEU D 12 38.768 3.843 172.388 1.00 25.21 C +ATOM 6036 CD1 LEU D 12 39.152 4.006 170.916 1.00 22.19 C +ATOM 6037 CD2 LEU D 12 38.740 5.218 173.093 1.00 23.32 C +ATOM 6038 N GLY D 13 38.091 0.241 173.740 1.00 26.13 N +ATOM 6039 CA GLY D 13 39.013 -0.634 174.433 1.00 26.89 C +ATOM 6040 C GLY D 13 39.442 -1.836 173.625 1.00 28.20 C +ATOM 6041 O GLY D 13 40.602 -2.247 173.707 1.00 28.73 O +ATOM 6042 N LYS D 14 38.526 -2.405 172.844 1.00 28.78 N +ATOM 6043 CA LYS D 14 38.838 -3.571 171.980 1.00 30.25 C +ATOM 6044 C LYS D 14 39.710 -3.201 170.746 1.00 31.11 C +ATOM 6045 O LYS D 14 40.547 -3.993 170.308 1.00 35.15 O +ATOM 6046 CB LYS D 14 37.560 -4.283 171.518 1.00 26.21 C +ATOM 6047 N VAL D 15 39.520 -1.999 170.206 1.00 29.51 N +ATOM 6048 CA VAL D 15 40.102 -1.656 168.917 1.00 28.46 C +ATOM 6049 C VAL D 15 41.369 -0.808 168.993 1.00 29.29 C +ATOM 6050 O VAL D 15 42.154 -0.822 168.054 1.00 27.24 O +ATOM 6051 CB VAL D 15 39.063 -0.974 168.008 1.00 28.08 C +ATOM 6052 CG1 VAL D 15 37.762 -1.803 167.987 1.00 27.88 C +ATOM 6053 CG2 VAL D 15 38.810 0.479 168.424 1.00 26.43 C +ATOM 6054 N LYS D 16 41.590 -0.096 170.102 1.00 30.76 N +ATOM 6055 CA LYS D 16 42.536 1.020 170.080 1.00 34.76 C +ATOM 6056 C LYS D 16 44.004 0.638 169.844 1.00 35.11 C +ATOM 6057 O LYS D 16 44.799 1.466 169.376 1.00 35.32 O +ATOM 6058 CB LYS D 16 42.381 1.921 171.328 1.00 35.67 C +ATOM 6059 CG LYS D 16 43.035 1.459 172.634 1.00 37.34 C +ATOM 6060 CD LYS D 16 43.230 2.688 173.579 1.00 40.88 C +ATOM 6061 CE LYS D 16 44.115 2.367 174.819 1.00 51.00 C +ATOM 6062 NZ LYS D 16 43.339 1.816 175.994 1.00 56.32 N +ATOM 6063 N GLU D 17 44.338 -0.611 170.139 1.00 36.05 N +ATOM 6064 CA GLU D 17 45.697 -1.097 170.006 1.00 39.83 C +ATOM 6065 C GLU D 17 45.890 -2.003 168.763 1.00 38.59 C +ATOM 6066 O GLU D 17 46.984 -2.541 168.537 1.00 39.17 O +ATOM 6067 CB GLU D 17 46.105 -1.799 171.314 1.00 42.14 C +ATOM 6068 CG GLU D 17 45.421 -3.155 171.636 1.00 50.43 C +ATOM 6069 CD GLU D 17 43.894 -3.097 171.839 1.00 56.56 C +ATOM 6070 OE1 GLU D 17 43.298 -2.002 171.755 1.00 60.05 O +ATOM 6071 OE2 GLU D 17 43.292 -4.174 172.074 1.00 60.04 O +ATOM 6072 N LEU D 18 44.830 -2.165 167.964 1.00 35.43 N +ATOM 6073 CA LEU D 18 44.891 -3.025 166.793 1.00 32.98 C +ATOM 6074 C LEU D 18 45.090 -2.236 165.514 1.00 31.75 C +ATOM 6075 O LEU D 18 44.499 -1.173 165.318 1.00 32.02 O +ATOM 6076 CB LEU D 18 43.627 -3.881 166.675 1.00 32.86 C +ATOM 6077 CG LEU D 18 43.294 -4.775 167.857 1.00 31.07 C +ATOM 6078 CD1 LEU D 18 42.140 -5.699 167.469 1.00 25.44 C +ATOM 6079 CD2 LEU D 18 44.532 -5.579 168.299 1.00 30.54 C +ATOM 6080 N LYS D 19 45.890 -2.811 164.616 1.00 30.75 N +ATOM 6081 CA LYS D 19 46.060 -2.289 163.267 1.00 29.60 C +ATOM 6082 C LYS D 19 44.896 -2.707 162.394 1.00 26.70 C +ATOM 6083 O LYS D 19 44.646 -3.878 162.232 1.00 24.36 O +ATOM 6084 CB LYS D 19 47.346 -2.857 162.649 1.00 29.84 C +ATOM 6085 CG LYS D 19 47.646 -2.388 161.203 1.00 39.13 C +ATOM 6086 CD LYS D 19 48.226 -0.984 161.138 1.00 46.16 C +ATOM 6087 CE LYS D 19 48.663 -0.610 159.724 1.00 52.05 C +ATOM 6088 NZ LYS D 19 47.551 -0.396 158.745 1.00 55.48 N +ATOM 6089 N TYR D 20 44.230 -1.749 161.777 1.00 25.17 N +ATOM 6090 CA TYR D 20 43.210 -2.044 160.791 1.00 24.24 C +ATOM 6091 C TYR D 20 43.736 -1.704 159.404 1.00 23.86 C +ATOM 6092 O TYR D 20 44.350 -0.655 159.211 1.00 25.71 O +ATOM 6093 CB TYR D 20 41.908 -1.313 161.132 1.00 20.87 C +ATOM 6094 CG TYR D 20 41.222 -1.947 162.310 1.00 20.55 C +ATOM 6095 CD1 TYR D 20 41.544 -1.587 163.593 1.00 19.62 C +ATOM 6096 CD2 TYR D 20 40.303 -2.962 162.135 1.00 20.37 C +ATOM 6097 CE1 TYR D 20 40.954 -2.186 164.671 1.00 19.53 C +ATOM 6098 CE2 TYR D 20 39.707 -3.578 163.213 1.00 18.55 C +ATOM 6099 CZ TYR D 20 40.034 -3.176 164.487 1.00 20.38 C +ATOM 6100 OH TYR D 20 39.456 -3.801 165.581 1.00 20.15 O +ATOM 6101 N ASP D 21 43.478 -2.597 158.454 1.00 24.59 N +ATOM 6102 CA ASP D 21 43.975 -2.500 157.071 1.00 25.88 C +ATOM 6103 C ASP D 21 42.951 -1.891 156.090 1.00 26.13 C +ATOM 6104 O ASP D 21 43.276 -0.999 155.276 1.00 27.20 O +ATOM 6105 CB ASP D 21 44.350 -3.902 156.602 1.00 25.92 C +ATOM 6106 CG ASP D 21 45.521 -4.492 157.394 1.00 31.24 C +ATOM 6107 OD1 ASP D 21 46.603 -3.884 157.316 1.00 35.60 O +ATOM 6108 OD2 ASP D 21 45.366 -5.555 158.060 1.00 32.51 O +ATOM 6109 N VAL D 22 41.719 -2.382 156.149 1.00 24.11 N +ATOM 6110 CA VAL D 22 40.677 -1.914 155.233 1.00 22.65 C +ATOM 6111 C VAL D 22 39.404 -1.654 156.026 1.00 21.78 C +ATOM 6112 O VAL D 22 39.124 -2.372 156.979 1.00 19.86 O +ATOM 6113 CB VAL D 22 40.439 -2.952 154.158 1.00 23.85 C +ATOM 6114 CG1 VAL D 22 39.430 -2.452 153.123 1.00 20.86 C +ATOM 6115 CG2 VAL D 22 41.809 -3.395 153.530 1.00 19.62 C +ATOM 6116 N ILE D 23 38.677 -0.593 155.650 1.00 20.02 N +ATOM 6117 CA ILE D 23 37.395 -0.245 156.225 1.00 18.09 C +ATOM 6118 C ILE D 23 36.311 -0.673 155.247 1.00 18.11 C +ATOM 6119 O ILE D 23 36.462 -0.493 154.031 1.00 18.52 O +ATOM 6120 CB ILE D 23 37.285 1.275 156.490 1.00 18.52 C +ATOM 6121 CG1 ILE D 23 38.481 1.800 157.291 1.00 18.49 C +ATOM 6122 CG2 ILE D 23 35.924 1.650 157.165 1.00 13.16 C +ATOM 6123 CD1 ILE D 23 38.760 1.098 158.636 1.00 21.41 C +ATOM 6124 N ILE D 24 35.251 -1.300 155.770 1.00 17.68 N +ATOM 6125 CA ILE D 24 34.093 -1.754 154.979 1.00 18.36 C +ATOM 6126 C ILE D 24 32.878 -0.951 155.440 1.00 16.74 C +ATOM 6127 O ILE D 24 32.557 -0.926 156.619 1.00 16.80 O +ATOM 6128 CB ILE D 24 33.788 -3.292 155.175 1.00 18.47 C +ATOM 6129 CG1 ILE D 24 35.081 -4.129 155.125 1.00 21.90 C +ATOM 6130 CG2 ILE D 24 32.795 -3.782 154.149 1.00 14.40 C +ATOM 6131 CD1 ILE D 24 35.899 -3.909 153.850 1.00 26.94 C +ATOM 6132 N LEU D 25 32.235 -0.276 154.501 1.00 17.31 N +ATOM 6133 CA LEU D 25 31.063 0.538 154.776 1.00 17.56 C +ATOM 6134 C LEU D 25 29.823 -0.110 154.176 1.00 18.00 C +ATOM 6135 O LEU D 25 29.583 0.013 152.985 1.00 19.04 O +ATOM 6136 CB LEU D 25 31.266 1.962 154.211 1.00 17.82 C +ATOM 6137 CG LEU D 25 30.111 2.961 154.392 1.00 15.86 C +ATOM 6138 CD1 LEU D 25 29.737 3.176 155.908 1.00 13.33 C +ATOM 6139 CD2 LEU D 25 30.446 4.284 153.692 1.00 14.71 C +ATOM 6140 N PRO D 26 29.015 -0.817 154.998 1.00 18.87 N +ATOM 6141 CA PRO D 26 27.747 -1.283 154.440 1.00 18.29 C +ATOM 6142 C PRO D 26 26.786 -0.135 154.166 1.00 18.67 C +ATOM 6143 O PRO D 26 26.638 0.772 154.992 1.00 19.12 O +ATOM 6144 CB PRO D 26 27.196 -2.246 155.514 1.00 19.88 C +ATOM 6145 CG PRO D 26 28.341 -2.523 156.425 1.00 18.75 C +ATOM 6146 CD PRO D 26 29.174 -1.249 156.395 1.00 19.33 C +ATOM 6147 N TRP D 27 26.161 -0.135 152.998 1.00 18.06 N +ATOM 6148 CA TRP D 27 25.273 0.945 152.655 1.00 17.55 C +ATOM 6149 C TRP D 27 23.988 0.372 152.132 1.00 16.33 C +ATOM 6150 O TRP D 27 23.953 -0.274 151.092 1.00 16.37 O +ATOM 6151 CB TRP D 27 25.914 1.900 151.642 1.00 16.60 C +ATOM 6152 CG TRP D 27 25.314 3.260 151.605 1.00 13.58 C +ATOM 6153 CD1 TRP D 27 23.973 3.595 151.516 1.00 14.83 C +ATOM 6154 CD2 TRP D 27 26.034 4.509 151.642 1.00 13.78 C +ATOM 6155 NE1 TRP D 27 23.826 4.959 151.491 1.00 14.01 N +ATOM 6156 CE2 TRP D 27 25.076 5.545 151.573 1.00 17.03 C +ATOM 6157 CE3 TRP D 27 27.382 4.837 151.745 1.00 14.81 C +ATOM 6158 CZ2 TRP D 27 25.434 6.887 151.580 1.00 16.00 C +ATOM 6159 CZ3 TRP D 27 27.739 6.158 151.746 1.00 16.79 C +ATOM 6160 CH2 TRP D 27 26.763 7.180 151.690 1.00 17.29 C +ATOM 6161 N GLY D 28 22.925 0.643 152.879 1.00 16.27 N +ATOM 6162 CA GLY D 28 21.626 0.060 152.618 1.00 16.74 C +ATOM 6163 C GLY D 28 20.597 1.066 152.233 1.00 16.90 C +ATOM 6164 O GLY D 28 20.885 1.973 151.462 1.00 16.34 O +ATOM 6165 N ALA D 29 19.391 0.845 152.761 1.00 17.44 N +ATOM 6166 CA ALA D 29 18.185 1.608 152.486 1.00 16.81 C +ATOM 6167 C ALA D 29 17.148 1.294 153.564 1.00 17.55 C +ATOM 6168 O ALA D 29 17.194 0.232 154.194 1.00 17.94 O +ATOM 6169 CB ALA D 29 17.600 1.301 151.088 1.00 13.72 C +ATOM 6170 N THR D 30 16.236 2.238 153.781 1.00 18.24 N +ATOM 6171 CA THR D 30 15.027 2.009 154.587 1.00 18.58 C +ATOM 6172 C THR D 30 13.848 1.881 153.614 1.00 19.68 C +ATOM 6173 O THR D 30 13.366 2.881 153.107 1.00 18.61 O +ATOM 6174 CB THR D 30 14.818 3.170 155.558 1.00 17.92 C +ATOM 6175 OG1 THR D 30 16.029 3.345 156.299 1.00 18.82 O +ATOM 6176 CG2 THR D 30 13.643 2.897 156.493 1.00 15.40 C +ATOM 6177 N GLU D 31 13.425 0.644 153.352 1.00 20.26 N +ATOM 6178 CA GLU D 31 12.613 0.335 152.181 1.00 20.38 C +ATOM 6179 C GLU D 31 11.707 -0.878 152.370 1.00 20.63 C +ATOM 6180 O GLU D 31 12.169 -1.929 152.750 1.00 21.21 O +ATOM 6181 CB GLU D 31 13.553 0.062 151.017 1.00 20.03 C +ATOM 6182 CG GLU D 31 12.878 -0.169 149.689 1.00 20.06 C +ATOM 6183 CD GLU D 31 13.848 -0.593 148.584 1.00 25.26 C +ATOM 6184 OE1 GLU D 31 14.958 -1.045 148.918 1.00 21.52 O +ATOM 6185 OE2 GLU D 31 13.488 -0.483 147.386 1.00 26.14 O +ATOM 6186 N PRO D 32 10.410 -0.755 152.054 1.00 22.35 N +ATOM 6187 CA PRO D 32 9.570 -1.944 152.083 1.00 22.12 C +ATOM 6188 C PRO D 32 10.081 -3.039 151.143 1.00 21.41 C +ATOM 6189 O PRO D 32 10.438 -2.755 150.010 1.00 20.53 O +ATOM 6190 CB PRO D 32 8.208 -1.424 151.602 1.00 20.34 C +ATOM 6191 CG PRO D 32 8.196 -0.033 151.934 1.00 22.79 C +ATOM 6192 CD PRO D 32 9.615 0.441 151.712 1.00 22.13 C +ATOM 6193 N HIS D 33 10.070 -4.276 151.622 1.00 20.47 N +ATOM 6194 CA HIS D 33 10.587 -5.439 150.904 1.00 19.86 C +ATOM 6195 C HIS D 33 9.485 -6.501 150.845 1.00 20.38 C +ATOM 6196 O HIS D 33 9.510 -7.444 151.622 1.00 18.43 O +ATOM 6197 CB HIS D 33 11.837 -6.016 151.614 1.00 18.19 C +ATOM 6198 CG HIS D 33 13.134 -5.401 151.187 1.00 15.52 C +ATOM 6199 ND1 HIS D 33 13.562 -4.167 151.621 1.00 14.03 N +ATOM 6200 CD2 HIS D 33 14.104 -5.869 150.373 1.00 17.98 C +ATOM 6201 CE1 HIS D 33 14.723 -3.888 151.063 1.00 19.15 C +ATOM 6202 NE2 HIS D 33 15.075 -4.905 150.302 1.00 17.07 N +ATOM 6203 N ASN D 34 8.534 -6.351 149.913 1.00 21.32 N +ATOM 6204 CA ASN D 34 7.357 -7.231 149.869 1.00 22.21 C +ATOM 6205 C ASN D 34 6.698 -7.058 151.240 1.00 23.42 C +ATOM 6206 O ASN D 34 6.925 -6.025 151.874 1.00 23.84 O +ATOM 6207 CB ASN D 34 7.761 -8.684 149.519 1.00 21.20 C +ATOM 6208 CG ASN D 34 6.584 -9.555 149.032 1.00 19.75 C +ATOM 6209 OD1 ASN D 34 5.493 -9.543 149.615 1.00 19.59 O +ATOM 6210 ND2 ASN D 34 6.822 -10.333 147.983 1.00 19.98 N +ATOM 6211 N LEU D 35 5.874 -8.013 151.685 1.00 24.05 N +ATOM 6212 CA LEU D 35 5.166 -7.915 152.980 1.00 22.99 C +ATOM 6213 C LEU D 35 5.987 -8.470 154.130 1.00 22.06 C +ATOM 6214 O LEU D 35 5.761 -8.099 155.261 1.00 24.29 O +ATOM 6215 CB LEU D 35 3.821 -8.668 152.903 1.00 23.02 C +ATOM 6216 CG LEU D 35 2.844 -8.162 151.819 1.00 24.97 C +ATOM 6217 CD1 LEU D 35 1.677 -9.102 151.626 1.00 23.67 C +ATOM 6218 CD2 LEU D 35 2.358 -6.751 152.126 1.00 20.72 C +ATOM 6219 N HIS D 36 6.976 -9.311 153.830 1.00 22.03 N +ATOM 6220 CA HIS D 36 7.572 -10.215 154.812 1.00 21.94 C +ATOM 6221 C HIS D 36 8.990 -9.887 155.289 1.00 22.10 C +ATOM 6222 O HIS D 36 9.382 -10.327 156.349 1.00 22.79 O +ATOM 6223 CB HIS D 36 7.564 -11.651 154.277 1.00 21.77 C +ATOM 6224 CG HIS D 36 8.443 -11.861 153.081 1.00 20.32 C +ATOM 6225 ND1 HIS D 36 8.271 -11.174 151.901 1.00 17.20 N +ATOM 6226 CD2 HIS D 36 9.490 -12.694 152.880 1.00 17.52 C +ATOM 6227 CE1 HIS D 36 9.198 -11.552 151.038 1.00 22.97 C +ATOM 6228 NE2 HIS D 36 9.933 -12.495 151.598 1.00 17.68 N +ATOM 6229 N LEU D 37 9.753 -9.144 154.505 1.00 21.21 N +ATOM 6230 CA LEU D 37 11.166 -8.891 154.805 1.00 20.21 C +ATOM 6231 C LEU D 37 11.310 -7.535 155.501 1.00 19.84 C +ATOM 6232 O LEU D 37 10.473 -6.629 155.304 1.00 19.40 O +ATOM 6233 CB LEU D 37 12.022 -8.917 153.528 1.00 19.05 C +ATOM 6234 CG LEU D 37 12.489 -10.260 152.978 1.00 18.65 C +ATOM 6235 CD1 LEU D 37 13.199 -10.068 151.613 1.00 14.72 C +ATOM 6236 CD2 LEU D 37 13.411 -10.956 154.006 1.00 19.64 C +ATOM 6237 N PRO D 38 12.355 -7.392 156.339 1.00 20.86 N +ATOM 6238 CA PRO D 38 12.500 -6.156 157.074 1.00 20.50 C +ATOM 6239 C PRO D 38 12.769 -4.927 156.212 1.00 19.58 C +ATOM 6240 O PRO D 38 13.398 -5.029 155.141 1.00 18.48 O +ATOM 6241 CB PRO D 38 13.693 -6.442 157.987 1.00 20.56 C +ATOM 6242 CG PRO D 38 13.887 -7.882 157.960 1.00 19.35 C +ATOM 6243 CD PRO D 38 13.393 -8.368 156.709 1.00 19.01 C +ATOM 6244 N TYR D 39 12.324 -3.776 156.719 1.00 19.22 N +ATOM 6245 CA TYR D 39 12.594 -2.484 156.124 1.00 18.72 C +ATOM 6246 C TYR D 39 14.114 -2.253 156.000 1.00 18.28 C +ATOM 6247 O TYR D 39 14.562 -1.538 155.111 1.00 18.48 O +ATOM 6248 CB TYR D 39 11.963 -1.364 156.981 1.00 18.61 C +ATOM 6249 CG TYR D 39 10.536 -0.985 156.635 1.00 18.58 C +ATOM 6250 CD1 TYR D 39 9.474 -1.691 157.142 1.00 16.07 C +ATOM 6251 CD2 TYR D 39 10.254 0.123 155.830 1.00 17.47 C +ATOM 6252 CE1 TYR D 39 8.161 -1.330 156.846 1.00 19.61 C +ATOM 6253 CE2 TYR D 39 8.942 0.496 155.541 1.00 20.42 C +ATOM 6254 CZ TYR D 39 7.903 -0.242 156.043 1.00 17.47 C +ATOM 6255 OH TYR D 39 6.607 0.109 155.777 1.00 20.61 O +ATOM 6256 N LEU D 40 14.895 -2.844 156.905 1.00 18.46 N +ATOM 6257 CA LEU D 40 16.373 -2.675 156.895 1.00 17.58 C +ATOM 6258 C LEU D 40 17.146 -3.803 156.216 1.00 17.52 C +ATOM 6259 O LEU D 40 18.354 -3.875 156.366 1.00 17.80 O +ATOM 6260 CB LEU D 40 16.901 -2.430 158.321 1.00 17.23 C +ATOM 6261 CG LEU D 40 16.487 -1.074 158.937 1.00 17.56 C +ATOM 6262 CD1 LEU D 40 17.085 -0.960 160.275 1.00 18.46 C +ATOM 6263 CD2 LEU D 40 16.943 0.066 158.099 1.00 17.60 C +ATOM 6264 N THR D 41 16.460 -4.624 155.420 1.00 18.66 N +ATOM 6265 CA THR D 41 17.076 -5.745 154.690 1.00 18.04 C +ATOM 6266 C THR D 41 18.369 -5.379 153.967 1.00 18.55 C +ATOM 6267 O THR D 41 19.350 -6.089 154.081 1.00 18.14 O +ATOM 6268 CB THR D 41 16.122 -6.317 153.629 1.00 19.16 C +ATOM 6269 OG1 THR D 41 15.017 -6.958 154.251 1.00 15.87 O +ATOM 6270 CG2 THR D 41 16.843 -7.325 152.683 1.00 14.49 C +ATOM 6271 N ASP D 42 18.367 -4.240 153.277 1.00 18.93 N +ATOM 6272 CA ASP D 42 19.524 -3.786 152.495 1.00 18.06 C +ATOM 6273 C ASP D 42 20.700 -3.276 153.311 1.00 18.43 C +ATOM 6274 O ASP D 42 21.774 -3.121 152.748 1.00 17.74 O +ATOM 6275 CB ASP D 42 19.146 -2.684 151.517 1.00 18.85 C +ATOM 6276 CG ASP D 42 18.225 -3.143 150.468 1.00 19.40 C +ATOM 6277 OD1 ASP D 42 17.945 -4.375 150.426 1.00 17.77 O +ATOM 6278 OD2 ASP D 42 17.802 -2.263 149.674 1.00 18.92 O +ATOM 6279 N CYS D 43 20.477 -2.992 154.601 1.00 18.37 N +ATOM 6280 CA CYS D 43 21.535 -2.723 155.564 1.00 19.69 C +ATOM 6281 C CYS D 43 22.029 -3.993 156.252 1.00 19.26 C +ATOM 6282 O CYS D 43 23.224 -4.214 156.403 1.00 19.09 O +ATOM 6283 CB CYS D 43 21.028 -1.798 156.667 1.00 20.65 C +ATOM 6284 SG CYS D 43 20.760 -0.095 156.229 1.00 26.09 S +ATOM 6285 N ILE D 44 21.094 -4.799 156.727 1.00 18.60 N +ATOM 6286 CA ILE D 44 21.420 -6.010 157.480 1.00 18.64 C +ATOM 6287 C ILE D 44 22.241 -6.985 156.632 1.00 19.21 C +ATOM 6288 O ILE D 44 23.244 -7.506 157.102 1.00 20.35 O +ATOM 6289 CB ILE D 44 20.118 -6.716 157.953 1.00 17.52 C +ATOM 6290 CG1 ILE D 44 19.292 -5.798 158.897 1.00 20.34 C +ATOM 6291 CG2 ILE D 44 20.425 -8.069 158.585 1.00 16.96 C +ATOM 6292 CD1 ILE D 44 17.881 -6.308 159.162 1.00 14.17 C +ATOM 6293 N LEU D 45 21.838 -7.233 155.381 1.00 18.81 N +ATOM 6294 CA LEU D 45 22.509 -8.267 154.568 1.00 18.88 C +ATOM 6295 C LEU D 45 23.986 -7.984 154.238 1.00 18.53 C +ATOM 6296 O LEU D 45 24.841 -8.827 154.536 1.00 17.92 O +ATOM 6297 CB LEU D 45 21.693 -8.634 153.305 1.00 18.85 C +ATOM 6298 CG LEU D 45 20.349 -9.337 153.636 1.00 19.21 C +ATOM 6299 CD1 LEU D 45 19.617 -9.847 152.429 1.00 15.35 C +ATOM 6300 CD2 LEU D 45 20.520 -10.467 154.639 1.00 15.50 C +ATOM 6301 N PRO D 46 24.295 -6.795 153.658 1.00 18.49 N +ATOM 6302 CA PRO D 46 25.699 -6.500 153.447 1.00 18.13 C +ATOM 6303 C PRO D 46 26.493 -6.368 154.748 1.00 18.53 C +ATOM 6304 O PRO D 46 27.700 -6.584 154.740 1.00 20.35 O +ATOM 6305 CB PRO D 46 25.679 -5.177 152.664 1.00 18.82 C +ATOM 6306 CG PRO D 46 24.357 -4.551 152.938 1.00 17.49 C +ATOM 6307 CD PRO D 46 23.415 -5.704 153.173 1.00 19.90 C +ATOM 6308 N HIS D 47 25.827 -6.012 155.851 1.00 19.56 N +ATOM 6309 CA HIS D 47 26.510 -5.957 157.145 1.00 20.86 C +ATOM 6310 C HIS D 47 27.008 -7.332 157.583 1.00 19.44 C +ATOM 6311 O HIS D 47 28.168 -7.480 157.943 1.00 19.00 O +ATOM 6312 CB HIS D 47 25.627 -5.362 158.229 1.00 20.22 C +ATOM 6313 CG HIS D 47 26.238 -5.435 159.602 1.00 21.42 C +ATOM 6314 ND1 HIS D 47 26.071 -6.516 160.437 1.00 22.52 N +ATOM 6315 CD2 HIS D 47 27.046 -4.579 160.260 1.00 23.32 C +ATOM 6316 CE1 HIS D 47 26.744 -6.319 161.550 1.00 21.93 C +ATOM 6317 NE2 HIS D 47 27.341 -5.148 161.471 1.00 25.70 N +ATOM 6318 N ASP D 48 26.123 -8.317 157.529 1.00 20.51 N +ATOM 6319 CA ASP D 48 26.395 -9.668 157.971 1.00 21.01 C +ATOM 6320 C ASP D 48 27.367 -10.378 157.069 1.00 20.22 C +ATOM 6321 O ASP D 48 28.323 -10.977 157.532 1.00 21.15 O +ATOM 6322 CB ASP D 48 25.073 -10.446 158.089 1.00 23.44 C +ATOM 6323 CG ASP D 48 24.214 -9.963 159.254 1.00 23.24 C +ATOM 6324 OD1 ASP D 48 24.516 -8.911 159.868 1.00 31.29 O +ATOM 6325 OD2 ASP D 48 23.225 -10.631 159.529 1.00 27.17 O +ATOM 6326 N ILE D 49 27.179 -10.226 155.770 1.00 20.05 N +ATOM 6327 CA ILE D 49 28.159 -10.719 154.771 1.00 18.46 C +ATOM 6328 C ILE D 49 29.557 -10.074 154.965 1.00 19.17 C +ATOM 6329 O ILE D 49 30.597 -10.759 154.949 1.00 19.84 O +ATOM 6330 CB ILE D 49 27.623 -10.448 153.347 1.00 17.82 C +ATOM 6331 CG1 ILE D 49 26.381 -11.313 153.089 1.00 17.58 C +ATOM 6332 CG2 ILE D 49 28.701 -10.693 152.259 1.00 17.75 C +ATOM 6333 CD1 ILE D 49 25.804 -11.141 151.698 1.00 16.12 C +ATOM 6334 N ALA D 50 29.592 -8.763 155.178 1.00 19.65 N +ATOM 6335 CA ALA D 50 30.891 -8.078 155.421 1.00 19.45 C +ATOM 6336 C ALA D 50 31.612 -8.584 156.683 1.00 19.14 C +ATOM 6337 O ALA D 50 32.856 -8.769 156.686 1.00 19.43 O +ATOM 6338 CB ALA D 50 30.723 -6.551 155.478 1.00 15.32 C +ATOM 6339 N VAL D 51 30.851 -8.781 157.754 1.00 19.30 N +ATOM 6340 CA VAL D 51 31.438 -9.265 158.992 1.00 20.32 C +ATOM 6341 C VAL D 51 32.034 -10.666 158.757 1.00 20.64 C +ATOM 6342 O VAL D 51 33.161 -10.930 159.167 1.00 20.74 O +ATOM 6343 CB VAL D 51 30.470 -9.126 160.218 1.00 21.23 C +ATOM 6344 CG1 VAL D 51 31.014 -9.845 161.430 1.00 19.31 C +ATOM 6345 CG2 VAL D 51 30.234 -7.607 160.566 1.00 15.34 C +ATOM 6346 N GLU D 52 31.331 -11.520 158.020 1.00 21.41 N +ATOM 6347 CA GLU D 52 31.815 -12.901 157.772 1.00 24.19 C +ATOM 6348 C GLU D 52 33.060 -12.924 156.926 1.00 21.32 C +ATOM 6349 O GLU D 52 33.991 -13.661 157.200 1.00 22.40 O +ATOM 6350 CB GLU D 52 30.749 -13.776 157.111 1.00 25.66 C +ATOM 6351 CG GLU D 52 29.731 -14.372 158.059 1.00 31.60 C +ATOM 6352 CD GLU D 52 29.012 -15.609 157.460 1.00 31.21 C +ATOM 6353 OE1 GLU D 52 28.621 -15.592 156.276 1.00 27.88 O +ATOM 6354 OE2 GLU D 52 28.813 -16.597 158.203 1.00 54.24 O +ATOM 6355 N ALA D 53 33.085 -12.066 155.920 1.00 20.97 N +ATOM 6356 CA ALA D 53 34.249 -11.924 155.055 1.00 19.49 C +ATOM 6357 C ALA D 53 35.424 -11.340 155.820 1.00 19.67 C +ATOM 6358 O ALA D 53 36.528 -11.757 155.597 1.00 19.85 O +ATOM 6359 CB ALA D 53 33.902 -11.064 153.806 1.00 18.90 C +ATOM 6360 N ALA D 54 35.162 -10.385 156.727 1.00 20.15 N +ATOM 6361 CA ALA D 54 36.197 -9.790 157.585 1.00 20.92 C +ATOM 6362 C ALA D 54 36.810 -10.845 158.536 1.00 20.52 C +ATOM 6363 O ALA D 54 38.009 -10.927 158.694 1.00 21.53 O +ATOM 6364 CB ALA D 54 35.652 -8.558 158.369 1.00 16.56 C +ATOM 6365 N GLU D 55 35.968 -11.677 159.126 1.00 22.64 N +ATOM 6366 CA GLU D 55 36.421 -12.809 159.944 1.00 24.08 C +ATOM 6367 C GLU D 55 37.285 -13.788 159.160 1.00 23.75 C +ATOM 6368 O GLU D 55 38.303 -14.241 159.685 1.00 23.67 O +ATOM 6369 CB GLU D 55 35.222 -13.551 160.554 1.00 24.08 C +ATOM 6370 CG GLU D 55 34.543 -12.775 161.639 1.00 26.46 C +ATOM 6371 CD GLU D 55 33.163 -13.286 162.042 1.00 27.71 C +ATOM 6372 OE1 GLU D 55 32.544 -14.123 161.336 1.00 35.84 O +ATOM 6373 OE2 GLU D 55 32.685 -12.785 163.078 1.00 34.88 O +ATOM 6374 N LEU D 56 36.877 -14.125 157.933 1.00 23.43 N +ATOM 6375 CA LEU D 56 37.621 -15.042 157.083 1.00 22.89 C +ATOM 6376 C LEU D 56 38.949 -14.437 156.701 1.00 24.72 C +ATOM 6377 O LEU D 56 39.966 -15.078 156.850 1.00 25.42 O +ATOM 6378 CB LEU D 56 36.835 -15.406 155.825 1.00 24.29 C +ATOM 6379 CG LEU D 56 37.476 -16.439 154.869 1.00 26.40 C +ATOM 6380 CD1 LEU D 56 37.726 -17.819 155.584 1.00 21.73 C +ATOM 6381 CD2 LEU D 56 36.610 -16.637 153.657 1.00 20.21 C +ATOM 6382 N ALA D 57 38.953 -13.187 156.242 1.00 24.25 N +ATOM 6383 CA ALA D 57 40.200 -12.517 155.888 1.00 24.17 C +ATOM 6384 C ALA D 57 41.197 -12.527 157.069 1.00 25.09 C +ATOM 6385 O ALA D 57 42.402 -12.692 156.870 1.00 25.95 O +ATOM 6386 CB ALA D 57 39.922 -11.099 155.411 1.00 21.92 C +ATOM 6387 N LEU D 58 40.690 -12.350 158.289 1.00 25.03 N +ATOM 6388 CA LEU D 58 41.556 -12.254 159.459 1.00 25.96 C +ATOM 6389 C LEU D 58 42.106 -13.637 159.836 1.00 26.90 C +ATOM 6390 O LEU D 58 43.311 -13.795 160.077 1.00 26.93 O +ATOM 6391 CB LEU D 58 40.805 -11.619 160.631 1.00 26.15 C +ATOM 6392 CG LEU D 58 41.506 -11.490 161.995 1.00 26.54 C +ATOM 6393 CD1 LEU D 58 42.758 -10.590 161.948 1.00 23.75 C +ATOM 6394 CD2 LEU D 58 40.491 -10.990 163.009 1.00 26.05 C +ATOM 6395 N SER D 59 41.226 -14.626 159.856 1.00 27.60 N +ATOM 6396 CA SER D 59 41.629 -15.979 160.226 1.00 31.46 C +ATOM 6397 C SER D 59 42.570 -16.602 159.200 1.00 31.99 C +ATOM 6398 O SER D 59 43.498 -17.274 159.562 1.00 33.92 O +ATOM 6399 CB SER D 59 40.429 -16.896 160.474 1.00 28.66 C +ATOM 6400 OG SER D 59 39.767 -17.205 159.285 1.00 39.43 O +ATOM 6401 N ARG D 60 42.309 -16.344 157.931 1.00 31.88 N +ATOM 6402 CA ARG D 60 43.042 -16.921 156.822 1.00 32.17 C +ATOM 6403 C ARG D 60 44.369 -16.205 156.499 1.00 31.86 C +ATOM 6404 O ARG D 60 45.332 -16.862 156.115 1.00 32.90 O +ATOM 6405 CB ARG D 60 42.117 -16.879 155.599 1.00 31.66 C +ATOM 6406 CG ARG D 60 42.723 -17.209 154.275 1.00 36.28 C +ATOM 6407 CD ARG D 60 41.650 -17.479 153.230 1.00 35.61 C +ATOM 6408 NE ARG D 60 41.231 -16.297 152.479 1.00 33.28 N +ATOM 6409 CZ ARG D 60 40.325 -16.327 151.509 1.00 33.59 C +ATOM 6410 NH1 ARG D 60 39.695 -17.456 151.212 1.00 34.75 N +ATOM 6411 NH2 ARG D 60 40.005 -15.220 150.858 1.00 37.59 N +ATOM 6412 N SER D 61 44.411 -14.871 156.609 1.00 30.79 N +ATOM 6413 CA ASER D 61 45.585 -14.091 156.194 0.50 28.83 C +ATOM 6414 CA BSER D 61 45.585 -14.093 156.196 0.50 30.40 C +ATOM 6415 C SER D 61 46.119 -13.122 157.248 1.00 29.36 C +ATOM 6416 O SER D 61 47.148 -12.493 157.036 1.00 29.10 O +ATOM 6417 CB ASER D 61 45.268 -13.297 154.924 0.50 29.44 C +ATOM 6418 CB BSER D 61 45.253 -13.296 154.939 0.50 31.27 C +ATOM 6419 OG ASER D 61 44.804 -14.139 153.887 0.50 21.27 O +ATOM 6420 OG BSER D 61 44.284 -12.304 155.230 0.50 34.88 O +ATOM 6421 N GLY D 62 45.427 -12.980 158.376 1.00 28.44 N +ATOM 6422 CA GLY D 62 45.806 -11.976 159.358 1.00 28.20 C +ATOM 6423 C GLY D 62 45.505 -10.543 158.939 1.00 28.17 C +ATOM 6424 O GLY D 62 46.004 -9.604 159.560 1.00 29.74 O +ATOM 6425 N VAL D 63 44.722 -10.371 157.874 1.00 27.60 N +ATOM 6426 CA VAL D 63 44.328 -9.057 157.401 1.00 25.88 C +ATOM 6427 C VAL D 63 43.101 -8.638 158.226 1.00 24.86 C +ATOM 6428 O VAL D 63 42.114 -9.369 158.306 1.00 23.76 O +ATOM 6429 CB VAL D 63 44.037 -9.041 155.870 1.00 27.12 C +ATOM 6430 CG1 VAL D 63 43.347 -7.716 155.470 1.00 21.74 C +ATOM 6431 CG2 VAL D 63 45.337 -9.214 155.073 1.00 23.60 C +ATOM 6432 N ARG D 64 43.207 -7.483 158.878 1.00 24.15 N +ATOM 6433 CA ARG D 64 42.158 -6.997 159.777 1.00 23.65 C +ATOM 6434 C ARG D 64 41.344 -5.841 159.194 1.00 22.88 C +ATOM 6435 O ARG D 64 41.880 -4.791 158.906 1.00 22.64 O +ATOM 6436 CB ARG D 64 42.738 -6.582 161.133 1.00 23.99 C +ATOM 6437 CG ARG D 64 41.641 -6.395 162.179 1.00 24.46 C +ATOM 6438 CD ARG D 64 42.159 -5.991 163.517 1.00 25.85 C +ATOM 6439 NE ARG D 64 42.870 -7.073 164.198 1.00 26.81 N +ATOM 6440 CZ ARG D 64 44.191 -7.135 164.383 1.00 25.82 C +ATOM 6441 NH1 ARG D 64 44.997 -6.200 163.941 1.00 28.47 N +ATOM 6442 NH2 ARG D 64 44.709 -8.169 165.008 1.00 30.23 N +ATOM 6443 N CYS D 65 40.037 -6.045 159.055 1.00 22.91 N +ATOM 6444 CA CYS D 65 39.135 -5.040 158.515 1.00 23.24 C +ATOM 6445 C CYS D 65 38.040 -4.682 159.532 1.00 22.96 C +ATOM 6446 O CYS D 65 37.578 -5.542 160.288 1.00 23.87 O +ATOM 6447 CB CYS D 65 38.473 -5.573 157.241 1.00 24.63 C +ATOM 6448 SG CYS D 65 39.666 -6.177 155.983 1.00 25.57 S +HETATM 6449 N MSE D 66 37.625 -3.416 159.532 1.00 21.02 N +HETATM 6450 CA MSE D 66 36.511 -2.962 160.380 1.00 18.86 C +HETATM 6451 C MSE D 66 35.244 -2.749 159.553 1.00 18.62 C +HETATM 6452 O MSE D 66 35.238 -1.959 158.625 1.00 17.92 O +HETATM 6453 CB MSE D 66 36.873 -1.647 161.092 1.00 18.78 C +HETATM 6454 CG MSE D 66 35.769 -1.072 161.937 1.00 16.02 C +HETATM 6455 SE MSE D 66 35.166 -2.397 163.275 0.75 22.13 SE +HETATM 6456 CE MSE D 66 36.441 -2.067 164.663 1.00 15.01 C +ATOM 6457 N VAL D 67 34.156 -3.414 159.950 1.00 18.78 N +ATOM 6458 CA VAL D 67 32.863 -3.176 159.338 1.00 17.63 C +ATOM 6459 C VAL D 67 32.134 -2.073 160.072 1.00 18.75 C +ATOM 6460 O VAL D 67 31.727 -2.252 161.221 1.00 18.72 O +ATOM 6461 CB VAL D 67 32.031 -4.450 159.293 1.00 16.47 C +ATOM 6462 CG1 VAL D 67 30.723 -4.199 158.610 1.00 16.11 C +ATOM 6463 CG2 VAL D 67 32.824 -5.550 158.624 1.00 15.28 C +HETATM 6464 N MSE D 68 31.954 -0.935 159.398 1.00 18.05 N +HETATM 6465 CA MSE D 68 31.295 0.236 159.968 1.00 18.18 C +HETATM 6466 C MSE D 68 29.812 -0.008 160.136 1.00 18.76 C +HETATM 6467 O MSE D 68 29.273 -0.934 159.568 1.00 19.24 O +HETATM 6468 CB MSE D 68 31.525 1.469 159.060 1.00 19.29 C +HETATM 6469 CG MSE D 68 32.991 1.895 158.894 1.00 19.07 C +HETATM 6470 SE MSE D 68 33.867 2.409 160.571 0.75 20.34 SE +HETATM 6471 CE MSE D 68 32.741 4.059 161.003 1.00 20.46 C +ATOM 6472 N PRO D 69 29.132 0.807 160.952 1.00 19.91 N +ATOM 6473 CA PRO D 69 27.666 0.658 160.987 1.00 21.35 C +ATOM 6474 C PRO D 69 27.030 0.927 159.625 1.00 21.96 C +ATOM 6475 O PRO D 69 27.514 1.770 158.885 1.00 21.15 O +ATOM 6476 CB PRO D 69 27.212 1.726 161.982 1.00 21.88 C +ATOM 6477 CG PRO D 69 28.431 2.013 162.840 1.00 21.52 C +ATOM 6478 CD PRO D 69 29.596 1.877 161.854 1.00 19.37 C +ATOM 6479 N PRO D 70 25.971 0.185 159.269 1.00 22.50 N +ATOM 6480 CA PRO D 70 25.372 0.389 157.958 1.00 21.87 C +ATOM 6481 C PRO D 70 24.711 1.758 157.807 1.00 21.52 C +ATOM 6482 O PRO D 70 24.222 2.309 158.786 1.00 22.86 O +ATOM 6483 CB PRO D 70 24.327 -0.738 157.885 1.00 21.70 C +ATOM 6484 CG PRO D 70 24.764 -1.701 158.820 1.00 22.36 C +ATOM 6485 CD PRO D 70 25.325 -0.929 159.971 1.00 20.63 C +ATOM 6486 N VAL D 71 24.741 2.305 156.596 1.00 20.70 N +ATOM 6487 CA VAL D 71 24.111 3.583 156.307 1.00 18.34 C +ATOM 6488 C VAL D 71 22.722 3.303 155.790 1.00 17.46 C +ATOM 6489 O VAL D 71 22.577 2.642 154.775 1.00 17.40 O +ATOM 6490 CB VAL D 71 24.897 4.433 155.278 1.00 20.56 C +ATOM 6491 CG1 VAL D 71 24.240 5.807 155.155 1.00 13.31 C +ATOM 6492 CG2 VAL D 71 26.362 4.575 155.695 1.00 16.84 C +ATOM 6493 N PRO D 72 21.687 3.728 156.525 1.00 16.69 N +ATOM 6494 CA PRO D 72 20.324 3.341 156.135 1.00 17.66 C +ATOM 6495 C PRO D 72 19.634 4.247 155.108 1.00 18.04 C +ATOM 6496 O PRO D 72 18.414 4.224 155.021 1.00 21.80 O +ATOM 6497 CB PRO D 72 19.578 3.371 157.484 1.00 19.83 C +ATOM 6498 CG PRO D 72 20.286 4.482 158.277 1.00 20.63 C +ATOM 6499 CD PRO D 72 21.721 4.495 157.786 1.00 18.14 C +ATOM 6500 N PHE D 73 20.400 5.019 154.346 1.00 17.57 N +ATOM 6501 CA PHE D 73 19.876 6.087 153.469 1.00 17.21 C +ATOM 6502 C PHE D 73 20.080 5.758 151.989 1.00 17.69 C +ATOM 6503 O PHE D 73 21.171 5.985 151.434 1.00 17.93 O +ATOM 6504 CB PHE D 73 20.517 7.433 153.821 1.00 17.87 C +ATOM 6505 CG PHE D 73 20.196 7.874 155.190 1.00 19.92 C +ATOM 6506 CD1 PHE D 73 18.873 8.185 155.537 1.00 22.04 C +ATOM 6507 CD2 PHE D 73 21.172 7.940 156.162 1.00 17.62 C +ATOM 6508 CE1 PHE D 73 18.557 8.559 156.832 1.00 22.32 C +ATOM 6509 CE2 PHE D 73 20.857 8.327 157.445 1.00 20.55 C +ATOM 6510 CZ PHE D 73 19.542 8.619 157.790 1.00 18.58 C +ATOM 6511 N GLY D 74 19.013 5.216 151.387 1.00 17.95 N +ATOM 6512 CA GLY D 74 18.996 4.751 150.013 1.00 17.53 C +ATOM 6513 C GLY D 74 18.295 5.738 149.079 1.00 17.20 C +ATOM 6514 O GLY D 74 17.526 6.572 149.524 1.00 16.38 O +ATOM 6515 N ALA D 75 18.615 5.635 147.793 1.00 16.53 N +ATOM 6516 CA ALA D 75 17.959 6.361 146.713 1.00 16.98 C +ATOM 6517 C ALA D 75 16.863 5.495 146.146 1.00 18.05 C +ATOM 6518 O ALA D 75 17.131 4.372 145.716 1.00 19.52 O +ATOM 6519 CB ALA D 75 18.990 6.680 145.593 1.00 16.14 C +ATOM 6520 N HIS D 76 15.646 6.040 146.084 1.00 19.27 N +ATOM 6521 CA HIS D 76 14.455 5.296 145.713 1.00 19.30 C +ATOM 6522 C HIS D 76 13.715 5.831 144.460 1.00 20.71 C +ATOM 6523 O HIS D 76 14.122 6.818 143.848 1.00 20.08 O +ATOM 6524 CB HIS D 76 13.563 5.113 146.956 1.00 20.16 C +ATOM 6525 CG HIS D 76 14.234 4.287 148.020 1.00 19.19 C +ATOM 6526 ND1 HIS D 76 14.561 2.968 147.825 1.00 19.61 N +ATOM 6527 CD2 HIS D 76 14.780 4.630 149.209 1.00 20.67 C +ATOM 6528 CE1 HIS D 76 15.210 2.509 148.879 1.00 22.74 C +ATOM 6529 NE2 HIS D 76 15.363 3.502 149.731 1.00 20.61 N +ATOM 6530 N ASN D 77 12.700 5.094 144.039 1.00 20.51 N +ATOM 6531 CA ASN D 77 12.050 5.283 142.735 1.00 21.11 C +ATOM 6532 C ASN D 77 10.713 5.955 142.955 1.00 21.87 C +ATOM 6533 O ASN D 77 10.204 5.957 144.081 1.00 22.52 O +ATOM 6534 CB ASN D 77 11.786 3.924 142.042 1.00 19.47 C +ATOM 6535 CG ASN D 77 13.030 3.323 141.370 1.00 24.17 C +ATOM 6536 OD1 ASN D 77 14.160 3.608 141.744 1.00 24.32 O +ATOM 6537 ND2 ASN D 77 12.803 2.491 140.360 1.00 19.78 N +ATOM 6538 N PRO D 78 10.119 6.514 141.883 1.00 23.13 N +ATOM 6539 CA PRO D 78 8.766 6.997 142.075 1.00 22.91 C +ATOM 6540 C PRO D 78 7.824 5.850 142.527 1.00 23.00 C +ATOM 6541 O PRO D 78 7.999 4.690 142.142 1.00 22.49 O +ATOM 6542 CB PRO D 78 8.405 7.609 140.708 1.00 23.20 C +ATOM 6543 CG PRO D 78 9.715 7.829 140.000 1.00 21.43 C +ATOM 6544 CD PRO D 78 10.604 6.741 140.501 1.00 23.44 C +ATOM 6545 N GLY D 79 6.890 6.192 143.401 1.00 21.99 N +ATOM 6546 CA GLY D 79 5.986 5.220 144.022 1.00 23.54 C +ATOM 6547 C GLY D 79 6.449 4.631 145.342 1.00 23.60 C +ATOM 6548 O GLY D 79 5.632 4.129 146.106 1.00 25.66 O +ATOM 6549 N GLN D 80 7.758 4.690 145.608 1.00 23.24 N +ATOM 6550 CA GLN D 80 8.315 4.103 146.816 1.00 23.68 C +ATOM 6551 C GLN D 80 8.217 5.077 147.967 1.00 24.47 C +ATOM 6552 O GLN D 80 7.982 4.669 149.099 1.00 24.67 O +ATOM 6553 CB GLN D 80 9.772 3.701 146.642 1.00 23.33 C +ATOM 6554 CG GLN D 80 9.991 2.602 145.628 1.00 24.53 C +ATOM 6555 CD GLN D 80 11.303 1.924 145.802 1.00 24.63 C +ATOM 6556 OE1 GLN D 80 12.328 2.382 145.290 1.00 26.01 O +ATOM 6557 NE2 GLN D 80 11.299 0.812 146.541 1.00 23.66 N +ATOM 6558 N ARG D 81 8.374 6.363 147.675 1.00 24.49 N +ATOM 6559 CA ARG D 81 8.410 7.397 148.712 1.00 26.50 C +ATOM 6560 C ARG D 81 7.065 7.508 149.472 1.00 26.27 C +ATOM 6561 O ARG D 81 7.028 7.909 150.626 1.00 27.04 O +ATOM 6562 CB ARG D 81 8.767 8.741 148.081 1.00 26.77 C +ATOM 6563 CG ARG D 81 9.156 9.796 149.077 1.00 29.29 C +ATOM 6564 CD ARG D 81 9.707 11.046 148.385 1.00 28.37 C +ATOM 6565 NE ARG D 81 8.672 11.661 147.552 1.00 36.65 N +ATOM 6566 CZ ARG D 81 8.670 12.930 147.150 1.00 35.52 C +ATOM 6567 NH1 ARG D 81 9.634 13.742 147.514 1.00 32.56 N +ATOM 6568 NH2 ARG D 81 7.687 13.397 146.389 1.00 36.61 N +ATOM 6569 N GLU D 82 5.985 7.142 148.793 1.00 26.75 N +ATOM 6570 CA GLU D 82 4.643 7.236 149.329 1.00 29.80 C +ATOM 6571 C GLU D 82 4.282 6.036 150.240 1.00 26.83 C +ATOM 6572 O GLU D 82 3.311 6.093 150.999 1.00 26.01 O +ATOM 6573 CB GLU D 82 3.643 7.423 148.169 1.00 29.97 C +ATOM 6574 CG GLU D 82 3.503 6.244 147.155 1.00 38.58 C +ATOM 6575 CD GLU D 82 2.667 6.605 145.868 1.00 41.38 C +ATOM 6576 OE1 GLU D 82 3.178 7.355 144.980 1.00 54.08 O +ATOM 6577 OE2 GLU D 82 1.495 6.142 145.754 1.00 50.61 O +ATOM 6578 N LEU D 83 5.082 4.967 150.174 1.00 25.18 N +ATOM 6579 CA LEU D 83 4.914 3.799 151.043 1.00 24.24 C +ATOM 6580 C LEU D 83 5.384 4.187 152.445 1.00 23.50 C +ATOM 6581 O LEU D 83 6.406 4.858 152.572 1.00 21.58 O +ATOM 6582 CB LEU D 83 5.714 2.607 150.519 1.00 24.35 C +ATOM 6583 CG LEU D 83 5.255 1.950 149.196 1.00 27.60 C +ATOM 6584 CD1 LEU D 83 6.279 0.908 148.760 1.00 23.08 C +ATOM 6585 CD2 LEU D 83 3.832 1.363 149.270 1.00 25.65 C +ATOM 6586 N PRO D 84 4.647 3.774 153.496 1.00 23.01 N +ATOM 6587 CA PRO D 84 4.999 4.216 154.830 1.00 22.73 C +ATOM 6588 C PRO D 84 6.429 3.856 155.236 1.00 21.23 C +ATOM 6589 O PRO D 84 6.873 2.735 155.069 1.00 20.78 O +ATOM 6590 CB PRO D 84 3.975 3.507 155.714 1.00 22.04 C +ATOM 6591 CG PRO D 84 3.505 2.403 154.932 1.00 24.54 C +ATOM 6592 CD PRO D 84 3.503 2.867 153.538 1.00 24.75 C +ATOM 6593 N PHE D 85 7.117 4.853 155.756 1.00 21.14 N +ATOM 6594 CA PHE D 85 8.441 4.734 156.338 1.00 20.92 C +ATOM 6595 C PHE D 85 9.576 4.431 155.339 1.00 20.77 C +ATOM 6596 O PHE D 85 10.658 4.071 155.766 1.00 22.04 O +ATOM 6597 CB PHE D 85 8.431 3.700 157.483 1.00 21.67 C +ATOM 6598 CG PHE D 85 7.214 3.779 158.356 1.00 20.51 C +ATOM 6599 CD1 PHE D 85 6.895 4.958 159.010 1.00 22.62 C +ATOM 6600 CD2 PHE D 85 6.383 2.680 158.527 1.00 21.34 C +ATOM 6601 CE1 PHE D 85 5.778 5.032 159.818 1.00 18.66 C +ATOM 6602 CE2 PHE D 85 5.248 2.772 159.313 1.00 22.87 C +ATOM 6603 CZ PHE D 85 4.963 3.946 159.971 1.00 20.15 C +ATOM 6604 N CYS D 86 9.312 4.556 154.043 1.00 20.50 N +ATOM 6605 CA CYS D 86 10.342 4.533 153.026 1.00 21.18 C +ATOM 6606 C CYS D 86 10.979 5.924 152.918 1.00 21.28 C +ATOM 6607 O CYS D 86 10.312 6.935 152.717 1.00 22.83 O +ATOM 6608 CB CYS D 86 9.756 4.137 151.657 1.00 22.46 C +ATOM 6609 SG CYS D 86 10.987 4.030 150.334 1.00 22.15 S +ATOM 6610 N ILE D 87 12.290 5.965 153.059 1.00 19.50 N +ATOM 6611 CA ILE D 87 13.014 7.211 153.105 1.00 19.60 C +ATOM 6612 C ILE D 87 13.894 7.345 151.873 1.00 18.60 C +ATOM 6613 O ILE D 87 14.905 6.670 151.747 1.00 18.75 O +ATOM 6614 CB ILE D 87 13.915 7.283 154.349 1.00 19.23 C +ATOM 6615 CG1 ILE D 87 13.083 7.136 155.633 1.00 21.41 C +ATOM 6616 CG2 ILE D 87 14.725 8.575 154.314 1.00 18.62 C +ATOM 6617 CD1 ILE D 87 11.859 8.028 155.708 1.00 15.31 C +ATOM 6618 N HIS D 88 13.495 8.240 150.979 1.00 18.61 N +ATOM 6619 CA HIS D 88 14.275 8.560 149.815 1.00 18.39 C +ATOM 6620 C HIS D 88 15.360 9.555 150.177 1.00 16.87 C +ATOM 6621 O HIS D 88 15.075 10.557 150.757 1.00 16.94 O +ATOM 6622 CB HIS D 88 13.414 9.177 148.718 1.00 17.40 C +ATOM 6623 CG HIS D 88 14.227 9.682 147.570 1.00 21.06 C +ATOM 6624 ND1 HIS D 88 14.997 8.843 146.793 1.00 13.01 N +ATOM 6625 CD2 HIS D 88 14.440 10.939 147.103 1.00 20.26 C +ATOM 6626 CE1 HIS D 88 15.614 9.559 145.868 1.00 20.29 C +ATOM 6627 NE2 HIS D 88 15.307 10.834 146.046 1.00 18.12 N +ATOM 6628 N THR D 89 16.596 9.235 149.809 1.00 17.22 N +ATOM 6629 CA THR D 89 17.737 10.096 150.027 1.00 17.28 C +ATOM 6630 C THR D 89 18.221 10.660 148.696 1.00 16.59 C +ATOM 6631 O THR D 89 18.522 9.894 147.782 1.00 16.82 O +ATOM 6632 CB THR D 89 18.892 9.313 150.700 1.00 18.07 C +ATOM 6633 OG1 THR D 89 18.360 8.469 151.719 1.00 18.83 O +ATOM 6634 CG2 THR D 89 19.862 10.264 151.331 1.00 16.22 C +ATOM 6635 N ARG D 90 18.296 11.997 148.589 1.00 15.07 N +ATOM 6636 CA ARG D 90 18.917 12.650 147.418 1.00 15.81 C +ATOM 6637 C ARG D 90 20.389 12.271 147.272 1.00 16.46 C +ATOM 6638 O ARG D 90 21.071 12.035 148.266 1.00 16.04 O +ATOM 6639 CB ARG D 90 18.826 14.182 147.512 1.00 15.19 C +ATOM 6640 CG ARG D 90 17.405 14.734 147.449 1.00 17.49 C +ATOM 6641 CD ARG D 90 17.403 16.197 147.790 1.00 22.76 C +ATOM 6642 NE ARG D 90 17.566 16.363 149.226 1.00 25.56 N +ATOM 6643 CZ ARG D 90 17.734 17.521 149.868 1.00 27.31 C +ATOM 6644 NH1 ARG D 90 17.799 18.677 149.202 1.00 25.64 N +ATOM 6645 NH2 ARG D 90 17.871 17.499 151.199 1.00 21.55 N +ATOM 6646 N TYR D 91 20.875 12.208 146.033 1.00 17.29 N +ATOM 6647 CA TYR D 91 22.314 11.933 145.747 1.00 17.14 C +ATOM 6648 C TYR D 91 23.249 12.828 146.546 1.00 15.51 C +ATOM 6649 O TYR D 91 24.299 12.383 146.999 1.00 16.77 O +ATOM 6650 CB TYR D 91 22.666 12.108 144.238 1.00 16.67 C +ATOM 6651 CG TYR D 91 23.988 11.464 143.797 1.00 18.16 C +ATOM 6652 CD1 TYR D 91 25.233 12.105 143.955 1.00 19.85 C +ATOM 6653 CD2 TYR D 91 23.990 10.206 143.208 1.00 21.86 C +ATOM 6654 CE1 TYR D 91 26.438 11.477 143.518 1.00 20.27 C +ATOM 6655 CE2 TYR D 91 25.153 9.596 142.801 1.00 23.25 C +ATOM 6656 CZ TYR D 91 26.376 10.234 142.942 1.00 21.29 C +ATOM 6657 OH TYR D 91 27.475 9.520 142.503 1.00 26.98 O +ATOM 6658 N ALA D 92 22.899 14.114 146.635 1.00 16.34 N +ATOM 6659 CA ALA D 92 23.736 15.101 147.304 1.00 15.91 C +ATOM 6660 C ALA D 92 23.806 14.810 148.794 1.00 15.38 C +ATOM 6661 O ALA D 92 24.783 15.088 149.432 1.00 15.54 O +ATOM 6662 CB ALA D 92 23.184 16.516 147.089 1.00 16.13 C +ATOM 6663 N THR D 93 22.724 14.300 149.367 1.00 15.91 N +ATOM 6664 CA THR D 93 22.718 13.944 150.779 1.00 14.51 C +ATOM 6665 C THR D 93 23.635 12.763 151.018 1.00 15.46 C +ATOM 6666 O THR D 93 24.420 12.754 151.968 1.00 15.20 O +ATOM 6667 CB THR D 93 21.306 13.584 151.250 1.00 16.77 C +ATOM 6668 OG1 THR D 93 20.412 14.665 150.960 1.00 13.05 O +ATOM 6669 CG2 THR D 93 21.342 13.266 152.770 1.00 12.81 C +ATOM 6670 N GLN D 94 23.508 11.740 150.165 1.00 16.71 N +ATOM 6671 CA GLN D 94 24.395 10.569 150.213 1.00 15.51 C +ATOM 6672 C GLN D 94 25.870 10.985 150.080 1.00 15.62 C +ATOM 6673 O GLN D 94 26.701 10.516 150.831 1.00 15.89 O +ATOM 6674 CB GLN D 94 24.044 9.549 149.131 1.00 14.39 C +ATOM 6675 CG GLN D 94 22.701 8.916 149.279 1.00 16.85 C +ATOM 6676 CD GLN D 94 22.446 7.869 148.238 1.00 17.72 C +ATOM 6677 OE1 GLN D 94 22.810 8.036 147.072 1.00 21.25 O +ATOM 6678 NE2 GLN D 94 21.815 6.774 148.650 1.00 16.57 N +ATOM 6679 N GLN D 95 26.171 11.882 149.152 1.00 16.44 N +ATOM 6680 CA GLN D 95 27.534 12.329 148.929 1.00 16.82 C +ATOM 6681 C GLN D 95 28.054 13.133 150.103 1.00 15.38 C +ATOM 6682 O GLN D 95 29.179 12.948 150.483 1.00 16.76 O +ATOM 6683 CB GLN D 95 27.649 13.132 147.650 1.00 16.54 C +ATOM 6684 CG GLN D 95 29.080 13.624 147.310 1.00 21.09 C +ATOM 6685 CD GLN D 95 29.078 14.621 146.130 1.00 26.15 C +ATOM 6686 OE1 GLN D 95 28.542 14.342 145.056 1.00 31.95 O +ATOM 6687 NE2 GLN D 95 29.644 15.819 146.365 1.00 40.55 N +ATOM 6688 N ALA D 96 27.230 14.002 150.695 1.00 15.94 N +ATOM 6689 CA ALA D 96 27.636 14.684 151.920 1.00 15.47 C +ATOM 6690 C ALA D 96 27.992 13.685 153.041 1.00 16.39 C +ATOM 6691 O ALA D 96 29.011 13.835 153.698 1.00 14.13 O +ATOM 6692 CB ALA D 96 26.585 15.629 152.373 1.00 13.89 C +ATOM 6693 N ILE D 97 27.155 12.665 153.236 1.00 15.63 N +ATOM 6694 CA ILE D 97 27.481 11.563 154.175 1.00 14.85 C +ATOM 6695 C ILE D 97 28.821 10.840 153.868 1.00 15.56 C +ATOM 6696 O ILE D 97 29.612 10.632 154.778 1.00 15.35 O +ATOM 6697 CB ILE D 97 26.378 10.490 154.252 1.00 15.46 C +ATOM 6698 CG1 ILE D 97 25.068 11.055 154.801 1.00 14.96 C +ATOM 6699 CG2 ILE D 97 26.832 9.304 155.140 1.00 17.79 C +ATOM 6700 CD1 ILE D 97 23.838 10.220 154.397 1.00 14.20 C +ATOM 6701 N LEU D 98 29.064 10.432 152.613 1.00 15.98 N +ATOM 6702 CA LEU D 98 30.358 9.810 152.267 1.00 16.71 C +ATOM 6703 C LEU D 98 31.521 10.779 152.424 1.00 17.27 C +ATOM 6704 O LEU D 98 32.653 10.379 152.776 1.00 18.13 O +ATOM 6705 CB LEU D 98 30.371 9.212 150.825 1.00 17.03 C +ATOM 6706 CG LEU D 98 31.594 8.361 150.434 1.00 18.62 C +ATOM 6707 CD1 LEU D 98 31.784 7.166 151.408 1.00 14.25 C +ATOM 6708 CD2 LEU D 98 31.442 7.832 149.019 1.00 14.90 C +ATOM 6709 N GLU D 99 31.281 12.053 152.131 1.00 17.36 N +ATOM 6710 CA GLU D 99 32.345 13.045 152.326 1.00 18.36 C +ATOM 6711 C GLU D 99 32.787 13.115 153.788 1.00 18.08 C +ATOM 6712 O GLU D 99 33.990 13.242 154.093 1.00 17.07 O +ATOM 6713 CB GLU D 99 31.905 14.446 151.847 1.00 17.52 C +ATOM 6714 CG GLU D 99 31.895 14.566 150.330 1.00 21.92 C +ATOM 6715 CD GLU D 99 31.377 15.890 149.831 1.00 22.72 C +ATOM 6716 OE1 GLU D 99 30.688 16.606 150.597 1.00 25.97 O +ATOM 6717 OE2 GLU D 99 31.622 16.176 148.644 1.00 25.55 O +ATOM 6718 N ASP D 100 31.791 13.049 154.678 1.00 16.83 N +ATOM 6719 CA ASP D 100 32.033 13.094 156.126 1.00 17.07 C +ATOM 6720 C ASP D 100 32.705 11.863 156.672 1.00 17.35 C +ATOM 6721 O ASP D 100 33.619 11.968 157.496 1.00 18.40 O +ATOM 6722 CB ASP D 100 30.726 13.432 156.864 1.00 15.55 C +ATOM 6723 CG ASP D 100 30.371 14.912 156.720 1.00 21.16 C +ATOM 6724 OD1 ASP D 100 31.188 15.648 156.126 1.00 23.31 O +ATOM 6725 OD2 ASP D 100 29.300 15.353 157.188 1.00 23.16 O +ATOM 6726 N ILE D 101 32.279 10.691 156.214 1.00 17.36 N +ATOM 6727 CA ILE D 101 32.906 9.442 156.622 1.00 15.57 C +ATOM 6728 C ILE D 101 34.371 9.428 156.164 1.00 16.87 C +ATOM 6729 O ILE D 101 35.255 9.141 156.945 1.00 17.67 O +ATOM 6730 CB ILE D 101 32.143 8.226 156.085 1.00 16.88 C +ATOM 6731 CG1 ILE D 101 30.752 8.121 156.728 1.00 16.09 C +ATOM 6732 CG2 ILE D 101 32.899 6.857 156.292 1.00 14.18 C +ATOM 6733 CD1 ILE D 101 29.887 7.107 156.051 1.00 8.82 C +ATOM 6734 N VAL D 102 34.641 9.786 154.919 1.00 17.00 N +ATOM 6735 CA VAL D 102 36.023 9.702 154.382 1.00 17.20 C +ATOM 6736 C VAL D 102 36.936 10.730 155.051 1.00 17.82 C +ATOM 6737 O VAL D 102 38.073 10.454 155.349 1.00 18.36 O +ATOM 6738 CB VAL D 102 36.024 9.858 152.820 1.00 18.34 C +ATOM 6739 CG1 VAL D 102 37.458 10.082 152.241 1.00 14.96 C +ATOM 6740 CG2 VAL D 102 35.298 8.643 152.194 1.00 13.50 C +ATOM 6741 N SER D 103 36.401 11.909 155.305 1.00 17.17 N +ATOM 6742 CA SER D 103 37.176 12.943 155.954 1.00 17.35 C +ATOM 6743 C SER D 103 37.663 12.461 157.329 1.00 18.41 C +ATOM 6744 O SER D 103 38.834 12.594 157.671 1.00 19.12 O +ATOM 6745 CB SER D 103 36.352 14.206 156.064 1.00 13.18 C +ATOM 6746 OG SER D 103 37.027 15.147 156.866 1.00 26.22 O +ATOM 6747 N SER D 104 36.750 11.845 158.088 1.00 18.66 N +ATOM 6748 CA SER D 104 37.070 11.320 159.414 1.00 18.20 C +ATOM 6749 C SER D 104 38.062 10.170 159.319 1.00 17.45 C +ATOM 6750 O SER D 104 39.069 10.197 160.010 1.00 17.96 O +ATOM 6751 CB SER D 104 35.811 10.896 160.185 1.00 17.76 C +ATOM 6752 OG SER D 104 35.147 12.051 160.707 1.00 21.76 O +ATOM 6753 N LEU D 105 37.787 9.189 158.457 1.00 17.62 N +ATOM 6754 CA LEU D 105 38.654 8.023 158.302 1.00 17.42 C +ATOM 6755 C LEU D 105 40.052 8.454 157.840 1.00 18.77 C +ATOM 6756 O LEU D 105 41.051 7.893 158.299 1.00 18.77 O +ATOM 6757 CB LEU D 105 38.036 7.016 157.320 1.00 16.14 C +ATOM 6758 CG LEU D 105 36.725 6.311 157.679 1.00 20.36 C +ATOM 6759 CD1 LEU D 105 36.235 5.447 156.476 1.00 11.70 C +ATOM 6760 CD2 LEU D 105 36.880 5.508 158.955 1.00 16.65 C +ATOM 6761 N HIS D 106 40.131 9.479 156.989 1.00 19.47 N +ATOM 6762 CA HIS D 106 41.421 9.939 156.483 1.00 21.36 C +ATOM 6763 C HIS D 106 42.255 10.542 157.618 1.00 20.98 C +ATOM 6764 O HIS D 106 43.444 10.258 157.725 1.00 22.70 O +ATOM 6765 CB HIS D 106 41.257 10.930 155.306 1.00 22.21 C +ATOM 6766 CG HIS D 106 42.564 11.266 154.625 1.00 24.28 C +ATOM 6767 ND1 HIS D 106 43.425 12.238 155.095 1.00 24.23 N +ATOM 6768 CD2 HIS D 106 43.169 10.729 153.537 1.00 24.62 C +ATOM 6769 CE1 HIS D 106 44.493 12.292 154.319 1.00 26.30 C +ATOM 6770 NE2 HIS D 106 44.365 11.384 153.369 1.00 22.93 N +ATOM 6771 N VAL D 107 41.620 11.356 158.463 1.00 21.64 N +ATOM 6772 CA VAL D 107 42.269 11.957 159.638 1.00 21.02 C +ATOM 6773 C VAL D 107 42.846 10.892 160.565 1.00 22.20 C +ATOM 6774 O VAL D 107 43.903 11.073 161.184 1.00 22.48 O +ATOM 6775 CB VAL D 107 41.284 12.905 160.407 1.00 19.17 C +ATOM 6776 CG1 VAL D 107 41.774 13.221 161.773 1.00 24.79 C +ATOM 6777 CG2 VAL D 107 41.091 14.197 159.651 1.00 24.53 C +ATOM 6778 N GLN D 108 42.145 9.781 160.649 1.00 21.55 N +ATOM 6779 CA GLN D 108 42.528 8.662 161.461 1.00 21.44 C +ATOM 6780 C GLN D 108 43.613 7.778 160.823 1.00 22.98 C +ATOM 6781 O GLN D 108 44.001 6.789 161.397 1.00 23.28 O +ATOM 6782 CB GLN D 108 41.267 7.819 161.722 1.00 20.38 C +ATOM 6783 CG GLN D 108 40.221 8.583 162.502 1.00 17.69 C +ATOM 6784 CD GLN D 108 38.841 8.039 162.333 1.00 16.38 C +ATOM 6785 OE1 GLN D 108 38.676 6.886 161.977 1.00 17.74 O +ATOM 6786 NE2 GLN D 108 37.833 8.860 162.625 1.00 14.97 N +ATOM 6787 N GLY D 109 44.071 8.100 159.616 1.00 22.72 N +ATOM 6788 CA GLY D 109 45.172 7.360 158.987 1.00 21.87 C +ATOM 6789 C GLY D 109 44.773 6.282 157.992 1.00 21.87 C +ATOM 6790 O GLY D 109 45.634 5.662 157.365 1.00 21.06 O +ATOM 6791 N PHE D 110 43.470 6.048 157.841 1.00 20.99 N +ATOM 6792 CA PHE D 110 42.989 5.000 156.928 1.00 19.81 C +ATOM 6793 C PHE D 110 43.077 5.490 155.486 1.00 20.33 C +ATOM 6794 O PHE D 110 42.861 6.689 155.196 1.00 20.68 O +ATOM 6795 CB PHE D 110 41.568 4.534 157.302 1.00 20.53 C +ATOM 6796 CG PHE D 110 41.471 4.019 158.732 1.00 18.98 C +ATOM 6797 CD1 PHE D 110 42.150 2.872 159.110 1.00 20.18 C +ATOM 6798 CD2 PHE D 110 40.774 4.710 159.703 1.00 19.26 C +ATOM 6799 CE1 PHE D 110 42.112 2.409 160.415 1.00 20.25 C +ATOM 6800 CE2 PHE D 110 40.726 4.241 161.043 1.00 18.36 C +ATOM 6801 CZ PHE D 110 41.384 3.086 161.377 1.00 22.19 C +ATOM 6802 N ARG D 111 43.388 4.561 154.589 1.00 19.82 N +ATOM 6803 CA ARG D 111 43.605 4.891 153.182 1.00 21.52 C +ATOM 6804 C ARG D 111 42.862 3.948 152.217 1.00 20.97 C +ATOM 6805 O ARG D 111 43.046 4.059 150.991 1.00 20.55 O +ATOM 6806 CB ARG D 111 45.113 4.873 152.874 1.00 19.88 C +ATOM 6807 CG ARG D 111 45.941 5.831 153.718 1.00 21.81 C +ATOM 6808 CD ARG D 111 45.596 7.255 153.327 1.00 17.86 C +ATOM 6809 NE ARG D 111 46.361 8.302 153.983 1.00 25.28 N +ATOM 6810 CZ ARG D 111 45.997 8.925 155.101 1.00 24.49 C +ATOM 6811 NH1 ARG D 111 44.886 8.580 155.760 1.00 21.80 N +ATOM 6812 NH2 ARG D 111 46.751 9.897 155.578 1.00 21.35 N +ATOM 6813 N LYS D 112 42.036 3.040 152.751 1.00 19.69 N +ATOM 6814 CA LYS D 112 41.336 2.037 151.951 1.00 20.01 C +ATOM 6815 C LYS D 112 39.912 1.752 152.467 1.00 19.65 C +ATOM 6816 O LYS D 112 39.742 1.333 153.636 1.00 19.05 O +ATOM 6817 CB LYS D 112 42.137 0.748 151.994 1.00 19.48 C +ATOM 6818 CG LYS D 112 43.465 0.833 151.254 1.00 26.27 C +ATOM 6819 CD LYS D 112 44.436 -0.209 151.700 1.00 34.11 C +ATOM 6820 CE LYS D 112 45.796 0.057 151.094 1.00 38.97 C +ATOM 6821 NZ LYS D 112 46.714 -1.081 151.271 1.00 42.38 N +ATOM 6822 N LEU D 113 38.922 1.892 151.582 1.00 18.63 N +ATOM 6823 CA LEU D 113 37.525 1.732 151.906 1.00 18.12 C +ATOM 6824 C LEU D 113 36.791 0.946 150.810 1.00 18.44 C +ATOM 6825 O LEU D 113 36.918 1.266 149.603 1.00 19.52 O +ATOM 6826 CB LEU D 113 36.877 3.120 152.113 1.00 17.01 C +ATOM 6827 CG LEU D 113 35.359 3.284 152.348 1.00 16.87 C +ATOM 6828 CD1 LEU D 113 34.984 2.675 153.703 1.00 11.29 C +ATOM 6829 CD2 LEU D 113 34.893 4.755 152.280 1.00 17.46 C +ATOM 6830 N LEU D 114 36.004 -0.049 151.220 1.00 17.59 N +ATOM 6831 CA LEU D 114 35.053 -0.693 150.342 1.00 17.56 C +ATOM 6832 C LEU D 114 33.656 -0.330 150.814 1.00 17.47 C +ATOM 6833 O LEU D 114 33.328 -0.495 151.992 1.00 18.48 O +ATOM 6834 CB LEU D 114 35.223 -2.220 150.304 1.00 18.34 C +ATOM 6835 CG LEU D 114 34.150 -2.970 149.527 1.00 19.92 C +ATOM 6836 CD1 LEU D 114 34.359 -2.818 147.972 1.00 16.47 C +ATOM 6837 CD2 LEU D 114 34.081 -4.416 149.942 1.00 17.29 C +ATOM 6838 N ILE D 115 32.864 0.214 149.900 1.00 17.31 N +ATOM 6839 CA ILE D 115 31.453 0.408 150.125 1.00 17.59 C +ATOM 6840 C ILE D 115 30.790 -0.851 149.600 1.00 18.12 C +ATOM 6841 O ILE D 115 30.920 -1.199 148.435 1.00 17.77 O +ATOM 6842 CB ILE D 115 30.890 1.665 149.407 1.00 17.62 C +ATOM 6843 CG1 ILE D 115 31.739 2.914 149.744 1.00 18.55 C +ATOM 6844 CG2 ILE D 115 29.391 1.895 149.824 1.00 16.86 C +ATOM 6845 CD1 ILE D 115 31.354 4.112 148.949 1.00 15.48 C +ATOM 6846 N LEU D 116 30.111 -1.562 150.499 1.00 18.14 N +ATOM 6847 CA LEU D 116 29.354 -2.766 150.163 1.00 16.69 C +ATOM 6848 C LEU D 116 27.869 -2.449 150.251 1.00 17.29 C +ATOM 6849 O LEU D 116 27.274 -2.345 151.331 1.00 17.40 O +ATOM 6850 CB LEU D 116 29.736 -3.923 151.089 1.00 17.04 C +ATOM 6851 CG LEU D 116 29.221 -5.289 150.649 1.00 13.41 C +ATOM 6852 CD1 LEU D 116 29.795 -5.700 149.257 1.00 11.86 C +ATOM 6853 CD2 LEU D 116 29.440 -6.324 151.722 1.00 17.30 C +ATOM 6854 N SER D 117 27.270 -2.273 149.090 1.00 18.24 N +ATOM 6855 CA SER D 117 25.885 -1.857 148.990 1.00 18.58 C +ATOM 6856 C SER D 117 24.936 -3.044 149.014 1.00 20.26 C +ATOM 6857 O SER D 117 25.251 -4.119 148.483 1.00 20.21 O +ATOM 6858 CB SER D 117 25.654 -1.025 147.712 1.00 18.94 C +ATOM 6859 OG SER D 117 24.273 -0.684 147.606 1.00 19.31 O +ATOM 6860 N GLY D 118 23.780 -2.816 149.644 1.00 20.42 N +ATOM 6861 CA GLY D 118 22.698 -3.778 149.702 1.00 20.45 C +ATOM 6862 C GLY D 118 21.519 -3.360 148.850 1.00 20.06 C +ATOM 6863 O GLY D 118 20.586 -4.097 148.750 1.00 21.05 O +ATOM 6864 N HIS D 119 21.609 -2.185 148.226 1.00 19.52 N +ATOM 6865 CA HIS D 119 20.538 -1.549 147.504 1.00 21.16 C +ATOM 6866 C HIS D 119 21.026 -1.104 146.118 1.00 22.44 C +ATOM 6867 O HIS D 119 21.925 -0.260 145.995 1.00 23.84 O +ATOM 6868 CB HIS D 119 20.028 -0.358 148.318 1.00 21.26 C +ATOM 6869 CG HIS D 119 18.960 0.425 147.639 1.00 20.63 C +ATOM 6870 ND1 HIS D 119 17.772 -0.138 147.238 1.00 18.76 N +ATOM 6871 CD2 HIS D 119 18.887 1.733 147.307 1.00 20.43 C +ATOM 6872 CE1 HIS D 119 17.027 0.782 146.654 1.00 21.47 C +ATOM 6873 NE2 HIS D 119 17.681 1.928 146.685 1.00 18.56 N +ATOM 6874 N GLY D 120 20.437 -1.684 145.081 1.00 22.83 N +ATOM 6875 CA GLY D 120 20.809 -1.416 143.687 1.00 23.12 C +ATOM 6876 C GLY D 120 20.464 -0.017 143.197 1.00 23.49 C +ATOM 6877 O GLY D 120 21.049 0.457 142.234 1.00 24.48 O +ATOM 6878 N GLY D 121 19.524 0.643 143.865 1.00 23.52 N +ATOM 6879 CA GLY D 121 19.260 2.083 143.663 1.00 22.79 C +ATOM 6880 C GLY D 121 20.436 2.984 144.043 1.00 22.68 C +ATOM 6881 O GLY D 121 20.543 4.114 143.551 1.00 22.86 O +ATOM 6882 N ASN D 122 21.330 2.495 144.904 1.00 22.06 N +ATOM 6883 CA ASN D 122 22.540 3.235 145.246 1.00 21.32 C +ATOM 6884 C ASN D 122 23.611 3.126 144.148 1.00 21.99 C +ATOM 6885 O ASN D 122 23.897 2.044 143.647 1.00 20.78 O +ATOM 6886 CB ASN D 122 23.130 2.732 146.552 1.00 19.69 C +ATOM 6887 CG ASN D 122 22.223 2.939 147.733 1.00 17.61 C +ATOM 6888 OD1 ASN D 122 21.343 3.807 147.737 1.00 19.70 O +ATOM 6889 ND2 ASN D 122 22.464 2.178 148.765 1.00 16.66 N +ATOM 6890 N ASN D 123 24.171 4.280 143.790 1.00 21.05 N +ATOM 6891 CA ASN D 123 25.185 4.421 142.762 1.00 22.53 C +ATOM 6892 C ASN D 123 26.250 5.343 143.313 1.00 20.69 C +ATOM 6893 O ASN D 123 25.939 6.474 143.662 1.00 21.22 O +ATOM 6894 CB ASN D 123 24.564 5.072 141.519 1.00 24.86 C +ATOM 6895 CG ASN D 123 23.711 4.124 140.718 1.00 29.95 C +ATOM 6896 OD1 ASN D 123 24.238 3.203 140.097 1.00 38.81 O +ATOM 6897 ND2 ASN D 123 22.379 4.363 140.694 1.00 28.85 N +ATOM 6898 N PHE D 124 27.477 4.851 143.388 1.00 19.72 N +ATOM 6899 CA PHE D 124 28.605 5.533 144.059 1.00 18.93 C +ATOM 6900 C PHE D 124 29.775 5.993 143.148 1.00 18.87 C +ATOM 6901 O PHE D 124 30.700 6.625 143.638 1.00 18.72 O +ATOM 6902 CB PHE D 124 29.173 4.615 145.161 1.00 20.08 C +ATOM 6903 CG PHE D 124 28.147 4.234 146.200 1.00 18.92 C +ATOM 6904 CD1 PHE D 124 27.773 5.137 147.167 1.00 15.87 C +ATOM 6905 CD2 PHE D 124 27.530 2.991 146.183 1.00 19.45 C +ATOM 6906 CE1 PHE D 124 26.813 4.848 148.085 1.00 15.80 C +ATOM 6907 CE2 PHE D 124 26.569 2.678 147.141 1.00 17.69 C +ATOM 6908 CZ PHE D 124 26.217 3.603 148.095 1.00 15.47 C +ATOM 6909 N LYS D 125 29.706 5.719 141.842 1.00 18.79 N +ATOM 6910 CA LYS D 125 30.816 5.966 140.928 1.00 18.70 C +ATOM 6911 C LYS D 125 31.130 7.436 140.802 1.00 18.70 C +ATOM 6912 O LYS D 125 32.291 7.808 140.848 1.00 20.20 O +ATOM 6913 CB LYS D 125 30.582 5.340 139.534 1.00 19.60 C +ATOM 6914 CG LYS D 125 30.477 3.853 139.553 1.00 18.01 C +ATOM 6915 CD LYS D 125 30.401 3.260 138.181 1.00 24.63 C +ATOM 6916 CE LYS D 125 30.112 1.761 138.271 1.00 26.39 C +ATOM 6917 NZ LYS D 125 29.916 1.257 136.912 1.00 32.21 N +ATOM 6918 N GLY D 126 30.103 8.273 140.694 1.00 17.92 N +ATOM 6919 CA GLY D 126 30.296 9.725 140.690 1.00 18.06 C +ATOM 6920 C GLY D 126 30.956 10.262 141.961 1.00 19.87 C +ATOM 6921 O GLY D 126 31.884 11.104 141.925 1.00 17.69 O +HETATM 6922 N MSE D 127 30.465 9.796 143.106 1.00 20.03 N +HETATM 6923 CA MSE D 127 31.008 10.249 144.396 1.00 19.77 C +HETATM 6924 C MSE D 127 32.462 9.830 144.509 1.00 18.15 C +HETATM 6925 O MSE D 127 33.322 10.599 144.970 1.00 17.38 O +HETATM 6926 CB MSE D 127 30.250 9.596 145.571 1.00 21.33 C +HETATM 6927 CG MSE D 127 28.793 10.035 145.712 1.00 23.77 C +HETATM 6928 SE MSE D 127 27.957 9.084 147.156 0.75 19.43 SE +HETATM 6929 CE MSE D 127 26.161 8.783 146.353 1.00 16.32 C +ATOM 6930 N ILE D 128 32.718 8.595 144.137 1.00 18.07 N +ATOM 6931 CA ILE D 128 34.058 8.048 144.180 1.00 18.07 C +ATOM 6932 C ILE D 128 34.991 8.836 143.243 1.00 17.84 C +ATOM 6933 O ILE D 128 36.122 9.122 143.615 1.00 18.19 O +ATOM 6934 CB ILE D 128 34.044 6.553 143.876 1.00 17.43 C +ATOM 6935 CG1 ILE D 128 33.512 5.760 145.060 1.00 16.40 C +ATOM 6936 CG2 ILE D 128 35.448 6.002 143.541 1.00 14.69 C +ATOM 6937 CD1 ILE D 128 33.160 4.272 144.641 1.00 18.12 C +ATOM 6938 N ARG D 129 34.521 9.218 142.061 1.00 17.58 N +ATOM 6939 CA ARG D 129 35.325 10.032 141.140 1.00 18.40 C +ATOM 6940 C ARG D 129 35.714 11.346 141.782 1.00 19.09 C +ATOM 6941 O ARG D 129 36.882 11.744 141.773 1.00 19.97 O +ATOM 6942 CB ARG D 129 34.587 10.290 139.814 1.00 18.85 C +ATOM 6943 CG ARG D 129 34.588 9.084 138.891 1.00 19.16 C +ATOM 6944 CD ARG D 129 34.121 9.390 137.521 1.00 20.66 C +ATOM 6945 NE ARG D 129 34.464 8.284 136.640 1.00 20.19 N +ATOM 6946 CZ ARG D 129 33.664 7.276 136.344 1.00 22.22 C +ATOM 6947 NH1 ARG D 129 32.417 7.236 136.801 1.00 25.50 N +ATOM 6948 NH2 ARG D 129 34.106 6.312 135.562 1.00 24.21 N +ATOM 6949 N ASP D 130 34.730 12.015 142.347 1.00 18.76 N +ATOM 6950 CA ASP D 130 34.964 13.317 142.926 1.00 19.18 C +ATOM 6951 C ASP D 130 35.872 13.280 144.149 1.00 19.46 C +ATOM 6952 O ASP D 130 36.705 14.182 144.338 1.00 20.08 O +ATOM 6953 CB ASP D 130 33.632 13.986 143.231 1.00 20.20 C +ATOM 6954 CG ASP D 130 32.862 14.395 141.966 1.00 22.06 C +ATOM 6955 OD1 ASP D 130 33.441 14.489 140.865 1.00 20.99 O +ATOM 6956 OD2 ASP D 130 31.656 14.657 142.106 1.00 25.43 O +ATOM 6957 N LEU D 131 35.765 12.212 144.936 1.00 19.26 N +ATOM 6958 CA LEU D 131 36.620 12.036 146.101 1.00 19.82 C +ATOM 6959 C LEU D 131 38.063 11.614 145.798 1.00 20.51 C +ATOM 6960 O LEU D 131 38.939 11.833 146.631 1.00 21.08 O +ATOM 6961 CB LEU D 131 35.973 11.048 147.101 1.00 22.24 C +ATOM 6962 CG LEU D 131 34.792 11.590 147.946 1.00 20.18 C +ATOM 6963 CD1 LEU D 131 33.882 10.439 148.474 1.00 20.27 C +ATOM 6964 CD2 LEU D 131 35.362 12.402 149.051 1.00 15.98 C +ATOM 6965 N ALA D 132 38.293 10.991 144.646 1.00 20.86 N +ATOM 6966 CA ALA D 132 39.604 10.568 144.196 1.00 21.77 C +ATOM 6967 C ALA D 132 40.478 11.773 143.947 1.00 22.13 C +ATOM 6968 O ALA D 132 41.663 11.718 144.151 1.00 23.44 O +ATOM 6969 CB ALA D 132 39.511 9.701 142.917 1.00 18.93 C +ATOM 6970 N PHE D 133 39.870 12.866 143.513 1.00 24.17 N +ATOM 6971 CA PHE D 133 40.583 14.120 143.291 1.00 25.27 C +ATOM 6972 C PHE D 133 40.793 14.884 144.591 1.00 26.23 C +ATOM 6973 O PHE D 133 41.798 15.573 144.739 1.00 27.74 O +ATOM 6974 CB PHE D 133 39.848 14.991 142.262 1.00 24.74 C +ATOM 6975 CG PHE D 133 39.823 14.394 140.872 1.00 27.19 C +ATOM 6976 CD1 PHE D 133 41.011 14.032 140.224 1.00 26.62 C +ATOM 6977 CD2 PHE D 133 38.622 14.183 140.211 1.00 24.59 C +ATOM 6978 CE1 PHE D 133 40.998 13.479 138.949 1.00 26.50 C +ATOM 6979 CE2 PHE D 133 38.603 13.609 138.940 1.00 25.91 C +ATOM 6980 CZ PHE D 133 39.791 13.266 138.299 1.00 24.17 C +ATOM 6981 N GLU D 134 39.862 14.767 145.530 1.00 26.83 N +ATOM 6982 CA GLU D 134 40.002 15.389 146.850 1.00 27.37 C +ATOM 6983 C GLU D 134 41.008 14.689 147.756 1.00 25.73 C +ATOM 6984 O GLU D 134 41.693 15.337 148.536 1.00 24.60 O +ATOM 6985 CB GLU D 134 38.683 15.331 147.608 1.00 30.12 C +ATOM 6986 CG GLU D 134 37.616 16.336 147.229 1.00 42.60 C +ATOM 6987 CD GLU D 134 36.656 16.498 148.383 1.00 56.15 C +ATOM 6988 OE1 GLU D 134 37.093 17.106 149.400 1.00 52.04 O +ATOM 6989 OE2 GLU D 134 35.509 15.977 148.293 1.00 63.36 O +ATOM 6990 N TYR D 135 41.004 13.364 147.710 1.00 23.22 N +ATOM 6991 CA TYR D 135 41.831 12.524 148.576 1.00 22.35 C +ATOM 6992 C TYR D 135 42.558 11.530 147.700 1.00 22.76 C +ATOM 6993 O TYR D 135 42.145 10.389 147.610 1.00 20.70 O +ATOM 6994 CB TYR D 135 40.936 11.773 149.590 1.00 22.16 C +ATOM 6995 CG TYR D 135 40.154 12.675 150.564 1.00 20.54 C +ATOM 6996 CD1 TYR D 135 40.712 13.107 151.761 1.00 23.43 C +ATOM 6997 CD2 TYR D 135 38.865 13.077 150.275 1.00 22.29 C +ATOM 6998 CE1 TYR D 135 40.012 13.933 152.618 1.00 24.10 C +ATOM 6999 CE2 TYR D 135 38.152 13.873 151.133 1.00 21.61 C +ATOM 7000 CZ TYR D 135 38.719 14.291 152.302 1.00 24.16 C +ATOM 7001 OH TYR D 135 37.977 15.089 153.135 1.00 22.38 O +ATOM 7002 N PRO D 136 43.596 11.974 146.974 1.00 24.78 N +ATOM 7003 CA PRO D 136 44.262 11.102 145.985 1.00 25.53 C +ATOM 7004 C PRO D 136 44.997 9.890 146.565 1.00 25.52 C +ATOM 7005 O PRO D 136 45.375 8.987 145.836 1.00 26.61 O +ATOM 7006 CB PRO D 136 45.256 12.037 145.282 1.00 26.84 C +ATOM 7007 CG PRO D 136 45.304 13.293 146.058 1.00 25.79 C +ATOM 7008 CD PRO D 136 44.143 13.347 146.989 1.00 26.66 C +ATOM 7009 N ASP D 137 45.191 9.880 147.874 1.00 25.49 N +ATOM 7010 CA ASP D 137 45.872 8.789 148.544 1.00 25.63 C +ATOM 7011 C ASP D 137 44.904 7.832 149.217 1.00 24.31 C +ATOM 7012 O ASP D 137 45.340 6.952 149.912 1.00 23.17 O +ATOM 7013 CB ASP D 137 46.874 9.341 149.568 1.00 27.23 C +ATOM 7014 CG ASP D 137 46.238 10.297 150.624 1.00 32.83 C +ATOM 7015 OD1 ASP D 137 45.107 10.830 150.442 1.00 31.36 O +ATOM 7016 OD2 ASP D 137 46.922 10.541 151.644 1.00 42.76 O +ATOM 7017 N PHE D 138 43.598 8.039 149.014 1.00 22.86 N +ATOM 7018 CA PHE D 138 42.536 7.258 149.667 1.00 21.34 C +ATOM 7019 C PHE D 138 41.788 6.434 148.596 1.00 21.03 C +ATOM 7020 O PHE D 138 41.109 6.999 147.735 1.00 21.04 O +ATOM 7021 CB PHE D 138 41.591 8.210 150.423 1.00 21.54 C +ATOM 7022 CG PHE D 138 40.687 7.539 151.438 1.00 21.04 C +ATOM 7023 CD1 PHE D 138 39.513 6.937 151.063 1.00 29.99 C +ATOM 7024 CD2 PHE D 138 40.983 7.569 152.780 1.00 24.94 C +ATOM 7025 CE1 PHE D 138 38.691 6.352 152.015 1.00 28.14 C +ATOM 7026 CE2 PHE D 138 40.164 6.986 153.716 1.00 21.81 C +ATOM 7027 CZ PHE D 138 39.039 6.381 153.352 1.00 20.74 C +ATOM 7028 N LEU D 139 41.980 5.109 148.611 1.00 21.19 N +ATOM 7029 CA LEU D 139 41.313 4.200 147.676 1.00 21.16 C +ATOM 7030 C LEU D 139 39.889 3.898 148.138 1.00 21.23 C +ATOM 7031 O LEU D 139 39.694 3.433 149.275 1.00 21.71 O +ATOM 7032 CB LEU D 139 42.067 2.878 147.584 1.00 23.97 C +ATOM 7033 CG LEU D 139 41.422 1.761 146.739 1.00 21.71 C +ATOM 7034 CD1 LEU D 139 41.275 2.222 145.274 1.00 20.88 C +ATOM 7035 CD2 LEU D 139 42.171 0.425 146.869 1.00 21.56 C +ATOM 7036 N ILE D 140 38.907 4.168 147.273 1.00 19.57 N +ATOM 7037 CA ILE D 140 37.531 3.737 147.515 1.00 19.29 C +ATOM 7038 C ILE D 140 37.041 2.818 146.393 1.00 19.13 C +ATOM 7039 O ILE D 140 37.113 3.184 145.218 1.00 19.08 O +ATOM 7040 CB ILE D 140 36.532 4.905 147.647 1.00 17.89 C +ATOM 7041 CG1 ILE D 140 37.031 5.999 148.594 1.00 21.06 C +ATOM 7042 CG2 ILE D 140 35.194 4.387 148.145 1.00 17.69 C +ATOM 7043 CD1 ILE D 140 36.103 7.282 148.572 1.00 15.65 C +ATOM 7044 N ALA D 141 36.568 1.639 146.776 1.00 18.67 N +ATOM 7045 CA ALA D 141 35.953 0.670 145.890 1.00 17.99 C +ATOM 7046 C ALA D 141 34.478 0.541 146.280 1.00 18.07 C +ATOM 7047 O ALA D 141 34.107 0.860 147.409 1.00 18.95 O +ATOM 7048 CB ALA D 141 36.695 -0.700 145.969 1.00 15.44 C +ATOM 7049 N ALA D 142 33.632 0.152 145.339 1.00 17.46 N +ATOM 7050 CA ALA D 142 32.214 -0.106 145.590 1.00 17.95 C +ATOM 7051 C ALA D 142 31.808 -1.445 144.993 1.00 19.19 C +ATOM 7052 O ALA D 142 32.223 -1.754 143.876 1.00 19.38 O +ATOM 7053 CB ALA D 142 31.373 0.953 144.980 1.00 14.29 C +ATOM 7054 N ALA D 143 30.969 -2.201 145.715 1.00 19.85 N +ATOM 7055 CA ALA D 143 30.296 -3.420 145.196 1.00 20.48 C +ATOM 7056 C ALA D 143 28.876 -3.598 145.719 1.00 20.58 C +ATOM 7057 O ALA D 143 28.567 -3.241 146.844 1.00 19.16 O +ATOM 7058 CB ALA D 143 31.067 -4.629 145.559 1.00 19.86 C +ATOM 7059 N ASN D 144 28.006 -4.172 144.891 1.00 20.89 N +ATOM 7060 CA ASN D 144 26.745 -4.716 145.382 1.00 21.70 C +ATOM 7061 C ASN D 144 26.995 -6.160 145.777 1.00 21.15 C +ATOM 7062 O ASN D 144 27.475 -6.932 144.953 1.00 20.90 O +ATOM 7063 CB ASN D 144 25.652 -4.646 144.311 1.00 21.80 C +ATOM 7064 CG ASN D 144 25.212 -3.196 143.995 1.00 27.31 C +ATOM 7065 OD1 ASN D 144 24.790 -2.445 144.883 1.00 29.64 O +ATOM 7066 ND2 ASN D 144 25.281 -2.819 142.719 1.00 21.60 N +ATOM 7067 N TRP D 145 26.632 -6.531 147.007 1.00 19.74 N +ATOM 7068 CA TRP D 145 26.873 -7.896 147.475 1.00 20.33 C +ATOM 7069 C TRP D 145 26.178 -8.923 146.591 1.00 20.08 C +ATOM 7070 O TRP D 145 26.695 -9.999 146.343 1.00 20.49 O +ATOM 7071 CB TRP D 145 26.476 -8.056 148.947 1.00 19.05 C +ATOM 7072 CG TRP D 145 24.990 -8.147 149.173 1.00 18.57 C +ATOM 7073 CD1 TRP D 145 24.140 -7.126 149.537 1.00 16.82 C +ATOM 7074 CD2 TRP D 145 24.187 -9.320 149.068 1.00 20.41 C +ATOM 7075 NE1 TRP D 145 22.867 -7.599 149.669 1.00 18.79 N +ATOM 7076 CE2 TRP D 145 22.852 -8.937 149.367 1.00 18.26 C +ATOM 7077 CE3 TRP D 145 24.456 -10.656 148.719 1.00 19.50 C +ATOM 7078 CZ2 TRP D 145 21.800 -9.834 149.332 1.00 19.14 C +ATOM 7079 CZ3 TRP D 145 23.410 -11.552 148.678 1.00 17.34 C +ATOM 7080 CH2 TRP D 145 22.087 -11.138 148.991 1.00 21.48 C +ATOM 7081 N PHE D 146 25.000 -8.566 146.093 1.00 21.34 N +ATOM 7082 CA PHE D 146 24.197 -9.454 145.277 1.00 21.14 C +ATOM 7083 C PHE D 146 24.672 -9.583 143.815 1.00 21.65 C +ATOM 7084 O PHE D 146 24.038 -10.269 143.045 1.00 23.27 O +ATOM 7085 CB PHE D 146 22.724 -9.054 145.349 1.00 20.89 C +ATOM 7086 CG PHE D 146 22.487 -7.643 145.004 1.00 22.73 C +ATOM 7087 CD1 PHE D 146 22.270 -7.267 143.699 1.00 25.24 C +ATOM 7088 CD2 PHE D 146 22.516 -6.667 145.982 1.00 23.19 C +ATOM 7089 CE1 PHE D 146 22.081 -5.921 143.366 1.00 28.54 C +ATOM 7090 CE2 PHE D 146 22.336 -5.350 145.662 1.00 26.13 C +ATOM 7091 CZ PHE D 146 22.113 -4.970 144.352 1.00 27.32 C +ATOM 7092 N GLU D 147 25.790 -8.955 143.452 1.00 21.52 N +ATOM 7093 CA GLU D 147 26.368 -9.077 142.121 1.00 21.41 C +ATOM 7094 C GLU D 147 27.701 -9.801 142.152 1.00 22.35 C +ATOM 7095 O GLU D 147 28.299 -10.034 141.100 1.00 23.73 O +ATOM 7096 CB GLU D 147 26.547 -7.687 141.482 1.00 20.85 C +ATOM 7097 CG GLU D 147 25.238 -7.013 141.070 1.00 23.17 C +ATOM 7098 CD GLU D 147 25.411 -5.561 140.548 1.00 24.94 C +ATOM 7099 OE1 GLU D 147 26.470 -4.912 140.802 1.00 26.59 O +ATOM 7100 OE2 GLU D 147 24.463 -5.083 139.894 1.00 28.26 O +ATOM 7101 N VAL D 148 28.177 -10.155 143.340 1.00 23.12 N +ATOM 7102 CA VAL D 148 29.471 -10.814 143.471 1.00 22.44 C +ATOM 7103 C VAL D 148 29.418 -12.216 142.846 1.00 23.92 C +ATOM 7104 O VAL D 148 30.385 -12.669 142.253 1.00 22.45 O +ATOM 7105 CB VAL D 148 29.926 -10.863 144.938 1.00 21.74 C +ATOM 7106 CG1 VAL D 148 31.199 -11.719 145.081 1.00 17.47 C +ATOM 7107 CG2 VAL D 148 30.123 -9.418 145.474 1.00 15.35 C +ATOM 7108 N VAL D 149 28.271 -12.884 143.002 1.00 23.37 N +ATOM 7109 CA VAL D 149 28.053 -14.230 142.486 1.00 22.64 C +ATOM 7110 C VAL D 149 26.682 -14.276 141.774 1.00 24.12 C +ATOM 7111 O VAL D 149 25.697 -13.774 142.278 1.00 23.53 O +ATOM 7112 CB VAL D 149 28.128 -15.302 143.630 1.00 21.84 C +ATOM 7113 CG1 VAL D 149 27.793 -16.739 143.135 1.00 20.70 C +ATOM 7114 CG2 VAL D 149 29.468 -15.308 144.247 1.00 20.36 C +ATOM 7115 N SER D 150 26.646 -14.850 140.572 1.00 26.54 N +ATOM 7116 CA SER D 150 25.389 -15.057 139.838 1.00 29.18 C +ATOM 7117 C SER D 150 24.426 -15.957 140.631 1.00 29.42 C +ATOM 7118 O SER D 150 24.852 -16.917 141.254 1.00 29.71 O +ATOM 7119 CB SER D 150 25.660 -15.720 138.470 1.00 28.88 C +ATOM 7120 OG SER D 150 24.452 -16.145 137.834 1.00 31.34 O +ATOM 7121 N PRO D 151 23.131 -15.648 140.609 1.00 31.35 N +ATOM 7122 CA PRO D 151 22.166 -16.519 141.261 1.00 32.60 C +ATOM 7123 C PRO D 151 21.871 -17.845 140.503 1.00 34.00 C +ATOM 7124 O PRO D 151 21.148 -18.688 141.030 1.00 33.44 O +ATOM 7125 CB PRO D 151 20.911 -15.657 141.282 1.00 31.73 C +ATOM 7126 CG PRO D 151 21.018 -14.865 140.056 1.00 32.48 C +ATOM 7127 CD PRO D 151 22.467 -14.479 140.014 1.00 32.13 C +ATOM 7128 N LYS D 152 22.404 -18.021 139.280 1.00 27.70 N +ATOM 7129 CA LYS D 152 22.113 -19.213 138.490 1.00 27.39 C +ATOM 7130 C LYS D 152 22.576 -20.503 139.201 1.00 24.72 C +ATOM 7131 O LYS D 152 23.753 -20.658 139.646 1.00 22.51 O +ATOM 7132 CB LYS D 152 22.715 -19.135 137.062 1.00 27.59 C +ATOM 7133 CG LYS D 152 22.506 -20.449 136.297 1.00 29.80 C +ATOM 7134 CD LYS D 152 23.014 -20.450 134.857 1.00 32.87 C +ATOM 7135 CE LYS D 152 22.246 -21.472 134.007 1.00 34.44 C +ATOM 7136 NZ LYS D 152 22.840 -21.580 132.636 1.00 42.62 N +ATOM 7137 N GLY D 153 21.632 -21.422 139.327 1.00 22.89 N +ATOM 7138 CA GLY D 153 21.870 -22.669 140.014 1.00 22.29 C +ATOM 7139 C GLY D 153 21.678 -22.577 141.504 1.00 24.63 C +ATOM 7140 O GLY D 153 21.606 -23.625 142.154 1.00 26.59 O +ATOM 7141 N TYR D 154 21.608 -21.355 142.056 1.00 28.55 N +ATOM 7142 CA TYR D 154 21.340 -21.180 143.488 1.00 26.17 C +ATOM 7143 C TYR D 154 19.856 -20.997 143.778 1.00 25.06 C +ATOM 7144 O TYR D 154 19.366 -21.471 144.793 1.00 26.34 O +ATOM 7145 CB TYR D 154 22.157 -20.012 144.085 1.00 25.66 C +ATOM 7146 CG TYR D 154 23.634 -20.271 144.119 1.00 20.33 C +ATOM 7147 CD1 TYR D 154 24.189 -21.056 145.109 1.00 20.72 C +ATOM 7148 CD2 TYR D 154 24.480 -19.727 143.166 1.00 19.73 C +ATOM 7149 CE1 TYR D 154 25.564 -21.295 145.151 1.00 23.40 C +ATOM 7150 CE2 TYR D 154 25.850 -19.945 143.208 1.00 20.96 C +ATOM 7151 CZ TYR D 154 26.389 -20.740 144.191 1.00 23.42 C +ATOM 7152 OH TYR D 154 27.738 -21.024 144.214 1.00 22.78 O +ATOM 7153 N PHE D 155 19.136 -20.322 142.899 1.00 25.08 N +ATOM 7154 CA PHE D 155 17.717 -20.031 143.106 1.00 26.68 C +ATOM 7155 C PHE D 155 16.869 -20.425 141.902 1.00 29.25 C +ATOM 7156 O PHE D 155 17.363 -20.474 140.778 1.00 30.76 O +ATOM 7157 CB PHE D 155 17.560 -18.522 143.401 1.00 24.82 C +ATOM 7158 CG PHE D 155 18.358 -18.072 144.590 1.00 24.39 C +ATOM 7159 CD1 PHE D 155 17.987 -18.469 145.870 1.00 21.75 C +ATOM 7160 CD2 PHE D 155 19.520 -17.322 144.426 1.00 22.65 C +ATOM 7161 CE1 PHE D 155 18.733 -18.097 146.978 1.00 21.82 C +ATOM 7162 CE2 PHE D 155 20.279 -16.960 145.503 1.00 23.73 C +ATOM 7163 CZ PHE D 155 19.890 -17.335 146.793 1.00 25.03 C +ATOM 7164 N GLU D 156 15.579 -20.640 142.136 1.00 31.33 N +ATOM 7165 CA GLU D 156 14.682 -21.122 141.104 1.00 31.86 C +ATOM 7166 C GLU D 156 13.968 -20.009 140.357 1.00 34.00 C +ATOM 7167 O GLU D 156 13.985 -20.026 139.147 1.00 34.70 O +ATOM 7168 CB GLU D 156 13.651 -22.086 141.686 1.00 30.88 C +ATOM 7169 CG GLU D 156 14.283 -23.384 142.186 1.00 39.82 C +ATOM 7170 CD GLU D 156 13.308 -24.293 142.934 1.00 35.75 C +ATOM 7171 OE1 GLU D 156 12.245 -24.639 142.360 1.00 39.95 O +ATOM 7172 OE2 GLU D 156 13.631 -24.639 144.094 1.00 45.02 O +ATOM 7173 N ALA D 157 13.337 -19.061 141.069 1.00 34.90 N +ATOM 7174 CA ALA D 157 12.584 -17.965 140.431 1.00 34.73 C +ATOM 7175 C ALA D 157 13.442 -17.261 139.390 1.00 35.78 C +ATOM 7176 O ALA D 157 14.621 -16.977 139.617 1.00 35.19 O +ATOM 7177 CB ALA D 157 12.063 -16.929 141.462 1.00 33.58 C +ATOM 7178 N GLU D 158 12.809 -16.975 138.260 1.00 37.86 N +ATOM 7179 CA GLU D 158 13.447 -16.282 137.143 1.00 41.11 C +ATOM 7180 C GLU D 158 13.545 -14.783 137.428 1.00 37.86 C +ATOM 7181 O GLU D 158 14.609 -14.198 137.288 1.00 38.08 O +ATOM 7182 CB GLU D 158 12.637 -16.521 135.868 1.00 43.53 C +ATOM 7183 CG GLU D 158 13.481 -16.819 134.619 1.00 54.74 C +ATOM 7184 CD GLU D 158 12.719 -17.706 133.631 1.00 65.54 C +ATOM 7185 OE1 GLU D 158 12.766 -18.954 133.783 1.00 62.90 O +ATOM 7186 OE2 GLU D 158 12.064 -17.146 132.719 1.00 67.30 O +ATOM 7187 N ILE D 159 12.424 -14.185 137.820 1.00 35.28 N +ATOM 7188 CA ILE D 159 12.389 -12.797 138.247 1.00 33.94 C +ATOM 7189 C ILE D 159 12.649 -12.776 139.751 1.00 32.71 C +ATOM 7190 O ILE D 159 11.953 -13.438 140.546 1.00 30.80 O +ATOM 7191 CB ILE D 159 11.040 -12.110 137.935 1.00 32.61 C +ATOM 7192 CG1 ILE D 159 10.690 -12.221 136.449 1.00 34.15 C +ATOM 7193 CG2 ILE D 159 11.056 -10.620 138.376 1.00 28.83 C +ATOM 7194 CD1 ILE D 159 9.174 -12.018 136.179 1.00 35.04 C +ATOM 7195 N ASP D 160 13.655 -11.997 140.118 1.00 31.25 N +ATOM 7196 CA ASP D 160 14.120 -11.870 141.482 1.00 32.35 C +ATOM 7197 C ASP D 160 14.936 -10.568 141.520 1.00 32.03 C +ATOM 7198 O ASP D 160 16.169 -10.595 141.394 1.00 32.78 O +ATOM 7199 CB ASP D 160 14.959 -13.089 141.846 1.00 32.80 C +ATOM 7200 CG ASP D 160 15.497 -13.043 143.262 1.00 35.98 C +ATOM 7201 OD1 ASP D 160 15.144 -12.119 144.027 1.00 38.19 O +ATOM 7202 OD2 ASP D 160 16.299 -13.938 143.601 1.00 40.29 O +ATOM 7203 N ASP D 161 14.224 -9.446 141.617 1.00 31.20 N +ATOM 7204 CA ASP D 161 14.826 -8.125 141.586 1.00 30.65 C +ATOM 7205 C ASP D 161 14.818 -7.437 142.948 1.00 29.42 C +ATOM 7206 O ASP D 161 15.702 -6.669 143.249 1.00 30.31 O +ATOM 7207 CB ASP D 161 14.115 -7.235 140.545 1.00 32.40 C +ATOM 7208 CG ASP D 161 14.448 -7.643 139.087 1.00 37.24 C +ATOM 7209 OD1 ASP D 161 15.605 -8.070 138.825 1.00 42.05 O +ATOM 7210 OD2 ASP D 161 13.539 -7.550 138.215 1.00 46.62 O +ATOM 7211 N HIS D 162 13.829 -7.721 143.769 1.00 26.25 N +ATOM 7212 CA HIS D 162 13.675 -7.034 145.022 1.00 23.71 C +ATOM 7213 C HIS D 162 12.816 -7.859 145.973 1.00 22.22 C +ATOM 7214 O HIS D 162 11.665 -8.168 145.647 1.00 20.68 O +ATOM 7215 CB HIS D 162 13.019 -5.692 144.772 1.00 22.48 C +ATOM 7216 CG HIS D 162 12.769 -4.912 146.021 1.00 24.37 C +ATOM 7217 ND1 HIS D 162 13.790 -4.414 146.796 1.00 22.79 N +ATOM 7218 CD2 HIS D 162 11.615 -4.570 146.648 1.00 22.41 C +ATOM 7219 CE1 HIS D 162 13.276 -3.778 147.838 1.00 27.65 C +ATOM 7220 NE2 HIS D 162 11.957 -3.856 147.772 1.00 16.84 N +ATOM 7221 N ALA D 163 13.360 -8.192 147.146 1.00 20.74 N +ATOM 7222 CA ALA D 163 12.626 -8.953 148.150 1.00 21.41 C +ATOM 7223 C ALA D 163 12.136 -10.300 147.600 1.00 23.14 C +ATOM 7224 O ALA D 163 11.092 -10.791 147.996 1.00 23.15 O +ATOM 7225 CB ALA D 163 11.440 -8.132 148.679 1.00 18.67 C +ATOM 7226 N GLY D 164 12.903 -10.886 146.671 1.00 23.69 N +ATOM 7227 CA GLY D 164 12.542 -12.139 146.031 1.00 23.52 C +ATOM 7228 C GLY D 164 13.220 -13.295 146.700 1.00 23.34 C +ATOM 7229 O GLY D 164 13.523 -13.252 147.901 1.00 23.18 O +ATOM 7230 N GLU D 165 13.460 -14.350 145.926 1.00 22.60 N +ATOM 7231 CA GLU D 165 13.931 -15.590 146.491 1.00 22.52 C +ATOM 7232 C GLU D 165 15.342 -15.458 147.080 1.00 22.26 C +ATOM 7233 O GLU D 165 15.629 -16.038 148.125 1.00 22.96 O +ATOM 7234 CB GLU D 165 13.895 -16.705 145.429 1.00 23.06 C +ATOM 7235 CG GLU D 165 14.276 -18.081 145.966 1.00 24.05 C +ATOM 7236 CD GLU D 165 14.202 -19.194 144.903 1.00 24.37 C +ATOM 7237 OE1 GLU D 165 13.346 -19.112 144.001 1.00 25.76 O +ATOM 7238 OE2 GLU D 165 14.968 -20.170 145.000 1.00 22.83 O +ATOM 7239 N SER D 166 16.240 -14.729 146.413 1.00 22.26 N +ATOM 7240 CA SER D 166 17.602 -14.623 146.895 1.00 22.78 C +ATOM 7241 C SER D 166 17.710 -13.792 148.196 1.00 22.90 C +ATOM 7242 O SER D 166 18.327 -14.224 149.174 1.00 24.50 O +ATOM 7243 CB SER D 166 18.582 -14.150 145.791 1.00 24.06 C +ATOM 7244 OG SER D 166 18.188 -12.963 145.147 1.00 25.91 O +ATOM 7245 N GLU D 167 17.113 -12.612 148.227 1.00 23.36 N +ATOM 7246 CA GLU D 167 17.145 -11.826 149.450 1.00 22.96 C +ATOM 7247 C GLU D 167 16.413 -12.551 150.595 1.00 20.81 C +ATOM 7248 O GLU D 167 16.838 -12.472 151.738 1.00 20.51 O +ATOM 7249 CB GLU D 167 16.514 -10.437 149.241 1.00 23.00 C +ATOM 7250 CG GLU D 167 17.477 -9.395 148.792 1.00 19.87 C +ATOM 7251 CD GLU D 167 16.922 -7.982 148.883 1.00 26.51 C +ATOM 7252 OE1 GLU D 167 15.716 -7.774 148.597 1.00 21.44 O +ATOM 7253 OE2 GLU D 167 17.713 -7.075 149.217 1.00 22.24 O +ATOM 7254 N THR D 168 15.289 -13.185 150.279 1.00 19.93 N +ATOM 7255 CA THR D 168 14.475 -13.848 151.285 1.00 20.40 C +ATOM 7256 C THR D 168 15.240 -15.017 151.858 1.00 20.52 C +ATOM 7257 O THR D 168 15.236 -15.182 153.073 1.00 21.70 O +ATOM 7258 CB THR D 168 13.118 -14.388 150.788 1.00 18.19 C +ATOM 7259 OG1 THR D 168 12.335 -13.331 150.265 1.00 16.75 O +ATOM 7260 CG2 THR D 168 12.375 -15.094 151.930 1.00 18.52 C +ATOM 7261 N SER D 169 15.901 -15.799 150.994 1.00 20.51 N +ATOM 7262 CA SER D 169 16.757 -16.910 151.430 1.00 20.26 C +ATOM 7263 C SER D 169 17.924 -16.474 152.312 1.00 21.01 C +ATOM 7264 O SER D 169 18.239 -17.157 153.298 1.00 20.32 O +ATOM 7265 CB SER D 169 17.333 -17.672 150.233 1.00 20.70 C +ATOM 7266 OG SER D 169 16.338 -18.335 149.503 1.00 16.90 O +ATOM 7267 N VAL D 170 18.594 -15.380 151.925 1.00 20.72 N +ATOM 7268 CA VAL D 170 19.749 -14.902 152.664 1.00 19.61 C +ATOM 7269 C VAL D 170 19.328 -14.339 154.056 1.00 20.05 C +ATOM 7270 O VAL D 170 19.997 -14.560 155.033 1.00 22.60 O +ATOM 7271 CB VAL D 170 20.619 -13.923 151.838 1.00 18.68 C +ATOM 7272 CG1 VAL D 170 21.756 -13.404 152.673 1.00 11.98 C +ATOM 7273 CG2 VAL D 170 21.187 -14.617 150.565 1.00 15.68 C +HETATM 7274 N MSE D 171 18.193 -13.667 154.143 1.00 20.04 N +HETATM 7275 CA MSE D 171 17.634 -13.250 155.419 1.00 20.31 C +HETATM 7276 C MSE D 171 17.205 -14.441 156.318 1.00 21.27 C +HETATM 7277 O MSE D 171 17.469 -14.438 157.534 1.00 21.00 O +HETATM 7278 CB MSE D 171 16.434 -12.318 155.203 1.00 19.42 C +HETATM 7279 CG MSE D 171 15.951 -11.592 156.515 1.00 21.76 C +HETATM 7280 SE MSE D 171 17.330 -10.499 157.394 0.75 17.15 SE +HETATM 7281 CE MSE D 171 17.434 -9.120 156.064 1.00 15.91 C +HETATM 7282 N MSE D 172 16.570 -15.446 155.723 1.00 21.56 N +HETATM 7283 CA MSE D 172 16.230 -16.671 156.452 1.00 21.60 C +HETATM 7284 C MSE D 172 17.504 -17.311 157.030 1.00 22.08 C +HETATM 7285 O MSE D 172 17.497 -17.808 158.154 1.00 23.04 O +HETATM 7286 CB MSE D 172 15.430 -17.662 155.573 1.00 19.96 C +HETATM 7287 CG MSE D 172 14.032 -17.184 155.251 1.00 20.31 C +HETATM 7288 SE MSE D 172 13.104 -18.282 153.987 0.75 18.03 SE +HETATM 7289 CE MSE D 172 12.540 -19.714 155.277 1.00 16.79 C +ATOM 7290 N HIS D 173 18.603 -17.241 156.301 1.00 21.63 N +ATOM 7291 CA HIS D 173 19.885 -17.769 156.787 1.00 21.35 C +ATOM 7292 C HIS D 173 20.442 -16.946 157.955 1.00 22.84 C +ATOM 7293 O HIS D 173 20.691 -17.474 159.019 1.00 22.39 O +ATOM 7294 CB HIS D 173 20.905 -17.839 155.654 1.00 22.05 C +ATOM 7295 CG HIS D 173 22.314 -18.092 156.113 1.00 20.42 C +ATOM 7296 ND1 HIS D 173 22.662 -19.190 156.862 1.00 18.02 N +ATOM 7297 CD2 HIS D 173 23.460 -17.394 155.912 1.00 22.23 C +ATOM 7298 CE1 HIS D 173 23.960 -19.153 157.111 1.00 24.42 C +ATOM 7299 NE2 HIS D 173 24.465 -18.068 156.553 1.00 19.16 N +ATOM 7300 N TYR D 174 20.628 -15.644 157.760 1.00 22.70 N +ATOM 7301 CA TYR D 174 21.283 -14.826 158.779 1.00 21.10 C +ATOM 7302 C TYR D 174 20.401 -14.446 159.959 1.00 20.54 C +ATOM 7303 O TYR D 174 20.903 -14.331 161.058 1.00 18.67 O +ATOM 7304 CB TYR D 174 21.832 -13.534 158.164 1.00 21.10 C +ATOM 7305 CG TYR D 174 23.137 -13.693 157.413 1.00 19.93 C +ATOM 7306 CD1 TYR D 174 24.276 -14.210 158.037 1.00 17.74 C +ATOM 7307 CD2 TYR D 174 23.242 -13.278 156.094 1.00 17.62 C +ATOM 7308 CE1 TYR D 174 25.458 -14.362 157.340 1.00 19.89 C +ATOM 7309 CE2 TYR D 174 24.414 -13.395 155.408 1.00 22.06 C +ATOM 7310 CZ TYR D 174 25.523 -13.940 156.016 1.00 19.75 C +ATOM 7311 OH TYR D 174 26.689 -14.023 155.293 1.00 17.41 O +ATOM 7312 N HIS D 175 19.114 -14.178 159.709 1.00 21.37 N +ATOM 7313 CA HIS D 175 18.192 -13.737 160.736 1.00 22.08 C +ATOM 7314 C HIS D 175 16.818 -14.315 160.505 1.00 22.98 C +ATOM 7315 O HIS D 175 15.901 -13.578 160.142 1.00 22.95 O +ATOM 7316 CB HIS D 175 18.023 -12.209 160.760 1.00 23.32 C +ATOM 7317 CG HIS D 175 19.242 -11.478 161.161 1.00 17.86 C +ATOM 7318 ND1 HIS D 175 19.562 -11.253 162.478 1.00 23.40 N +ATOM 7319 CD2 HIS D 175 20.247 -10.950 160.423 1.00 18.42 C +ATOM 7320 CE1 HIS D 175 20.721 -10.621 162.537 1.00 29.41 C +ATOM 7321 NE2 HIS D 175 21.150 -10.416 161.301 1.00 24.82 N +ATOM 7322 N PRO D 176 16.655 -15.623 160.754 1.00 24.55 N +ATOM 7323 CA PRO D 176 15.360 -16.254 160.562 1.00 25.96 C +ATOM 7324 C PRO D 176 14.280 -15.624 161.441 1.00 25.68 C +ATOM 7325 O PRO D 176 13.137 -15.586 161.068 1.00 27.04 O +ATOM 7326 CB PRO D 176 15.616 -17.710 160.962 1.00 25.24 C +ATOM 7327 CG PRO D 176 16.818 -17.703 161.774 1.00 23.25 C +ATOM 7328 CD PRO D 176 17.652 -16.574 161.270 1.00 23.22 C +ATOM 7329 N GLU D 177 14.673 -15.121 162.594 1.00 27.05 N +ATOM 7330 CA GLU D 177 13.777 -14.420 163.486 1.00 27.76 C +ATOM 7331 C GLU D 177 13.128 -13.161 162.882 1.00 27.28 C +ATOM 7332 O GLU D 177 12.126 -12.724 163.410 1.00 26.55 O +ATOM 7333 CB GLU D 177 14.504 -14.067 164.818 1.00 26.98 C +ATOM 7334 CG GLU D 177 15.324 -12.780 164.845 1.00 29.44 C +ATOM 7335 CD GLU D 177 16.782 -12.888 164.292 1.00 31.50 C +ATOM 7336 OE1 GLU D 177 17.300 -13.980 163.965 1.00 27.72 O +ATOM 7337 OE2 GLU D 177 17.424 -11.827 164.210 1.00 30.97 O +ATOM 7338 N LEU D 178 13.690 -12.594 161.801 1.00 26.06 N +ATOM 7339 CA LEU D 178 13.192 -11.322 161.231 1.00 25.55 C +ATOM 7340 C LEU D 178 12.299 -11.481 160.007 1.00 26.57 C +ATOM 7341 O LEU D 178 11.841 -10.483 159.442 1.00 28.08 O +ATOM 7342 CB LEU D 178 14.366 -10.371 160.874 1.00 26.00 C +ATOM 7343 CG LEU D 178 15.258 -9.852 162.006 1.00 23.24 C +ATOM 7344 CD1 LEU D 178 16.366 -8.908 161.486 1.00 18.72 C +ATOM 7345 CD2 LEU D 178 14.422 -9.139 163.042 1.00 22.07 C +ATOM 7346 N VAL D 179 12.063 -12.719 159.588 1.00 26.66 N +ATOM 7347 CA VAL D 179 11.299 -13.003 158.382 1.00 26.70 C +ATOM 7348 C VAL D 179 10.449 -14.239 158.595 1.00 28.06 C +ATOM 7349 O VAL D 179 10.934 -15.261 159.080 1.00 27.76 O +ATOM 7350 CB VAL D 179 12.206 -13.178 157.135 1.00 25.84 C +ATOM 7351 CG1 VAL D 179 13.151 -14.336 157.297 1.00 21.20 C +ATOM 7352 CG2 VAL D 179 11.360 -13.310 155.882 1.00 24.74 C +ATOM 7353 N ASN D 180 9.166 -14.088 158.264 1.00 29.12 N +ATOM 7354 CA ASN D 180 8.185 -15.171 158.185 1.00 27.54 C +ATOM 7355 C ASN D 180 7.786 -15.322 156.732 1.00 26.97 C +ATOM 7356 O ASN D 180 6.996 -14.555 156.223 1.00 26.07 O +ATOM 7357 CB ASN D 180 6.942 -14.832 159.036 1.00 26.60 C +ATOM 7358 CG ASN D 180 7.250 -14.724 160.528 1.00 31.12 C +ATOM 7359 OD1 ASN D 180 8.163 -15.387 161.030 1.00 34.76 O +ATOM 7360 ND2 ASN D 180 6.490 -13.872 161.248 1.00 30.78 N +ATOM 7361 N LEU D 181 8.341 -16.323 156.067 1.00 26.59 N +ATOM 7362 CA LEU D 181 8.030 -16.590 154.669 1.00 26.92 C +ATOM 7363 C LEU D 181 6.511 -16.698 154.384 1.00 26.94 C +ATOM 7364 O LEU D 181 6.068 -16.277 153.344 1.00 26.15 O +ATOM 7365 CB LEU D 181 8.751 -17.860 154.212 1.00 25.76 C +ATOM 7366 CG LEU D 181 8.583 -18.300 152.765 1.00 27.73 C +ATOM 7367 CD1 LEU D 181 9.004 -17.208 151.796 1.00 22.61 C +ATOM 7368 CD2 LEU D 181 9.372 -19.593 152.529 1.00 26.28 C +ATOM 7369 N ALA D 182 5.738 -17.271 155.304 1.00 27.79 N +ATOM 7370 CA ALA D 182 4.288 -17.429 155.109 1.00 28.90 C +ATOM 7371 C ALA D 182 3.550 -16.097 154.903 1.00 29.63 C +ATOM 7372 O ALA D 182 2.463 -16.095 154.378 1.00 30.47 O +ATOM 7373 CB ALA D 182 3.664 -18.225 156.284 1.00 28.31 C +ATOM 7374 N GLU D 183 4.146 -14.971 155.290 1.00 30.66 N +ATOM 7375 CA GLU D 183 3.537 -13.631 155.129 1.00 31.22 C +ATOM 7376 C GLU D 183 3.747 -12.982 153.746 1.00 27.89 C +ATOM 7377 O GLU D 183 3.138 -11.953 153.413 1.00 27.13 O +ATOM 7378 CB GLU D 183 4.103 -12.697 156.209 1.00 31.31 C +ATOM 7379 CG GLU D 183 3.775 -13.131 157.642 1.00 35.32 C +ATOM 7380 CD GLU D 183 4.501 -12.326 158.733 1.00 37.92 C +ATOM 7381 OE1 GLU D 183 5.207 -11.337 158.417 1.00 42.37 O +ATOM 7382 OE2 GLU D 183 4.372 -12.700 159.929 1.00 41.61 O +ATOM 7383 N ALA D 184 4.605 -13.586 152.944 1.00 26.50 N +ATOM 7384 CA ALA D 184 5.031 -13.006 151.672 1.00 25.57 C +ATOM 7385 C ALA D 184 3.905 -12.971 150.637 1.00 26.35 C +ATOM 7386 O ALA D 184 3.101 -13.884 150.567 1.00 26.56 O +ATOM 7387 CB ALA D 184 6.236 -13.775 151.121 1.00 21.01 C +ATOM 7388 N GLY D 185 3.872 -11.896 149.846 1.00 26.07 N +ATOM 7389 CA GLY D 185 3.061 -11.854 148.606 1.00 24.74 C +ATOM 7390 C GLY D 185 3.827 -12.413 147.422 1.00 25.10 C +ATOM 7391 O GLY D 185 4.996 -12.773 147.544 1.00 24.40 O +ATOM 7392 N ASP D 186 3.180 -12.472 146.256 1.00 26.48 N +ATOM 7393 CA ASP D 186 3.782 -13.123 145.066 1.00 27.84 C +ATOM 7394 C ASP D 186 4.816 -12.249 144.361 1.00 27.22 C +ATOM 7395 O ASP D 186 5.579 -12.738 143.548 1.00 26.39 O +ATOM 7396 CB ASP D 186 2.695 -13.517 144.062 1.00 30.57 C +ATOM 7397 CG ASP D 186 1.830 -14.672 144.554 1.00 39.16 C +ATOM 7398 OD1 ASP D 186 2.176 -15.285 145.590 1.00 45.20 O +ATOM 7399 OD2 ASP D 186 0.805 -14.967 143.899 1.00 47.87 O +ATOM 7400 N GLY D 187 4.847 -10.961 144.705 1.00 27.02 N +ATOM 7401 CA GLY D 187 5.808 -10.037 144.125 1.00 26.86 C +ATOM 7402 C GLY D 187 5.610 -9.869 142.630 1.00 26.77 C +ATOM 7403 O GLY D 187 6.567 -9.758 141.889 1.00 25.79 O +ATOM 7404 N GLU D 188 4.357 -9.843 142.199 1.00 28.20 N +ATOM 7405 CA GLU D 188 4.025 -9.672 140.791 1.00 30.65 C +ATOM 7406 C GLU D 188 4.445 -8.250 140.355 1.00 30.46 C +ATOM 7407 O GLU D 188 4.303 -7.281 141.113 1.00 30.07 O +ATOM 7408 CB GLU D 188 2.519 -9.912 140.563 1.00 28.69 C +ATOM 7409 N SER D 189 4.968 -8.141 139.145 1.00 31.70 N +ATOM 7410 CA SER D 189 5.409 -6.864 138.595 1.00 32.81 C +ATOM 7411 C SER D 189 4.851 -6.631 137.188 1.00 33.81 C +ATOM 7412 O SER D 189 4.543 -7.591 136.467 1.00 34.47 O +ATOM 7413 CB SER D 189 6.938 -6.801 138.562 1.00 33.97 C +ATOM 7414 OG SER D 189 7.482 -7.834 137.754 1.00 36.90 O +ATOM 7415 N LYS D 190 4.734 -5.358 136.805 1.00 32.17 N +ATOM 7416 CA LYS D 190 4.200 -4.986 135.512 1.00 34.29 C +ATOM 7417 C LYS D 190 5.200 -4.131 134.762 1.00 31.94 C +ATOM 7418 O LYS D 190 5.856 -3.292 135.344 1.00 31.11 O +ATOM 7419 CB LYS D 190 2.911 -4.206 135.659 1.00 34.20 C +ATOM 7420 CG LYS D 190 1.690 -4.977 136.183 1.00 40.00 C +ATOM 7421 CD LYS D 190 0.501 -4.004 136.347 1.00 42.62 C +ATOM 7422 CE LYS D 190 -0.875 -4.671 136.297 1.00 54.13 C +ATOM 7423 NZ LYS D 190 -1.940 -3.675 135.873 1.00 54.96 N +ATOM 7424 N PRO D 191 5.312 -4.336 133.455 1.00 30.76 N +ATOM 7425 CA PRO D 191 6.256 -3.599 132.673 1.00 29.58 C +ATOM 7426 C PRO D 191 5.760 -2.204 132.280 1.00 27.26 C +ATOM 7427 O PRO D 191 4.619 -1.817 132.548 1.00 26.06 O +ATOM 7428 CB PRO D 191 6.368 -4.454 131.413 1.00 30.88 C +ATOM 7429 CG PRO D 191 4.994 -4.979 131.220 1.00 31.10 C +ATOM 7430 CD PRO D 191 4.538 -5.282 132.623 1.00 32.51 C +ATOM 7431 N PHE D 192 6.636 -1.482 131.598 1.00 26.89 N +ATOM 7432 CA PHE D 192 6.288 -0.213 130.989 1.00 25.65 C +ATOM 7433 C PHE D 192 5.384 -0.394 129.760 1.00 26.09 C +ATOM 7434 O PHE D 192 5.338 -1.465 129.137 1.00 25.56 O +ATOM 7435 CB PHE D 192 7.548 0.521 130.515 1.00 25.15 C +ATOM 7436 CG PHE D 192 8.507 0.907 131.609 1.00 25.55 C +ATOM 7437 CD1 PHE D 192 8.123 1.792 132.634 1.00 23.89 C +ATOM 7438 CD2 PHE D 192 9.834 0.460 131.567 1.00 24.96 C +ATOM 7439 CE1 PHE D 192 9.043 2.180 133.621 1.00 23.99 C +ATOM 7440 CE2 PHE D 192 10.760 0.853 132.540 1.00 24.60 C +ATOM 7441 CZ PHE D 192 10.371 1.718 133.575 1.00 22.56 C +ATOM 7442 N ALA D 193 4.705 0.693 129.398 1.00 26.12 N +ATOM 7443 CA ALA D 193 3.954 0.771 128.153 1.00 27.15 C +ATOM 7444 C ALA D 193 4.843 1.135 126.976 1.00 28.13 C +ATOM 7445 O ALA D 193 4.389 1.130 125.834 1.00 29.53 O +ATOM 7446 CB ALA D 193 2.831 1.795 128.272 1.00 24.53 C +ATOM 7447 N ILE D 194 6.101 1.476 127.253 1.00 28.17 N +ATOM 7448 CA ILE D 194 7.063 1.887 126.236 1.00 25.11 C +ATOM 7449 C ILE D 194 8.006 0.716 126.054 1.00 26.20 C +ATOM 7450 O ILE D 194 8.878 0.451 126.899 1.00 26.59 O +ATOM 7451 CB ILE D 194 7.757 3.211 126.652 1.00 24.81 C +ATOM 7452 CG1 ILE D 194 6.731 4.343 126.691 1.00 22.40 C +ATOM 7453 CG2 ILE D 194 8.896 3.580 125.716 1.00 21.28 C +ATOM 7454 CD1 ILE D 194 7.191 5.624 127.486 1.00 20.37 C +ATOM 7455 N ALA D 195 7.786 -0.011 124.952 1.00 25.75 N +ATOM 7456 CA ALA D 195 8.437 -1.269 124.676 1.00 24.99 C +ATOM 7457 C ALA D 195 9.937 -1.122 124.731 1.00 24.53 C +ATOM 7458 O ALA D 195 10.592 -1.967 125.290 1.00 25.49 O +ATOM 7459 CB ALA D 195 7.977 -1.792 123.303 1.00 24.86 C +ATOM 7460 N SER D 196 10.487 -0.056 124.135 1.00 24.15 N +ATOM 7461 CA SER D 196 11.956 0.164 124.124 1.00 23.70 C +ATOM 7462 C SER D 196 12.560 0.307 125.522 1.00 23.28 C +ATOM 7463 O SER D 196 13.721 0.001 125.728 1.00 23.20 O +ATOM 7464 CB SER D 196 12.306 1.409 123.270 1.00 23.91 C +ATOM 7465 OG SER D 196 11.899 1.257 121.909 1.00 20.99 O +ATOM 7466 N LEU D 197 11.776 0.778 126.491 1.00 23.45 N +ATOM 7467 CA LEU D 197 12.253 0.826 127.885 1.00 24.17 C +ATOM 7468 C LEU D 197 12.327 -0.577 128.532 1.00 25.17 C +ATOM 7469 O LEU D 197 13.297 -0.887 129.239 1.00 25.73 O +ATOM 7470 CB LEU D 197 11.440 1.829 128.712 1.00 22.60 C +ATOM 7471 CG LEU D 197 11.499 3.314 128.289 1.00 22.69 C +ATOM 7472 CD1 LEU D 197 10.598 4.171 129.159 1.00 17.11 C +ATOM 7473 CD2 LEU D 197 12.914 3.914 128.302 1.00 13.65 C +ATOM 7474 N ASN D 198 11.363 -1.444 128.219 1.00 26.73 N +ATOM 7475 CA ASN D 198 11.423 -2.870 128.631 1.00 27.39 C +ATOM 7476 C ASN D 198 12.595 -3.611 127.953 1.00 27.69 C +ATOM 7477 O ASN D 198 13.181 -4.516 128.540 1.00 27.47 O +ATOM 7478 CB ASN D 198 10.094 -3.595 128.351 1.00 24.79 C +ATOM 7479 CG ASN D 198 8.903 -2.951 129.046 1.00 25.59 C +ATOM 7480 OD1 ASN D 198 8.975 -2.565 130.213 1.00 29.57 O +ATOM 7481 ND2 ASN D 198 7.797 -2.824 128.325 1.00 25.54 N +ATOM 7482 N GLU D 199 12.942 -3.201 126.736 1.00 28.44 N +ATOM 7483 CA GLU D 199 14.081 -3.767 125.997 1.00 31.07 C +ATOM 7484 C GLU D 199 15.412 -3.144 126.419 1.00 29.87 C +ATOM 7485 O GLU D 199 16.463 -3.555 125.955 1.00 29.67 O +ATOM 7486 CB GLU D 199 13.888 -3.570 124.492 1.00 29.92 C +ATOM 7487 CG GLU D 199 12.614 -4.192 123.893 1.00 36.22 C +ATOM 7488 CD GLU D 199 12.147 -3.478 122.581 1.00 39.35 C +ATOM 7489 OE1 GLU D 199 12.970 -2.763 121.942 1.00 44.85 O +ATOM 7490 OE2 GLU D 199 10.954 -3.638 122.188 1.00 53.73 O +ATOM 7491 N LYS D 200 15.361 -2.154 127.306 1.00 30.01 N +ATOM 7492 CA LYS D 200 16.563 -1.509 127.876 1.00 30.13 C +ATOM 7493 C LYS D 200 17.380 -0.699 126.872 1.00 27.77 C +ATOM 7494 O LYS D 200 18.585 -0.572 127.029 1.00 28.08 O +ATOM 7495 CB LYS D 200 17.424 -2.520 128.622 1.00 30.93 C +ATOM 7496 CG LYS D 200 16.659 -3.138 129.810 1.00 36.53 C +ATOM 7497 CD LYS D 200 17.538 -4.037 130.689 1.00 39.17 C +ATOM 7498 CE LYS D 200 16.707 -4.641 131.833 1.00 48.34 C +ATOM 7499 NZ LYS D 200 17.427 -5.786 132.479 1.00 54.82 N +ATOM 7500 N VAL D 201 16.703 -0.150 125.850 1.00 25.25 N +ATOM 7501 CA VAL D 201 17.340 0.772 124.874 1.00 24.46 C +ATOM 7502 C VAL D 201 17.767 2.041 125.627 1.00 23.76 C +ATOM 7503 O VAL D 201 18.854 2.597 125.413 1.00 22.89 O +ATOM 7504 CB VAL D 201 16.394 1.130 123.694 1.00 24.20 C +ATOM 7505 CG1 VAL D 201 16.996 2.259 122.778 1.00 18.46 C +ATOM 7506 CG2 VAL D 201 16.066 -0.107 122.872 1.00 23.06 C +ATOM 7507 N ALA D 202 16.913 2.434 126.562 1.00 22.51 N +ATOM 7508 CA ALA D 202 17.211 3.471 127.513 1.00 21.07 C +ATOM 7509 C ALA D 202 16.659 3.089 128.894 1.00 22.09 C +ATOM 7510 O ALA D 202 15.845 2.174 129.030 1.00 22.00 O +ATOM 7511 CB ALA D 202 16.638 4.822 127.035 1.00 18.09 C +ATOM 7512 N TRP D 203 17.136 3.814 129.915 1.00 22.62 N +ATOM 7513 CA TRP D 203 16.745 3.606 131.296 1.00 20.68 C +ATOM 7514 C TRP D 203 15.809 4.712 131.839 1.00 20.16 C +ATOM 7515 O TRP D 203 16.038 5.905 131.643 1.00 18.81 O +ATOM 7516 CB TRP D 203 18.001 3.480 132.142 1.00 18.04 C +ATOM 7517 CG TRP D 203 17.737 3.195 133.591 1.00 20.01 C +ATOM 7518 CD1 TRP D 203 17.682 1.967 134.185 1.00 23.81 C +ATOM 7519 CD2 TRP D 203 17.473 4.149 134.624 1.00 16.91 C +ATOM 7520 NE1 TRP D 203 17.441 2.100 135.525 1.00 22.89 N +ATOM 7521 CE2 TRP D 203 17.286 3.426 135.822 1.00 21.89 C +ATOM 7522 CE3 TRP D 203 17.398 5.555 134.659 1.00 22.74 C +ATOM 7523 CZ2 TRP D 203 17.043 4.055 137.057 1.00 24.89 C +ATOM 7524 CZ3 TRP D 203 17.150 6.180 135.878 1.00 22.51 C +ATOM 7525 CH2 TRP D 203 16.972 5.428 137.059 1.00 24.01 C +ATOM 7526 N VAL D 204 14.732 4.274 132.472 1.00 19.70 N +ATOM 7527 CA VAL D 204 13.838 5.090 133.297 1.00 19.99 C +ATOM 7528 C VAL D 204 13.621 4.245 134.577 1.00 21.67 C +ATOM 7529 O VAL D 204 13.702 3.010 134.551 1.00 21.36 O +ATOM 7530 CB VAL D 204 12.494 5.331 132.601 1.00 19.76 C +ATOM 7531 CG1 VAL D 204 11.435 5.940 133.547 1.00 19.70 C +ATOM 7532 CG2 VAL D 204 12.648 6.230 131.389 1.00 22.04 C +ATOM 7533 N PRO D 205 13.462 4.890 135.731 1.00 21.61 N +ATOM 7534 CA PRO D 205 13.162 4.083 136.922 1.00 22.56 C +ATOM 7535 C PRO D 205 11.740 3.490 136.913 1.00 22.80 C +ATOM 7536 O PRO D 205 10.778 4.168 136.538 1.00 23.22 O +ATOM 7537 CB PRO D 205 13.319 5.093 138.070 1.00 22.77 C +ATOM 7538 CG PRO D 205 13.032 6.412 137.435 1.00 22.05 C +ATOM 7539 CD PRO D 205 13.625 6.320 136.049 1.00 22.63 C +ATOM 7540 N ARG D 206 11.619 2.235 137.319 1.00 23.38 N +ATOM 7541 CA ARG D 206 10.310 1.608 137.522 1.00 25.07 C +ATOM 7542 C ARG D 206 9.491 2.451 138.530 1.00 22.62 C +ATOM 7543 O ARG D 206 10.033 2.983 139.474 1.00 21.33 O +ATOM 7544 CB ARG D 206 10.527 0.176 138.018 1.00 26.33 C +ATOM 7545 CG ARG D 206 9.294 -0.597 138.440 1.00 32.61 C +ATOM 7546 CD ARG D 206 9.628 -1.877 139.272 1.00 33.57 C +ATOM 7547 NE ARG D 206 10.558 -2.845 138.641 1.00 44.08 N +ATOM 7548 CZ ARG D 206 10.240 -3.739 137.688 1.00 47.86 C +ATOM 7549 NH1 ARG D 206 9.006 -3.829 137.171 1.00 44.96 N +ATOM 7550 NH2 ARG D 206 11.187 -4.565 137.249 1.00 46.97 N +ATOM 7551 N HIS D 207 8.197 2.625 138.294 1.00 22.81 N +ATOM 7552 CA HIS D 207 7.345 3.319 139.265 1.00 22.50 C +ATOM 7553 C HIS D 207 6.689 2.242 140.087 1.00 24.00 C +ATOM 7554 O HIS D 207 5.950 1.393 139.565 1.00 23.79 O +ATOM 7555 CB HIS D 207 6.332 4.234 138.602 1.00 22.30 C +ATOM 7556 CG HIS D 207 6.952 5.395 137.887 1.00 23.13 C +ATOM 7557 ND1 HIS D 207 6.313 6.609 137.741 1.00 24.99 N +ATOM 7558 CD2 HIS D 207 8.165 5.534 137.292 1.00 18.16 C +ATOM 7559 CE1 HIS D 207 7.098 7.441 137.078 1.00 20.74 C +ATOM 7560 NE2 HIS D 207 8.225 6.808 136.790 1.00 21.41 N +ATOM 7561 N TRP D 208 7.016 2.229 141.366 1.00 23.90 N +ATOM 7562 CA TRP D 208 6.524 1.193 142.276 1.00 24.34 C +ATOM 7563 C TRP D 208 5.009 1.164 142.371 1.00 25.46 C +ATOM 7564 O TRP D 208 4.406 0.093 142.476 1.00 25.11 O +ATOM 7565 CB TRP D 208 7.121 1.353 143.672 1.00 23.43 C +ATOM 7566 CG TRP D 208 7.992 0.208 144.039 1.00 23.46 C +ATOM 7567 CD1 TRP D 208 7.755 -0.727 145.001 1.00 24.20 C +ATOM 7568 CD2 TRP D 208 9.239 -0.145 143.436 1.00 23.87 C +ATOM 7569 NE1 TRP D 208 8.792 -1.637 145.049 1.00 22.61 N +ATOM 7570 CE2 TRP D 208 9.705 -1.312 144.085 1.00 25.21 C +ATOM 7571 CE3 TRP D 208 10.004 0.406 142.407 1.00 24.43 C +ATOM 7572 CZ2 TRP D 208 10.913 -1.914 143.755 1.00 24.47 C +ATOM 7573 CZ3 TRP D 208 11.191 -0.189 142.089 1.00 27.01 C +ATOM 7574 CH2 TRP D 208 11.634 -1.345 142.750 1.00 27.92 C +ATOM 7575 N ASP D 209 4.396 2.345 142.320 1.00 25.77 N +ATOM 7576 CA ASP D 209 2.949 2.431 142.419 1.00 27.97 C +ATOM 7577 C ASP D 209 2.239 1.822 141.197 1.00 29.26 C +ATOM 7578 O ASP D 209 1.076 1.468 141.316 1.00 29.40 O +ATOM 7579 CB ASP D 209 2.479 3.864 142.686 1.00 27.18 C +ATOM 7580 CG ASP D 209 2.832 4.807 141.577 1.00 29.58 C +ATOM 7581 OD1 ASP D 209 4.004 4.800 141.139 1.00 25.67 O +ATOM 7582 OD2 ASP D 209 1.940 5.569 141.144 1.00 34.55 O +ATOM 7583 N LYS D 210 2.928 1.665 140.051 1.00 29.48 N +ATOM 7584 CA LYS D 210 2.319 1.070 138.849 1.00 29.38 C +ATOM 7585 C LYS D 210 2.826 -0.337 138.537 1.00 29.91 C +ATOM 7586 O LYS D 210 2.131 -1.144 137.916 1.00 31.22 O +ATOM 7587 CB LYS D 210 2.599 1.951 137.650 1.00 29.91 C +ATOM 7588 CG LYS D 210 2.314 3.430 137.849 1.00 30.80 C +ATOM 7589 CD LYS D 210 0.855 3.741 137.702 1.00 39.81 C +ATOM 7590 CE LYS D 210 0.630 5.209 137.411 1.00 45.25 C +ATOM 7591 NZ LYS D 210 1.398 6.082 138.331 1.00 51.40 N +ATOM 7592 N ALA D 211 4.042 -0.629 138.985 1.00 28.93 N +ATOM 7593 CA ALA D 211 4.744 -1.844 138.621 1.00 29.35 C +ATOM 7594 C ALA D 211 4.667 -2.985 139.659 1.00 30.46 C +ATOM 7595 O ALA D 211 5.011 -4.114 139.336 1.00 31.75 O +ATOM 7596 CB ALA D 211 6.187 -1.523 138.324 1.00 27.36 C +ATOM 7597 N THR D 212 4.268 -2.684 140.897 1.00 30.52 N +ATOM 7598 CA THR D 212 4.214 -3.692 141.973 1.00 31.29 C +ATOM 7599 C THR D 212 2.861 -3.587 142.665 1.00 32.32 C +ATOM 7600 O THR D 212 2.180 -2.578 142.539 1.00 34.96 O +ATOM 7601 CB THR D 212 5.306 -3.478 143.082 1.00 33.20 C +ATOM 7602 OG1 THR D 212 4.976 -2.301 143.841 1.00 34.18 O +ATOM 7603 CG2 THR D 212 6.701 -3.329 142.519 1.00 25.22 C +ATOM 7604 N VAL D 213 2.490 -4.637 143.398 1.00 32.59 N +ATOM 7605 CA VAL D 213 1.293 -4.639 144.236 1.00 33.33 C +ATOM 7606 C VAL D 213 1.688 -4.703 145.724 1.00 31.50 C +ATOM 7607 O VAL D 213 1.171 -3.936 146.548 1.00 32.05 O +ATOM 7608 CB VAL D 213 0.375 -5.803 143.886 1.00 34.20 C +ATOM 7609 CG1 VAL D 213 -0.818 -5.834 144.818 1.00 37.54 C +ATOM 7610 CG2 VAL D 213 -0.061 -5.709 142.411 1.00 35.64 C +ATOM 7611 N ASP D 214 2.621 -5.593 146.053 1.00 28.91 N +ATOM 7612 CA ASP D 214 3.047 -5.799 147.435 1.00 28.81 C +ATOM 7613 C ASP D 214 4.391 -5.121 147.776 1.00 27.15 C +ATOM 7614 O ASP D 214 4.853 -5.214 148.904 1.00 25.97 O +ATOM 7615 CB ASP D 214 3.060 -7.318 147.756 1.00 27.08 C +ATOM 7616 CG ASP D 214 3.935 -8.134 146.801 1.00 29.49 C +ATOM 7617 OD1 ASP D 214 4.908 -7.590 146.255 1.00 30.97 O +ATOM 7618 OD2 ASP D 214 3.653 -9.326 146.570 1.00 27.87 O +ATOM 7619 N SER D 215 4.969 -4.405 146.812 1.00 25.78 N +ATOM 7620 CA SER D 215 6.302 -3.737 146.909 1.00 25.43 C +ATOM 7621 C SER D 215 7.477 -4.646 146.532 1.00 25.17 C +ATOM 7622 O SER D 215 8.605 -4.191 146.381 1.00 26.53 O +ATOM 7623 CB SER D 215 6.556 -3.014 148.257 1.00 23.00 C +ATOM 7624 OG SER D 215 7.077 -3.838 149.278 1.00 24.30 O +ATOM 7625 N GLY D 216 7.224 -5.933 146.367 1.00 23.55 N +ATOM 7626 CA GLY D 216 8.275 -6.828 145.961 1.00 22.77 C +ATOM 7627 C GLY D 216 8.279 -6.939 144.463 1.00 22.48 C +ATOM 7628 O GLY D 216 7.262 -6.661 143.812 1.00 21.78 O +ATOM 7629 N VAL D 217 9.438 -7.337 143.928 1.00 23.46 N +ATOM 7630 CA VAL D 217 9.582 -7.711 142.510 1.00 23.79 C +ATOM 7631 C VAL D 217 10.239 -9.105 142.420 1.00 24.48 C +ATOM 7632 O VAL D 217 11.455 -9.268 142.502 1.00 24.35 O +ATOM 7633 CB VAL D 217 10.382 -6.699 141.695 1.00 21.90 C +ATOM 7634 CG1 VAL D 217 10.381 -7.108 140.221 1.00 22.73 C +ATOM 7635 CG2 VAL D 217 9.851 -5.288 141.873 1.00 20.27 C +ATOM 7636 N GLY D 218 9.409 -10.111 142.257 1.00 25.24 N +ATOM 7637 CA GLY D 218 9.884 -11.482 142.241 1.00 26.07 C +ATOM 7638 C GLY D 218 9.185 -12.325 143.285 1.00 26.35 C +ATOM 7639 O GLY D 218 9.039 -11.910 144.439 1.00 26.09 O +ATOM 7640 N ASN D 219 8.800 -13.530 142.881 1.00 27.21 N +ATOM 7641 CA ASN D 219 8.201 -14.504 143.790 1.00 26.52 C +ATOM 7642 C ASN D 219 9.252 -15.096 144.743 1.00 24.47 C +ATOM 7643 O ASN D 219 10.202 -15.764 144.300 1.00 24.78 O +ATOM 7644 CB ASN D 219 7.481 -15.612 143.013 1.00 27.95 C +ATOM 7645 CG ASN D 219 6.437 -16.319 143.860 1.00 31.35 C +ATOM 7646 OD1 ASN D 219 6.625 -16.495 145.071 1.00 29.59 O +ATOM 7647 ND2 ASN D 219 5.313 -16.675 143.250 1.00 25.92 N +ATOM 7648 N PRO D 220 9.084 -14.844 146.055 1.00 23.35 N +ATOM 7649 CA PRO D 220 10.010 -15.355 147.089 1.00 24.91 C +ATOM 7650 C PRO D 220 9.684 -16.747 147.675 1.00 25.88 C +ATOM 7651 O PRO D 220 10.395 -17.239 148.559 1.00 24.11 O +ATOM 7652 CB PRO D 220 9.858 -14.319 148.201 1.00 23.83 C +ATOM 7653 CG PRO D 220 8.419 -13.912 148.119 1.00 22.38 C +ATOM 7654 CD PRO D 220 8.008 -14.032 146.656 1.00 21.09 C +ATOM 7655 N LYS D 221 8.627 -17.374 147.192 1.00 27.33 N +ATOM 7656 CA LYS D 221 7.995 -18.419 147.966 1.00 30.12 C +ATOM 7657 C LYS D 221 8.775 -19.717 148.032 1.00 27.11 C +ATOM 7658 O LYS D 221 8.525 -20.521 148.920 1.00 26.79 O +ATOM 7659 CB LYS D 221 6.540 -18.572 147.528 1.00 28.88 C +ATOM 7660 CG LYS D 221 5.757 -17.284 147.937 1.00 39.95 C +ATOM 7661 CD LYS D 221 4.231 -17.417 147.929 1.00 37.75 C +ATOM 7662 CE LYS D 221 3.584 -16.194 148.552 1.00 41.11 C +ATOM 7663 NZ LYS D 221 2.086 -16.079 148.320 1.00 39.82 N +ATOM 7664 N LYS D 222 9.753 -19.897 147.142 1.00 26.80 N +ATOM 7665 CA LYS D 222 10.642 -21.047 147.211 1.00 26.34 C +ATOM 7666 C LYS D 222 11.933 -20.750 147.974 1.00 25.16 C +ATOM 7667 O LYS D 222 12.863 -21.519 147.933 1.00 24.21 O +ATOM 7668 CB LYS D 222 10.973 -21.533 145.814 1.00 28.66 C +ATOM 7669 CG LYS D 222 9.729 -21.915 145.008 1.00 33.90 C +ATOM 7670 CD LYS D 222 10.135 -22.592 143.720 1.00 43.80 C +ATOM 7671 CE LYS D 222 8.959 -22.840 142.787 1.00 49.27 C +ATOM 7672 NZ LYS D 222 9.476 -22.989 141.389 1.00 52.78 N +ATOM 7673 N ALA D 223 11.981 -19.630 148.681 1.00 24.08 N +ATOM 7674 CA ALA D 223 13.116 -19.308 149.536 1.00 22.69 C +ATOM 7675 C ALA D 223 13.278 -20.326 150.658 1.00 22.62 C +ATOM 7676 O ALA D 223 12.308 -20.847 151.194 1.00 21.73 O +ATOM 7677 CB ALA D 223 12.964 -17.909 150.115 1.00 20.03 C +ATOM 7678 N THR D 224 14.531 -20.606 150.991 1.00 22.13 N +ATOM 7679 CA THR D 224 14.897 -21.375 152.184 1.00 21.98 C +ATOM 7680 C THR D 224 16.194 -20.843 152.805 1.00 21.84 C +ATOM 7681 O THR D 224 17.016 -20.234 152.145 1.00 21.61 O +ATOM 7682 CB THR D 224 15.057 -22.914 151.913 1.00 21.54 C +ATOM 7683 OG1 THR D 224 16.231 -23.163 151.142 1.00 20.71 O +ATOM 7684 CG2 THR D 224 13.865 -23.484 151.184 1.00 20.79 C +ATOM 7685 N ALA D 225 16.370 -21.087 154.093 1.00 21.49 N +ATOM 7686 CA ALA D 225 17.596 -20.741 154.771 1.00 21.66 C +ATOM 7687 C ALA D 225 18.812 -21.468 154.184 1.00 23.79 C +ATOM 7688 O ALA D 225 19.894 -20.920 154.125 1.00 23.74 O +ATOM 7689 CB ALA D 225 17.468 -20.997 156.285 1.00 18.86 C +ATOM 7690 N GLU D 226 18.632 -22.707 153.750 1.00 25.84 N +ATOM 7691 CA GLU D 226 19.742 -23.487 153.252 1.00 24.55 C +ATOM 7692 C GLU D 226 20.227 -22.957 151.894 1.00 23.70 C +ATOM 7693 O GLU D 226 21.423 -22.986 151.610 1.00 23.47 O +ATOM 7694 CB GLU D 226 19.314 -24.942 153.147 1.00 26.43 C +ATOM 7695 CG GLU D 226 20.426 -25.890 152.848 1.00 39.17 C +ATOM 7696 CD GLU D 226 19.999 -26.978 151.880 1.00 51.41 C +ATOM 7697 OE1 GLU D 226 19.240 -26.659 150.927 1.00 55.21 O +ATOM 7698 OE2 GLU D 226 20.434 -28.135 152.075 1.00 43.98 O +ATOM 7699 N LYS D 227 19.307 -22.494 151.063 1.00 22.88 N +ATOM 7700 CA LYS D 227 19.645 -21.797 149.818 1.00 23.66 C +ATOM 7701 C LYS D 227 20.470 -20.529 150.062 1.00 23.43 C +ATOM 7702 O LYS D 227 21.416 -20.260 149.313 1.00 23.40 O +ATOM 7703 CB LYS D 227 18.398 -21.423 149.054 1.00 22.83 C +ATOM 7704 CG LYS D 227 17.802 -22.531 148.213 1.00 22.64 C +ATOM 7705 CD LYS D 227 16.435 -22.068 147.686 1.00 24.95 C +ATOM 7706 CE LYS D 227 15.849 -23.065 146.727 1.00 25.64 C +ATOM 7707 NZ LYS D 227 14.622 -22.527 146.057 1.00 25.75 N +ATOM 7708 N GLY D 228 20.103 -19.767 151.097 1.00 22.94 N +ATOM 7709 CA GLY D 228 20.842 -18.576 151.486 1.00 22.75 C +ATOM 7710 C GLY D 228 22.238 -18.884 152.009 1.00 23.41 C +ATOM 7711 O GLY D 228 23.213 -18.250 151.653 1.00 23.28 O +ATOM 7712 N GLU D 229 22.324 -19.888 152.851 1.00 24.62 N +ATOM 7713 CA GLU D 229 23.580 -20.337 153.400 1.00 26.55 C +ATOM 7714 C GLU D 229 24.552 -20.761 152.331 1.00 25.18 C +ATOM 7715 O GLU D 229 25.723 -20.422 152.423 1.00 24.64 O +ATOM 7716 CB GLU D 229 23.337 -21.523 154.344 1.00 26.36 C +ATOM 7717 CG GLU D 229 24.598 -22.232 154.832 1.00 29.48 C +ATOM 7718 CD GLU D 229 24.280 -23.535 155.566 1.00 35.49 C +ATOM 7719 OE1 GLU D 229 23.453 -24.344 155.083 1.00 45.16 O +ATOM 7720 OE2 GLU D 229 24.866 -23.749 156.645 1.00 51.72 O +ATOM 7721 N ARG D 230 24.061 -21.513 151.345 1.00 24.90 N +ATOM 7722 CA ARG D 230 24.867 -21.990 150.221 1.00 26.78 C +ATOM 7723 C ARG D 230 25.381 -20.840 149.315 1.00 24.65 C +ATOM 7724 O ARG D 230 26.558 -20.808 148.934 1.00 25.28 O +ATOM 7725 CB ARG D 230 24.068 -22.993 149.381 1.00 26.50 C +ATOM 7726 CG ARG D 230 24.797 -23.376 148.077 1.00 32.52 C +ATOM 7727 CD ARG D 230 24.030 -24.355 147.191 1.00 30.10 C +ATOM 7728 NE ARG D 230 23.579 -25.493 147.989 1.00 32.93 N +ATOM 7729 CZ ARG D 230 22.321 -25.707 148.387 1.00 36.67 C +ATOM 7730 NH1 ARG D 230 21.322 -24.870 148.037 1.00 29.98 N +ATOM 7731 NH2 ARG D 230 22.049 -26.791 149.119 1.00 40.21 N +ATOM 7732 N TYR D 231 24.494 -19.914 149.006 1.00 22.84 N +ATOM 7733 CA TYR D 231 24.783 -18.745 148.158 1.00 22.84 C +ATOM 7734 C TYR D 231 25.826 -17.792 148.742 1.00 22.20 C +ATOM 7735 O TYR D 231 26.715 -17.349 148.026 1.00 24.33 O +ATOM 7736 CB TYR D 231 23.476 -17.972 147.876 1.00 21.43 C +ATOM 7737 CG TYR D 231 23.581 -16.841 146.875 1.00 24.75 C +ATOM 7738 CD1 TYR D 231 24.229 -17.003 145.638 1.00 22.41 C +ATOM 7739 CD2 TYR D 231 23.013 -15.610 147.151 1.00 21.79 C +ATOM 7740 CE1 TYR D 231 24.309 -15.912 144.707 1.00 21.55 C +ATOM 7741 CE2 TYR D 231 23.085 -14.530 146.238 1.00 19.69 C +ATOM 7742 CZ TYR D 231 23.745 -14.686 145.033 1.00 20.45 C +ATOM 7743 OH TYR D 231 23.798 -13.596 144.174 1.00 23.46 O +ATOM 7744 N VAL D 232 25.711 -17.462 150.021 1.00 22.40 N +ATOM 7745 CA VAL D 232 26.629 -16.484 150.632 1.00 22.07 C +ATOM 7746 C VAL D 232 28.040 -17.018 150.819 1.00 23.34 C +ATOM 7747 O VAL D 232 28.963 -16.216 150.913 1.00 23.28 O +ATOM 7748 CB VAL D 232 26.155 -15.953 152.012 1.00 23.32 C +ATOM 7749 CG1 VAL D 232 24.729 -15.400 151.956 1.00 22.17 C +ATOM 7750 CG2 VAL D 232 26.271 -17.024 153.086 1.00 20.63 C +ATOM 7751 N LYS D 233 28.226 -18.342 150.875 1.00 23.16 N +ATOM 7752 CA ALYS D 233 29.575 -18.934 151.016 0.50 22.55 C +ATOM 7753 CA BLYS D 233 29.583 -18.905 151.036 0.50 22.94 C +ATOM 7754 C LYS D 233 30.588 -18.416 149.969 1.00 22.30 C +ATOM 7755 O LYS D 233 31.638 -17.902 150.310 1.00 23.26 O +ATOM 7756 CB ALYS D 233 29.514 -20.475 150.964 0.50 22.86 C +ATOM 7757 CB BLYS D 233 29.579 -20.447 151.113 0.50 23.50 C +ATOM 7758 CG ALYS D 233 29.002 -21.138 152.233 0.50 20.32 C +ATOM 7759 CG BLYS D 233 31.000 -21.051 151.191 0.50 22.91 C +ATOM 7760 CD ALYS D 233 28.975 -22.654 152.099 0.50 22.39 C +ATOM 7761 CD BLYS D 233 31.033 -22.434 151.798 0.50 23.10 C +ATOM 7762 CE ALYS D 233 28.002 -23.334 153.060 0.50 24.10 C +ATOM 7763 CE BLYS D 233 32.450 -22.980 151.821 0.50 28.63 C +ATOM 7764 NZ ALYS D 233 27.314 -24.458 152.364 0.50 21.31 N +ATOM 7765 NZ BLYS D 233 32.448 -24.450 152.031 0.50 28.87 N +ATOM 7766 N PRO D 234 30.281 -18.566 148.679 1.00 21.62 N +ATOM 7767 CA PRO D 234 31.223 -17.975 147.690 1.00 22.01 C +ATOM 7768 C PRO D 234 31.281 -16.439 147.639 1.00 20.56 C +ATOM 7769 O PRO D 234 32.296 -15.900 147.238 1.00 20.87 O +ATOM 7770 CB PRO D 234 30.706 -18.516 146.342 1.00 21.86 C +ATOM 7771 CG PRO D 234 29.231 -18.678 146.579 1.00 20.97 C +ATOM 7772 CD PRO D 234 29.170 -19.242 148.007 1.00 23.08 C +ATOM 7773 N ILE D 235 30.199 -15.746 147.984 1.00 21.52 N +ATOM 7774 CA ILE D 235 30.194 -14.268 148.099 1.00 20.49 C +ATOM 7775 C ILE D 235 31.204 -13.850 149.174 1.00 20.75 C +ATOM 7776 O ILE D 235 32.111 -13.051 148.925 1.00 22.09 O +ATOM 7777 CB ILE D 235 28.772 -13.712 148.442 1.00 21.03 C +ATOM 7778 CG1 ILE D 235 27.765 -14.037 147.334 1.00 13.82 C +ATOM 7779 CG2 ILE D 235 28.790 -12.196 148.713 1.00 18.08 C +ATOM 7780 CD1 ILE D 235 26.318 -13.761 147.768 1.00 16.68 C +ATOM 7781 N VAL D 236 31.056 -14.427 150.363 1.00 20.29 N +ATOM 7782 CA VAL D 236 31.975 -14.199 151.472 1.00 20.39 C +ATOM 7783 C VAL D 236 33.447 -14.515 151.096 1.00 21.65 C +ATOM 7784 O VAL D 236 34.379 -13.767 151.456 1.00 22.32 O +ATOM 7785 CB VAL D 236 31.520 -15.011 152.759 1.00 21.54 C +ATOM 7786 CG1 VAL D 236 32.639 -15.064 153.789 1.00 19.96 C +ATOM 7787 CG2 VAL D 236 30.257 -14.419 153.373 1.00 17.07 C +ATOM 7788 N GLU D 237 33.672 -15.617 150.380 1.00 22.77 N +ATOM 7789 CA GLU D 237 35.010 -16.008 150.018 1.00 23.31 C +ATOM 7790 C GLU D 237 35.633 -15.027 149.005 1.00 21.95 C +ATOM 7791 O GLU D 237 36.807 -14.673 149.137 1.00 22.14 O +ATOM 7792 CB GLU D 237 35.011 -17.438 149.461 1.00 25.49 C +ATOM 7793 CG GLU D 237 36.363 -18.155 149.532 1.00 31.98 C +ATOM 7794 CD GLU D 237 37.366 -17.657 148.490 1.00 39.50 C +ATOM 7795 OE1 GLU D 237 36.918 -17.085 147.471 1.00 45.63 O +ATOM 7796 OE2 GLU D 237 38.594 -17.853 148.684 1.00 39.11 O +ATOM 7797 N LYS D 238 34.878 -14.620 147.985 1.00 21.85 N +ATOM 7798 CA LYS D 238 35.375 -13.625 147.029 1.00 23.13 C +ATOM 7799 C LYS D 238 35.623 -12.250 147.661 1.00 22.24 C +ATOM 7800 O LYS D 238 36.635 -11.597 147.370 1.00 21.74 O +ATOM 7801 CB LYS D 238 34.434 -13.481 145.845 1.00 25.74 C +ATOM 7802 CG LYS D 238 34.693 -14.414 144.667 1.00 29.28 C +ATOM 7803 CD LYS D 238 33.786 -14.042 143.468 1.00 32.03 C +ATOM 7804 CE LYS D 238 33.759 -15.107 142.377 1.00 43.35 C +ATOM 7805 NZ LYS D 238 35.077 -15.808 142.184 1.00 48.00 N +ATOM 7806 N LEU D 239 34.703 -11.800 148.526 1.00 22.19 N +ATOM 7807 CA LEU D 239 34.917 -10.542 149.252 1.00 21.36 C +ATOM 7808 C LEU D 239 36.115 -10.636 150.187 1.00 20.90 C +ATOM 7809 O LEU D 239 36.880 -9.714 150.237 1.00 20.08 O +ATOM 7810 CB LEU D 239 33.675 -10.117 150.048 1.00 21.03 C +ATOM 7811 CG LEU D 239 32.525 -9.616 149.198 1.00 18.56 C +ATOM 7812 CD1 LEU D 239 31.250 -9.537 150.038 1.00 17.95 C +ATOM 7813 CD2 LEU D 239 32.956 -8.236 148.565 1.00 21.12 C +ATOM 7814 N ALA D 240 36.258 -11.731 150.926 1.00 20.63 N +ATOM 7815 CA ALA D 240 37.454 -11.940 151.765 1.00 20.33 C +ATOM 7816 C ALA D 240 38.744 -11.743 150.973 1.00 20.39 C +ATOM 7817 O ALA D 240 39.681 -11.109 151.451 1.00 22.01 O +ATOM 7818 CB ALA D 240 37.426 -13.342 152.427 1.00 17.88 C +ATOM 7819 N GLY D 241 38.786 -12.334 149.779 1.00 21.04 N +ATOM 7820 CA GLY D 241 39.908 -12.207 148.846 1.00 21.14 C +ATOM 7821 C GLY D 241 40.196 -10.784 148.405 1.00 21.81 C +ATOM 7822 O GLY D 241 41.355 -10.375 148.353 1.00 21.71 O +ATOM 7823 N LEU D 242 39.144 -10.042 148.084 1.00 21.17 N +ATOM 7824 CA LEU D 242 39.257 -8.617 147.758 1.00 21.20 C +ATOM 7825 C LEU D 242 39.797 -7.807 148.918 1.00 21.73 C +ATOM 7826 O LEU D 242 40.631 -6.933 148.713 1.00 20.92 O +ATOM 7827 CB LEU D 242 37.925 -8.043 147.323 1.00 18.42 C +ATOM 7828 CG LEU D 242 37.777 -6.525 147.191 1.00 22.68 C +ATOM 7829 CD1 LEU D 242 38.433 -5.986 145.932 1.00 21.50 C +ATOM 7830 CD2 LEU D 242 36.307 -6.161 147.212 1.00 17.94 C +ATOM 7831 N PHE D 243 39.325 -8.080 150.131 1.00 22.19 N +ATOM 7832 CA PHE D 243 39.832 -7.357 151.310 1.00 23.35 C +ATOM 7833 C PHE D 243 41.342 -7.619 151.466 1.00 23.66 C +ATOM 7834 O PHE D 243 42.101 -6.690 151.712 1.00 24.80 O +ATOM 7835 CB PHE D 243 39.149 -7.780 152.625 1.00 22.47 C +ATOM 7836 CG PHE D 243 37.645 -7.584 152.692 1.00 22.71 C +ATOM 7837 CD1 PHE D 243 36.923 -6.950 151.701 1.00 24.19 C +ATOM 7838 CD2 PHE D 243 36.957 -8.038 153.827 1.00 24.57 C +ATOM 7839 CE1 PHE D 243 35.548 -6.790 151.806 1.00 22.31 C +ATOM 7840 CE2 PHE D 243 35.562 -7.859 153.960 1.00 22.81 C +ATOM 7841 CZ PHE D 243 34.857 -7.253 152.933 1.00 22.22 C +ATOM 7842 N GLU D 244 41.756 -8.883 151.349 1.00 23.33 N +ATOM 7843 CA GLU D 244 43.177 -9.264 151.451 1.00 24.30 C +ATOM 7844 C GLU D 244 44.018 -8.569 150.374 1.00 23.99 C +ATOM 7845 O GLU D 244 45.043 -7.977 150.680 1.00 25.43 O +ATOM 7846 CB GLU D 244 43.342 -10.777 151.370 1.00 23.39 C +ATOM 7847 CG GLU D 244 42.722 -11.514 152.551 1.00 25.95 C +ATOM 7848 CD GLU D 244 42.554 -13.040 152.362 1.00 25.87 C +ATOM 7849 OE1 GLU D 244 42.522 -13.520 151.234 1.00 26.81 O +ATOM 7850 OE2 GLU D 244 42.452 -13.756 153.376 1.00 29.69 O +ATOM 7851 N GLU D 245 43.562 -8.602 149.131 1.00 24.19 N +ATOM 7852 CA GLU D 245 44.288 -7.985 148.024 1.00 25.08 C +ATOM 7853 C GLU D 245 44.350 -6.469 148.210 1.00 25.91 C +ATOM 7854 O GLU D 245 45.374 -5.857 147.992 1.00 26.51 O +ATOM 7855 CB GLU D 245 43.654 -8.369 146.692 1.00 23.17 C +ATOM 7856 CG GLU D 245 43.859 -9.847 146.334 1.00 25.62 C +ATOM 7857 CD GLU D 245 42.862 -10.416 145.293 1.00 26.30 C +ATOM 7858 OE1 GLU D 245 41.976 -9.684 144.799 1.00 24.65 O +ATOM 7859 OE2 GLU D 245 42.993 -11.615 144.968 1.00 31.17 O +HETATM 7860 N MSE D 246 43.249 -5.870 148.641 1.00 25.84 N +HETATM 7861 CA MSE D 246 43.265 -4.445 148.990 1.00 26.06 C +HETATM 7862 C MSE D 246 44.293 -4.074 150.081 1.00 28.34 C +HETATM 7863 O MSE D 246 44.910 -3.022 150.004 1.00 28.42 O +HETATM 7864 CB MSE D 246 41.868 -3.977 149.389 1.00 25.80 C +HETATM 7865 CG MSE D 246 40.891 -3.935 148.237 1.00 23.22 C +HETATM 7866 SE MSE D 246 39.127 -3.241 148.797 0.75 18.58 SE +HETATM 7867 CE MSE D 246 39.586 -1.260 148.907 1.00 20.81 C +ATOM 7868 N ALA D 247 44.461 -4.946 151.077 1.00 29.69 N +ATOM 7869 CA ALA D 247 45.407 -4.723 152.171 1.00 30.53 C +ATOM 7870 C ALA D 247 46.842 -4.947 151.749 1.00 30.54 C +ATOM 7871 O ALA D 247 47.729 -4.309 152.264 1.00 31.25 O +ATOM 7872 CB ALA D 247 45.086 -5.645 153.335 1.00 27.24 C +ATOM 7873 N GLN D 248 47.064 -5.874 150.827 1.00 30.49 N +ATOM 7874 CA GLN D 248 48.404 -6.339 150.519 1.00 33.47 C +ATOM 7875 C GLN D 248 49.022 -5.774 149.229 1.00 33.51 C +ATOM 7876 O GLN D 248 50.215 -5.904 149.036 1.00 34.19 O +ATOM 7877 CB GLN D 248 48.410 -7.870 150.528 1.00 34.05 C +ATOM 7878 CG GLN D 248 48.060 -8.413 151.932 1.00 36.39 C +ATOM 7879 CD GLN D 248 48.018 -9.910 152.011 1.00 36.69 C +ATOM 7880 OE1 GLN D 248 47.680 -10.589 151.042 1.00 43.44 O +ATOM 7881 NE2 GLN D 248 48.349 -10.442 153.189 1.00 39.69 N +ATOM 7882 N HIS D 249 48.221 -5.133 148.377 1.00 33.08 N +ATOM 7883 CA HIS D 249 48.718 -4.575 147.103 1.00 32.93 C +ATOM 7884 C HIS D 249 48.362 -3.109 146.969 1.00 32.22 C +ATOM 7885 O HIS D 249 47.312 -2.679 147.415 1.00 32.66 O +ATOM 7886 CB HIS D 249 48.124 -5.327 145.888 1.00 32.67 C +ATOM 7887 CG HIS D 249 48.525 -6.765 145.803 1.00 33.27 C +ATOM 7888 ND1 HIS D 249 49.634 -7.187 145.104 1.00 36.82 N +ATOM 7889 CD2 HIS D 249 47.962 -7.881 146.324 1.00 35.20 C +ATOM 7890 CE1 HIS D 249 49.744 -8.500 145.209 1.00 40.62 C +ATOM 7891 NE2 HIS D 249 48.746 -8.943 145.949 1.00 36.39 N +ATOM 7892 N ASP D 250 49.239 -2.352 146.326 1.00 31.73 N +ATOM 7893 CA ASP D 250 48.847 -1.070 145.788 1.00 31.50 C +ATOM 7894 C ASP D 250 47.890 -1.355 144.629 1.00 28.23 C +ATOM 7895 O ASP D 250 47.888 -2.445 144.090 1.00 27.46 O +ATOM 7896 CB ASP D 250 50.071 -0.248 145.306 1.00 32.23 C +ATOM 7897 CG ASP D 250 51.004 0.191 146.456 1.00 39.36 C +ATOM 7898 OD1 ASP D 250 50.541 0.368 147.590 1.00 41.85 O +ATOM 7899 OD2 ASP D 250 52.218 0.374 146.213 1.00 49.42 O +ATOM 7900 N LEU D 251 47.086 -0.364 144.256 1.00 26.34 N +ATOM 7901 CA LEU D 251 46.139 -0.483 143.164 1.00 25.84 C +ATOM 7902 C LEU D 251 46.817 -0.854 141.832 1.00 25.78 C +ATOM 7903 O LEU D 251 46.277 -1.617 141.041 1.00 24.00 O +ATOM 7904 CB LEU D 251 45.374 0.844 143.004 1.00 25.07 C +ATOM 7905 CG LEU D 251 44.225 0.868 141.985 1.00 26.64 C +ATOM 7906 CD1 LEU D 251 43.195 -0.246 142.310 1.00 17.84 C +ATOM 7907 CD2 LEU D 251 43.599 2.266 141.970 1.00 21.52 C +ATOM 7908 N TYR D 252 47.977 -0.259 141.579 1.00 26.80 N +ATOM 7909 CA TYR D 252 48.804 -0.587 140.434 1.00 28.19 C +ATOM 7910 C TYR D 252 50.221 -0.859 140.939 1.00 31.56 C +ATOM 7911 O TYR D 252 50.729 -0.158 141.822 1.00 31.17 O +ATOM 7912 CB TYR D 252 48.808 0.562 139.426 1.00 26.76 C +ATOM 7913 CG TYR D 252 47.490 0.803 138.706 1.00 21.07 C +ATOM 7914 CD1 TYR D 252 47.207 0.167 137.510 1.00 20.27 C +ATOM 7915 CD2 TYR D 252 46.557 1.722 139.201 1.00 21.99 C +ATOM 7916 CE1 TYR D 252 46.024 0.396 136.831 1.00 21.94 C +ATOM 7917 CE2 TYR D 252 45.352 1.951 138.542 1.00 17.48 C +ATOM 7918 CZ TYR D 252 45.095 1.295 137.356 1.00 22.94 C +ATOM 7919 OH TYR D 252 43.925 1.550 136.690 1.00 21.37 O +ATOM 7920 N GLU D 253 50.845 -1.891 140.391 1.00 36.33 N +ATOM 7921 CA AGLU D 253 52.168 -2.324 140.832 0.50 36.38 C +ATOM 7922 CA BGLU D 253 52.177 -2.295 140.822 0.50 38.29 C +ATOM 7923 C GLU D 253 53.094 -2.535 139.612 1.00 43.66 C +ATOM 7924 O GLU D 253 52.647 -2.473 138.470 1.00 45.72 O +ATOM 7925 CB AGLU D 253 52.047 -3.560 141.764 0.50 34.70 C +ATOM 7926 CB BGLU D 253 52.090 -3.504 141.777 0.50 37.21 C +ATOM 7927 CG AGLU D 253 51.374 -3.220 143.111 0.50 25.32 C +ATOM 7928 CG BGLU D 253 51.779 -4.851 141.136 0.50 37.10 C +ATOM 7929 CD AGLU D 253 51.491 -4.287 144.199 0.50 29.14 C +ATOM 7930 CD BGLU D 253 51.727 -5.975 142.158 0.50 32.93 C +ATOM 7931 OE1AGLU D 253 51.353 -5.487 143.897 0.50 9.60 O +ATOM 7932 OE1BGLU D 253 51.490 -5.690 143.346 0.50 26.04 O +ATOM 7933 OE2AGLU D 253 51.698 -3.919 145.382 0.50 12.39 O +ATOM 7934 OE2BGLU D 253 51.925 -7.142 141.776 0.50 21.90 O +ATOM 7935 OXTAGLU D 253 54.306 -2.725 139.716 0.50 42.11 O +ATOM 7936 OXTBGLU D 253 54.302 -2.749 139.718 0.50 42.52 O +TER 7937 GLU D 253 +HETATM 7938 N MSE E 1 22.589 19.884 107.080 1.00 39.27 N +HETATM 7939 CA MSE E 1 22.056 20.862 108.074 1.00 40.03 C +HETATM 7940 C MSE E 1 20.544 20.704 108.187 1.00 37.40 C +HETATM 7941 O MSE E 1 19.844 20.813 107.183 1.00 37.98 O +HETATM 7942 CB MSE E 1 22.407 22.284 107.659 1.00 39.27 C +HETATM 7943 CG MSE E 1 21.789 23.366 108.516 1.00 42.75 C +HETATM 7944 SE MSE E 1 22.440 25.164 108.067 0.75 48.07 SE +HETATM 7945 CE MSE E 1 24.360 24.713 108.286 1.00 41.09 C +ATOM 7946 N ASN E 2 20.048 20.462 109.397 1.00 33.35 N +ATOM 7947 CA ASN E 2 18.608 20.304 109.633 1.00 31.12 C +ATOM 7948 C ASN E 2 18.059 21.203 110.757 1.00 29.61 C +ATOM 7949 O ASN E 2 18.122 20.831 111.936 1.00 27.82 O +ATOM 7950 CB ASN E 2 18.283 18.836 109.923 1.00 29.43 C +ATOM 7951 CG ASN E 2 16.806 18.536 109.783 1.00 29.77 C +ATOM 7952 OD1 ASN E 2 15.969 19.429 109.934 1.00 34.24 O +ATOM 7953 ND2 ASN E 2 16.475 17.298 109.451 1.00 23.42 N +ATOM 7954 N LYS E 3 17.488 22.350 110.394 1.00 28.51 N +ATOM 7955 CA LYS E 3 16.997 23.317 111.397 1.00 29.87 C +ATOM 7956 C LYS E 3 15.768 22.846 112.169 1.00 28.73 C +ATOM 7957 O LYS E 3 15.483 23.365 113.266 1.00 28.06 O +ATOM 7958 CB LYS E 3 16.702 24.669 110.756 1.00 30.69 C +ATOM 7959 CG LYS E 3 17.947 25.419 110.208 1.00 33.42 C +ATOM 7960 CD LYS E 3 17.577 26.854 109.780 1.00 31.85 C +ATOM 7961 CE LYS E 3 18.801 27.654 109.262 1.00 37.58 C +ATOM 7962 NZ LYS E 3 18.428 29.082 108.903 1.00 33.13 N +ATOM 7963 N GLU E 4 15.055 21.857 111.624 1.00 27.29 N +ATOM 7964 CA GLU E 4 13.871 21.349 112.281 1.00 27.60 C +ATOM 7965 C GLU E 4 14.189 20.559 113.568 1.00 23.56 C +ATOM 7966 O GLU E 4 13.424 20.641 114.527 1.00 24.55 O +ATOM 7967 CB GLU E 4 13.064 20.481 111.320 1.00 27.20 C +ATOM 7968 CG GLU E 4 11.640 20.161 111.798 1.00 31.00 C +ATOM 7969 CD GLU E 4 10.777 19.493 110.711 1.00 33.24 C +ATOM 7970 OE1 GLU E 4 11.303 19.162 109.614 1.00 42.62 O +ATOM 7971 OE2 GLU E 4 9.569 19.301 110.946 1.00 32.45 O +ATOM 7972 N VAL E 5 15.296 19.820 113.591 1.00 21.45 N +ATOM 7973 CA VAL E 5 15.605 18.900 114.700 1.00 20.73 C +ATOM 7974 C VAL E 5 16.955 19.094 115.382 1.00 20.54 C +ATOM 7975 O VAL E 5 17.280 18.388 116.342 1.00 20.30 O +ATOM 7976 CB VAL E 5 15.477 17.375 114.280 1.00 19.82 C +ATOM 7977 CG1 VAL E 5 14.063 17.065 113.802 1.00 16.82 C +ATOM 7978 CG2 VAL E 5 16.561 16.944 113.264 1.00 16.65 C +ATOM 7979 N ASP E 6 17.746 20.031 114.899 1.00 19.62 N +ATOM 7980 CA ASP E 6 19.082 20.242 115.391 1.00 19.55 C +ATOM 7981 C ASP E 6 19.212 21.691 115.858 1.00 20.14 C +ATOM 7982 O ASP E 6 19.380 22.601 115.031 1.00 20.17 O +ATOM 7983 CB ASP E 6 20.077 19.947 114.274 1.00 19.18 C +ATOM 7984 CG ASP E 6 21.520 20.100 114.703 1.00 19.37 C +ATOM 7985 OD1 ASP E 6 21.779 20.449 115.862 1.00 24.10 O +ATOM 7986 OD2 ASP E 6 22.410 19.819 113.876 1.00 25.25 O +ATOM 7987 N LEU E 7 19.152 21.909 117.177 1.00 19.12 N +ATOM 7988 CA LEU E 7 19.190 23.282 117.720 1.00 19.78 C +ATOM 7989 C LEU E 7 20.507 24.005 117.431 1.00 20.71 C +ATOM 7990 O LEU E 7 20.556 25.232 117.365 1.00 21.87 O +ATOM 7991 CB LEU E 7 18.895 23.331 119.225 1.00 16.50 C +ATOM 7992 CG LEU E 7 18.312 24.683 119.648 1.00 16.32 C +ATOM 7993 CD1 LEU E 7 16.828 24.743 119.265 1.00 13.28 C +ATOM 7994 CD2 LEU E 7 18.511 24.970 121.132 1.00 15.21 C +ATOM 7995 N SER E 8 21.560 23.240 117.237 1.00 21.15 N +ATOM 7996 CA SER E 8 22.867 23.802 116.997 1.00 21.99 C +ATOM 7997 C SER E 8 22.936 24.670 115.734 1.00 22.56 C +ATOM 7998 O SER E 8 23.788 25.527 115.622 1.00 23.00 O +ATOM 7999 CB SER E 8 23.887 22.671 116.953 1.00 21.59 C +ATOM 8000 OG SER E 8 23.894 22.047 118.232 1.00 22.65 O +ATOM 8001 N VAL E 9 22.034 24.426 114.795 1.00 22.53 N +ATOM 8002 CA VAL E 9 21.930 25.253 113.581 1.00 22.97 C +ATOM 8003 C VAL E 9 20.560 25.956 113.429 1.00 23.76 C +ATOM 8004 O VAL E 9 20.364 26.737 112.511 1.00 27.28 O +ATOM 8005 CB VAL E 9 22.251 24.382 112.325 1.00 22.05 C +ATOM 8006 CG1 VAL E 9 23.724 23.942 112.353 1.00 19.78 C +ATOM 8007 CG2 VAL E 9 21.341 23.214 112.257 1.00 19.89 C +ATOM 8008 N SER E 10 19.634 25.719 114.346 1.00 22.32 N +ATOM 8009 CA SER E 10 18.280 26.226 114.190 1.00 22.11 C +ATOM 8010 C SER E 10 18.105 27.681 114.678 1.00 22.83 C +ATOM 8011 O SER E 10 18.992 28.262 115.297 1.00 22.10 O +ATOM 8012 CB SER E 10 17.276 25.303 114.900 1.00 21.35 C +ATOM 8013 OG SER E 10 15.956 25.517 114.400 1.00 27.40 O +ATOM 8014 N CYS E 11 16.931 28.233 114.375 1.00 22.53 N +ATOM 8015 CA CYS E 11 16.548 29.568 114.786 1.00 23.07 C +ATOM 8016 C CYS E 11 15.054 29.560 115.106 1.00 22.95 C +ATOM 8017 O CYS E 11 14.335 28.622 114.755 1.00 23.72 O +ATOM 8018 CB CYS E 11 16.872 30.563 113.682 1.00 20.40 C +ATOM 8019 SG CYS E 11 15.975 30.171 112.167 1.00 25.98 S +ATOM 8020 N LEU E 12 14.605 30.574 115.824 1.00 23.36 N +ATOM 8021 CA LEU E 12 13.229 30.616 116.339 1.00 23.60 C +ATOM 8022 C LEU E 12 12.195 30.621 115.226 1.00 25.54 C +ATOM 8023 O LEU E 12 11.096 30.047 115.372 1.00 26.15 O +ATOM 8024 CB LEU E 12 13.023 31.849 117.228 1.00 24.32 C +ATOM 8025 CG LEU E 12 11.640 32.045 117.844 1.00 22.16 C +ATOM 8026 CD1 LEU E 12 11.371 30.865 118.746 1.00 21.03 C +ATOM 8027 CD2 LEU E 12 11.565 33.348 118.601 1.00 20.96 C +ATOM 8028 N GLY E 13 12.515 31.295 114.127 1.00 26.37 N +ATOM 8029 CA GLY E 13 11.627 31.323 112.977 1.00 26.86 C +ATOM 8030 C GLY E 13 11.204 29.951 112.493 1.00 28.19 C +ATOM 8031 O GLY E 13 10.071 29.757 112.052 1.00 28.35 O +ATOM 8032 N LYS E 14 12.124 29.001 112.561 1.00 28.63 N +ATOM 8033 CA LYS E 14 11.903 27.675 112.035 1.00 30.04 C +ATOM 8034 C LYS E 14 11.134 26.797 113.022 1.00 30.95 C +ATOM 8035 O LYS E 14 10.334 25.952 112.596 1.00 35.13 O +ATOM 8036 CB LYS E 14 13.232 27.061 111.641 1.00 29.15 C +ATOM 8037 CG LYS E 14 13.190 25.582 111.283 1.00 39.68 C +ATOM 8038 CD LYS E 14 12.252 25.269 110.113 1.00 48.56 C +ATOM 8039 CE LYS E 14 12.530 23.906 109.545 1.00 45.91 C +ATOM 8040 NZ LYS E 14 11.446 23.476 108.640 1.00 57.25 N +ATOM 8041 N VAL E 15 11.316 27.022 114.325 1.00 29.29 N +ATOM 8042 CA VAL E 15 10.710 26.170 115.343 1.00 28.17 C +ATOM 8043 C VAL E 15 9.394 26.677 115.945 1.00 29.41 C +ATOM 8044 O VAL E 15 8.629 25.885 116.501 1.00 27.49 O +ATOM 8045 CB VAL E 15 11.673 25.882 116.541 1.00 28.13 C +ATOM 8046 CG1 VAL E 15 13.041 25.424 116.078 1.00 26.81 C +ATOM 8047 CG2 VAL E 15 11.777 27.050 117.448 1.00 25.83 C +ATOM 8048 N LYS E 16 9.128 27.974 115.876 1.00 30.59 N +ATOM 8049 CA LYS E 16 8.091 28.543 116.721 1.00 34.67 C +ATOM 8050 C LYS E 16 6.671 28.020 116.443 1.00 35.02 C +ATOM 8051 O LYS E 16 5.849 27.981 117.361 1.00 35.40 O +ATOM 8052 CB LYS E 16 8.100 30.077 116.681 1.00 34.19 C +ATOM 8053 CG LYS E 16 7.737 30.699 115.374 1.00 33.27 C +ATOM 8054 CD LYS E 16 7.478 32.196 115.549 1.00 39.87 C +ATOM 8055 CE LYS E 16 6.891 32.807 114.272 1.00 50.84 C +ATOM 8056 NZ LYS E 16 5.750 33.734 114.552 1.00 55.27 N +ATOM 8057 N GLU E 17 6.389 27.635 115.207 1.00 36.00 N +ATOM 8058 CA GLU E 17 5.054 27.151 114.851 1.00 39.76 C +ATOM 8059 C GLU E 17 4.956 25.616 114.775 1.00 38.45 C +ATOM 8060 O GLU E 17 3.900 25.093 114.435 1.00 39.50 O +ATOM 8061 CB GLU E 17 4.570 27.783 113.524 1.00 42.14 C +ATOM 8062 CG GLU E 17 4.608 29.347 113.462 1.00 48.15 C +ATOM 8063 CD GLU E 17 3.542 30.042 114.335 1.00 56.30 C +ATOM 8064 OE1 GLU E 17 2.628 30.649 113.739 1.00 63.14 O +ATOM 8065 OE2 GLU E 17 3.605 30.008 115.596 1.00 59.66 O +ATOM 8066 N LEU E 18 6.020 24.899 115.134 1.00 35.44 N +ATOM 8067 CA LEU E 18 6.038 23.435 115.061 1.00 32.89 C +ATOM 8068 C LEU E 18 5.817 22.838 116.441 1.00 31.65 C +ATOM 8069 O LEU E 18 6.195 23.427 117.455 1.00 32.06 O +ATOM 8070 CB LEU E 18 7.352 22.910 114.470 1.00 31.09 C +ATOM 8071 CG LEU E 18 7.822 23.397 113.091 1.00 31.73 C +ATOM 8072 CD1 LEU E 18 9.066 22.605 112.679 1.00 25.17 C +ATOM 8073 CD2 LEU E 18 6.744 23.323 111.970 1.00 29.10 C +ATOM 8074 N LYS E 19 5.150 21.690 116.469 1.00 30.35 N +ATOM 8075 CA LYS E 19 4.969 20.940 117.701 1.00 29.75 C +ATOM 8076 C LYS E 19 6.122 19.950 117.883 1.00 26.68 C +ATOM 8077 O LYS E 19 6.481 19.236 116.970 1.00 23.93 O +ATOM 8078 CB LYS E 19 3.648 20.182 117.691 1.00 30.39 C +ATOM 8079 CG LYS E 19 3.313 19.579 119.052 1.00 37.98 C +ATOM 8080 CD LYS E 19 2.889 18.133 118.945 1.00 48.19 C +ATOM 8081 CE LYS E 19 1.518 17.991 118.295 1.00 54.50 C +ATOM 8082 NZ LYS E 19 1.303 16.640 117.670 1.00 56.16 N +ATOM 8083 N TYR E 20 6.697 19.935 119.075 1.00 25.09 N +ATOM 8084 CA TYR E 20 7.788 19.037 119.408 1.00 24.18 C +ATOM 8085 C TYR E 20 7.308 18.099 120.502 1.00 23.99 C +ATOM 8086 O TYR E 20 6.718 18.540 121.474 1.00 25.75 O +ATOM 8087 CB TYR E 20 9.016 19.846 119.828 1.00 20.97 C +ATOM 8088 CG TYR E 20 9.692 20.561 118.659 1.00 20.93 C +ATOM 8089 CD1 TYR E 20 9.276 21.819 118.233 1.00 21.19 C +ATOM 8090 CD2 TYR E 20 10.731 19.963 117.978 1.00 17.66 C +ATOM 8091 CE1 TYR E 20 9.885 22.447 117.147 1.00 21.71 C +ATOM 8092 CE2 TYR E 20 11.320 20.554 116.916 1.00 19.72 C +ATOM 8093 CZ TYR E 20 10.912 21.801 116.493 1.00 19.42 C +ATOM 8094 OH TYR E 20 11.569 22.373 115.418 1.00 22.93 O +ATOM 8095 N ASP E 21 7.533 16.806 120.320 1.00 24.41 N +ATOM 8096 CA ASP E 21 7.044 15.805 121.248 1.00 25.97 C +ATOM 8097 C ASP E 21 8.095 15.402 122.307 1.00 25.82 C +ATOM 8098 O ASP E 21 7.774 15.239 123.472 1.00 26.96 O +ATOM 8099 CB ASP E 21 6.585 14.577 120.464 1.00 26.70 C +ATOM 8100 CG ASP E 21 5.496 14.908 119.421 1.00 32.15 C +ATOM 8101 OD1 ASP E 21 4.331 15.141 119.825 1.00 35.43 O +ATOM 8102 OD2 ASP E 21 5.810 14.936 118.198 1.00 32.41 O +ATOM 8103 N VAL E 22 9.339 15.213 121.863 1.00 24.34 N +ATOM 8104 CA VAL E 22 10.437 14.690 122.715 1.00 22.89 C +ATOM 8105 C VAL E 22 11.678 15.559 122.559 1.00 21.61 C +ATOM 8106 O VAL E 22 11.995 15.979 121.461 1.00 19.74 O +ATOM 8107 CB VAL E 22 10.753 13.200 122.389 1.00 22.70 C +ATOM 8108 CG1 VAL E 22 11.713 12.599 123.415 1.00 19.29 C +ATOM 8109 CG2 VAL E 22 9.474 12.384 122.354 1.00 20.87 C +ATOM 8110 N ILE E 23 12.331 15.886 123.673 1.00 19.72 N +ATOM 8111 CA ILE E 23 13.582 16.587 123.650 1.00 18.18 C +ATOM 8112 C ILE E 23 14.740 15.609 123.831 1.00 18.06 C +ATOM 8113 O ILE E 23 14.694 14.739 124.690 1.00 18.63 O +ATOM 8114 CB ILE E 23 13.658 17.704 124.774 1.00 19.85 C +ATOM 8115 CG1 ILE E 23 12.422 18.615 124.767 1.00 21.08 C +ATOM 8116 CG2 ILE E 23 14.949 18.522 124.631 1.00 15.28 C +ATOM 8117 CD1 ILE E 23 12.256 19.452 123.484 1.00 20.29 C +ATOM 8118 N ILE E 24 15.793 15.754 123.036 1.00 17.29 N +ATOM 8119 CA ILE E 24 16.979 14.915 123.150 1.00 17.06 C +ATOM 8120 C ILE E 24 18.187 15.763 123.574 1.00 16.99 C +ATOM 8121 O ILE E 24 18.460 16.785 122.947 1.00 17.53 O +ATOM 8122 CB ILE E 24 17.388 14.229 121.797 1.00 19.00 C +ATOM 8123 CG1 ILE E 24 16.157 13.736 120.998 1.00 17.42 C +ATOM 8124 CG2 ILE E 24 18.395 13.113 122.064 1.00 15.74 C +ATOM 8125 CD1 ILE E 24 15.316 12.758 121.726 1.00 17.19 C +ATOM 8126 N LEU E 25 18.898 15.336 124.617 1.00 17.06 N +ATOM 8127 CA LEU E 25 20.050 16.054 125.147 1.00 17.44 C +ATOM 8128 C LEU E 25 21.292 15.189 125.010 1.00 17.78 C +ATOM 8129 O LEU E 25 21.468 14.211 125.720 1.00 18.51 O +ATOM 8130 CB LEU E 25 19.842 16.462 126.606 1.00 16.27 C +ATOM 8131 CG LEU E 25 20.971 17.204 127.310 1.00 17.35 C +ATOM 8132 CD1 LEU E 25 21.168 18.576 126.663 1.00 12.95 C +ATOM 8133 CD2 LEU E 25 20.646 17.339 128.796 1.00 16.79 C +ATOM 8134 N PRO E 26 22.100 15.497 124.013 1.00 18.39 N +ATOM 8135 CA PRO E 26 23.362 14.845 123.883 1.00 18.41 C +ATOM 8136 C PRO E 26 24.285 15.323 125.027 1.00 18.98 C +ATOM 8137 O PRO E 26 24.369 16.533 125.304 1.00 18.78 O +ATOM 8138 CB PRO E 26 23.885 15.332 122.511 1.00 19.57 C +ATOM 8139 CG PRO E 26 22.802 16.008 121.854 1.00 19.11 C +ATOM 8140 CD PRO E 26 21.829 16.448 122.914 1.00 17.73 C +ATOM 8141 N TRP E 27 24.948 14.380 125.682 1.00 18.70 N +ATOM 8142 CA TRP E 27 25.834 14.683 126.811 1.00 17.35 C +ATOM 8143 C TRP E 27 27.176 13.973 126.654 1.00 16.44 C +ATOM 8144 O TRP E 27 27.269 12.745 126.639 1.00 16.94 O +ATOM 8145 CB TRP E 27 25.165 14.318 128.146 1.00 15.21 C +ATOM 8146 CG TRP E 27 25.738 15.100 129.306 1.00 16.11 C +ATOM 8147 CD1 TRP E 27 27.054 15.232 129.625 1.00 12.78 C +ATOM 8148 CD2 TRP E 27 25.009 15.832 130.303 1.00 14.79 C +ATOM 8149 NE1 TRP E 27 27.188 15.993 130.742 1.00 14.57 N +ATOM 8150 CE2 TRP E 27 25.953 16.390 131.177 1.00 14.57 C +ATOM 8151 CE3 TRP E 27 23.649 16.080 130.530 1.00 15.38 C +ATOM 8152 CZ2 TRP E 27 25.590 17.174 132.286 1.00 14.77 C +ATOM 8153 CZ3 TRP E 27 23.295 16.872 131.624 1.00 15.18 C +ATOM 8154 CH2 TRP E 27 24.273 17.392 132.492 1.00 15.64 C +ATOM 8155 N GLY E 28 28.225 14.758 126.508 1.00 16.22 N +ATOM 8156 CA GLY E 28 29.544 14.201 126.301 1.00 16.50 C +ATOM 8157 C GLY E 28 30.544 14.548 127.375 1.00 16.97 C +ATOM 8158 O GLY E 28 30.293 14.381 128.570 1.00 16.40 O +ATOM 8159 N ALA E 29 31.697 15.020 126.901 1.00 17.47 N +ATOM 8160 CA ALA E 29 32.887 15.252 127.688 1.00 16.78 C +ATOM 8161 C ALA E 29 33.903 15.985 126.816 1.00 17.43 C +ATOM 8162 O ALA E 29 33.878 15.851 125.597 1.00 18.44 O +ATOM 8163 CB ALA E 29 33.460 13.960 128.153 1.00 14.61 C +ATOM 8164 N THR E 30 34.776 16.759 127.464 1.00 18.57 N +ATOM 8165 CA THR E 30 35.963 17.342 126.861 1.00 18.59 C +ATOM 8166 C THR E 30 37.128 16.523 127.370 1.00 20.08 C +ATOM 8167 O THR E 30 37.537 16.664 128.523 1.00 19.44 O +ATOM 8168 CB THR E 30 36.121 18.811 127.226 1.00 19.62 C +ATOM 8169 OG1 THR E 30 34.905 19.498 126.894 1.00 19.14 O +ATOM 8170 CG2 THR E 30 37.259 19.445 126.471 1.00 13.39 C +ATOM 8171 N GLU E 31 37.640 15.658 126.495 1.00 20.33 N +ATOM 8172 CA GLU E 31 38.502 14.545 126.876 1.00 20.48 C +ATOM 8173 C GLU E 31 39.413 14.076 125.731 1.00 21.01 C +ATOM 8174 O GLU E 31 38.947 13.764 124.619 1.00 21.22 O +ATOM 8175 CB GLU E 31 37.611 13.356 127.245 1.00 19.58 C +ATOM 8176 CG GLU E 31 38.344 12.135 127.748 1.00 19.69 C +ATOM 8177 CD GLU E 31 37.422 11.003 128.099 1.00 24.12 C +ATOM 8178 OE1 GLU E 31 36.371 10.932 127.468 1.00 22.03 O +ATOM 8179 OE2 GLU E 31 37.771 10.162 128.964 1.00 27.89 O +ATOM 8180 N PRO E 32 40.695 13.904 126.018 1.00 22.34 N +ATOM 8181 CA PRO E 32 41.561 13.325 125.025 1.00 22.27 C +ATOM 8182 C PRO E 32 41.154 11.894 124.679 1.00 21.40 C +ATOM 8183 O PRO E 32 40.918 11.096 125.566 1.00 20.38 O +ATOM 8184 CB PRO E 32 42.929 13.315 125.710 1.00 23.76 C +ATOM 8185 CG PRO E 32 42.817 14.162 126.886 1.00 24.21 C +ATOM 8186 CD PRO E 32 41.393 14.197 127.271 1.00 21.37 C +ATOM 8187 N HIS E 33 41.131 11.591 123.380 1.00 20.72 N +ATOM 8188 CA HIS E 33 40.746 10.291 122.850 1.00 19.85 C +ATOM 8189 C HIS E 33 41.895 9.660 122.033 1.00 20.63 C +ATOM 8190 O HIS E 33 41.920 9.796 120.818 1.00 18.58 O +ATOM 8191 CB HIS E 33 39.526 10.459 121.956 1.00 19.72 C +ATOM 8192 CG HIS E 33 38.214 10.448 122.681 1.00 17.06 C +ATOM 8193 ND1 HIS E 33 37.738 11.531 123.381 1.00 15.96 N +ATOM 8194 CD2 HIS E 33 37.257 9.496 122.765 1.00 19.69 C +ATOM 8195 CE1 HIS E 33 36.573 11.222 123.921 1.00 21.79 C +ATOM 8196 NE2 HIS E 33 36.250 9.998 123.550 1.00 17.98 N +ATOM 8197 N ASN E 34 42.802 8.931 122.681 1.00 21.11 N +ATOM 8198 CA ASN E 34 44.054 8.500 122.009 1.00 22.61 C +ATOM 8199 C ASN E 34 44.655 9.793 121.377 1.00 23.48 C +ATOM 8200 O ASN E 34 44.285 10.915 121.778 1.00 24.37 O +ATOM 8201 CB ASN E 34 43.725 7.364 120.988 1.00 23.82 C +ATOM 8202 CG ASN E 34 44.940 6.574 120.494 1.00 20.20 C +ATOM 8203 OD1 ASN E 34 46.012 7.139 120.232 1.00 19.88 O +ATOM 8204 ND2 ASN E 34 44.746 5.263 120.278 1.00 17.82 N +ATOM 8205 N LEU E 35 45.520 9.672 120.383 1.00 23.86 N +ATOM 8206 CA LEU E 35 46.130 10.856 119.762 1.00 23.18 C +ATOM 8207 C LEU E 35 45.359 11.388 118.559 1.00 21.91 C +ATOM 8208 O LEU E 35 45.603 12.496 118.119 1.00 24.12 O +ATOM 8209 CB LEU E 35 47.574 10.530 119.353 1.00 25.10 C +ATOM 8210 CG LEU E 35 48.483 9.859 120.389 1.00 26.09 C +ATOM 8211 CD1 LEU E 35 49.664 9.200 119.716 1.00 25.97 C +ATOM 8212 CD2 LEU E 35 48.950 10.846 121.461 1.00 24.12 C +ATOM 8213 N HIS E 36 44.423 10.608 118.030 1.00 22.20 N +ATOM 8214 CA HIS E 36 43.820 10.877 116.711 1.00 22.20 C +ATOM 8215 C HIS E 36 42.394 11.416 116.700 1.00 22.17 C +ATOM 8216 O HIS E 36 41.983 12.039 115.748 1.00 22.57 O +ATOM 8217 CB HIS E 36 43.862 9.623 115.857 1.00 22.74 C +ATOM 8218 CG HIS E 36 43.030 8.507 116.382 1.00 19.46 C +ATOM 8219 ND1 HIS E 36 43.132 8.045 117.675 1.00 20.84 N +ATOM 8220 CD2 HIS E 36 42.081 7.763 115.789 1.00 14.91 C +ATOM 8221 CE1 HIS E 36 42.274 7.061 117.856 1.00 19.89 C +ATOM 8222 NE2 HIS E 36 41.643 6.849 116.718 1.00 19.44 N +ATOM 8223 N LEU E 37 41.652 11.192 117.774 1.00 21.49 N +ATOM 8224 CA LEU E 37 40.256 11.578 117.805 1.00 20.36 C +ATOM 8225 C LEU E 37 40.073 12.927 118.512 1.00 19.84 C +ATOM 8226 O LEU E 37 40.882 13.297 119.396 1.00 19.67 O +ATOM 8227 CB LEU E 37 39.420 10.488 118.471 1.00 20.62 C +ATOM 8228 CG LEU E 37 39.008 9.274 117.671 1.00 20.64 C +ATOM 8229 CD1 LEU E 37 38.299 8.298 118.613 1.00 18.01 C +ATOM 8230 CD2 LEU E 37 38.094 9.657 116.504 1.00 21.17 C +ATOM 8231 N PRO E 38 39.037 13.678 118.091 1.00 20.67 N +ATOM 8232 CA PRO E 38 38.738 14.960 118.683 1.00 20.91 C +ATOM 8233 C PRO E 38 38.460 14.914 120.195 1.00 19.80 C +ATOM 8234 O PRO E 38 37.830 13.972 120.699 1.00 18.76 O +ATOM 8235 CB PRO E 38 37.465 15.415 117.953 1.00 22.61 C +ATOM 8236 CG PRO E 38 37.387 14.644 116.721 1.00 20.11 C +ATOM 8237 CD PRO E 38 38.080 13.347 117.008 1.00 20.85 C +ATOM 8238 N TYR E 39 38.919 15.959 120.880 1.00 18.95 N +ATOM 8239 CA TYR E 39 38.544 16.220 122.268 1.00 18.82 C +ATOM 8240 C TYR E 39 37.039 16.162 122.541 1.00 18.30 C +ATOM 8241 O TYR E 39 36.641 15.781 123.638 1.00 18.52 O +ATOM 8242 CB TYR E 39 39.061 17.585 122.700 1.00 18.37 C +ATOM 8243 CG TYR E 39 40.483 17.550 123.205 1.00 19.17 C +ATOM 8244 CD1 TYR E 39 41.552 17.636 122.334 1.00 20.29 C +ATOM 8245 CD2 TYR E 39 40.745 17.463 124.558 1.00 15.72 C +ATOM 8246 CE1 TYR E 39 42.900 17.584 122.815 1.00 20.43 C +ATOM 8247 CE2 TYR E 39 42.032 17.444 125.037 1.00 23.13 C +ATOM 8248 CZ TYR E 39 43.109 17.492 124.176 1.00 21.13 C +ATOM 8249 OH TYR E 39 44.379 17.451 124.704 1.00 24.12 O +ATOM 8250 N LEU E 40 36.237 16.566 121.543 1.00 18.11 N +ATOM 8251 CA LEU E 40 34.761 16.605 121.625 1.00 17.51 C +ATOM 8252 C LEU E 40 34.026 15.394 121.001 1.00 17.77 C +ATOM 8253 O LEU E 40 32.826 15.461 120.765 1.00 18.10 O +ATOM 8254 CB LEU E 40 34.235 17.925 121.042 1.00 17.02 C +ATOM 8255 CG LEU E 40 34.478 19.230 121.843 1.00 18.54 C +ATOM 8256 CD1 LEU E 40 33.782 20.433 121.140 1.00 17.48 C +ATOM 8257 CD2 LEU E 40 34.052 19.136 123.297 1.00 12.93 C +ATOM 8258 N THR E 41 34.733 14.274 120.819 1.00 18.73 N +ATOM 8259 CA THR E 41 34.147 13.013 120.328 1.00 18.25 C +ATOM 8260 C THR E 41 32.853 12.620 121.073 1.00 18.91 C +ATOM 8261 O THR E 41 31.880 12.292 120.447 1.00 18.14 O +ATOM 8262 CB THR E 41 35.187 11.855 120.400 1.00 19.86 C +ATOM 8263 OG1 THR E 41 36.287 12.136 119.530 1.00 16.32 O +ATOM 8264 CG2 THR E 41 34.563 10.496 120.020 1.00 18.06 C +ATOM 8265 N ASP E 42 32.825 12.695 122.404 1.00 19.08 N +ATOM 8266 CA ASP E 42 31.658 12.239 123.161 1.00 17.85 C +ATOM 8267 C ASP E 42 30.461 13.161 123.083 1.00 18.36 C +ATOM 8268 O ASP E 42 29.357 12.761 123.445 1.00 17.85 O +ATOM 8269 CB ASP E 42 32.015 12.062 124.632 1.00 19.64 C +ATOM 8270 CG ASP E 42 33.016 10.959 124.843 1.00 17.00 C +ATOM 8271 OD1 ASP E 42 33.221 10.155 123.907 1.00 21.61 O +ATOM 8272 OD2 ASP E 42 33.614 10.914 125.916 1.00 21.58 O +ATOM 8273 N CYS E 43 30.682 14.385 122.628 1.00 18.04 N +ATOM 8274 CA CYS E 43 29.585 15.279 122.220 1.00 19.97 C +ATOM 8275 C CYS E 43 29.110 15.077 120.784 1.00 19.36 C +ATOM 8276 O CYS E 43 27.899 15.078 120.528 1.00 18.86 O +ATOM 8277 CB CYS E 43 30.017 16.743 122.324 1.00 20.46 C +ATOM 8278 SG CYS E 43 30.322 17.291 123.987 1.00 20.79 S +ATOM 8279 N ILE E 44 30.072 15.014 119.855 1.00 18.53 N +ATOM 8280 CA ILE E 44 29.793 14.959 118.406 1.00 18.63 C +ATOM 8281 C ILE E 44 29.027 13.675 118.041 1.00 19.45 C +ATOM 8282 O ILE E 44 28.007 13.741 117.377 1.00 20.45 O +ATOM 8283 CB ILE E 44 31.111 15.099 117.569 1.00 16.45 C +ATOM 8284 CG1 ILE E 44 31.746 16.477 117.795 1.00 20.97 C +ATOM 8285 CG2 ILE E 44 30.874 14.857 116.071 1.00 17.77 C +ATOM 8286 CD1 ILE E 44 33.234 16.563 117.430 1.00 16.45 C +ATOM 8287 N LEU E 45 29.473 12.531 118.543 1.00 18.95 N +ATOM 8288 CA LEU E 45 28.867 11.244 118.147 1.00 19.07 C +ATOM 8289 C LEU E 45 27.381 11.113 118.552 1.00 18.30 C +ATOM 8290 O LEU E 45 26.549 10.857 117.694 1.00 17.80 O +ATOM 8291 CB LEU E 45 29.710 10.063 118.630 1.00 19.23 C +ATOM 8292 CG LEU E 45 31.127 9.963 118.019 1.00 18.08 C +ATOM 8293 CD1 LEU E 45 31.800 8.590 118.292 1.00 17.04 C +ATOM 8294 CD2 LEU E 45 31.126 10.250 116.528 1.00 16.31 C +ATOM 8295 N PRO E 46 27.050 11.329 119.839 1.00 18.74 N +ATOM 8296 CA PRO E 46 25.633 11.324 120.223 1.00 18.41 C +ATOM 8297 C PRO E 46 24.783 12.423 119.574 1.00 18.44 C +ATOM 8298 O PRO E 46 23.602 12.210 119.350 1.00 20.20 O +ATOM 8299 CB PRO E 46 25.671 11.456 121.744 1.00 17.97 C +ATOM 8300 CG PRO E 46 26.963 12.119 122.043 1.00 19.91 C +ATOM 8301 CD PRO E 46 27.928 11.518 121.016 1.00 19.37 C +ATOM 8302 N HIS E 47 25.370 13.579 119.298 1.00 19.29 N +ATOM 8303 CA HIS E 47 24.654 14.611 118.572 1.00 20.86 C +ATOM 8304 C HIS E 47 24.235 14.138 117.174 1.00 19.11 C +ATOM 8305 O HIS E 47 23.063 14.212 116.822 1.00 18.93 O +ATOM 8306 CB HIS E 47 25.501 15.873 118.465 1.00 19.82 C +ATOM 8307 CG HIS E 47 24.920 16.897 117.562 1.00 16.76 C +ATOM 8308 ND1 HIS E 47 25.070 16.847 116.194 1.00 21.83 N +ATOM 8309 CD2 HIS E 47 24.153 17.975 117.817 1.00 20.52 C +ATOM 8310 CE1 HIS E 47 24.425 17.854 115.645 1.00 24.19 C +ATOM 8311 NE2 HIS E 47 23.844 18.547 116.608 1.00 25.37 N +ATOM 8312 N ASP E 48 25.194 13.661 116.387 1.00 20.51 N +ATOM 8313 CA ASP E 48 24.941 13.209 115.003 1.00 21.01 C +ATOM 8314 C ASP E 48 24.012 11.995 114.934 1.00 20.35 C +ATOM 8315 O ASP E 48 23.096 11.948 114.119 1.00 21.07 O +ATOM 8316 CB ASP E 48 26.268 12.901 114.292 1.00 23.13 C +ATOM 8317 CG ASP E 48 27.118 14.135 114.062 1.00 22.21 C +ATOM 8318 OD1 ASP E 48 26.708 15.261 114.380 1.00 29.07 O +ATOM 8319 OD2 ASP E 48 28.225 13.979 113.574 1.00 29.33 O +ATOM 8320 N ILE E 49 24.188 11.065 115.856 1.00 19.53 N +ATOM 8321 CA ILE E 49 23.293 9.914 116.009 1.00 18.27 C +ATOM 8322 C ILE E 49 21.887 10.359 116.368 1.00 19.64 C +ATOM 8323 O ILE E 49 20.912 9.901 115.746 1.00 19.59 O +ATOM 8324 CB ILE E 49 23.851 8.925 117.080 1.00 17.72 C +ATOM 8325 CG1 ILE E 49 25.095 8.228 116.522 1.00 17.59 C +ATOM 8326 CG2 ILE E 49 22.813 7.859 117.474 1.00 13.11 C +ATOM 8327 CD1 ILE E 49 25.798 7.434 117.517 1.00 14.75 C +ATOM 8328 N ALA E 50 21.781 11.280 117.345 1.00 19.60 N +ATOM 8329 CA ALA E 50 20.463 11.809 117.772 1.00 19.54 C +ATOM 8330 C ALA E 50 19.732 12.516 116.645 1.00 18.95 C +ATOM 8331 O ALA E 50 18.547 12.304 116.475 1.00 20.18 O +ATOM 8332 CB ALA E 50 20.576 12.745 119.033 1.00 16.48 C +ATOM 8333 N VAL E 51 20.435 13.337 115.873 1.00 19.45 N +ATOM 8334 CA VAL E 51 19.836 14.047 114.750 1.00 20.38 C +ATOM 8335 C VAL E 51 19.281 13.033 113.736 1.00 20.82 C +ATOM 8336 O VAL E 51 18.114 13.140 113.310 1.00 20.66 O +ATOM 8337 CB VAL E 51 20.840 15.052 114.103 1.00 20.78 C +ATOM 8338 CG1 VAL E 51 20.358 15.509 112.701 1.00 18.22 C +ATOM 8339 CG2 VAL E 51 21.020 16.266 115.015 1.00 16.84 C +ATOM 8340 N GLU E 52 20.079 12.025 113.383 1.00 21.39 N +ATOM 8341 CA GLU E 52 19.587 10.961 112.471 1.00 21.97 C +ATOM 8342 C GLU E 52 18.364 10.183 112.980 1.00 21.35 C +ATOM 8343 O GLU E 52 17.461 9.892 112.224 1.00 22.58 O +ATOM 8344 CB GLU E 52 20.687 9.972 112.133 1.00 22.84 C +ATOM 8345 CG GLU E 52 21.718 10.498 111.172 1.00 28.81 C +ATOM 8346 CD GLU E 52 22.549 9.401 110.521 1.00 31.67 C +ATOM 8347 OE1 GLU E 52 22.483 8.226 110.943 1.00 43.06 O +ATOM 8348 OE2 GLU E 52 23.288 9.729 109.581 1.00 47.29 O +ATOM 8349 N ALA E 53 18.357 9.841 114.258 1.00 20.70 N +ATOM 8350 CA ALA E 53 17.214 9.192 114.901 1.00 19.00 C +ATOM 8351 C ALA E 53 15.992 10.110 114.875 1.00 19.78 C +ATOM 8352 O ALA E 53 14.888 9.639 114.588 1.00 20.08 O +ATOM 8353 CB ALA E 53 17.565 8.798 116.330 1.00 16.95 C +ATOM 8354 N ALA E 54 16.206 11.413 115.119 1.00 20.01 N +ATOM 8355 CA ALA E 54 15.133 12.420 115.035 1.00 21.16 C +ATOM 8356 C ALA E 54 14.573 12.551 113.633 1.00 20.54 C +ATOM 8357 O ALA E 54 13.364 12.631 113.460 1.00 21.82 O +ATOM 8358 CB ALA E 54 15.588 13.807 115.559 1.00 19.24 C +ATOM 8359 N GLU E 55 15.440 12.566 112.638 1.00 22.10 N +ATOM 8360 CA GLU E 55 15.011 12.573 111.227 1.00 24.03 C +ATOM 8361 C GLU E 55 14.167 11.325 110.862 1.00 23.66 C +ATOM 8362 O GLU E 55 13.121 11.437 110.254 1.00 23.29 O +ATOM 8363 CB GLU E 55 16.223 12.734 110.301 1.00 22.77 C +ATOM 8364 CG GLU E 55 16.848 14.115 110.406 1.00 24.85 C +ATOM 8365 CD GLU E 55 18.080 14.287 109.543 1.00 30.51 C +ATOM 8366 OE1 GLU E 55 18.793 13.276 109.310 1.00 35.43 O +ATOM 8367 OE2 GLU E 55 18.329 15.437 109.089 1.00 36.15 O +ATOM 8368 N LEU E 56 14.617 10.151 111.271 1.00 23.45 N +ATOM 8369 CA LEU E 56 13.855 8.925 111.056 1.00 23.09 C +ATOM 8370 C LEU E 56 12.511 8.923 111.772 1.00 24.86 C +ATOM 8371 O LEU E 56 11.494 8.574 111.171 1.00 25.52 O +ATOM 8372 CB LEU E 56 14.673 7.699 111.462 1.00 22.75 C +ATOM 8373 CG LEU E 56 14.082 6.308 111.239 1.00 24.36 C +ATOM 8374 CD1 LEU E 56 13.676 6.122 109.796 1.00 20.56 C +ATOM 8375 CD2 LEU E 56 15.120 5.253 111.698 1.00 21.51 C +ATOM 8376 N ALA E 57 12.469 9.325 113.043 1.00 24.15 N +ATOM 8377 CA ALA E 57 11.185 9.359 113.731 1.00 24.13 C +ATOM 8378 C ALA E 57 10.199 10.327 113.073 1.00 24.92 C +ATOM 8379 O ALA E 57 9.000 10.071 113.047 1.00 25.95 O +ATOM 8380 CB ALA E 57 11.349 9.683 115.225 1.00 23.02 C +ATOM 8381 N LEU E 58 10.696 11.445 112.562 1.00 25.02 N +ATOM 8382 CA LEU E 58 9.839 12.384 111.859 1.00 25.62 C +ATOM 8383 C LEU E 58 9.352 11.780 110.533 1.00 26.81 C +ATOM 8384 O LEU E 58 8.149 11.713 110.292 1.00 26.76 O +ATOM 8385 CB LEU E 58 10.554 13.718 111.650 1.00 25.74 C +ATOM 8386 CG LEU E 58 9.809 14.919 111.055 1.00 27.69 C +ATOM 8387 CD1 LEU E 58 8.518 15.208 111.816 1.00 22.29 C +ATOM 8388 CD2 LEU E 58 10.733 16.134 111.049 1.00 23.45 C +ATOM 8389 N SER E 59 10.258 11.312 109.693 1.00 27.62 N +ATOM 8390 CA SER E 59 9.831 10.809 108.368 1.00 31.37 C +ATOM 8391 C SER E 59 8.996 9.517 108.475 1.00 31.89 C +ATOM 8392 O SER E 59 8.089 9.285 107.694 1.00 33.80 O +ATOM 8393 CB SER E 59 11.012 10.625 107.425 1.00 29.70 C +ATOM 8394 OG SER E 59 11.863 9.612 107.902 1.00 38.73 O +ATOM 8395 N ARG E 60 9.307 8.703 109.469 1.00 31.80 N +ATOM 8396 CA ARG E 60 8.643 7.435 109.658 1.00 31.96 C +ATOM 8397 C ARG E 60 7.284 7.476 110.362 1.00 31.75 C +ATOM 8398 O ARG E 60 6.415 6.726 109.994 1.00 32.59 O +ATOM 8399 CB ARG E 60 9.522 6.515 110.455 1.00 30.82 C +ATOM 8400 CG ARG E 60 8.947 5.130 110.588 1.00 34.27 C +ATOM 8401 CD ARG E 60 9.998 4.139 110.936 1.00 36.40 C +ATOM 8402 NE ARG E 60 10.329 4.182 112.345 1.00 33.44 N +ATOM 8403 CZ ARG E 60 11.284 3.447 112.887 1.00 32.71 C +ATOM 8404 NH1 ARG E 60 11.997 2.614 112.142 1.00 35.45 N +ATOM 8405 NH2 ARG E 60 11.522 3.530 114.183 1.00 38.01 N +ATOM 8406 N SER E 61 7.115 8.325 111.377 1.00 30.75 N +ATOM 8407 CA ASER E 61 5.898 8.350 112.181 0.50 27.74 C +ATOM 8408 CA BSER E 61 5.875 8.355 112.144 0.50 28.56 C +ATOM 8409 C SER E 61 5.337 9.754 112.394 1.00 29.19 C +ATOM 8410 O SER E 61 4.293 9.893 113.003 1.00 28.82 O +ATOM 8411 CB ASER E 61 6.152 7.706 113.551 0.50 27.44 C +ATOM 8412 CB BSER E 61 6.068 7.658 113.487 0.50 28.21 C +ATOM 8413 OG ASER E 61 6.851 6.472 113.454 0.50 21.02 O +ATOM 8414 OG BSER E 61 6.457 8.594 114.476 0.50 28.47 O +ATOM 8415 N GLY E 62 6.028 10.796 111.918 1.00 28.33 N +ATOM 8416 CA GLY E 62 5.586 12.185 112.169 1.00 28.20 C +ATOM 8417 C GLY E 62 5.797 12.669 113.610 1.00 28.00 C +ATOM 8418 O GLY E 62 5.173 13.626 114.044 1.00 29.49 O +ATOM 8419 N VAL E 63 6.692 12.006 114.336 1.00 27.52 N +ATOM 8420 CA VAL E 63 7.049 12.385 115.703 1.00 25.95 C +ATOM 8421 C VAL E 63 8.215 13.342 115.587 1.00 25.02 C +ATOM 8422 O VAL E 63 9.244 12.995 115.020 1.00 24.18 O +ATOM 8423 CB VAL E 63 7.408 11.132 116.605 1.00 25.23 C +ATOM 8424 CG1 VAL E 63 8.034 11.538 117.907 1.00 19.64 C +ATOM 8425 CG2 VAL E 63 6.156 10.312 116.879 1.00 25.71 C +ATOM 8426 N ARG E 64 8.057 14.552 116.108 1.00 23.99 N +ATOM 8427 CA ARG E 64 9.106 15.560 115.964 1.00 23.26 C +ATOM 8428 C ARG E 64 9.871 15.794 117.268 1.00 22.90 C +ATOM 8429 O ARG E 64 9.297 16.200 118.290 1.00 22.25 O +ATOM 8430 CB ARG E 64 8.520 16.878 115.472 1.00 23.05 C +ATOM 8431 CG ARG E 64 9.591 17.876 115.045 1.00 22.06 C +ATOM 8432 CD ARG E 64 8.984 19.174 114.643 1.00 27.55 C +ATOM 8433 NE ARG E 64 8.370 19.084 113.330 1.00 25.86 N +ATOM 8434 CZ ARG E 64 7.060 19.041 113.093 1.00 30.73 C +ATOM 8435 NH1 ARG E 64 6.176 19.064 114.080 1.00 30.26 N +ATOM 8436 NH2 ARG E 64 6.631 18.970 111.843 1.00 28.17 N +ATOM 8437 N CYS E 65 11.169 15.548 117.209 1.00 22.39 N +ATOM 8438 CA CYS E 65 12.064 15.675 118.356 1.00 23.09 C +ATOM 8439 C CYS E 65 13.063 16.807 118.106 1.00 22.67 C +ATOM 8440 O CYS E 65 13.504 16.988 116.963 1.00 23.20 O +ATOM 8441 CB CYS E 65 12.812 14.361 118.558 1.00 22.34 C +ATOM 8442 SG CYS E 65 11.646 12.984 118.783 1.00 26.05 S +HETATM 8443 N MSE E 66 13.424 17.554 119.161 1.00 20.44 N +HETATM 8444 CA MSE E 66 14.505 18.538 119.068 1.00 18.89 C +HETATM 8445 C MSE E 66 15.727 17.990 119.734 1.00 18.54 C +HETATM 8446 O MSE E 66 15.664 17.587 120.875 1.00 18.11 O +HETATM 8447 CB MSE E 66 14.131 19.887 119.745 1.00 18.89 C +HETATM 8448 CG MSE E 66 15.234 20.969 119.688 1.00 18.86 C +HETATM 8449 SE MSE E 66 15.776 21.300 117.828 0.75 19.68 SE +HETATM 8450 CE MSE E 66 14.472 22.629 117.303 1.00 13.82 C +ATOM 8451 N VAL E 67 16.863 18.049 119.036 1.00 18.83 N +ATOM 8452 CA VAL E 67 18.166 17.719 119.603 1.00 17.22 C +ATOM 8453 C VAL E 67 18.850 19.004 120.051 1.00 18.79 C +ATOM 8454 O VAL E 67 19.214 19.873 119.245 1.00 18.35 O +ATOM 8455 CB VAL E 67 19.074 16.933 118.629 1.00 17.49 C +ATOM 8456 CG1 VAL E 67 20.287 16.423 119.367 1.00 15.10 C +ATOM 8457 CG2 VAL E 67 18.292 15.785 117.965 1.00 11.28 C +HETATM 8458 N MSE E 68 19.046 19.088 121.367 1.00 18.68 N +HETATM 8459 CA MSE E 68 19.635 20.216 122.013 1.00 18.23 C +HETATM 8460 C MSE E 68 21.140 20.215 121.756 1.00 19.06 C +HETATM 8461 O MSE E 68 21.707 19.223 121.288 1.00 19.06 O +HETATM 8462 CB MSE E 68 19.330 20.150 123.516 1.00 18.35 C +HETATM 8463 CG MSE E 68 17.868 20.205 123.857 1.00 18.68 C +HETATM 8464 SE MSE E 68 17.059 21.901 123.498 0.75 16.95 SE +HETATM 8465 CE MSE E 68 18.069 23.034 124.793 1.00 19.51 C +ATOM 8466 N PRO E 69 21.793 21.349 122.012 1.00 19.74 N +ATOM 8467 CA PRO E 69 23.232 21.375 121.889 1.00 21.52 C +ATOM 8468 C PRO E 69 23.893 20.443 122.914 1.00 22.11 C +ATOM 8469 O PRO E 69 23.449 20.367 124.037 1.00 20.80 O +ATOM 8470 CB PRO E 69 23.581 22.828 122.225 1.00 23.06 C +ATOM 8471 CG PRO E 69 22.323 23.582 122.018 1.00 21.89 C +ATOM 8472 CD PRO E 69 21.257 22.647 122.433 1.00 19.83 C +ATOM 8473 N PRO E 70 24.976 19.767 122.536 1.00 22.62 N +ATOM 8474 CA PRO E 70 25.539 18.781 123.448 1.00 21.94 C +ATOM 8475 C PRO E 70 26.218 19.422 124.653 1.00 21.44 C +ATOM 8476 O PRO E 70 26.788 20.493 124.530 1.00 22.67 O +ATOM 8477 CB PRO E 70 26.578 18.039 122.582 1.00 22.41 C +ATOM 8478 CG PRO E 70 26.398 18.563 121.197 1.00 24.51 C +ATOM 8479 CD PRO E 70 25.748 19.884 121.292 1.00 23.74 C +ATOM 8480 N VAL E 71 26.147 18.759 125.799 1.00 20.65 N +ATOM 8481 CA VAL E 71 26.806 19.212 127.031 1.00 18.40 C +ATOM 8482 C VAL E 71 28.259 18.657 127.074 1.00 17.14 C +ATOM 8483 O VAL E 71 28.473 17.454 127.067 1.00 16.81 O +ATOM 8484 CB VAL E 71 25.996 18.764 128.275 1.00 17.98 C +ATOM 8485 CG1 VAL E 71 26.587 19.310 129.515 1.00 13.03 C +ATOM 8486 CG2 VAL E 71 24.539 19.233 128.158 1.00 14.82 C +ATOM 8487 N PRO E 72 29.255 19.557 127.082 1.00 17.36 N +ATOM 8488 CA PRO E 72 30.644 19.141 127.005 1.00 18.01 C +ATOM 8489 C PRO E 72 31.305 18.879 128.362 1.00 18.30 C +ATOM 8490 O PRO E 72 32.521 18.913 128.460 1.00 21.43 O +ATOM 8491 CB PRO E 72 31.309 20.340 126.302 1.00 19.84 C +ATOM 8492 CG PRO E 72 30.581 21.531 126.876 1.00 19.97 C +ATOM 8493 CD PRO E 72 29.138 21.041 127.088 1.00 18.88 C +ATOM 8494 N PHE E 73 30.514 18.584 129.390 1.00 17.81 N +ATOM 8495 CA PHE E 73 31.041 18.494 130.732 1.00 17.12 C +ATOM 8496 C PHE E 73 30.854 17.129 131.308 1.00 17.32 C +ATOM 8497 O PHE E 73 29.776 16.788 131.809 1.00 17.73 O +ATOM 8498 CB PHE E 73 30.367 19.553 131.598 1.00 19.28 C +ATOM 8499 CG PHE E 73 30.678 20.972 131.170 1.00 20.30 C +ATOM 8500 CD1 PHE E 73 31.953 21.499 131.323 1.00 20.54 C +ATOM 8501 CD2 PHE E 73 29.687 21.785 130.633 1.00 20.81 C +ATOM 8502 CE1 PHE E 73 32.234 22.798 130.912 1.00 21.52 C +ATOM 8503 CE2 PHE E 73 29.977 23.066 130.236 1.00 19.95 C +ATOM 8504 CZ PHE E 73 31.237 23.563 130.364 1.00 16.10 C +ATOM 8505 N GLY E 74 31.936 16.351 131.256 1.00 18.03 N +ATOM 8506 CA GLY E 74 31.908 14.928 131.603 1.00 17.41 C +ATOM 8507 C GLY E 74 32.620 14.660 132.902 1.00 16.81 C +ATOM 8508 O GLY E 74 33.385 15.479 133.361 1.00 16.11 O +ATOM 8509 N ALA E 75 32.340 13.506 133.498 1.00 17.04 N +ATOM 8510 CA ALA E 75 33.032 13.056 134.730 1.00 16.98 C +ATOM 8511 C ALA E 75 34.197 12.167 134.380 1.00 18.11 C +ATOM 8512 O ALA E 75 34.042 11.170 133.663 1.00 19.93 O +ATOM 8513 CB ALA E 75 32.090 12.325 135.642 1.00 14.90 C +ATOM 8514 N HIS E 76 35.369 12.498 134.917 1.00 19.58 N +ATOM 8515 CA HIS E 76 36.605 11.809 134.550 1.00 19.18 C +ATOM 8516 C HIS E 76 37.329 11.112 135.706 1.00 20.51 C +ATOM 8517 O HIS E 76 36.912 11.200 136.876 1.00 20.36 O +ATOM 8518 CB HIS E 76 37.495 12.801 133.825 1.00 21.09 C +ATOM 8519 CG HIS E 76 36.886 13.267 132.558 1.00 19.37 C +ATOM 8520 ND1 HIS E 76 36.687 12.428 131.489 1.00 21.72 N +ATOM 8521 CD2 HIS E 76 36.317 14.440 132.227 1.00 24.73 C +ATOM 8522 CE1 HIS E 76 36.033 13.070 130.546 1.00 23.54 C +ATOM 8523 NE2 HIS E 76 35.798 14.295 130.971 1.00 19.44 N +ATOM 8524 N ASN E 77 38.382 10.381 135.354 1.00 20.27 N +ATOM 8525 CA ASN E 77 39.090 9.498 136.251 1.00 20.72 C +ATOM 8526 C ASN E 77 40.396 10.108 136.701 1.00 22.00 C +ATOM 8527 O ASN E 77 40.888 11.039 136.064 1.00 21.65 O +ATOM 8528 CB ASN E 77 39.384 8.146 135.576 1.00 20.98 C +ATOM 8529 CG ASN E 77 38.144 7.311 135.408 1.00 24.05 C +ATOM 8530 OD1 ASN E 77 37.060 7.863 135.310 1.00 27.25 O +ATOM 8531 ND2 ASN E 77 38.290 5.983 135.364 1.00 19.05 N +ATOM 8532 N PRO E 78 40.981 9.550 137.792 1.00 22.82 N +ATOM 8533 CA PRO E 78 42.339 9.928 138.178 1.00 23.08 C +ATOM 8534 C PRO E 78 43.283 9.741 136.971 1.00 23.07 C +ATOM 8535 O PRO E 78 43.105 8.801 136.179 1.00 22.93 O +ATOM 8536 CB PRO E 78 42.680 8.960 139.313 1.00 21.39 C +ATOM 8537 CG PRO E 78 41.327 8.517 139.848 1.00 23.49 C +ATOM 8538 CD PRO E 78 40.415 8.504 138.659 1.00 20.10 C +ATOM 8539 N GLY E 79 44.230 10.656 136.808 1.00 22.26 N +ATOM 8540 CA GLY E 79 45.122 10.662 135.647 1.00 23.17 C +ATOM 8541 C GLY E 79 44.682 11.397 134.383 1.00 23.74 C +ATOM 8542 O GLY E 79 45.524 11.759 133.562 1.00 26.20 O +ATOM 8543 N GLN E 80 43.378 11.595 134.202 1.00 23.30 N +ATOM 8544 CA GLN E 80 42.814 12.280 133.040 1.00 23.44 C +ATOM 8545 C GLN E 80 42.814 13.788 133.194 1.00 24.48 C +ATOM 8546 O GLN E 80 43.029 14.515 132.235 1.00 24.50 O +ATOM 8547 CB GLN E 80 41.369 11.855 132.828 1.00 22.31 C +ATOM 8548 CG GLN E 80 41.204 10.403 132.497 1.00 21.35 C +ATOM 8549 CD GLN E 80 39.917 10.123 131.788 1.00 24.16 C +ATOM 8550 OE1 GLN E 80 38.848 10.082 132.403 1.00 23.27 O +ATOM 8551 NE2 GLN E 80 39.999 9.944 130.474 1.00 21.57 N +ATOM 8552 N ARG E 81 42.537 14.264 134.398 1.00 24.32 N +ATOM 8553 CA ARG E 81 42.440 15.711 134.635 1.00 26.36 C +ATOM 8554 C ARG E 81 43.753 16.407 134.341 1.00 26.42 C +ATOM 8555 O ARG E 81 43.748 17.581 133.947 1.00 27.75 O +ATOM 8556 CB ARG E 81 42.004 15.972 136.086 1.00 27.38 C +ATOM 8557 CG ARG E 81 41.538 17.361 136.399 1.00 28.99 C +ATOM 8558 CD ARG E 81 41.067 17.499 137.829 1.00 27.69 C +ATOM 8559 NE ARG E 81 42.099 17.081 138.789 1.00 34.52 N +ATOM 8560 CZ ARG E 81 42.104 17.410 140.081 1.00 36.88 C +ATOM 8561 NH1 ARG E 81 41.142 18.166 140.595 1.00 32.17 N +ATOM 8562 NH2 ARG E 81 43.083 16.983 140.872 1.00 38.47 N +ATOM 8563 N GLU E 82 44.870 15.691 134.521 1.00 27.15 N +ATOM 8564 CA GLU E 82 46.204 16.243 134.288 1.00 29.78 C +ATOM 8565 C GLU E 82 46.576 16.322 132.803 1.00 26.85 C +ATOM 8566 O GLU E 82 47.478 17.057 132.451 1.00 26.48 O +ATOM 8567 CB GLU E 82 47.275 15.471 135.082 1.00 30.41 C +ATOM 8568 CG GLU E 82 47.596 14.066 134.542 1.00 39.23 C +ATOM 8569 CD GLU E 82 48.307 13.119 135.559 1.00 40.26 C +ATOM 8570 OE1 GLU E 82 47.898 13.046 136.756 1.00 54.00 O +ATOM 8571 OE2 GLU E 82 49.269 12.419 135.127 1.00 51.64 O +ATOM 8572 N LEU E 83 45.886 15.591 131.936 1.00 25.09 N +ATOM 8573 CA LEU E 83 46.086 15.710 130.494 1.00 24.19 C +ATOM 8574 C LEU E 83 45.571 17.062 130.023 1.00 23.39 C +ATOM 8575 O LEU E 83 44.551 17.538 130.510 1.00 21.59 O +ATOM 8576 CB LEU E 83 45.344 14.572 129.747 1.00 25.77 C +ATOM 8577 CG LEU E 83 45.724 13.137 130.114 1.00 25.35 C +ATOM 8578 CD1 LEU E 83 44.770 12.092 129.527 1.00 22.32 C +ATOM 8579 CD2 LEU E 83 47.136 12.865 129.659 1.00 26.03 C +ATOM 8580 N PRO E 84 46.281 17.712 129.095 1.00 23.33 N +ATOM 8581 CA PRO E 84 45.878 19.061 128.725 1.00 22.52 C +ATOM 8582 C PRO E 84 44.451 19.175 128.120 1.00 21.56 C +ATOM 8583 O PRO E 84 44.093 18.452 127.201 1.00 20.97 O +ATOM 8584 CB PRO E 84 46.953 19.493 127.739 1.00 23.38 C +ATOM 8585 CG PRO E 84 47.636 18.233 127.300 1.00 28.10 C +ATOM 8586 CD PRO E 84 47.503 17.272 128.400 1.00 25.37 C +ATOM 8587 N PHE E 85 43.662 20.090 128.687 1.00 21.16 N +ATOM 8588 CA PHE E 85 42.325 20.457 128.209 1.00 20.65 C +ATOM 8589 C PHE E 85 41.236 19.414 128.493 1.00 20.59 C +ATOM 8590 O PHE E 85 40.122 19.521 128.010 1.00 21.85 O +ATOM 8591 CB PHE E 85 42.350 20.866 126.739 1.00 21.76 C +ATOM 8592 CG PHE E 85 43.519 21.731 126.378 1.00 22.23 C +ATOM 8593 CD1 PHE E 85 43.678 22.969 126.965 1.00 20.74 C +ATOM 8594 CD2 PHE E 85 44.471 21.282 125.470 1.00 21.37 C +ATOM 8595 CE1 PHE E 85 44.767 23.752 126.640 1.00 22.68 C +ATOM 8596 CE2 PHE E 85 45.557 22.073 125.122 1.00 24.39 C +ATOM 8597 CZ PHE E 85 45.711 23.295 125.712 1.00 25.28 C +ATOM 8598 N CYS E 86 41.554 18.442 129.332 1.00 20.85 N +ATOM 8599 CA CYS E 86 40.542 17.550 129.859 1.00 21.27 C +ATOM 8600 C CYS E 86 39.858 18.232 131.024 1.00 21.05 C +ATOM 8601 O CYS E 86 40.523 18.609 131.987 1.00 22.75 O +ATOM 8602 CB CYS E 86 41.175 16.241 130.326 1.00 21.06 C +ATOM 8603 SG CYS E 86 39.974 15.099 131.004 1.00 23.37 S +ATOM 8604 N ILE E 87 38.545 18.393 130.940 1.00 19.28 N +ATOM 8605 CA ILE E 87 37.770 19.084 131.997 1.00 19.78 C +ATOM 8606 C ILE E 87 36.967 18.091 132.857 1.00 18.59 C +ATOM 8607 O ILE E 87 35.979 17.504 132.405 1.00 18.67 O +ATOM 8608 CB ILE E 87 36.804 20.173 131.420 1.00 18.39 C +ATOM 8609 CG1 ILE E 87 37.570 21.172 130.512 1.00 22.17 C +ATOM 8610 CG2 ILE E 87 36.052 20.905 132.570 1.00 18.16 C +ATOM 8611 CD1 ILE E 87 38.960 21.680 131.014 1.00 16.70 C +ATOM 8612 N HIS E 88 37.383 17.919 134.106 1.00 18.48 N +ATOM 8613 CA HIS E 88 36.605 17.103 135.031 1.00 18.23 C +ATOM 8614 C HIS E 88 35.447 17.914 135.625 1.00 17.27 C +ATOM 8615 O HIS E 88 35.643 19.013 136.115 1.00 17.47 O +ATOM 8616 CB HIS E 88 37.465 16.489 136.161 1.00 18.84 C +ATOM 8617 CG HIS E 88 36.634 15.806 137.211 1.00 19.74 C +ATOM 8618 ND1 HIS E 88 35.906 14.663 136.946 1.00 23.29 N +ATOM 8619 CD2 HIS E 88 36.337 16.156 138.489 1.00 19.23 C +ATOM 8620 CE1 HIS E 88 35.217 14.324 138.022 1.00 22.11 C +ATOM 8621 NE2 HIS E 88 35.453 15.219 138.969 1.00 21.89 N +ATOM 8622 N THR E 89 34.247 17.345 135.574 1.00 17.19 N +ATOM 8623 CA THR E 89 33.039 17.957 136.071 1.00 17.04 C +ATOM 8624 C THR E 89 32.520 17.144 137.250 1.00 16.96 C +ATOM 8625 O THR E 89 32.197 15.948 137.102 1.00 17.23 O +ATOM 8626 CB THR E 89 31.900 17.998 134.966 1.00 16.92 C +ATOM 8627 OG1 THR E 89 32.451 18.508 133.752 1.00 19.39 O +ATOM 8628 CG2 THR E 89 30.755 18.892 135.357 1.00 12.31 C +ATOM 8629 N ARG E 90 32.384 17.814 138.402 1.00 14.88 N +ATOM 8630 CA ARG E 90 31.781 17.209 139.562 1.00 15.46 C +ATOM 8631 C ARG E 90 30.342 16.848 139.266 1.00 16.74 C +ATOM 8632 O ARG E 90 29.683 17.492 138.464 1.00 15.79 O +ATOM 8633 CB ARG E 90 31.845 18.159 140.758 1.00 16.10 C +ATOM 8634 CG ARG E 90 33.250 18.481 141.238 1.00 16.77 C +ATOM 8635 CD ARG E 90 33.282 19.596 142.309 1.00 17.78 C +ATOM 8636 NE ARG E 90 33.026 20.897 141.707 1.00 25.03 N +ATOM 8637 CZ ARG E 90 32.763 22.039 142.369 1.00 26.17 C +ATOM 8638 NH1 ARG E 90 32.705 22.089 143.685 1.00 29.31 N +ATOM 8639 NH2 ARG E 90 32.556 23.165 141.697 1.00 25.88 N +ATOM 8640 N TYR E 91 29.864 15.808 139.948 1.00 17.58 N +ATOM 8641 CA TYR E 91 28.500 15.339 139.854 1.00 17.16 C +ATOM 8642 C TYR E 91 27.521 16.453 140.153 1.00 15.42 C +ATOM 8643 O TYR E 91 26.540 16.607 139.426 1.00 17.06 O +ATOM 8644 CB TYR E 91 28.246 14.168 140.841 1.00 18.15 C +ATOM 8645 CG TYR E 91 26.927 13.445 140.598 1.00 18.69 C +ATOM 8646 CD1 TYR E 91 25.715 13.957 141.051 1.00 18.65 C +ATOM 8647 CD2 TYR E 91 26.914 12.247 139.907 1.00 22.66 C +ATOM 8648 CE1 TYR E 91 24.504 13.272 140.796 1.00 20.61 C +ATOM 8649 CE2 TYR E 91 25.743 11.571 139.646 1.00 22.71 C +ATOM 8650 CZ TYR E 91 24.538 12.066 140.097 1.00 23.55 C +ATOM 8651 OH TYR E 91 23.407 11.315 139.793 1.00 28.96 O +ATOM 8652 N ALA E 92 27.775 17.210 141.235 1.00 16.48 N +ATOM 8653 CA ALA E 92 26.897 18.326 141.617 1.00 15.83 C +ATOM 8654 C ALA E 92 26.804 19.395 140.508 1.00 15.31 C +ATOM 8655 O ALA E 92 25.750 19.984 140.304 1.00 15.64 O +ATOM 8656 CB ALA E 92 27.320 18.965 142.989 1.00 15.09 C +ATOM 8657 N THR E 93 27.895 19.617 139.785 1.00 15.48 N +ATOM 8658 CA THR E 93 27.917 20.577 138.663 1.00 14.81 C +ATOM 8659 C THR E 93 27.022 20.064 137.538 1.00 15.59 C +ATOM 8660 O THR E 93 26.167 20.797 137.013 1.00 15.66 O +ATOM 8661 CB THR E 93 29.351 20.811 138.122 1.00 14.33 C +ATOM 8662 OG1 THR E 93 30.190 21.219 139.202 1.00 12.59 O +ATOM 8663 CG2 THR E 93 29.364 21.897 137.003 1.00 14.47 C +ATOM 8664 N GLN E 94 27.195 18.790 137.203 1.00 16.67 N +ATOM 8665 CA GLN E 94 26.349 18.153 136.204 1.00 15.78 C +ATOM 8666 C GLN E 94 24.849 18.195 136.594 1.00 15.56 C +ATOM 8667 O GLN E 94 23.967 18.452 135.744 1.00 15.25 O +ATOM 8668 CB GLN E 94 26.774 16.729 135.963 1.00 14.95 C +ATOM 8669 CG GLN E 94 28.206 16.521 135.484 1.00 17.50 C +ATOM 8670 CD GLN E 94 28.440 15.084 135.144 1.00 15.66 C +ATOM 8671 OE1 GLN E 94 28.193 14.193 135.968 1.00 16.95 O +ATOM 8672 NE2 GLN E 94 28.925 14.828 133.915 1.00 16.74 N +ATOM 8673 N GLN E 95 24.571 17.921 137.868 1.00 16.73 N +ATOM 8674 CA GLN E 95 23.200 17.970 138.357 1.00 16.66 C +ATOM 8675 C GLN E 95 22.642 19.387 138.290 1.00 15.54 C +ATOM 8676 O GLN E 95 21.461 19.574 137.958 1.00 16.90 O +ATOM 8677 CB GLN E 95 23.094 17.417 139.773 1.00 16.36 C +ATOM 8678 CG GLN E 95 21.647 17.267 140.250 1.00 21.36 C +ATOM 8679 CD GLN E 95 21.542 16.721 141.658 1.00 26.61 C +ATOM 8680 OE1 GLN E 95 22.128 15.679 141.992 1.00 33.56 O +ATOM 8681 NE2 GLN E 95 20.793 17.426 142.495 1.00 38.54 N +ATOM 8682 N ALA E 96 23.458 20.387 138.605 1.00 15.58 N +ATOM 8683 CA ALA E 96 22.997 21.768 138.523 1.00 15.50 C +ATOM 8684 C ALA E 96 22.603 22.081 137.083 1.00 16.37 C +ATOM 8685 O ALA E 96 21.581 22.728 136.832 1.00 14.49 O +ATOM 8686 CB ALA E 96 24.083 22.764 139.002 1.00 14.42 C +ATOM 8687 N ILE E 97 23.422 21.624 136.135 1.00 15.91 N +ATOM 8688 CA ILE E 97 23.140 21.834 134.697 1.00 14.53 C +ATOM 8689 C ILE E 97 21.845 21.183 134.237 1.00 15.77 C +ATOM 8690 O ILE E 97 21.030 21.821 133.592 1.00 15.85 O +ATOM 8691 CB ILE E 97 24.305 21.332 133.786 1.00 13.81 C +ATOM 8692 CG1 ILE E 97 25.555 22.221 133.966 1.00 17.95 C +ATOM 8693 CG2 ILE E 97 23.807 21.255 132.275 1.00 17.08 C +ATOM 8694 CD1 ILE E 97 26.916 21.607 133.497 1.00 11.20 C +ATOM 8695 N LEU E 98 21.652 19.902 134.578 1.00 16.52 N +ATOM 8696 CA LEU E 98 20.443 19.181 134.184 1.00 16.60 C +ATOM 8697 C LEU E 98 19.222 19.837 134.809 1.00 17.17 C +ATOM 8698 O LEU E 98 18.202 19.979 134.139 1.00 18.09 O +ATOM 8699 CB LEU E 98 20.513 17.679 134.559 1.00 15.99 C +ATOM 8700 CG LEU E 98 19.327 16.814 134.126 1.00 16.14 C +ATOM 8701 CD1 LEU E 98 19.092 16.909 132.582 1.00 12.08 C +ATOM 8702 CD2 LEU E 98 19.478 15.377 134.575 1.00 14.80 C +ATOM 8703 N GLU E 99 19.334 20.249 136.071 1.00 18.03 N +ATOM 8704 CA GLU E 99 18.277 20.996 136.755 1.00 18.30 C +ATOM 8705 C GLU E 99 17.868 22.245 136.031 1.00 17.75 C +ATOM 8706 O GLU E 99 16.685 22.553 135.924 1.00 17.47 O +ATOM 8707 CB GLU E 99 18.704 21.402 138.163 1.00 17.16 C +ATOM 8708 CG GLU E 99 18.770 20.263 139.147 1.00 20.16 C +ATOM 8709 CD GLU E 99 19.297 20.680 140.546 1.00 23.38 C +ATOM 8710 OE1 GLU E 99 19.830 21.805 140.723 1.00 20.31 O +ATOM 8711 OE2 GLU E 99 19.145 19.864 141.477 1.00 27.99 O +ATOM 8712 N ASP E 100 18.839 23.007 135.577 1.00 16.49 N +ATOM 8713 CA ASP E 100 18.525 24.226 134.857 1.00 17.03 C +ATOM 8714 C ASP E 100 17.846 23.937 133.498 1.00 17.72 C +ATOM 8715 O ASP E 100 16.901 24.621 133.121 1.00 18.31 O +ATOM 8716 CB ASP E 100 19.799 25.083 134.705 1.00 17.45 C +ATOM 8717 CG ASP E 100 20.159 25.802 135.998 1.00 21.75 C +ATOM 8718 OD1 ASP E 100 19.295 25.870 136.910 1.00 20.63 O +ATOM 8719 OD2 ASP E 100 21.305 26.267 136.131 1.00 20.19 O +ATOM 8720 N ILE E 101 18.297 22.882 132.814 1.00 17.80 N +ATOM 8721 CA ILE E 101 17.720 22.473 131.548 1.00 16.12 C +ATOM 8722 C ILE E 101 16.285 22.003 131.737 1.00 16.83 C +ATOM 8723 O ILE E 101 15.404 22.436 130.996 1.00 17.53 O +ATOM 8724 CB ILE E 101 18.548 21.346 130.878 1.00 14.87 C +ATOM 8725 CG1 ILE E 101 19.936 21.837 130.459 1.00 17.64 C +ATOM 8726 CG2 ILE E 101 17.813 20.732 129.695 1.00 12.77 C +ATOM 8727 CD1 ILE E 101 20.847 20.698 130.142 1.00 12.18 C +ATOM 8728 N VAL E 102 16.053 21.121 132.711 1.00 17.03 N +ATOM 8729 CA VAL E 102 14.725 20.578 132.950 1.00 17.05 C +ATOM 8730 C VAL E 102 13.759 21.682 133.413 1.00 18.18 C +ATOM 8731 O VAL E 102 12.626 21.734 132.980 1.00 18.72 O +ATOM 8732 CB VAL E 102 14.757 19.378 133.926 1.00 18.80 C +ATOM 8733 CG1 VAL E 102 13.378 19.004 134.336 1.00 14.79 C +ATOM 8734 CG2 VAL E 102 15.478 18.145 133.273 1.00 14.92 C +ATOM 8735 N SER E 103 14.213 22.577 134.283 1.00 17.40 N +ATOM 8736 CA SER E 103 13.383 23.715 134.727 1.00 18.72 C +ATOM 8737 C SER E 103 12.826 24.534 133.545 1.00 18.33 C +ATOM 8738 O SER E 103 11.616 24.786 133.459 1.00 19.62 O +ATOM 8739 CB SER E 103 14.235 24.623 135.625 1.00 18.32 C +ATOM 8740 OG SER E 103 13.475 25.710 136.084 1.00 29.24 O +ATOM 8741 N SER E 104 13.726 24.923 132.637 1.00 18.05 N +ATOM 8742 CA SER E 104 13.411 25.699 131.445 1.00 18.11 C +ATOM 8743 C SER E 104 12.518 24.917 130.494 1.00 17.22 C +ATOM 8744 O SER E 104 11.485 25.417 130.074 1.00 18.01 O +ATOM 8745 CB SER E 104 14.697 26.155 130.733 1.00 19.65 C +ATOM 8746 OG SER E 104 15.309 27.225 131.415 1.00 18.66 O +ATOM 8747 N LEU E 105 12.871 23.678 130.189 1.00 17.71 N +ATOM 8748 CA LEU E 105 12.020 22.852 129.304 1.00 17.51 C +ATOM 8749 C LEU E 105 10.644 22.670 129.876 1.00 18.85 C +ATOM 8750 O LEU E 105 9.651 22.660 129.139 1.00 19.07 O +ATOM 8751 CB LEU E 105 12.649 21.491 129.018 1.00 17.30 C +ATOM 8752 CG LEU E 105 13.932 21.495 128.184 1.00 19.55 C +ATOM 8753 CD1 LEU E 105 14.525 20.095 128.184 1.00 17.39 C +ATOM 8754 CD2 LEU E 105 13.667 21.986 126.783 1.00 18.81 C +ATOM 8755 N HIS E 106 10.563 22.549 131.200 1.00 19.19 N +ATOM 8756 CA HIS E 106 9.296 22.362 131.832 1.00 21.05 C +ATOM 8757 C HIS E 106 8.397 23.580 131.708 1.00 20.79 C +ATOM 8758 O HIS E 106 7.222 23.437 131.444 1.00 22.64 O +ATOM 8759 CB HIS E 106 9.497 22.003 133.300 1.00 22.17 C +ATOM 8760 CG HIS E 106 8.249 21.541 133.966 1.00 21.95 C +ATOM 8761 ND1 HIS E 106 7.363 22.415 134.547 1.00 24.59 N +ATOM 8762 CD2 HIS E 106 7.720 20.305 134.112 1.00 24.32 C +ATOM 8763 CE1 HIS E 106 6.349 21.731 135.045 1.00 29.58 C +ATOM 8764 NE2 HIS E 106 6.527 20.453 134.773 1.00 21.68 N +ATOM 8765 N VAL E 107 8.961 24.770 131.906 1.00 21.66 N +ATOM 8766 CA VAL E 107 8.248 26.029 131.747 1.00 21.80 C +ATOM 8767 C VAL E 107 7.740 26.124 130.320 1.00 22.12 C +ATOM 8768 O VAL E 107 6.646 26.558 130.091 1.00 22.06 O +ATOM 8769 CB VAL E 107 9.113 27.290 132.084 1.00 18.94 C +ATOM 8770 CG1 VAL E 107 8.418 28.537 131.655 1.00 26.23 C +ATOM 8771 CG2 VAL E 107 9.393 27.362 133.555 1.00 27.85 C +ATOM 8772 N GLN E 108 8.542 25.659 129.371 1.00 21.88 N +ATOM 8773 CA GLN E 108 8.177 25.698 127.956 1.00 21.42 C +ATOM 8774 C GLN E 108 7.085 24.709 127.573 1.00 22.98 C +ATOM 8775 O GLN E 108 6.624 24.757 126.466 1.00 23.01 O +ATOM 8776 CB GLN E 108 9.421 25.455 127.092 1.00 21.69 C +ATOM 8777 CG GLN E 108 10.399 26.569 127.190 1.00 19.30 C +ATOM 8778 CD GLN E 108 11.825 26.144 126.940 1.00 17.40 C +ATOM 8779 OE1 GLN E 108 12.096 25.146 126.291 1.00 21.77 O +ATOM 8780 NE2 GLN E 108 12.743 26.926 127.443 1.00 15.03 N +ATOM 8781 N GLY E 109 6.672 23.811 128.478 1.00 22.90 N +ATOM 8782 CA GLY E 109 5.582 22.875 128.187 1.00 21.84 C +ATOM 8783 C GLY E 109 6.049 21.470 127.868 1.00 22.29 C +ATOM 8784 O GLY E 109 5.230 20.580 127.709 1.00 21.69 O +ATOM 8785 N PHE E 110 7.367 21.249 127.808 1.00 21.00 N +ATOM 8786 CA PHE E 110 7.890 19.953 127.476 1.00 19.49 C +ATOM 8787 C PHE E 110 7.828 19.030 128.650 1.00 20.19 C +ATOM 8788 O PHE E 110 7.908 19.469 129.779 1.00 20.29 O +ATOM 8789 CB PHE E 110 9.316 20.061 126.900 1.00 19.79 C +ATOM 8790 CG PHE E 110 9.366 20.874 125.657 1.00 16.57 C +ATOM 8791 CD1 PHE E 110 8.716 20.428 124.514 1.00 20.84 C +ATOM 8792 CD2 PHE E 110 9.987 22.103 125.640 1.00 18.43 C +ATOM 8793 CE1 PHE E 110 8.725 21.186 123.350 1.00 23.54 C +ATOM 8794 CE2 PHE E 110 9.999 22.892 124.496 1.00 19.01 C +ATOM 8795 CZ PHE E 110 9.367 22.438 123.350 1.00 23.82 C +ATOM 8796 N ARG E 111 7.660 17.742 128.357 1.00 19.32 N +ATOM 8797 CA ARG E 111 7.385 16.752 129.376 1.00 21.24 C +ATOM 8798 C ARG E 111 8.136 15.448 129.144 1.00 20.48 C +ATOM 8799 O ARG E 111 7.995 14.517 129.929 1.00 20.78 O +ATOM 8800 CB ARG E 111 5.877 16.464 129.443 1.00 21.18 C +ATOM 8801 CG ARG E 111 5.000 17.624 129.932 1.00 19.98 C +ATOM 8802 CD ARG E 111 5.358 18.034 131.334 1.00 21.67 C +ATOM 8803 NE ARG E 111 4.545 19.137 131.826 1.00 23.80 N +ATOM 8804 CZ ARG E 111 4.828 20.434 131.730 1.00 21.52 C +ATOM 8805 NH1 ARG E 111 5.938 20.889 131.173 1.00 17.43 N +ATOM 8806 NH2 ARG E 111 3.981 21.299 132.247 1.00 21.56 N +ATOM 8807 N LYS E 112 8.952 15.383 128.100 1.00 19.69 N +ATOM 8808 CA LYS E 112 9.687 14.161 127.739 1.00 20.30 C +ATOM 8809 C LYS E 112 11.106 14.477 127.281 1.00 19.33 C +ATOM 8810 O LYS E 112 11.310 15.155 126.307 1.00 18.76 O +ATOM 8811 CB LYS E 112 8.963 13.405 126.646 1.00 20.33 C +ATOM 8812 CG LYS E 112 7.680 12.717 127.131 1.00 26.10 C +ATOM 8813 CD LYS E 112 6.643 12.665 126.095 1.00 32.79 C +ATOM 8814 CE LYS E 112 5.376 12.046 126.660 1.00 40.69 C +ATOM 8815 NZ LYS E 112 4.273 12.173 125.669 1.00 43.75 N +ATOM 8816 N LEU E 113 12.075 13.954 128.008 1.00 19.23 N +ATOM 8817 CA LEU E 113 13.489 14.146 127.728 1.00 18.45 C +ATOM 8818 C LEU E 113 14.241 12.807 127.680 1.00 17.96 C +ATOM 8819 O LEU E 113 14.053 11.952 128.528 1.00 18.65 O +ATOM 8820 CB LEU E 113 14.097 15.053 128.823 1.00 19.57 C +ATOM 8821 CG LEU E 113 15.595 15.382 128.703 1.00 16.62 C +ATOM 8822 CD1 LEU E 113 15.827 16.274 127.438 1.00 13.61 C +ATOM 8823 CD2 LEU E 113 16.127 16.072 129.996 1.00 17.48 C +ATOM 8824 N LEU E 114 15.118 12.647 126.694 1.00 17.75 N +ATOM 8825 CA LEU E 114 16.075 11.586 126.693 1.00 17.37 C +ATOM 8826 C LEU E 114 17.496 12.158 126.716 1.00 17.45 C +ATOM 8827 O LEU E 114 17.857 12.946 125.838 1.00 18.37 O +ATOM 8828 CB LEU E 114 15.896 10.703 125.462 1.00 18.83 C +ATOM 8829 CG LEU E 114 17.065 9.739 125.265 1.00 21.01 C +ATOM 8830 CD1 LEU E 114 16.831 8.447 126.059 1.00 14.73 C +ATOM 8831 CD2 LEU E 114 17.310 9.503 123.808 1.00 19.44 C +ATOM 8832 N ILE E 115 18.286 11.754 127.714 1.00 17.13 N +ATOM 8833 CA ILE E 115 19.724 12.099 127.782 1.00 17.53 C +ATOM 8834 C ILE E 115 20.495 11.036 126.990 1.00 18.34 C +ATOM 8835 O ILE E 115 20.416 9.827 127.308 1.00 18.12 O +ATOM 8836 CB ILE E 115 20.266 12.160 129.229 1.00 16.17 C +ATOM 8837 CG1 ILE E 115 19.403 13.136 130.070 1.00 18.65 C +ATOM 8838 CG2 ILE E 115 21.799 12.539 129.218 1.00 17.13 C +ATOM 8839 CD1 ILE E 115 19.612 13.117 131.596 1.00 14.94 C +ATOM 8840 N LEU E 116 21.184 11.465 125.926 1.00 17.45 N +ATOM 8841 CA LEU E 116 21.955 10.538 125.106 1.00 16.71 C +ATOM 8842 C LEU E 116 23.419 10.835 125.289 1.00 17.57 C +ATOM 8843 O LEU E 116 23.957 11.845 124.786 1.00 17.52 O +ATOM 8844 CB LEU E 116 21.579 10.562 123.626 1.00 16.29 C +ATOM 8845 CG LEU E 116 22.185 9.427 122.767 1.00 18.48 C +ATOM 8846 CD1 LEU E 116 21.727 7.926 123.193 1.00 10.93 C +ATOM 8847 CD2 LEU E 116 21.903 9.756 121.238 1.00 16.45 C +ATOM 8848 N SER E 117 24.037 9.957 126.059 1.00 17.78 N +ATOM 8849 CA SER E 117 25.375 10.147 126.526 1.00 18.40 C +ATOM 8850 C SER E 117 26.371 9.509 125.578 1.00 20.00 C +ATOM 8851 O SER E 117 26.120 8.487 125.008 1.00 20.18 O +ATOM 8852 CB SER E 117 25.525 9.565 127.907 1.00 16.23 C +ATOM 8853 OG SER E 117 26.853 9.769 128.369 1.00 17.99 O +ATOM 8854 N GLY E 118 27.485 10.191 125.389 1.00 20.72 N +ATOM 8855 CA GLY E 118 28.586 9.706 124.613 1.00 20.63 C +ATOM 8856 C GLY E 118 29.794 9.399 125.469 1.00 19.73 C +ATOM 8857 O GLY E 118 30.802 9.011 124.935 1.00 20.44 O +ATOM 8858 N HIS E 119 29.649 9.533 126.797 1.00 19.53 N +ATOM 8859 CA HIS E 119 30.723 9.305 127.759 1.00 20.98 C +ATOM 8860 C HIS E 119 30.304 8.326 128.869 1.00 22.09 C +ATOM 8861 O HIS E 119 29.359 8.569 129.598 1.00 23.57 O +ATOM 8862 CB HIS E 119 31.204 10.648 128.327 1.00 19.34 C +ATOM 8863 CG HIS E 119 32.268 10.531 129.367 1.00 19.32 C +ATOM 8864 ND1 HIS E 119 33.462 9.899 129.136 1.00 18.96 N +ATOM 8865 CD2 HIS E 119 32.322 10.973 130.649 1.00 22.63 C +ATOM 8866 CE1 HIS E 119 34.203 9.937 130.232 1.00 21.87 C +ATOM 8867 NE2 HIS E 119 33.530 10.575 131.168 1.00 18.41 N +ATOM 8868 N GLY E 120 31.027 7.215 128.983 1.00 22.62 N +ATOM 8869 CA GLY E 120 30.700 6.178 129.954 1.00 23.05 C +ATOM 8870 C GLY E 120 30.886 6.550 131.416 1.00 23.45 C +ATOM 8871 O GLY E 120 30.291 5.929 132.272 1.00 24.57 O +ATOM 8872 N GLY E 121 31.730 7.549 131.679 1.00 23.45 N +ATOM 8873 CA GLY E 121 31.923 8.129 132.996 1.00 22.82 C +ATOM 8874 C GLY E 121 30.720 8.908 133.503 1.00 22.72 C +ATOM 8875 O GLY E 121 30.628 9.177 134.691 1.00 23.02 O +ATOM 8876 N ASN E 122 29.802 9.287 132.615 1.00 22.35 N +ATOM 8877 CA ASN E 122 28.598 10.001 133.039 1.00 21.80 C +ATOM 8878 C ASN E 122 27.573 8.982 133.558 1.00 22.18 C +ATOM 8879 O ASN E 122 27.351 7.944 132.951 1.00 21.51 O +ATOM 8880 CB ASN E 122 27.960 10.835 131.918 1.00 22.27 C +ATOM 8881 CG ASN E 122 28.854 11.956 131.403 1.00 21.80 C +ATOM 8882 OD1 ASN E 122 29.722 12.461 132.110 1.00 18.57 O +ATOM 8883 ND2 ASN E 122 28.630 12.346 130.156 1.00 17.18 N +ATOM 8884 N ASN E 123 26.980 9.309 134.691 1.00 21.25 N +ATOM 8885 CA ASN E 123 25.917 8.532 135.310 1.00 22.59 C +ATOM 8886 C ASN E 123 24.793 9.478 135.661 1.00 20.90 C +ATOM 8887 O ASN E 123 25.021 10.468 136.330 1.00 21.64 O +ATOM 8888 CB ASN E 123 26.462 7.901 136.573 1.00 24.76 C +ATOM 8889 CG ASN E 123 27.355 6.723 136.283 1.00 32.14 C +ATOM 8890 OD1 ASN E 123 26.865 5.657 135.860 1.00 38.83 O +ATOM 8891 ND2 ASN E 123 28.682 6.895 136.501 1.00 32.39 N +ATOM 8892 N PHE E 124 23.589 9.165 135.222 1.00 19.52 N +ATOM 8893 CA PHE E 124 22.469 10.054 135.376 1.00 18.91 C +ATOM 8894 C PHE E 124 21.308 9.474 136.214 1.00 18.80 C +ATOM 8895 O PHE E 124 20.325 10.155 136.425 1.00 19.22 O +ATOM 8896 CB PHE E 124 21.946 10.424 133.989 1.00 19.76 C +ATOM 8897 CG PHE E 124 22.939 11.163 133.150 1.00 17.62 C +ATOM 8898 CD1 PHE E 124 23.189 12.511 133.385 1.00 18.08 C +ATOM 8899 CD2 PHE E 124 23.608 10.529 132.132 1.00 15.53 C +ATOM 8900 CE1 PHE E 124 24.107 13.186 132.638 1.00 14.89 C +ATOM 8901 CE2 PHE E 124 24.517 11.212 131.370 1.00 18.07 C +ATOM 8902 CZ PHE E 124 24.761 12.534 131.609 1.00 15.02 C +ATOM 8903 N LYS E 125 21.443 8.256 136.732 1.00 19.23 N +ATOM 8904 CA LYS E 125 20.318 7.604 137.409 1.00 18.77 C +ATOM 8905 C LYS E 125 19.919 8.333 138.672 1.00 18.58 C +ATOM 8906 O LYS E 125 18.747 8.581 138.895 1.00 20.34 O +ATOM 8907 CB LYS E 125 20.648 6.172 137.729 1.00 17.83 C +ATOM 8908 CG LYS E 125 20.948 5.332 136.516 1.00 17.54 C +ATOM 8909 CD LYS E 125 20.867 3.871 136.870 1.00 23.15 C +ATOM 8910 CE LYS E 125 21.268 2.985 135.680 1.00 23.92 C +ATOM 8911 NZ LYS E 125 20.981 1.598 135.948 1.00 31.05 N +ATOM 8912 N GLY E 126 20.888 8.680 139.498 1.00 17.70 N +ATOM 8913 CA GLY E 126 20.626 9.459 140.675 1.00 17.96 C +ATOM 8914 C GLY E 126 19.977 10.805 140.411 1.00 19.54 C +ATOM 8915 O GLY E 126 19.044 11.186 141.124 1.00 17.63 O +HETATM 8916 N MSE E 127 20.471 11.530 139.395 1.00 19.53 N +HETATM 8917 CA MSE E 127 19.900 12.816 138.999 1.00 19.56 C +HETATM 8918 C MSE E 127 18.466 12.636 138.561 1.00 18.17 C +HETATM 8919 O MSE E 127 17.592 13.446 138.879 1.00 17.29 O +HETATM 8920 CB MSE E 127 20.664 13.438 137.809 1.00 19.47 C +HETATM 8921 CG MSE E 127 22.086 13.529 137.958 1.00 23.37 C +HETATM 8922 SE MSE E 127 22.952 14.616 136.572 0.75 18.74 SE +HETATM 8923 CE MSE E 127 24.716 13.879 136.993 1.00 15.43 C +ATOM 8924 N ILE E 128 18.224 11.577 137.802 1.00 18.54 N +ATOM 8925 CA ILE E 128 16.864 11.296 137.313 1.00 18.34 C +ATOM 8926 C ILE E 128 15.883 10.941 138.432 1.00 18.06 C +ATOM 8927 O ILE E 128 14.747 11.390 138.420 1.00 18.56 O +ATOM 8928 CB ILE E 128 16.895 10.196 136.216 1.00 18.99 C +ATOM 8929 CG1 ILE E 128 17.435 10.788 134.925 1.00 18.65 C +ATOM 8930 CG2 ILE E 128 15.520 9.594 135.962 1.00 14.16 C +ATOM 8931 CD1 ILE E 128 17.854 9.715 133.921 1.00 14.87 C +ATOM 8932 N ARG E 129 16.315 10.153 139.410 1.00 18.48 N +ATOM 8933 CA ARG E 129 15.476 9.850 140.579 1.00 18.46 C +ATOM 8934 C ARG E 129 15.124 11.133 141.338 1.00 19.27 C +ATOM 8935 O ARG E 129 13.982 11.353 141.701 1.00 20.16 O +ATOM 8936 CB ARG E 129 16.187 8.899 141.531 1.00 16.70 C +ATOM 8937 CG ARG E 129 16.280 7.499 141.009 1.00 20.68 C +ATOM 8938 CD ARG E 129 17.041 6.569 141.950 1.00 19.52 C +ATOM 8939 NE ARG E 129 16.684 5.195 141.644 1.00 22.48 N +ATOM 8940 CZ ARG E 129 17.450 4.309 141.013 1.00 17.30 C +ATOM 8941 NH1 ARG E 129 18.679 4.580 140.641 1.00 24.48 N +ATOM 8942 NH2 ARG E 129 16.972 3.107 140.800 1.00 21.80 N +ATOM 8943 N ASP E 130 16.121 11.972 141.595 1.00 18.84 N +ATOM 8944 CA ASP E 130 15.874 13.228 142.286 1.00 19.05 C +ATOM 8945 C ASP E 130 14.919 14.162 141.529 1.00 19.54 C +ATOM 8946 O ASP E 130 14.040 14.774 142.135 1.00 20.13 O +ATOM 8947 CB ASP E 130 17.204 13.892 142.632 1.00 18.49 C +ATOM 8948 CG ASP E 130 17.987 13.101 143.679 1.00 22.21 C +ATOM 8949 OD1 ASP E 130 17.391 12.205 144.314 1.00 22.10 O +ATOM 8950 OD2 ASP E 130 19.191 13.379 143.893 1.00 22.32 O +ATOM 8951 N LEU E 131 15.047 14.236 140.210 1.00 19.20 N +ATOM 8952 CA LEU E 131 14.143 15.076 139.424 1.00 19.87 C +ATOM 8953 C LEU E 131 12.743 14.486 139.235 1.00 20.38 C +ATOM 8954 O LEU E 131 11.797 15.210 138.987 1.00 20.97 O +ATOM 8955 CB LEU E 131 14.748 15.412 138.076 1.00 18.23 C +ATOM 8956 CG LEU E 131 15.869 16.437 138.133 1.00 21.02 C +ATOM 8957 CD1 LEU E 131 16.768 16.262 136.899 1.00 21.66 C +ATOM 8958 CD2 LEU E 131 15.314 17.819 138.216 1.00 14.72 C +ATOM 8959 N ALA E 132 12.626 13.169 139.341 1.00 21.36 N +ATOM 8960 CA ALA E 132 11.335 12.510 139.286 1.00 21.97 C +ATOM 8961 C ALA E 132 10.441 12.997 140.397 1.00 22.04 C +ATOM 8962 O ALA E 132 9.264 13.065 140.210 1.00 23.82 O +ATOM 8963 CB ALA E 132 11.496 10.985 139.358 1.00 20.13 C +ATOM 8964 N PHE E 133 11.019 13.334 141.548 1.00 24.32 N +ATOM 8965 CA PHE E 133 10.274 13.837 142.699 1.00 25.45 C +ATOM 8966 C PHE E 133 9.982 15.321 142.607 1.00 26.40 C +ATOM 8967 O PHE E 133 8.907 15.743 142.993 1.00 27.22 O +ATOM 8968 CB PHE E 133 10.991 13.472 144.019 1.00 25.93 C +ATOM 8969 CG PHE E 133 11.054 11.968 144.276 1.00 24.69 C +ATOM 8970 CD1 PHE E 133 9.897 11.203 144.318 1.00 27.07 C +ATOM 8971 CD2 PHE E 133 12.245 11.328 144.441 1.00 23.80 C +ATOM 8972 CE1 PHE E 133 9.969 9.824 144.523 1.00 25.67 C +ATOM 8973 CE2 PHE E 133 12.310 9.944 144.655 1.00 23.50 C +ATOM 8974 CZ PHE E 133 11.190 9.208 144.701 1.00 22.13 C +ATOM 8975 N GLU E 134 10.924 16.112 142.081 1.00 27.12 N +ATOM 8976 CA GLU E 134 10.685 17.546 141.836 1.00 30.21 C +ATOM 8977 C GLU E 134 9.695 17.813 140.707 1.00 26.08 C +ATOM 8978 O GLU E 134 8.956 18.789 140.752 1.00 25.11 O +ATOM 8979 CB GLU E 134 11.975 18.278 141.448 1.00 29.77 C +ATOM 8980 CG GLU E 134 13.092 18.306 142.484 1.00 40.80 C +ATOM 8981 CD GLU E 134 14.338 19.055 141.949 1.00 43.20 C +ATOM 8982 OE1 GLU E 134 15.417 18.407 141.796 1.00 58.02 O +ATOM 8983 OE2 GLU E 134 14.227 20.282 141.664 1.00 54.78 O +ATOM 8984 N TYR E 135 9.768 17.014 139.646 1.00 23.41 N +ATOM 8985 CA TYR E 135 8.943 17.216 138.434 1.00 22.27 C +ATOM 8986 C TYR E 135 8.268 15.894 138.114 1.00 22.85 C +ATOM 8987 O TYR E 135 8.695 15.175 137.203 1.00 20.75 O +ATOM 8988 CB TYR E 135 9.791 17.661 137.229 1.00 19.74 C +ATOM 8989 CG TYR E 135 10.543 18.964 137.419 1.00 21.23 C +ATOM 8990 CD1 TYR E 135 9.941 20.177 137.143 1.00 21.90 C +ATOM 8991 CD2 TYR E 135 11.864 18.971 137.875 1.00 19.60 C +ATOM 8992 CE1 TYR E 135 10.619 21.370 137.340 1.00 24.56 C +ATOM 8993 CE2 TYR E 135 12.557 20.159 138.074 1.00 21.76 C +ATOM 8994 CZ TYR E 135 11.929 21.359 137.800 1.00 22.63 C +ATOM 8995 OH TYR E 135 12.602 22.556 137.974 1.00 22.46 O +ATOM 8996 N PRO E 136 7.243 15.527 138.897 1.00 24.87 N +ATOM 8997 CA PRO E 136 6.593 14.217 138.741 1.00 25.59 C +ATOM 8998 C PRO E 136 5.982 13.975 137.361 1.00 25.80 C +ATOM 8999 O PRO E 136 5.783 12.815 136.973 1.00 26.61 O +ATOM 9000 CB PRO E 136 5.497 14.233 139.825 1.00 26.92 C +ATOM 9001 CG PRO E 136 5.355 15.620 140.233 1.00 26.31 C +ATOM 9002 CD PRO E 136 6.643 16.308 139.995 1.00 26.61 C +ATOM 9003 N ASP E 137 5.696 15.064 136.634 1.00 25.39 N +ATOM 9004 CA ASP E 137 5.060 14.991 135.314 1.00 25.79 C +ATOM 9005 C ASP E 137 6.050 15.013 134.109 1.00 24.48 C +ATOM 9006 O ASP E 137 5.652 15.056 132.945 1.00 23.30 O +ATOM 9007 CB ASP E 137 4.033 16.121 135.215 1.00 27.33 C +ATOM 9008 CG ASP E 137 4.657 17.499 135.384 1.00 31.61 C +ATOM 9009 OD1 ASP E 137 5.860 17.603 135.743 1.00 31.86 O +ATOM 9010 OD2 ASP E 137 3.928 18.492 135.175 1.00 44.23 O +ATOM 9011 N PHE E 138 7.342 14.956 134.415 1.00 23.01 N +ATOM 9012 CA PHE E 138 8.391 15.128 133.430 1.00 21.44 C +ATOM 9013 C PHE E 138 9.177 13.816 133.359 1.00 21.13 C +ATOM 9014 O PHE E 138 9.866 13.415 134.316 1.00 21.11 O +ATOM 9015 CB PHE E 138 9.273 16.313 133.844 1.00 21.86 C +ATOM 9016 CG PHE E 138 10.157 16.816 132.766 1.00 18.67 C +ATOM 9017 CD1 PHE E 138 11.333 16.177 132.468 1.00 29.83 C +ATOM 9018 CD2 PHE E 138 9.831 17.945 132.050 1.00 22.81 C +ATOM 9019 CE1 PHE E 138 12.179 16.658 131.452 1.00 28.93 C +ATOM 9020 CE2 PHE E 138 10.683 18.434 131.042 1.00 25.73 C +ATOM 9021 CZ PHE E 138 11.846 17.775 130.741 1.00 18.92 C +ATOM 9022 N LEU E 139 9.051 13.137 132.226 1.00 21.09 N +ATOM 9023 CA LEU E 139 9.731 11.871 131.997 1.00 21.53 C +ATOM 9024 C LEU E 139 11.149 12.133 131.550 1.00 21.16 C +ATOM 9025 O LEU E 139 11.329 12.782 130.542 1.00 21.63 O +ATOM 9026 CB LEU E 139 9.039 11.106 130.880 1.00 21.34 C +ATOM 9027 CG LEU E 139 9.553 9.709 130.539 1.00 23.22 C +ATOM 9028 CD1 LEU E 139 9.377 8.760 131.730 1.00 19.66 C +ATOM 9029 CD2 LEU E 139 8.811 9.209 129.328 1.00 22.42 C +ATOM 9030 N ILE E 140 12.132 11.591 132.266 1.00 19.91 N +ATOM 9031 CA ILE E 140 13.514 11.599 131.813 1.00 19.23 C +ATOM 9032 C ILE E 140 14.067 10.180 131.715 1.00 19.17 C +ATOM 9033 O ILE E 140 14.032 9.434 132.691 1.00 18.75 O +ATOM 9034 CB ILE E 140 14.447 12.416 132.729 1.00 20.61 C +ATOM 9035 CG1 ILE E 140 13.880 13.807 133.018 1.00 18.87 C +ATOM 9036 CG2 ILE E 140 15.844 12.500 132.112 1.00 16.70 C +ATOM 9037 CD1 ILE E 140 14.682 14.577 134.042 1.00 16.68 C +ATOM 9038 N ALA E 141 14.578 9.843 130.520 1.00 19.06 N +ATOM 9039 CA ALA E 141 15.253 8.592 130.225 1.00 18.05 C +ATOM 9040 C ALA E 141 16.728 8.881 129.947 1.00 18.22 C +ATOM 9041 O ALA E 141 17.089 10.021 129.620 1.00 18.66 O +ATOM 9042 CB ALA E 141 14.617 7.900 129.028 1.00 13.60 C +ATOM 9043 N ALA E 142 17.561 7.853 130.063 1.00 17.38 N +ATOM 9044 CA ALA E 142 18.982 7.965 129.799 1.00 17.98 C +ATOM 9045 C ALA E 142 19.529 6.705 129.108 1.00 19.11 C +ATOM 9046 O ALA E 142 19.129 5.566 129.432 1.00 18.94 O +ATOM 9047 CB ALA E 142 19.746 8.254 131.071 1.00 16.32 C +ATOM 9048 N ALA E 143 20.418 6.943 128.132 1.00 19.53 N +ATOM 9049 CA ALA E 143 21.151 5.900 127.425 1.00 20.66 C +ATOM 9050 C ALA E 143 22.544 6.353 127.006 1.00 20.31 C +ATOM 9051 O ALA E 143 22.764 7.537 126.715 1.00 19.36 O +ATOM 9052 CB ALA E 143 20.367 5.412 126.189 1.00 19.68 C +ATOM 9053 N ASN E 144 23.481 5.403 126.975 1.00 20.40 N +ATOM 9054 CA ASN E 144 24.701 5.564 126.206 1.00 21.21 C +ATOM 9055 C ASN E 144 24.475 5.067 124.778 1.00 21.10 C +ATOM 9056 O ASN E 144 23.970 3.945 124.589 1.00 21.05 O +ATOM 9057 CB ASN E 144 25.839 4.784 126.827 1.00 19.51 C +ATOM 9058 CG ASN E 144 26.242 5.317 128.183 1.00 25.23 C +ATOM 9059 OD1 ASN E 144 26.723 6.441 128.307 1.00 25.16 O +ATOM 9060 ND2 ASN E 144 26.082 4.487 129.215 1.00 23.88 N +ATOM 9061 N TRP E 145 24.875 5.851 123.772 1.00 19.84 N +ATOM 9062 CA TRP E 145 24.553 5.492 122.372 1.00 20.27 C +ATOM 9063 C TRP E 145 25.251 4.175 122.026 1.00 20.73 C +ATOM 9064 O TRP E 145 24.752 3.375 121.227 1.00 20.49 O +ATOM 9065 CB TRP E 145 24.948 6.585 121.359 1.00 20.47 C +ATOM 9066 CG TRP E 145 26.431 6.776 121.203 1.00 18.56 C +ATOM 9067 CD1 TRP E 145 27.198 7.694 121.845 1.00 19.50 C +ATOM 9068 CD2 TRP E 145 27.313 6.054 120.335 1.00 21.28 C +ATOM 9069 NE1 TRP E 145 28.506 7.572 121.462 1.00 21.12 N +ATOM 9070 CE2 TRP E 145 28.609 6.583 120.528 1.00 18.48 C +ATOM 9071 CE3 TRP E 145 27.137 5.006 119.414 1.00 18.98 C +ATOM 9072 CZ2 TRP E 145 29.734 6.097 119.848 1.00 20.14 C +ATOM 9073 CZ3 TRP E 145 28.242 4.529 118.737 1.00 19.80 C +ATOM 9074 CH2 TRP E 145 29.534 5.073 118.957 1.00 21.65 C +ATOM 9075 N PHE E 146 26.403 3.960 122.657 1.00 21.43 N +ATOM 9076 CA PHE E 146 27.247 2.815 122.352 1.00 21.29 C +ATOM 9077 C PHE E 146 26.829 1.538 123.073 1.00 21.54 C +ATOM 9078 O PHE E 146 27.485 0.517 122.941 1.00 23.31 O +ATOM 9079 CB PHE E 146 28.701 3.141 122.672 1.00 21.58 C +ATOM 9080 CG PHE E 146 28.915 3.646 124.056 1.00 22.31 C +ATOM 9081 CD1 PHE E 146 29.086 2.768 125.112 1.00 23.89 C +ATOM 9082 CD2 PHE E 146 28.981 5.023 124.305 1.00 24.37 C +ATOM 9083 CE1 PHE E 146 29.289 3.249 126.404 1.00 24.01 C +ATOM 9084 CE2 PHE E 146 29.177 5.514 125.598 1.00 26.44 C +ATOM 9085 CZ PHE E 146 29.338 4.630 126.649 1.00 27.53 C +ATOM 9086 N GLU E 147 25.741 1.585 123.825 1.00 21.54 N +ATOM 9087 CA GLU E 147 25.213 0.405 124.467 1.00 21.48 C +ATOM 9088 C GLU E 147 23.852 0.016 123.851 1.00 22.28 C +ATOM 9089 O GLU E 147 23.241 -0.942 124.290 1.00 23.38 O +ATOM 9090 CB GLU E 147 25.070 0.683 125.975 1.00 21.59 C +ATOM 9091 CG GLU E 147 26.394 0.774 126.709 1.00 23.05 C +ATOM 9092 CD GLU E 147 26.234 1.151 128.193 1.00 25.03 C +ATOM 9093 OE1 GLU E 147 25.221 1.788 128.617 1.00 25.89 O +ATOM 9094 OE2 GLU E 147 27.165 0.828 128.936 1.00 32.22 O +ATOM 9095 N VAL E 148 23.371 0.765 122.854 1.00 23.12 N +ATOM 9096 CA VAL E 148 22.090 0.445 122.224 1.00 22.24 C +ATOM 9097 C VAL E 148 22.192 -0.863 121.411 1.00 23.55 C +ATOM 9098 O VAL E 148 21.278 -1.679 121.435 1.00 22.73 O +ATOM 9099 CB VAL E 148 21.568 1.600 121.377 1.00 22.75 C +ATOM 9100 CG1 VAL E 148 20.279 1.208 120.687 1.00 18.82 C +ATOM 9101 CG2 VAL E 148 21.346 2.878 122.257 1.00 19.17 C +ATOM 9102 N VAL E 149 23.313 -1.049 120.717 1.00 23.47 N +ATOM 9103 CA VAL E 149 23.582 -2.238 119.895 1.00 22.84 C +ATOM 9104 C VAL E 149 24.937 -2.795 120.283 1.00 23.92 C +ATOM 9105 O VAL E 149 25.898 -2.056 120.397 1.00 23.30 O +ATOM 9106 CB VAL E 149 23.543 -1.904 118.371 1.00 22.16 C +ATOM 9107 CG1 VAL E 149 23.910 -3.105 117.515 1.00 22.91 C +ATOM 9108 CG2 VAL E 149 22.180 -1.418 117.972 1.00 20.93 C +ATOM 9109 N SER E 150 25.006 -4.097 120.535 1.00 26.41 N +ATOM 9110 CA SER E 150 26.286 -4.742 120.858 1.00 29.22 C +ATOM 9111 C SER E 150 27.262 -4.574 119.699 1.00 29.54 C +ATOM 9112 O SER E 150 26.842 -4.624 118.549 1.00 29.55 O +ATOM 9113 CB SER E 150 26.083 -6.247 121.108 1.00 29.37 C +ATOM 9114 OG SER E 150 27.327 -6.924 121.105 1.00 32.23 O +ATOM 9115 N PRO E 151 28.556 -4.375 119.993 1.00 31.45 N +ATOM 9116 CA PRO E 151 29.552 -4.275 118.938 1.00 32.40 C +ATOM 9117 C PRO E 151 29.987 -5.624 118.325 1.00 34.09 C +ATOM 9118 O PRO E 151 30.861 -5.637 117.462 1.00 34.04 O +ATOM 9119 CB PRO E 151 30.737 -3.638 119.644 1.00 31.27 C +ATOM 9120 CG PRO E 151 30.615 -4.120 121.047 1.00 32.64 C +ATOM 9121 CD PRO E 151 29.154 -4.198 121.328 1.00 31.86 C +ATOM 9122 N LYS E 152 29.414 -6.746 118.771 1.00 31.43 N +ATOM 9123 CA LYS E 152 29.741 -8.062 118.205 1.00 30.44 C +ATOM 9124 C LYS E 152 29.283 -8.199 116.743 1.00 28.55 C +ATOM 9125 O LYS E 152 28.089 -8.052 116.436 1.00 25.71 O +ATOM 9126 CB LYS E 152 29.153 -9.206 119.055 1.00 31.01 C +ATOM 9127 CG LYS E 152 29.695 -10.600 118.650 1.00 35.48 C +ATOM 9128 CD LYS E 152 29.286 -11.714 119.621 1.00 35.96 C +ATOM 9129 CE LYS E 152 29.694 -13.132 119.115 1.00 39.92 C +ATOM 9130 NZ LYS E 152 28.769 -14.224 119.663 1.00 48.53 N +ATOM 9131 N GLY E 153 30.252 -8.464 115.852 1.00 27.54 N +ATOM 9132 CA GLY E 153 30.000 -8.634 114.436 1.00 27.49 C +ATOM 9133 C GLY E 153 30.236 -7.337 113.696 1.00 28.71 C +ATOM 9134 O GLY E 153 30.269 -7.317 112.457 1.00 29.68 O +ATOM 9135 N TYR E 154 30.354 -6.239 114.450 1.00 28.76 N +ATOM 9136 CA TYR E 154 30.552 -4.923 113.843 1.00 26.26 C +ATOM 9137 C TYR E 154 32.015 -4.501 113.882 1.00 25.13 C +ATOM 9138 O TYR E 154 32.444 -3.746 113.020 1.00 26.54 O +ATOM 9139 CB TYR E 154 29.635 -3.852 114.483 1.00 23.88 C +ATOM 9140 CG TYR E 154 28.166 -4.058 114.225 1.00 20.21 C +ATOM 9141 CD1 TYR E 154 27.555 -3.533 113.088 1.00 17.95 C +ATOM 9142 CD2 TYR E 154 27.380 -4.784 115.107 1.00 24.01 C +ATOM 9143 CE1 TYR E 154 26.235 -3.740 112.823 1.00 21.80 C +ATOM 9144 CE2 TYR E 154 26.036 -4.983 114.850 1.00 23.07 C +ATOM 9145 CZ TYR E 154 25.473 -4.451 113.715 1.00 21.95 C +ATOM 9146 OH TYR E 154 24.151 -4.639 113.454 1.00 22.94 O +ATOM 9147 N PHE E 155 32.781 -4.978 114.865 1.00 25.42 N +ATOM 9148 CA PHE E 155 34.182 -4.584 115.024 1.00 26.68 C +ATOM 9149 C PHE E 155 35.062 -5.806 115.349 1.00 29.23 C +ATOM 9150 O PHE E 155 34.563 -6.779 115.912 1.00 31.22 O +ATOM 9151 CB PHE E 155 34.277 -3.485 116.104 1.00 24.52 C +ATOM 9152 CG PHE E 155 33.457 -2.270 115.769 1.00 25.47 C +ATOM 9153 CD1 PHE E 155 33.855 -1.413 114.748 1.00 22.09 C +ATOM 9154 CD2 PHE E 155 32.263 -2.015 116.417 1.00 23.65 C +ATOM 9155 CE1 PHE E 155 33.079 -0.318 114.396 1.00 22.69 C +ATOM 9156 CE2 PHE E 155 31.490 -0.915 116.073 1.00 24.90 C +ATOM 9157 CZ PHE E 155 31.892 -0.077 115.050 1.00 23.27 C +ATOM 9158 N GLU E 156 36.353 -5.735 115.005 1.00 31.82 N +ATOM 9159 CA AGLU E 156 37.314 -6.831 115.215 0.50 32.42 C +ATOM 9160 CA BGLU E 156 37.287 -6.854 115.244 0.50 32.94 C +ATOM 9161 C GLU E 156 38.015 -6.764 116.589 1.00 34.06 C +ATOM 9162 O GLU E 156 38.188 -7.786 117.275 1.00 35.27 O +ATOM 9163 CB AGLU E 156 38.373 -6.821 114.101 0.50 32.28 C +ATOM 9164 CB BGLU E 156 38.322 -7.003 114.119 0.50 32.55 C +ATOM 9165 CG AGLU E 156 37.806 -6.716 112.666 0.50 34.29 C +ATOM 9166 CG BGLU E 156 38.753 -8.465 113.918 0.50 33.23 C +ATOM 9167 CD AGLU E 156 38.888 -6.621 111.607 0.50 31.98 C +ATOM 9168 CD BGLU E 156 40.116 -8.640 113.253 0.50 35.48 C +ATOM 9169 OE1AGLU E 156 39.919 -7.305 111.749 0.50 36.51 O +ATOM 9170 OE1BGLU E 156 40.502 -7.785 112.435 0.50 35.48 O +ATOM 9171 OE2AGLU E 156 38.708 -5.871 110.631 0.50 30.56 O +ATOM 9172 OE2BGLU E 156 40.792 -9.661 113.544 0.50 33.27 O +ATOM 9173 N ALA E 157 38.458 -5.572 116.982 1.00 34.91 N +ATOM 9174 CA ALA E 157 39.147 -5.393 118.279 1.00 34.82 C +ATOM 9175 C ALA E 157 38.295 -5.876 119.451 1.00 35.84 C +ATOM 9176 O ALA E 157 37.114 -5.529 119.573 1.00 35.41 O +ATOM 9177 CB ALA E 157 39.549 -3.932 118.493 1.00 33.33 C +ATOM 9178 N GLU E 158 38.903 -6.677 120.320 1.00 37.95 N +ATOM 9179 CA GLU E 158 38.189 -7.224 121.476 1.00 41.18 C +ATOM 9180 C GLU E 158 38.134 -6.191 122.610 1.00 37.93 C +ATOM 9181 O GLU E 158 37.063 -5.912 123.139 1.00 38.17 O +ATOM 9182 CB GLU E 158 38.801 -8.563 121.902 1.00 42.90 C +ATOM 9183 CG GLU E 158 38.533 -9.648 120.839 1.00 52.68 C +ATOM 9184 CD GLU E 158 39.295 -10.949 121.073 1.00 52.37 C +ATOM 9185 OE1 GLU E 158 40.536 -10.986 120.838 1.00 64.91 O +ATOM 9186 OE2 GLU E 158 38.634 -11.941 121.474 1.00 68.35 O +ATOM 9187 N ILE E 159 39.282 -5.599 122.942 1.00 35.51 N +ATOM 9188 CA ILE E 159 39.330 -4.428 123.824 1.00 34.13 C +ATOM 9189 C ILE E 159 39.014 -3.166 122.992 1.00 32.54 C +ATOM 9190 O ILE E 159 39.641 -2.868 121.959 1.00 30.80 O +ATOM 9191 CB ILE E 159 40.685 -4.290 124.584 1.00 33.89 C +ATOM 9192 CG1 ILE E 159 40.985 -5.565 125.402 1.00 33.78 C +ATOM 9193 CG2 ILE E 159 40.646 -3.058 125.499 1.00 29.99 C +ATOM 9194 CD1 ILE E 159 42.439 -5.745 125.818 1.00 33.93 C +ATOM 9195 N ASP E 160 38.004 -2.451 123.445 1.00 31.35 N +ATOM 9196 CA ASP E 160 37.509 -1.294 122.743 1.00 32.35 C +ATOM 9197 C ASP E 160 36.695 -0.483 123.734 1.00 31.92 C +ATOM 9198 O ASP E 160 35.464 -0.470 123.658 1.00 32.41 O +ATOM 9199 CB ASP E 160 36.637 -1.769 121.573 1.00 31.61 C +ATOM 9200 CG ASP E 160 36.177 -0.643 120.688 1.00 34.49 C +ATOM 9201 OD1 ASP E 160 36.517 0.528 120.977 1.00 33.80 O +ATOM 9202 OD2 ASP E 160 35.471 -0.948 119.704 1.00 38.93 O +ATOM 9203 N ASP E 161 37.373 0.173 124.679 1.00 31.29 N +ATOM 9204 CA ASP E 161 36.668 0.945 125.719 1.00 30.70 C +ATOM 9205 C ASP E 161 36.647 2.461 125.498 1.00 29.54 C +ATOM 9206 O ASP E 161 35.723 3.136 125.947 1.00 30.35 O +ATOM 9207 CB ASP E 161 37.221 0.630 127.111 1.00 30.69 C +ATOM 9208 CG ASP E 161 36.910 -0.788 127.549 1.00 35.74 C +ATOM 9209 OD1 ASP E 161 35.889 -1.323 127.086 1.00 43.46 O +ATOM 9210 OD2 ASP E 161 37.672 -1.357 128.365 1.00 44.56 O +ATOM 9211 N HIS E 162 37.661 2.995 124.833 1.00 26.15 N +ATOM 9212 CA HIS E 162 37.769 4.423 124.686 1.00 23.90 C +ATOM 9213 C HIS E 162 38.694 4.751 123.527 1.00 22.47 C +ATOM 9214 O HIS E 162 39.853 4.317 123.499 1.00 20.34 O +ATOM 9215 CB HIS E 162 38.254 5.024 126.015 1.00 25.32 C +ATOM 9216 CG HIS E 162 38.645 6.459 125.944 1.00 21.51 C +ATOM 9217 ND1 HIS E 162 37.728 7.479 125.898 1.00 18.42 N +ATOM 9218 CD2 HIS E 162 39.867 7.045 125.952 1.00 20.52 C +ATOM 9219 CE1 HIS E 162 38.368 8.636 125.870 1.00 24.57 C +ATOM 9220 NE2 HIS E 162 39.667 8.401 125.904 1.00 19.73 N +ATOM 9221 N ALA E 163 38.163 5.525 122.572 1.00 21.15 N +ATOM 9222 CA ALA E 163 38.939 5.957 121.405 1.00 21.92 C +ATOM 9223 C ALA E 163 39.436 4.742 120.624 1.00 23.40 C +ATOM 9224 O ALA E 163 40.502 4.790 119.999 1.00 23.68 O +ATOM 9225 CB ALA E 163 40.128 6.847 121.832 1.00 19.35 C +ATOM 9226 N GLY E 164 38.667 3.652 120.684 1.00 23.81 N +ATOM 9227 CA GLY E 164 39.059 2.413 120.035 1.00 23.95 C +ATOM 9228 C GLY E 164 38.443 2.309 118.662 1.00 23.49 C +ATOM 9229 O GLY E 164 38.155 3.340 118.005 1.00 23.84 O +ATOM 9230 N GLU E 165 38.208 1.070 118.231 1.00 22.75 N +ATOM 9231 CA GLU E 165 37.753 0.802 116.862 1.00 22.70 C +ATOM 9232 C GLU E 165 36.376 1.366 116.570 1.00 22.23 C +ATOM 9233 O GLU E 165 36.159 1.956 115.507 1.00 22.75 O +ATOM 9234 CB GLU E 165 37.792 -0.699 116.550 1.00 22.86 C +ATOM 9235 CG GLU E 165 37.740 -1.007 115.051 1.00 25.60 C +ATOM 9236 CD GLU E 165 37.833 -2.490 114.744 1.00 25.76 C +ATOM 9237 OE1 GLU E 165 38.683 -3.200 115.344 1.00 25.99 O +ATOM 9238 OE2 GLU E 165 37.027 -2.942 113.915 1.00 26.85 O +ATOM 9239 N SER E 166 35.450 1.188 117.511 1.00 22.62 N +ATOM 9240 CA SER E 166 34.077 1.644 117.340 1.00 22.87 C +ATOM 9241 C SER E 166 33.967 3.177 117.276 1.00 22.91 C +ATOM 9242 O SER E 166 33.338 3.718 116.348 1.00 24.61 O +ATOM 9243 CB SER E 166 33.156 1.109 118.429 1.00 23.34 C +ATOM 9244 OG SER E 166 33.738 1.223 119.699 1.00 29.10 O +ATOM 9245 N GLU E 167 34.534 3.869 118.258 1.00 23.27 N +ATOM 9246 CA GLU E 167 34.502 5.349 118.258 1.00 22.91 C +ATOM 9247 C GLU E 167 35.200 5.924 117.009 1.00 21.00 C +ATOM 9248 O GLU E 167 34.702 6.859 116.370 1.00 20.70 O +ATOM 9249 CB GLU E 167 35.101 5.946 119.565 1.00 22.56 C +ATOM 9250 CG GLU E 167 34.060 6.194 120.670 1.00 22.77 C +ATOM 9251 CD GLU E 167 34.584 6.921 121.890 1.00 23.41 C +ATOM 9252 OE1 GLU E 167 35.756 6.735 122.315 1.00 21.03 O +ATOM 9253 OE2 GLU E 167 33.792 7.702 122.441 1.00 22.64 O +ATOM 9254 N THR E 168 36.335 5.349 116.652 1.00 20.17 N +ATOM 9255 CA THR E 168 37.069 5.827 115.503 1.00 20.31 C +ATOM 9256 C THR E 168 36.297 5.584 114.195 1.00 20.86 C +ATOM 9257 O THR E 168 36.247 6.462 113.331 1.00 21.91 O +ATOM 9258 CB THR E 168 38.447 5.173 115.415 1.00 20.08 C +ATOM 9259 OG1 THR E 168 39.150 5.370 116.639 1.00 18.78 O +ATOM 9260 CG2 THR E 168 39.232 5.781 114.334 1.00 18.43 C +ATOM 9261 N SER E 169 35.696 4.401 114.057 1.00 20.86 N +ATOM 9262 CA SER E 169 34.925 4.088 112.870 1.00 20.47 C +ATOM 9263 C SER E 169 33.728 5.010 112.762 1.00 20.95 C +ATOM 9264 O SER E 169 33.424 5.484 111.685 1.00 20.84 O +ATOM 9265 CB SER E 169 34.436 2.646 112.888 1.00 20.25 C +ATOM 9266 OG SER E 169 35.495 1.720 112.935 1.00 18.11 O +ATOM 9267 N VAL E 170 32.998 5.204 113.860 1.00 21.40 N +ATOM 9268 CA VAL E 170 31.827 6.082 113.825 1.00 20.00 C +ATOM 9269 C VAL E 170 32.252 7.533 113.511 1.00 20.35 C +ATOM 9270 O VAL E 170 31.604 8.215 112.715 1.00 22.42 O +ATOM 9271 CB VAL E 170 30.950 5.962 115.104 1.00 19.62 C +ATOM 9272 CG1 VAL E 170 29.678 6.891 115.016 1.00 15.25 C +ATOM 9273 CG2 VAL E 170 30.519 4.489 115.268 1.00 16.86 C +HETATM 9274 N MSE E 171 33.368 7.988 114.076 1.00 19.70 N +HETATM 9275 CA MSE E 171 33.864 9.323 113.734 1.00 20.48 C +HETATM 9276 C MSE E 171 34.243 9.465 112.258 1.00 21.08 C +HETATM 9277 O MSE E 171 33.967 10.501 111.643 1.00 21.07 O +HETATM 9278 CB MSE E 171 35.064 9.742 114.627 1.00 20.20 C +HETATM 9279 CG MSE E 171 35.511 11.205 114.385 1.00 21.20 C +HETATM 9280 SE MSE E 171 34.167 12.576 114.851 0.75 21.76 SE +HETATM 9281 CE MSE E 171 34.237 12.195 116.730 1.00 18.17 C +HETATM 9282 N MSE E 172 34.881 8.433 111.711 1.00 21.41 N +HETATM 9283 CA MSE E 172 35.279 8.400 110.302 1.00 21.84 C +HETATM 9284 C MSE E 172 34.092 8.500 109.359 1.00 22.12 C +HETATM 9285 O MSE E 172 34.160 9.166 108.347 1.00 23.45 O +HETATM 9286 CB MSE E 172 36.115 7.143 110.017 1.00 23.64 C +HETATM 9287 CG MSE E 172 37.539 7.209 110.575 1.00 23.98 C +HETATM 9288 SE MSE E 172 38.527 5.443 110.426 0.75 23.08 SE +HETATM 9289 CE MSE E 172 38.849 5.479 108.501 1.00 24.70 C +ATOM 9290 N HIS E 173 32.988 7.860 109.730 1.00 21.93 N +ATOM 9291 CA HIS E 173 31.733 7.975 109.026 1.00 21.33 C +ATOM 9292 C HIS E 173 31.131 9.372 109.048 1.00 22.81 C +ATOM 9293 O HIS E 173 30.785 9.928 108.028 1.00 22.67 O +ATOM 9294 CB HIS E 173 30.723 7.022 109.677 1.00 22.05 C +ATOM 9295 CG HIS E 173 29.339 7.182 109.152 1.00 21.90 C +ATOM 9296 ND1 HIS E 173 29.064 7.196 107.805 1.00 23.13 N +ATOM 9297 CD2 HIS E 173 28.155 7.356 109.786 1.00 23.69 C +ATOM 9298 CE1 HIS E 173 27.767 7.382 107.629 1.00 26.84 C +ATOM 9299 NE2 HIS E 173 27.191 7.482 108.818 1.00 22.93 N +ATOM 9300 N TYR E 174 30.927 9.923 110.243 1.00 22.61 N +ATOM 9301 CA TYR E 174 30.236 11.196 110.376 1.00 21.50 C +ATOM 9302 C TYR E 174 31.130 12.391 110.017 1.00 20.72 C +ATOM 9303 O TYR E 174 30.662 13.358 109.448 1.00 18.99 O +ATOM 9304 CB TYR E 174 29.682 11.370 111.789 1.00 22.00 C +ATOM 9305 CG TYR E 174 28.415 10.603 112.066 1.00 20.38 C +ATOM 9306 CD1 TYR E 174 27.289 10.783 111.277 1.00 22.24 C +ATOM 9307 CD2 TYR E 174 28.328 9.743 113.151 1.00 17.79 C +ATOM 9308 CE1 TYR E 174 26.112 10.091 111.545 1.00 20.64 C +ATOM 9309 CE2 TYR E 174 27.163 9.058 113.435 1.00 22.90 C +ATOM 9310 CZ TYR E 174 26.065 9.235 112.623 1.00 21.10 C +ATOM 9311 OH TYR E 174 24.941 8.555 112.893 1.00 16.88 O +ATOM 9312 N HIS E 175 32.402 12.330 110.397 1.00 21.89 N +ATOM 9313 CA HIS E 175 33.347 13.458 110.189 1.00 22.44 C +ATOM 9314 C HIS E 175 34.747 12.962 109.884 1.00 23.11 C +ATOM 9315 O HIS E 175 35.651 13.114 110.733 1.00 23.24 O +ATOM 9316 CB HIS E 175 33.422 14.362 111.445 1.00 22.88 C +ATOM 9317 CG HIS E 175 32.129 15.008 111.795 1.00 22.91 C +ATOM 9318 ND1 HIS E 175 31.723 16.195 111.227 1.00 24.14 N +ATOM 9319 CD2 HIS E 175 31.133 14.621 112.624 1.00 21.40 C +ATOM 9320 CE1 HIS E 175 30.526 16.511 111.691 1.00 28.42 C +ATOM 9321 NE2 HIS E 175 30.150 15.578 112.546 1.00 25.02 N +ATOM 9322 N PRO E 176 34.952 12.412 108.676 1.00 25.01 N +ATOM 9323 CA PRO E 176 36.282 11.937 108.273 1.00 26.17 C +ATOM 9324 C PRO E 176 37.362 13.016 108.340 1.00 25.86 C +ATOM 9325 O PRO E 176 38.541 12.708 108.539 1.00 26.91 O +ATOM 9326 CB PRO E 176 36.086 11.474 106.814 1.00 26.08 C +ATOM 9327 CG PRO E 176 34.823 12.059 106.357 1.00 26.19 C +ATOM 9328 CD PRO E 176 33.966 12.244 107.595 1.00 26.67 C +ATOM 9329 N GLU E 177 36.946 14.263 108.176 1.00 27.18 N +ATOM 9330 CA GLU E 177 37.864 15.419 108.224 1.00 27.61 C +ATOM 9331 C GLU E 177 38.445 15.687 109.630 1.00 27.24 C +ATOM 9332 O GLU E 177 39.416 16.421 109.764 1.00 26.50 O +ATOM 9333 CB GLU E 177 37.171 16.692 107.671 1.00 28.61 C +ATOM 9334 CG GLU E 177 36.131 17.461 108.593 1.00 28.83 C +ATOM 9335 CD GLU E 177 34.726 16.803 108.739 1.00 32.64 C +ATOM 9336 OE1 GLU E 177 34.411 15.786 108.097 1.00 26.32 O +ATOM 9337 OE2 GLU E 177 33.895 17.331 109.524 1.00 37.44 O +ATOM 9338 N LEU E 178 37.845 15.077 110.657 1.00 26.21 N +ATOM 9339 CA LEU E 178 38.219 15.298 112.053 1.00 25.49 C +ATOM 9340 C LEU E 178 39.154 14.226 112.619 1.00 26.81 C +ATOM 9341 O LEU E 178 39.641 14.347 113.749 1.00 28.46 O +ATOM 9342 CB LEU E 178 36.951 15.456 112.929 1.00 25.96 C +ATOM 9343 CG LEU E 178 36.200 16.800 112.863 1.00 23.84 C +ATOM 9344 CD1 LEU E 178 35.022 16.849 113.882 1.00 22.81 C +ATOM 9345 CD2 LEU E 178 37.124 18.010 113.053 1.00 26.15 C +ATOM 9346 N VAL E 179 39.449 13.196 111.832 1.00 26.90 N +ATOM 9347 CA VAL E 179 40.296 12.114 112.299 1.00 26.80 C +ATOM 9348 C VAL E 179 41.194 11.551 111.211 1.00 27.92 C +ATOM 9349 O VAL E 179 40.724 11.207 110.134 1.00 28.43 O +ATOM 9350 CB VAL E 179 39.451 10.976 112.985 1.00 27.45 C +ATOM 9351 CG1 VAL E 179 38.272 10.485 112.124 1.00 22.41 C +ATOM 9352 CG2 VAL E 179 40.351 9.844 113.397 1.00 26.18 C +ATOM 9353 N ASN E 180 42.498 11.498 111.507 1.00 29.21 N +ATOM 9354 CA AASN E 180 43.487 10.813 110.640 0.50 28.03 C +ATOM 9355 CA BASN E 180 43.484 10.851 110.665 0.50 28.14 C +ATOM 9356 C ASN E 180 43.953 9.588 111.386 1.00 27.53 C +ATOM 9357 O ASN E 180 44.745 9.673 112.312 1.00 26.90 O +ATOM 9358 CB AASN E 180 44.692 11.707 110.247 0.50 28.53 C +ATOM 9359 CB BASN E 180 44.653 11.821 110.405 0.50 28.69 C +ATOM 9360 CG AASN E 180 45.798 10.944 109.423 0.50 30.22 C +ATOM 9361 CG BASN E 180 44.218 13.091 109.671 0.50 30.46 C +ATOM 9362 OD1AASN E 180 45.534 9.951 108.724 0.50 30.63 O +ATOM 9363 OD1BASN E 180 43.397 13.040 108.758 0.50 37.04 O +ATOM 9364 ND2AASN E 180 47.037 11.441 109.507 0.50 28.65 N +ATOM 9365 ND2BASN E 180 44.775 14.232 110.064 0.50 30.97 N +ATOM 9366 N LEU E 181 43.444 8.428 110.965 1.00 27.10 N +ATOM 9367 CA LEU E 181 43.707 7.168 111.633 1.00 27.13 C +ATOM 9368 C LEU E 181 45.189 6.862 111.773 1.00 27.19 C +ATOM 9369 O LEU E 181 45.620 6.333 112.799 1.00 27.17 O +ATOM 9370 CB LEU E 181 42.970 6.042 110.926 1.00 27.68 C +ATOM 9371 CG LEU E 181 43.161 4.636 111.497 1.00 27.49 C +ATOM 9372 CD1 LEU E 181 42.706 4.509 112.983 1.00 25.96 C +ATOM 9373 CD2 LEU E 181 42.455 3.589 110.565 1.00 27.01 C +ATOM 9374 N ALA E 182 45.985 7.266 110.794 1.00 28.37 N +ATOM 9375 CA ALA E 182 47.455 7.064 110.821 1.00 29.07 C +ATOM 9376 C ALA E 182 48.159 7.666 112.062 1.00 30.17 C +ATOM 9377 O ALA E 182 49.280 7.283 112.405 1.00 30.08 O +ATOM 9378 CB ALA E 182 48.073 7.665 109.550 1.00 29.19 C +ATOM 9379 N GLU E 183 47.504 8.631 112.702 1.00 30.62 N +ATOM 9380 CA GLU E 183 48.037 9.289 113.886 1.00 31.41 C +ATOM 9381 C GLU E 183 47.773 8.514 115.181 1.00 27.97 C +ATOM 9382 O GLU E 183 48.298 8.873 116.226 1.00 27.51 O +ATOM 9383 CB GLU E 183 47.443 10.698 113.996 1.00 31.45 C +ATOM 9384 CG GLU E 183 47.786 11.585 112.794 1.00 36.98 C +ATOM 9385 CD GLU E 183 47.054 12.946 112.772 1.00 37.66 C +ATOM 9386 OE1 GLU E 183 46.343 13.280 113.756 1.00 41.35 O +ATOM 9387 OE2 GLU E 183 47.188 13.666 111.744 1.00 39.92 O +ATOM 9388 N ALA E 184 46.957 7.466 115.120 1.00 26.71 N +ATOM 9389 CA ALA E 184 46.553 6.762 116.334 1.00 25.46 C +ATOM 9390 C ALA E 184 47.715 5.987 116.924 1.00 26.41 C +ATOM 9391 O ALA E 184 48.508 5.417 116.193 1.00 27.51 O +ATOM 9392 CB ALA E 184 45.398 5.835 116.058 1.00 22.57 C +ATOM 9393 N GLY E 185 47.803 5.963 118.248 1.00 26.03 N +ATOM 9394 CA GLY E 185 48.595 4.962 118.946 1.00 24.79 C +ATOM 9395 C GLY E 185 47.814 3.655 119.104 1.00 25.14 C +ATOM 9396 O GLY E 185 46.661 3.561 118.707 1.00 24.47 O +ATOM 9397 N ASP E 186 48.466 2.650 119.680 1.00 26.18 N +ATOM 9398 CA ASP E 186 47.876 1.316 119.886 1.00 27.41 C +ATOM 9399 C ASP E 186 46.823 1.234 120.961 1.00 27.28 C +ATOM 9400 O ASP E 186 46.086 0.276 121.022 1.00 27.20 O +ATOM 9401 CB ASP E 186 48.973 0.310 120.235 1.00 29.40 C +ATOM 9402 CG ASP E 186 49.807 -0.079 119.028 1.00 33.65 C +ATOM 9403 OD1 ASP E 186 49.537 0.445 117.916 1.00 39.59 O +ATOM 9404 OD2 ASP E 186 50.730 -0.909 119.190 1.00 43.74 O +ATOM 9405 N GLY E 187 46.760 2.227 121.835 1.00 27.40 N +ATOM 9406 CA GLY E 187 45.807 2.199 122.925 1.00 26.84 C +ATOM 9407 C GLY E 187 46.004 1.052 123.900 1.00 26.94 C +ATOM 9408 O GLY E 187 45.007 0.525 124.410 1.00 25.95 O +ATOM 9409 N GLU E 188 47.265 0.680 124.170 1.00 27.95 N +ATOM 9410 CA GLU E 188 47.582 -0.375 125.137 1.00 30.36 C +ATOM 9411 C GLU E 188 47.095 0.027 126.524 1.00 30.59 C +ATOM 9412 O GLU E 188 47.202 1.194 126.915 1.00 30.18 O +ATOM 9413 CB GLU E 188 49.087 -0.702 125.172 1.00 30.53 C +ATOM 9414 N SER E 189 46.534 -0.938 127.249 1.00 31.55 N +ATOM 9415 CA SER E 189 45.994 -0.691 128.576 1.00 32.66 C +ATOM 9416 C SER E 189 46.531 -1.716 129.586 1.00 33.75 C +ATOM 9417 O SER E 189 46.849 -2.840 129.220 1.00 34.57 O +ATOM 9418 CB SER E 189 44.459 -0.666 128.552 1.00 32.31 C +ATOM 9419 OG SER E 189 43.902 -1.916 128.139 1.00 38.69 O +ATOM 9420 N LYS E 190 46.673 -1.295 130.844 1.00 32.54 N +ATOM 9421 CA LYS E 190 47.206 -2.132 131.901 1.00 34.31 C +ATOM 9422 C LYS E 190 46.176 -2.367 132.996 1.00 31.76 C +ATOM 9423 O LYS E 190 45.458 -1.454 133.375 1.00 30.70 O +ATOM 9424 CB LYS E 190 48.465 -1.499 132.486 1.00 34.88 C +ATOM 9425 CG LYS E 190 49.560 -1.288 131.425 1.00 41.94 C +ATOM 9426 CD LYS E 190 50.999 -1.372 131.993 1.00 48.33 C +ATOM 9427 CE LYS E 190 51.250 -0.542 133.269 1.00 53.86 C +ATOM 9428 NZ LYS E 190 52.587 -0.918 133.868 1.00 54.44 N +ATOM 9429 N PRO E 191 46.089 -3.607 133.501 1.00 30.70 N +ATOM 9430 CA PRO E 191 45.119 -3.921 134.555 1.00 29.55 C +ATOM 9431 C PRO E 191 45.557 -3.484 135.968 1.00 27.23 C +ATOM 9432 O PRO E 191 46.701 -3.095 136.192 1.00 26.27 O +ATOM 9433 CB PRO E 191 45.018 -5.450 134.474 1.00 30.64 C +ATOM 9434 CG PRO E 191 46.359 -5.871 134.044 1.00 29.97 C +ATOM 9435 CD PRO E 191 46.888 -4.788 133.137 1.00 28.86 C +ATOM 9436 N PHE E 192 44.628 -3.529 136.918 1.00 26.59 N +ATOM 9437 CA PHE E 192 44.958 -3.290 138.317 1.00 25.58 C +ATOM 9438 C PHE E 192 45.846 -4.426 138.849 1.00 26.00 C +ATOM 9439 O PHE E 192 45.826 -5.553 138.336 1.00 25.48 O +ATOM 9440 CB PHE E 192 43.706 -3.262 139.211 1.00 24.80 C +ATOM 9441 CG PHE E 192 42.724 -2.171 138.891 1.00 23.25 C +ATOM 9442 CD1 PHE E 192 43.041 -0.832 139.096 1.00 19.44 C +ATOM 9443 CD2 PHE E 192 41.482 -2.480 138.428 1.00 21.21 C +ATOM 9444 CE1 PHE E 192 42.126 0.154 138.830 1.00 22.21 C +ATOM 9445 CE2 PHE E 192 40.540 -1.473 138.144 1.00 23.63 C +ATOM 9446 CZ PHE E 192 40.856 -0.174 138.352 1.00 20.59 C +ATOM 9447 N ALA E 193 46.567 -4.116 139.928 1.00 26.08 N +ATOM 9448 CA ALA E 193 47.350 -5.089 140.690 1.00 27.11 C +ATOM 9449 C ALA E 193 46.501 -5.896 141.676 1.00 27.98 C +ATOM 9450 O ALA E 193 46.986 -6.857 142.263 1.00 29.60 O +ATOM 9451 CB ALA E 193 48.457 -4.381 141.436 1.00 25.23 C +ATOM 9452 N ILE E 194 45.244 -5.508 141.859 1.00 27.89 N +ATOM 9453 CA ILE E 194 44.331 -6.190 142.774 1.00 25.21 C +ATOM 9454 C ILE E 194 43.431 -7.048 141.904 1.00 26.31 C +ATOM 9455 O ILE E 194 42.571 -6.521 141.229 1.00 26.57 O +ATOM 9456 CB ILE E 194 43.508 -5.162 143.628 1.00 25.56 C +ATOM 9457 CG1 ILE E 194 44.444 -4.363 144.543 1.00 19.80 C +ATOM 9458 CG2 ILE E 194 42.397 -5.868 144.421 1.00 23.06 C +ATOM 9459 CD1 ILE E 194 43.829 -3.139 145.195 1.00 20.55 C +ATOM 9460 N ALA E 195 43.666 -8.365 141.882 1.00 25.76 N +ATOM 9461 CA ALA E 195 43.022 -9.244 140.907 1.00 25.02 C +ATOM 9462 C ALA E 195 41.509 -9.158 140.953 1.00 24.48 C +ATOM 9463 O ALA E 195 40.863 -9.180 139.926 1.00 25.15 O +ATOM 9464 CB ALA E 195 43.452 -10.701 141.128 1.00 25.29 C +ATOM 9465 N SER E 196 40.962 -9.128 142.163 1.00 24.14 N +ATOM 9466 CA SER E 196 39.500 -9.047 142.373 1.00 24.07 C +ATOM 9467 C SER E 196 38.846 -7.868 141.639 1.00 23.35 C +ATOM 9468 O SER E 196 37.720 -7.998 141.171 1.00 22.97 O +ATOM 9469 CB SER E 196 39.184 -8.971 143.879 1.00 25.40 C +ATOM 9470 OG SER E 196 39.554 -10.160 144.584 1.00 24.61 O +ATOM 9471 N LEU E 197 39.547 -6.732 141.539 1.00 23.18 N +ATOM 9472 CA LEU E 197 39.067 -5.572 140.750 1.00 24.11 C +ATOM 9473 C LEU E 197 39.023 -5.832 139.225 1.00 25.04 C +ATOM 9474 O LEU E 197 38.125 -5.371 138.535 1.00 25.75 O +ATOM 9475 CB LEU E 197 39.929 -4.338 141.041 1.00 23.35 C +ATOM 9476 CG LEU E 197 39.935 -3.798 142.474 1.00 22.90 C +ATOM 9477 CD1 LEU E 197 40.637 -2.436 142.554 1.00 18.57 C +ATOM 9478 CD2 LEU E 197 38.510 -3.720 143.045 1.00 18.53 C +ATOM 9479 N ASN E 198 39.998 -6.575 138.709 1.00 26.74 N +ATOM 9480 CA ASN E 198 39.998 -7.004 137.315 1.00 27.26 C +ATOM 9481 C ASN E 198 38.895 -8.034 137.057 1.00 27.68 C +ATOM 9482 O ASN E 198 38.343 -8.061 135.961 1.00 27.44 O +ATOM 9483 CB ASN E 198 41.336 -7.619 136.915 1.00 26.93 C +ATOM 9484 CG ASN E 198 42.513 -6.701 137.140 1.00 24.42 C +ATOM 9485 OD1 ASN E 198 42.473 -5.490 136.861 1.00 22.28 O +ATOM 9486 ND2 ASN E 198 43.595 -7.285 137.613 1.00 23.61 N +ATOM 9487 N GLU E 199 38.579 -8.857 138.070 1.00 28.41 N +ATOM 9488 CA GLU E 199 37.469 -9.841 138.028 1.00 30.85 C +ATOM 9489 C GLU E 199 36.092 -9.202 138.294 1.00 29.93 C +ATOM 9490 O GLU E 199 35.066 -9.876 138.259 1.00 29.51 O +ATOM 9491 CB GLU E 199 37.710 -10.979 139.036 1.00 30.52 C +ATOM 9492 CG GLU E 199 39.022 -11.808 138.816 1.00 36.77 C +ATOM 9493 CD GLU E 199 39.657 -12.411 140.134 1.00 39.31 C +ATOM 9494 OE1 GLU E 199 38.991 -12.504 141.199 1.00 45.89 O +ATOM 9495 OE2 GLU E 199 40.858 -12.792 140.085 1.00 54.70 O +ATOM 9496 N LYS E 200 36.088 -7.897 138.551 1.00 30.12 N +ATOM 9497 CA LYS E 200 34.886 -7.094 138.755 1.00 29.98 C +ATOM 9498 C LYS E 200 34.091 -7.496 139.991 1.00 27.45 C +ATOM 9499 O LYS E 200 32.857 -7.342 140.022 1.00 27.57 O +ATOM 9500 CB LYS E 200 34.021 -7.077 137.481 1.00 31.25 C +ATOM 9501 CG LYS E 200 34.767 -6.537 136.263 1.00 34.45 C +ATOM 9502 CD LYS E 200 33.802 -6.197 135.116 1.00 38.45 C +ATOM 9503 CE LYS E 200 34.409 -5.178 134.116 1.00 48.43 C +ATOM 9504 NZ LYS E 200 35.796 -5.535 133.702 1.00 53.19 N +ATOM 9505 N VAL E 201 34.788 -7.969 141.024 1.00 24.82 N +ATOM 9506 CA VAL E 201 34.147 -8.211 142.334 1.00 24.27 C +ATOM 9507 C VAL E 201 33.637 -6.845 142.927 1.00 24.01 C +ATOM 9508 O VAL E 201 32.546 -6.746 143.503 1.00 23.01 O +ATOM 9509 CB VAL E 201 35.117 -8.991 143.301 1.00 24.16 C +ATOM 9510 CG1 VAL E 201 34.545 -9.154 144.721 1.00 19.97 C +ATOM 9511 CG2 VAL E 201 35.422 -10.379 142.732 1.00 18.80 C +ATOM 9512 N ALA E 202 34.441 -5.809 142.717 1.00 22.28 N +ATOM 9513 CA ALA E 202 34.167 -4.460 143.122 1.00 21.25 C +ATOM 9514 C ALA E 202 34.740 -3.534 142.028 1.00 22.15 C +ATOM 9515 O ALA E 202 35.532 -3.971 141.175 1.00 22.34 O +ATOM 9516 CB ALA E 202 34.824 -4.172 144.515 1.00 16.11 C +ATOM 9517 N TRP E 203 34.309 -2.277 142.049 1.00 22.19 N +ATOM 9518 CA TRP E 203 34.687 -1.274 141.068 1.00 20.70 C +ATOM 9519 C TRP E 203 35.543 -0.197 141.712 1.00 20.28 C +ATOM 9520 O TRP E 203 35.267 0.276 142.834 1.00 18.70 O +ATOM 9521 CB TRP E 203 33.437 -0.635 140.452 1.00 20.91 C +ATOM 9522 CG TRP E 203 33.711 0.484 139.482 1.00 21.88 C +ATOM 9523 CD1 TRP E 203 33.863 0.380 138.131 1.00 23.31 C +ATOM 9524 CD2 TRP E 203 33.796 1.891 139.781 1.00 21.08 C +ATOM 9525 NE1 TRP E 203 34.078 1.604 137.582 1.00 20.66 N +ATOM 9526 CE2 TRP E 203 34.049 2.554 138.562 1.00 21.96 C +ATOM 9527 CE3 TRP E 203 33.697 2.648 140.963 1.00 18.60 C +ATOM 9528 CZ2 TRP E 203 34.197 3.937 138.480 1.00 23.56 C +ATOM 9529 CZ3 TRP E 203 33.854 4.013 140.883 1.00 23.24 C +ATOM 9530 CH2 TRP E 203 34.096 4.651 139.653 1.00 22.36 C +ATOM 9531 N VAL E 204 36.583 0.174 140.983 1.00 19.68 N +ATOM 9532 CA VAL E 204 37.449 1.318 141.266 1.00 20.42 C +ATOM 9533 C VAL E 204 37.707 1.928 139.890 1.00 21.87 C +ATOM 9534 O VAL E 204 37.914 1.170 138.932 1.00 21.31 O +ATOM 9535 CB VAL E 204 38.796 0.854 141.858 1.00 19.91 C +ATOM 9536 CG1 VAL E 204 39.885 1.932 141.777 1.00 19.86 C +ATOM 9537 CG2 VAL E 204 38.609 0.378 143.289 1.00 22.10 C +ATOM 9538 N PRO E 205 37.739 3.282 139.787 1.00 21.58 N +ATOM 9539 CA PRO E 205 38.013 3.860 138.472 1.00 22.25 C +ATOM 9540 C PRO E 205 39.444 3.560 138.043 1.00 22.71 C +ATOM 9541 O PRO E 205 40.356 3.590 138.872 1.00 22.95 O +ATOM 9542 CB PRO E 205 37.810 5.368 138.687 1.00 22.41 C +ATOM 9543 CG PRO E 205 38.017 5.600 140.149 1.00 23.23 C +ATOM 9544 CD PRO E 205 37.587 4.318 140.834 1.00 20.19 C +ATOM 9545 N ARG E 206 39.611 3.254 136.764 1.00 23.49 N +ATOM 9546 CA ARG E 206 40.911 3.129 136.127 1.00 25.38 C +ATOM 9547 C ARG E 206 41.693 4.456 136.255 1.00 22.43 C +ATOM 9548 O ARG E 206 41.156 5.522 136.029 1.00 21.52 O +ATOM 9549 CB ARG E 206 40.708 2.762 134.651 1.00 24.97 C +ATOM 9550 CG ARG E 206 41.998 2.491 133.876 1.00 30.83 C +ATOM 9551 CD ARG E 206 41.793 2.492 132.302 1.00 33.35 C +ATOM 9552 NE ARG E 206 40.949 1.399 131.776 1.00 42.15 N +ATOM 9553 CZ ARG E 206 41.334 0.121 131.629 1.00 47.96 C +ATOM 9554 NH1 ARG E 206 42.552 -0.296 131.986 1.00 45.70 N +ATOM 9555 NH2 ARG E 206 40.480 -0.763 131.124 1.00 46.17 N +ATOM 9556 N HIS E 207 42.955 4.370 136.640 1.00 22.41 N +ATOM 9557 CA HIS E 207 43.813 5.525 136.714 1.00 22.41 C +ATOM 9558 C HIS E 207 44.525 5.619 135.357 1.00 24.30 C +ATOM 9559 O HIS E 207 45.255 4.719 134.990 1.00 23.39 O +ATOM 9560 CB HIS E 207 44.808 5.375 137.871 1.00 20.71 C +ATOM 9561 CG HIS E 207 44.184 5.498 139.227 1.00 20.50 C +ATOM 9562 ND1 HIS E 207 44.776 6.178 140.257 1.00 22.37 N +ATOM 9563 CD2 HIS E 207 43.000 5.047 139.712 1.00 20.35 C +ATOM 9564 CE1 HIS E 207 44.002 6.136 141.324 1.00 20.09 C +ATOM 9565 NE2 HIS E 207 42.918 5.446 141.023 1.00 22.45 N +ATOM 9566 N TRP E 208 44.292 6.712 134.633 1.00 24.12 N +ATOM 9567 CA TRP E 208 44.733 6.855 133.245 1.00 24.36 C +ATOM 9568 C TRP E 208 46.243 6.945 133.128 1.00 25.51 C +ATOM 9569 O TRP E 208 46.809 6.476 132.155 1.00 25.81 O +ATOM 9570 CB TRP E 208 44.070 8.082 132.577 1.00 23.50 C +ATOM 9571 CG TRP E 208 43.200 7.763 131.377 1.00 24.33 C +ATOM 9572 CD1 TRP E 208 43.455 8.089 130.062 1.00 25.45 C +ATOM 9573 CD2 TRP E 208 41.959 7.065 131.373 1.00 25.55 C +ATOM 9574 NE1 TRP E 208 42.441 7.646 129.253 1.00 24.27 N +ATOM 9575 CE2 TRP E 208 41.516 7.000 130.022 1.00 25.74 C +ATOM 9576 CE3 TRP E 208 41.163 6.501 132.371 1.00 25.22 C +ATOM 9577 CZ2 TRP E 208 40.343 6.376 129.653 1.00 23.61 C +ATOM 9578 CZ3 TRP E 208 39.987 5.878 131.999 1.00 26.37 C +ATOM 9579 CH2 TRP E 208 39.579 5.835 130.649 1.00 30.19 C +ATOM 9580 N ASP E 209 46.880 7.560 134.111 1.00 25.84 N +ATOM 9581 CA ASP E 209 48.334 7.689 134.144 1.00 28.12 C +ATOM 9582 C ASP E 209 49.036 6.350 134.390 1.00 29.26 C +ATOM 9583 O ASP E 209 50.150 6.184 133.948 1.00 29.67 O +ATOM 9584 CB ASP E 209 48.787 8.707 135.186 1.00 28.56 C +ATOM 9585 CG ASP E 209 48.339 8.353 136.591 1.00 31.89 C +ATOM 9586 OD1 ASP E 209 47.170 7.921 136.762 1.00 30.26 O +ATOM 9587 OD2 ASP E 209 49.151 8.520 137.520 1.00 34.29 O +ATOM 9588 N LYS E 210 48.388 5.393 135.056 1.00 29.59 N +ATOM 9589 CA LYS E 210 48.968 4.058 135.239 1.00 29.76 C +ATOM 9590 C LYS E 210 48.522 3.036 134.175 1.00 29.97 C +ATOM 9591 O LYS E 210 49.249 2.084 133.854 1.00 31.09 O +ATOM 9592 CB LYS E 210 48.600 3.510 136.609 1.00 30.31 C +ATOM 9593 CG LYS E 210 48.787 4.477 137.768 1.00 32.12 C +ATOM 9594 CD LYS E 210 50.230 4.827 138.028 1.00 39.16 C +ATOM 9595 CE LYS E 210 50.427 5.292 139.484 1.00 43.77 C +ATOM 9596 NZ LYS E 210 49.268 6.047 140.009 1.00 50.58 N +ATOM 9597 N ALA E 211 47.322 3.235 133.635 1.00 29.17 N +ATOM 9598 CA ALA E 211 46.636 2.210 132.833 1.00 29.08 C +ATOM 9599 C ALA E 211 46.752 2.408 131.314 1.00 30.24 C +ATOM 9600 O ALA E 211 46.484 1.499 130.573 1.00 31.81 O +ATOM 9601 CB ALA E 211 45.181 2.145 133.214 1.00 26.60 C +ATOM 9602 N THR E 212 47.102 3.598 130.855 1.00 30.34 N +ATOM 9603 CA THR E 212 47.127 3.886 129.430 1.00 29.75 C +ATOM 9604 C THR E 212 48.438 4.607 129.109 1.00 32.41 C +ATOM 9605 O THR E 212 49.122 5.068 130.019 1.00 34.88 O +ATOM 9606 CB THR E 212 45.926 4.759 129.013 1.00 28.56 C +ATOM 9607 OG1 THR E 212 46.187 6.104 129.405 1.00 27.03 O +ATOM 9608 CG2 THR E 212 44.618 4.283 129.681 1.00 21.48 C +ATOM 9609 N VAL E 213 48.775 4.667 127.818 1.00 32.73 N +ATOM 9610 CA VAL E 213 50.013 5.278 127.334 1.00 33.29 C +ATOM 9611 C VAL E 213 49.676 6.523 126.518 1.00 31.30 C +ATOM 9612 O VAL E 213 50.191 7.609 126.786 1.00 31.87 O +ATOM 9613 CB VAL E 213 50.776 4.275 126.455 1.00 35.03 C +ATOM 9614 CG1 VAL E 213 52.080 4.895 125.918 1.00 37.73 C +ATOM 9615 CG2 VAL E 213 51.035 2.987 127.233 1.00 35.81 C +ATOM 9616 N ASP E 214 48.769 6.362 125.560 1.00 29.11 N +ATOM 9617 CA ASP E 214 48.360 7.440 124.644 1.00 29.20 C +ATOM 9618 C ASP E 214 46.960 8.059 124.970 1.00 27.43 C +ATOM 9619 O ASP E 214 46.475 8.928 124.256 1.00 25.71 O +ATOM 9620 CB ASP E 214 48.454 6.938 123.176 1.00 30.71 C +ATOM 9621 CG ASP E 214 47.680 5.627 122.919 1.00 33.66 C +ATOM 9622 OD1 ASP E 214 46.562 5.467 123.465 1.00 32.46 O +ATOM 9623 OD2 ASP E 214 48.194 4.765 122.151 1.00 31.31 O +ATOM 9624 N SER E 215 46.374 7.601 126.080 1.00 26.07 N +ATOM 9625 CA SER E 215 45.046 7.964 126.576 1.00 25.37 C +ATOM 9626 C SER E 215 43.912 7.137 125.958 1.00 25.47 C +ATOM 9627 O SER E 215 42.782 7.269 126.383 1.00 26.66 O +ATOM 9628 CB SER E 215 44.739 9.475 126.448 1.00 22.29 C +ATOM 9629 OG SER E 215 44.170 9.785 125.193 1.00 19.52 O +ATOM 9630 N GLY E 216 44.196 6.321 124.947 1.00 23.68 N +ATOM 9631 CA GLY E 216 43.184 5.410 124.402 1.00 22.76 C +ATOM 9632 C GLY E 216 43.127 4.100 125.178 1.00 22.50 C +ATOM 9633 O GLY E 216 44.101 3.712 125.831 1.00 21.81 O +ATOM 9634 N VAL E 217 41.965 3.448 125.152 1.00 23.12 N +ATOM 9635 CA VAL E 217 41.829 2.086 125.664 1.00 23.84 C +ATOM 9636 C VAL E 217 41.275 1.227 124.528 1.00 24.53 C +ATOM 9637 O VAL E 217 40.054 1.195 124.261 1.00 23.88 O +ATOM 9638 CB VAL E 217 40.921 1.977 126.898 1.00 23.12 C +ATOM 9639 CG1 VAL E 217 41.040 0.574 127.489 1.00 20.73 C +ATOM 9640 CG2 VAL E 217 41.288 3.009 127.935 1.00 23.12 C +ATOM 9641 N GLY E 218 42.187 0.558 123.836 1.00 24.92 N +ATOM 9642 CA GLY E 218 41.821 -0.276 122.725 1.00 25.86 C +ATOM 9643 C GLY E 218 42.477 0.135 121.427 1.00 26.53 C +ATOM 9644 O GLY E 218 42.629 1.328 121.145 1.00 26.27 O +ATOM 9645 N ASN E 219 42.851 -0.854 120.621 1.00 27.15 N +ATOM 9646 CA ASN E 219 43.518 -0.568 119.350 1.00 26.81 C +ATOM 9647 C ASN E 219 42.504 -0.156 118.271 1.00 24.50 C +ATOM 9648 O ASN E 219 41.609 -0.927 117.945 1.00 25.33 O +ATOM 9649 CB ASN E 219 44.359 -1.772 118.890 1.00 27.43 C +ATOM 9650 CG ASN E 219 45.367 -1.397 117.826 1.00 28.20 C +ATOM 9651 OD1 ASN E 219 45.146 -0.474 117.056 1.00 28.76 O +ATOM 9652 ND2 ASN E 219 46.479 -2.110 117.781 1.00 24.76 N +ATOM 9653 N PRO E 220 42.633 1.083 117.738 1.00 23.60 N +ATOM 9654 CA PRO E 220 41.693 1.557 116.734 1.00 25.00 C +ATOM 9655 C PRO E 220 42.044 1.240 115.256 1.00 25.93 C +ATOM 9656 O PRO E 220 41.306 1.675 114.366 1.00 24.16 O +ATOM 9657 CB PRO E 220 41.750 3.077 116.946 1.00 24.99 C +ATOM 9658 CG PRO E 220 43.171 3.358 117.254 1.00 21.90 C +ATOM 9659 CD PRO E 220 43.618 2.136 118.092 1.00 23.43 C +ATOM 9660 N LYS E 221 43.155 0.517 115.016 1.00 27.57 N +ATOM 9661 CA LYS E 221 43.785 0.376 113.667 1.00 29.03 C +ATOM 9662 C LYS E 221 42.915 -0.194 112.559 1.00 27.16 C +ATOM 9663 O LYS E 221 43.125 0.095 111.382 1.00 27.42 O +ATOM 9664 CB LYS E 221 45.095 -0.448 113.737 1.00 32.37 C +ATOM 9665 CG LYS E 221 44.926 -1.979 113.927 1.00 36.70 C +ATOM 9666 CD LYS E 221 46.253 -2.681 114.321 1.00 35.95 C +ATOM 9667 CE LYS E 221 46.036 -4.164 114.666 1.00 43.07 C +ATOM 9668 NZ LYS E 221 47.330 -4.898 114.883 1.00 46.39 N +ATOM 9669 N LYS E 222 41.956 -1.033 112.919 1.00 27.08 N +ATOM 9670 CA LYS E 222 41.059 -1.638 111.923 1.00 26.65 C +ATOM 9671 C LYS E 222 39.791 -0.834 111.704 1.00 25.02 C +ATOM 9672 O LYS E 222 38.876 -1.303 111.036 1.00 24.59 O +ATOM 9673 CB LYS E 222 40.727 -3.075 112.337 1.00 27.60 C +ATOM 9674 CG LYS E 222 42.014 -3.818 112.733 1.00 34.65 C +ATOM 9675 CD LYS E 222 42.001 -5.272 112.413 1.00 44.24 C +ATOM 9676 CE LYS E 222 43.413 -5.868 112.308 1.00 48.50 C +ATOM 9677 NZ LYS E 222 43.556 -6.553 110.990 1.00 51.98 N +ATOM 9678 N ALA E 223 39.722 0.371 112.275 1.00 24.38 N +ATOM 9679 CA ALA E 223 38.539 1.228 112.127 1.00 22.82 C +ATOM 9680 C ALA E 223 38.396 1.667 110.689 1.00 22.95 C +ATOM 9681 O ALA E 223 39.393 1.992 110.043 1.00 22.37 O +ATOM 9682 CB ALA E 223 38.617 2.466 113.020 1.00 20.95 C +ATOM 9683 N THR E 224 37.153 1.672 110.202 1.00 22.14 N +ATOM 9684 CA THR E 224 36.828 2.273 108.899 1.00 22.47 C +ATOM 9685 C THR E 224 35.519 3.025 108.956 1.00 22.05 C +ATOM 9686 O THR E 224 34.648 2.733 109.778 1.00 21.80 O +ATOM 9687 CB THR E 224 36.651 1.198 107.775 1.00 24.24 C +ATOM 9688 OG1 THR E 224 35.438 0.469 107.994 1.00 22.51 O +ATOM 9689 CG2 THR E 224 37.851 0.250 107.735 1.00 22.46 C +ATOM 9690 N ALA E 225 35.352 3.941 108.018 1.00 21.71 N +ATOM 9691 CA ALA E 225 34.104 4.669 107.857 1.00 21.78 C +ATOM 9692 C ALA E 225 32.919 3.731 107.602 1.00 24.21 C +ATOM 9693 O ALA E 225 31.823 3.954 108.124 1.00 24.01 O +ATOM 9694 CB ALA E 225 34.225 5.698 106.717 1.00 19.87 C +ATOM 9695 N GLU E 226 33.133 2.708 106.769 1.00 26.08 N +ATOM 9696 CA GLU E 226 32.071 1.771 106.416 1.00 26.51 C +ATOM 9697 C GLU E 226 31.595 1.008 107.650 1.00 24.24 C +ATOM 9698 O GLU E 226 30.395 0.786 107.789 1.00 23.38 O +ATOM 9699 CB GLU E 226 32.565 0.792 105.333 1.00 28.74 C +ATOM 9700 CG GLU E 226 31.477 -0.069 104.675 1.00 38.06 C +ATOM 9701 CD GLU E 226 31.175 -1.389 105.441 1.00 54.07 C +ATOM 9702 OE1 GLU E 226 32.023 -1.829 106.266 1.00 51.95 O +ATOM 9703 OE2 GLU E 226 30.088 -1.993 105.206 1.00 54.71 O +ATOM 9704 N LYS E 227 32.532 0.586 108.508 1.00 22.98 N +ATOM 9705 CA LYS E 227 32.192 -0.086 109.768 1.00 23.79 C +ATOM 9706 C LYS E 227 31.330 0.828 110.637 1.00 23.60 C +ATOM 9707 O LYS E 227 30.371 0.390 111.268 1.00 23.57 O +ATOM 9708 CB LYS E 227 33.456 -0.448 110.537 1.00 23.63 C +ATOM 9709 CG LYS E 227 34.154 -1.710 110.081 1.00 24.02 C +ATOM 9710 CD LYS E 227 35.431 -1.924 110.886 1.00 24.42 C +ATOM 9711 CE LYS E 227 36.110 -3.231 110.506 1.00 28.71 C +ATOM 9712 NZ LYS E 227 37.382 -3.536 111.254 1.00 26.78 N +ATOM 9713 N GLY E 228 31.690 2.114 110.672 1.00 23.53 N +ATOM 9714 CA GLY E 228 30.924 3.106 111.430 1.00 22.83 C +ATOM 9715 C GLY E 228 29.529 3.309 110.897 1.00 23.85 C +ATOM 9716 O GLY E 228 28.540 3.387 111.667 1.00 23.73 O +ATOM 9717 N GLU E 229 29.434 3.379 109.572 1.00 24.64 N +ATOM 9718 CA GLU E 229 28.146 3.539 108.899 1.00 26.73 C +ATOM 9719 C GLU E 229 27.186 2.391 109.194 1.00 25.25 C +ATOM 9720 O GLU E 229 25.981 2.588 109.462 1.00 24.80 O +ATOM 9721 CB GLU E 229 28.386 3.632 107.382 1.00 26.41 C +ATOM 9722 CG GLU E 229 27.122 3.921 106.559 1.00 32.10 C +ATOM 9723 CD GLU E 229 27.417 4.198 105.081 1.00 36.69 C +ATOM 9724 OE1 GLU E 229 28.453 3.695 104.573 1.00 48.04 O +ATOM 9725 OE2 GLU E 229 26.616 4.930 104.441 1.00 49.73 O +ATOM 9726 N ARG E 230 27.725 1.191 109.138 1.00 25.18 N +ATOM 9727 CA ARG E 230 26.942 -0.006 109.369 1.00 26.55 C +ATOM 9728 C ARG E 230 26.470 -0.150 110.826 1.00 24.92 C +ATOM 9729 O ARG E 230 25.334 -0.567 111.061 1.00 25.40 O +ATOM 9730 CB ARG E 230 27.774 -1.206 108.989 1.00 27.67 C +ATOM 9731 CG ARG E 230 26.955 -2.453 108.846 1.00 37.66 C +ATOM 9732 CD ARG E 230 27.774 -3.566 108.253 1.00 46.52 C +ATOM 9733 NE ARG E 230 28.388 -4.425 109.273 1.00 54.99 N +ATOM 9734 CZ ARG E 230 27.815 -5.504 109.819 1.00 55.34 C +ATOM 9735 NH1 ARG E 230 26.579 -5.888 109.471 1.00 54.46 N +ATOM 9736 NH2 ARG E 230 28.499 -6.222 110.709 1.00 55.19 N +ATOM 9737 N TYR E 231 27.358 0.162 111.778 1.00 23.07 N +ATOM 9738 CA TYR E 231 27.059 0.107 113.216 1.00 22.78 C +ATOM 9739 C TYR E 231 25.988 1.085 113.664 1.00 22.26 C +ATOM 9740 O TYR E 231 25.140 0.712 114.463 1.00 24.67 O +ATOM 9741 CB TYR E 231 28.320 0.367 114.024 1.00 22.32 C +ATOM 9742 CG TYR E 231 28.168 0.150 115.517 1.00 24.23 C +ATOM 9743 CD1 TYR E 231 27.638 -1.042 116.026 1.00 23.00 C +ATOM 9744 CD2 TYR E 231 28.576 1.121 116.431 1.00 22.18 C +ATOM 9745 CE1 TYR E 231 27.523 -1.254 117.393 1.00 20.39 C +ATOM 9746 CE2 TYR E 231 28.466 0.904 117.803 1.00 19.79 C +ATOM 9747 CZ TYR E 231 27.934 -0.280 118.270 1.00 21.28 C +ATOM 9748 OH TYR E 231 27.802 -0.490 119.616 1.00 20.94 O +ATOM 9749 N VAL E 232 26.026 2.323 113.159 1.00 22.20 N +ATOM 9750 CA VAL E 232 25.092 3.341 113.604 1.00 22.11 C +ATOM 9751 C VAL E 232 23.687 3.129 113.065 1.00 23.28 C +ATOM 9752 O VAL E 232 22.737 3.656 113.644 1.00 23.30 O +ATOM 9753 CB VAL E 232 25.524 4.843 113.309 1.00 24.16 C +ATOM 9754 CG1 VAL E 232 26.804 5.253 114.094 1.00 18.65 C +ATOM 9755 CG2 VAL E 232 25.644 5.123 111.807 1.00 19.90 C +ATOM 9756 N LYS E 233 23.529 2.387 111.963 1.00 23.52 N +ATOM 9757 CA LYS E 233 22.193 2.223 111.385 1.00 24.01 C +ATOM 9758 C LYS E 233 21.155 1.554 112.330 1.00 22.61 C +ATOM 9759 O LYS E 233 20.080 2.122 112.546 1.00 23.27 O +ATOM 9760 CB LYS E 233 22.244 1.526 110.040 1.00 27.36 C +ATOM 9761 CG LYS E 233 20.870 1.513 109.354 1.00 34.25 C +ATOM 9762 CD LYS E 233 20.954 1.304 107.833 1.00 49.61 C +ATOM 9763 CE LYS E 233 21.018 -0.182 107.445 1.00 54.66 C +ATOM 9764 NZ LYS E 233 19.661 -0.712 107.155 1.00 59.56 N +ATOM 9765 N PRO E 234 21.463 0.365 112.885 1.00 21.31 N +ATOM 9766 CA PRO E 234 20.563 -0.181 113.920 1.00 21.90 C +ATOM 9767 C PRO E 234 20.453 0.676 115.211 1.00 20.80 C +ATOM 9768 O PRO E 234 19.393 0.701 115.839 1.00 20.26 O +ATOM 9769 CB PRO E 234 21.150 -1.568 114.213 1.00 19.46 C +ATOM 9770 CG PRO E 234 22.559 -1.483 113.813 1.00 19.72 C +ATOM 9771 CD PRO E 234 22.608 -0.523 112.647 1.00 23.84 C +ATOM 9772 N ILE E 235 21.514 1.397 115.571 1.00 21.35 N +ATOM 9773 CA ILE E 235 21.465 2.321 116.729 1.00 20.70 C +ATOM 9774 C ILE E 235 20.409 3.419 116.488 1.00 20.69 C +ATOM 9775 O ILE E 235 19.517 3.611 117.302 1.00 21.81 O +ATOM 9776 CB ILE E 235 22.837 2.951 117.036 1.00 20.90 C +ATOM 9777 CG1 ILE E 235 23.840 1.869 117.439 1.00 18.36 C +ATOM 9778 CG2 ILE E 235 22.700 4.004 118.160 1.00 19.86 C +ATOM 9779 CD1 ILE E 235 25.290 2.287 117.454 1.00 17.94 C +ATOM 9780 N VAL E 236 20.498 4.082 115.336 1.00 20.43 N +ATOM 9781 CA VAL E 236 19.541 5.097 114.923 1.00 20.30 C +ATOM 9782 C VAL E 236 18.103 4.545 114.886 1.00 21.68 C +ATOM 9783 O VAL E 236 17.169 5.209 115.352 1.00 21.77 O +ATOM 9784 CB VAL E 236 19.953 5.757 113.540 1.00 20.57 C +ATOM 9785 CG1 VAL E 236 18.824 6.563 112.940 1.00 12.67 C +ATOM 9786 CG2 VAL E 236 21.171 6.647 113.726 1.00 18.78 C +ATOM 9787 N GLU E 237 17.944 3.330 114.359 1.00 22.83 N +ATOM 9788 CA GLU E 237 16.624 2.703 114.211 1.00 23.07 C +ATOM 9789 C GLU E 237 15.992 2.456 115.576 1.00 21.35 C +ATOM 9790 O GLU E 237 14.840 2.756 115.797 1.00 21.62 O +ATOM 9791 CB GLU E 237 16.743 1.379 113.429 1.00 22.23 C +ATOM 9792 CG GLU E 237 15.409 0.816 112.892 1.00 30.71 C +ATOM 9793 CD GLU E 237 14.522 0.175 113.965 1.00 36.48 C +ATOM 9794 OE1 GLU E 237 15.033 -0.631 114.791 1.00 42.64 O +ATOM 9795 OE2 GLU E 237 13.299 0.473 113.984 1.00 39.14 O +ATOM 9796 N LYS E 238 16.743 1.874 116.491 1.00 21.77 N +ATOM 9797 CA LYS E 238 16.223 1.612 117.839 1.00 22.89 C +ATOM 9798 C LYS E 238 15.929 2.895 118.587 1.00 22.25 C +ATOM 9799 O LYS E 238 14.895 2.992 119.228 1.00 22.35 O +ATOM 9800 CB LYS E 238 17.174 0.754 118.628 1.00 21.72 C +ATOM 9801 CG LYS E 238 17.161 -0.679 118.218 1.00 24.68 C +ATOM 9802 CD LYS E 238 18.003 -1.504 119.169 1.00 35.76 C +ATOM 9803 CE LYS E 238 17.887 -2.983 118.837 1.00 44.96 C +ATOM 9804 NZ LYS E 238 16.455 -3.465 118.929 1.00 48.79 N +ATOM 9805 N LEU E 239 16.804 3.896 118.472 1.00 21.99 N +ATOM 9806 CA LEU E 239 16.569 5.191 119.135 1.00 21.02 C +ATOM 9807 C LEU E 239 15.312 5.879 118.592 1.00 20.74 C +ATOM 9808 O LEU E 239 14.501 6.387 119.371 1.00 19.98 O +ATOM 9809 CB LEU E 239 17.805 6.104 119.063 1.00 19.26 C +ATOM 9810 CG LEU E 239 19.027 5.724 119.939 1.00 17.08 C +ATOM 9811 CD1 LEU E 239 20.152 6.672 119.632 1.00 18.53 C +ATOM 9812 CD2 LEU E 239 18.722 5.735 121.446 1.00 17.09 C +ATOM 9813 N ALA E 240 15.129 5.847 117.273 1.00 21.25 N +ATOM 9814 CA ALA E 240 13.913 6.405 116.636 1.00 20.38 C +ATOM 9815 C ALA E 240 12.634 5.729 117.144 1.00 20.45 C +ATOM 9816 O ALA E 240 11.623 6.396 117.405 1.00 22.22 O +ATOM 9817 CB ALA E 240 14.004 6.328 115.112 1.00 19.16 C +ATOM 9818 N GLY E 241 12.676 4.413 117.290 1.00 20.75 N +ATOM 9819 CA GLY E 241 11.575 3.693 117.889 1.00 21.10 C +ATOM 9820 C GLY E 241 11.270 4.132 119.316 1.00 21.60 C +ATOM 9821 O GLY E 241 10.117 4.284 119.672 1.00 21.46 O +ATOM 9822 N LEU E 242 12.309 4.308 120.139 1.00 21.21 N +ATOM 9823 CA LEU E 242 12.139 4.836 121.496 1.00 20.70 C +ATOM 9824 C LEU E 242 11.477 6.244 121.487 1.00 21.69 C +ATOM 9825 O LEU E 242 10.493 6.481 122.209 1.00 21.05 O +ATOM 9826 CB LEU E 242 13.488 4.856 122.232 1.00 19.38 C +ATOM 9827 CG LEU E 242 13.591 5.502 123.622 1.00 21.89 C +ATOM 9828 CD1 LEU E 242 12.828 4.675 124.656 1.00 19.40 C +ATOM 9829 CD2 LEU E 242 15.048 5.699 124.044 1.00 18.06 C +ATOM 9830 N PHE E 243 11.980 7.154 120.646 1.00 22.03 N +ATOM 9831 CA PHE E 243 11.404 8.490 120.514 1.00 23.02 C +ATOM 9832 C PHE E 243 9.945 8.391 120.137 1.00 23.73 C +ATOM 9833 O PHE E 243 9.114 9.085 120.708 1.00 24.59 O +ATOM 9834 CB PHE E 243 12.084 9.355 119.447 1.00 21.36 C +ATOM 9835 CG PHE E 243 13.579 9.532 119.608 1.00 21.67 C +ATOM 9836 CD1 PHE E 243 14.258 9.139 120.748 1.00 26.56 C +ATOM 9837 CD2 PHE E 243 14.300 10.159 118.596 1.00 21.95 C +ATOM 9838 CE1 PHE E 243 15.642 9.350 120.870 1.00 23.12 C +ATOM 9839 CE2 PHE E 243 15.653 10.393 118.727 1.00 23.25 C +ATOM 9840 CZ PHE E 243 16.329 9.958 119.857 1.00 18.25 C +ATOM 9841 N GLU E 244 9.629 7.543 119.161 1.00 23.74 N +ATOM 9842 CA GLU E 244 8.239 7.340 118.740 1.00 24.44 C +ATOM 9843 C GLU E 244 7.375 6.853 119.885 1.00 23.88 C +ATOM 9844 O GLU E 244 6.279 7.340 120.097 1.00 24.90 O +ATOM 9845 CB GLU E 244 8.157 6.346 117.575 1.00 23.76 C +ATOM 9846 CG GLU E 244 8.735 6.887 116.289 1.00 26.43 C +ATOM 9847 CD GLU E 244 9.089 5.808 115.252 1.00 29.09 C +ATOM 9848 OE1 GLU E 244 8.696 4.617 115.396 1.00 34.37 O +ATOM 9849 OE2 GLU E 244 9.764 6.171 114.276 1.00 32.59 O +ATOM 9850 N GLU E 245 7.874 5.875 120.622 1.00 24.46 N +ATOM 9851 CA GLU E 245 7.081 5.269 121.706 1.00 25.06 C +ATOM 9852 C GLU E 245 6.934 6.228 122.882 1.00 25.83 C +ATOM 9853 O GLU E 245 5.875 6.294 123.492 1.00 26.78 O +ATOM 9854 CB GLU E 245 7.699 3.961 122.145 1.00 23.47 C +ATOM 9855 CG GLU E 245 7.570 2.843 121.116 1.00 25.62 C +ATOM 9856 CD GLU E 245 8.509 1.691 121.386 1.00 28.75 C +ATOM 9857 OE1 GLU E 245 9.404 1.848 122.229 1.00 28.61 O +ATOM 9858 OE2 GLU E 245 8.355 0.622 120.749 1.00 36.12 O +HETATM 9859 N MSE E 246 7.989 6.985 123.189 1.00 25.87 N +HETATM 9860 CA MSE E 246 7.916 8.022 124.237 1.00 26.18 C +HETATM 9861 C MSE E 246 6.889 9.084 123.875 1.00 28.42 C +HETATM 9862 O MSE E 246 6.186 9.583 124.734 1.00 28.72 O +HETATM 9863 CB MSE E 246 9.272 8.684 124.468 1.00 23.93 C +HETATM 9864 CG MSE E 246 10.246 7.805 125.213 1.00 25.12 C +HETATM 9865 SE MSE E 246 12.009 8.625 125.367 0.75 23.33 SE +HETATM 9866 CE MSE E 246 11.507 9.939 126.816 1.00 21.46 C +ATOM 9867 N ALA E 247 6.818 9.417 122.590 1.00 29.71 N +ATOM 9868 CA ALA E 247 5.834 10.366 122.091 1.00 30.54 C +ATOM 9869 C ALA E 247 4.407 9.806 122.156 1.00 30.63 C +ATOM 9870 O ALA E 247 3.476 10.521 122.489 1.00 31.29 O +ATOM 9871 CB ALA E 247 6.183 10.776 120.644 1.00 27.99 C +ATOM 9872 N GLN E 248 4.253 8.526 121.854 1.00 30.34 N +ATOM 9873 CA GLN E 248 2.937 7.937 121.616 1.00 33.47 C +ATOM 9874 C GLN E 248 2.281 7.230 122.802 1.00 33.39 C +ATOM 9875 O GLN E 248 1.102 6.898 122.737 1.00 34.28 O +ATOM 9876 CB GLN E 248 3.021 7.008 120.387 1.00 33.76 C +ATOM 9877 CG GLN E 248 3.331 7.826 119.108 1.00 38.20 C +ATOM 9878 CD GLN E 248 3.574 7.013 117.850 1.00 38.49 C +ATOM 9879 OE1 GLN E 248 3.978 5.851 117.892 1.00 41.33 O +ATOM 9880 NE2 GLN E 248 3.342 7.655 116.703 1.00 42.18 N +ATOM 9881 N HIS E 249 3.041 6.986 123.860 1.00 32.90 N +ATOM 9882 CA HIS E 249 2.548 6.281 125.048 1.00 32.91 C +ATOM 9883 C HIS E 249 2.887 7.027 126.343 1.00 32.57 C +ATOM 9884 O HIS E 249 3.926 7.681 126.442 1.00 32.81 O +ATOM 9885 CB HIS E 249 3.161 4.878 125.110 1.00 33.12 C +ATOM 9886 CG HIS E 249 2.722 3.983 123.996 1.00 35.85 C +ATOM 9887 ND1 HIS E 249 1.432 3.504 123.894 1.00 37.65 N +ATOM 9888 CD2 HIS E 249 3.396 3.486 122.931 1.00 37.59 C +ATOM 9889 CE1 HIS E 249 1.332 2.756 122.809 1.00 41.65 C +ATOM 9890 NE2 HIS E 249 2.507 2.738 122.203 1.00 38.96 N +ATOM 9891 N ASP E 250 2.012 6.906 127.343 1.00 32.03 N +ATOM 9892 CA ASP E 250 2.395 7.202 128.708 1.00 31.43 C +ATOM 9893 C ASP E 250 3.348 6.087 129.136 1.00 28.14 C +ATOM 9894 O ASP E 250 3.369 5.021 128.510 1.00 27.10 O +ATOM 9895 CB ASP E 250 1.175 7.301 129.647 1.00 33.02 C +ATOM 9896 CG ASP E 250 0.262 8.525 129.336 1.00 41.38 C +ATOM 9897 OD1 ASP E 250 0.773 9.596 128.908 1.00 43.81 O +ATOM 9898 OD2 ASP E 250 -0.975 8.404 129.519 1.00 47.88 O +ATOM 9899 N LEU E 251 4.157 6.359 130.157 1.00 25.72 N +ATOM 9900 CA LEU E 251 5.108 5.389 130.696 1.00 25.72 C +ATOM 9901 C LEU E 251 4.430 4.081 131.140 1.00 25.86 C +ATOM 9902 O LEU E 251 4.987 2.962 130.964 1.00 24.17 O +ATOM 9903 CB LEU E 251 5.884 5.993 131.875 1.00 25.15 C +ATOM 9904 CG LEU E 251 7.063 5.194 132.441 1.00 25.02 C +ATOM 9905 CD1 LEU E 251 8.123 4.930 131.342 1.00 19.52 C +ATOM 9906 CD2 LEU E 251 7.652 5.960 133.613 1.00 22.56 C +ATOM 9907 N TYR E 252 3.260 4.233 131.753 1.00 26.75 N +ATOM 9908 CA TYR E 252 2.411 3.088 132.139 1.00 28.52 C +ATOM 9909 C TYR E 252 0.995 3.363 131.636 1.00 31.42 C +ATOM 9910 O TYR E 252 0.525 4.479 131.722 1.00 31.41 O +ATOM 9911 CB TYR E 252 2.390 2.912 133.673 1.00 26.57 C +ATOM 9912 CG TYR E 252 3.707 2.445 134.284 1.00 24.50 C +ATOM 9913 CD1 TYR E 252 4.000 1.095 134.390 1.00 22.51 C +ATOM 9914 CD2 TYR E 252 4.647 3.352 134.765 1.00 21.71 C +ATOM 9915 CE1 TYR E 252 5.190 0.660 134.951 1.00 24.71 C +ATOM 9916 CE2 TYR E 252 5.851 2.915 135.312 1.00 22.86 C +ATOM 9917 CZ TYR E 252 6.104 1.563 135.418 1.00 22.62 C +ATOM 9918 OH TYR E 252 7.270 1.078 135.987 1.00 22.12 O +ATOM 9919 N GLU E 253 0.332 2.349 131.103 1.00 36.68 N +ATOM 9920 CA GLU E 253 -1.052 2.504 130.607 1.00 40.82 C +ATOM 9921 C GLU E 253 -1.954 1.428 131.181 1.00 44.31 C +ATOM 9922 O GLU E 253 -1.487 0.465 131.760 1.00 45.98 O +ATOM 9923 CB GLU E 253 -1.092 2.448 129.084 1.00 38.77 C +ATOM 9924 CG GLU E 253 -0.494 3.656 128.451 1.00 36.49 C +ATOM 9925 CD GLU E 253 -0.357 3.548 126.940 1.00 36.32 C +ATOM 9926 OE1 GLU E 253 -0.347 2.414 126.378 1.00 37.38 O +ATOM 9927 OE2 GLU E 253 -0.256 4.626 126.330 1.00 42.18 O +ATOM 9928 OXT GLU E 253 -3.178 1.520 131.081 1.00 50.39 O +TER 9929 GLU E 253 +ATOM 9930 N GLY F 0 39.982 28.317 108.143 1.00 48.03 N +ATOM 9931 CA GLY F 0 39.730 26.856 108.008 1.00 46.55 C +ATOM 9932 C GLY F 0 40.138 26.157 109.279 1.00 44.36 C +ATOM 9933 O GLY F 0 40.761 26.759 110.157 1.00 47.22 O +HETATM 9934 N MSE F 1 39.809 24.876 109.364 1.00 39.79 N +HETATM 9935 CA MSE F 1 40.094 24.059 110.556 1.00 40.18 C +HETATM 9936 C MSE F 1 41.500 24.281 111.117 1.00 37.42 C +HETATM 9937 O MSE F 1 42.487 24.076 110.402 1.00 37.66 O +HETATM 9938 CB MSE F 1 39.948 22.585 110.190 1.00 40.29 C +HETATM 9939 CG MSE F 1 40.417 21.608 111.253 1.00 43.85 C +HETATM 9940 SE MSE F 1 39.904 19.814 110.758 0.75 44.56 SE +HETATM 9941 CE MSE F 1 38.000 20.281 110.168 1.00 41.34 C +ATOM 9942 N ASN F 2 41.587 24.664 112.395 1.00 33.56 N +ATOM 9943 CA ASN F 2 42.882 24.859 113.057 1.00 31.16 C +ATOM 9944 C ASN F 2 42.969 24.107 114.396 1.00 29.96 C +ATOM 9945 O ASN F 2 42.493 24.588 115.433 1.00 27.81 O +ATOM 9946 CB ASN F 2 43.175 26.360 113.224 1.00 31.03 C +ATOM 9947 CG ASN F 2 44.632 26.642 113.555 1.00 30.09 C +ATOM 9948 OD1 ASN F 2 45.350 25.798 114.104 1.00 33.87 O +ATOM 9949 ND2 ASN F 2 45.064 27.850 113.255 1.00 28.89 N +ATOM 9950 N LYS F 3 43.591 22.923 114.354 1.00 28.99 N +ATOM 9951 CA LYS F 3 43.695 22.044 115.517 1.00 29.96 C +ATOM 9952 C LYS F 3 44.685 22.595 116.542 1.00 28.53 C +ATOM 9953 O LYS F 3 44.706 22.153 117.699 1.00 27.89 O +ATOM 9954 CB LYS F 3 44.119 20.615 115.112 1.00 30.66 C +ATOM 9955 CG LYS F 3 43.112 19.797 114.317 1.00 33.86 C +ATOM 9956 CD LYS F 3 43.580 18.302 114.181 1.00 32.16 C +ATOM 9957 CE LYS F 3 42.618 17.399 113.339 1.00 35.15 C +ATOM 9958 NZ LYS F 3 42.874 15.905 113.511 1.00 29.99 N +ATOM 9959 N GLU F 4 45.510 23.553 116.129 1.00 27.84 N +ATOM 9960 CA GLU F 4 46.507 24.119 117.039 1.00 27.63 C +ATOM 9961 C GLU F 4 45.906 25.042 118.116 1.00 23.78 C +ATOM 9962 O GLU F 4 46.383 25.052 119.268 1.00 24.32 O +ATOM 9963 CB GLU F 4 47.597 24.859 116.266 1.00 27.74 C +ATOM 9964 CG GLU F 4 48.831 25.173 117.118 1.00 29.22 C +ATOM 9965 CD GLU F 4 50.056 25.574 116.283 1.00 32.72 C +ATOM 9966 OE1 GLU F 4 49.973 25.621 115.024 1.00 40.64 O +ATOM 9967 OE2 GLU F 4 51.111 25.828 116.894 1.00 32.67 O +ATOM 9968 N VAL F 5 44.866 25.784 117.740 1.00 21.27 N +ATOM 9969 CA VAL F 5 44.256 26.770 118.636 1.00 20.88 C +ATOM 9970 C VAL F 5 42.735 26.604 118.849 1.00 20.73 C +ATOM 9971 O VAL F 5 42.156 27.338 119.674 1.00 20.46 O +ATOM 9972 CB VAL F 5 44.531 28.214 118.130 1.00 21.34 C +ATOM 9973 CG1 VAL F 5 46.049 28.520 118.041 1.00 16.07 C +ATOM 9974 CG2 VAL F 5 43.856 28.445 116.816 1.00 17.58 C +ATOM 9975 N ASP F 6 42.078 25.674 118.132 1.00 19.68 N +ATOM 9976 CA ASP F 6 40.604 25.469 118.266 1.00 19.67 C +ATOM 9977 C ASP F 6 40.313 24.071 118.815 1.00 19.69 C +ATOM 9978 O ASP F 6 40.403 23.096 118.088 1.00 20.19 O +ATOM 9979 CB ASP F 6 39.938 25.683 116.924 1.00 18.82 C +ATOM 9980 CG ASP F 6 38.413 25.604 116.970 1.00 21.31 C +ATOM 9981 OD1 ASP F 6 37.799 25.472 118.053 1.00 23.37 O +ATOM 9982 OD2 ASP F 6 37.825 25.707 115.873 1.00 20.91 O +ATOM 9983 N LEU F 7 40.024 23.981 120.112 1.00 18.77 N +ATOM 9984 CA LEU F 7 39.853 22.692 120.770 1.00 19.87 C +ATOM 9985 C LEU F 7 38.665 21.904 120.221 1.00 20.68 C +ATOM 9986 O LEU F 7 38.677 20.671 120.247 1.00 22.39 O +ATOM 9987 CB LEU F 7 39.746 22.837 122.301 1.00 20.01 C +ATOM 9988 CG LEU F 7 40.031 21.529 123.055 1.00 18.61 C +ATOM 9989 CD1 LEU F 7 41.516 21.249 123.206 1.00 17.64 C +ATOM 9990 CD2 LEU F 7 39.347 21.467 124.417 1.00 17.39 C +ATOM 9991 N SER F 8 37.655 22.605 119.716 1.00 21.14 N +ATOM 9992 CA SER F 8 36.506 21.962 119.084 1.00 22.22 C +ATOM 9993 C SER F 8 36.834 21.031 117.898 1.00 22.57 C +ATOM 9994 O SER F 8 36.056 20.144 117.587 1.00 23.69 O +ATOM 9995 CB SER F 8 35.492 23.026 118.662 1.00 23.90 C +ATOM 9996 OG SER F 8 35.008 23.706 119.811 1.00 27.49 O +ATOM 9997 N VAL F 9 37.966 21.235 117.241 1.00 22.04 N +ATOM 9998 CA VAL F 9 38.401 20.361 116.170 1.00 22.59 C +ATOM 9999 C VAL F 9 39.734 19.640 116.468 1.00 23.84 C +ATOM 10000 O VAL F 9 40.184 18.843 115.656 1.00 27.21 O +ATOM 10001 CB VAL F 9 38.491 21.110 114.813 1.00 21.00 C +ATOM 10002 CG1 VAL F 9 37.112 21.660 114.386 1.00 14.64 C +ATOM 10003 CG2 VAL F 9 39.526 22.225 114.866 1.00 19.64 C +ATOM 10004 N SER F 10 40.336 19.892 117.633 1.00 22.65 N +ATOM 10005 CA SER F 10 41.691 19.425 117.931 1.00 21.65 C +ATOM 10006 C SER F 10 41.764 18.017 118.569 1.00 22.78 C +ATOM 10007 O SER F 10 40.763 17.443 118.965 1.00 22.56 O +ATOM 10008 CB SER F 10 42.374 20.424 118.835 1.00 21.90 C +ATOM 10009 OG SER F 10 43.760 20.141 118.940 1.00 23.95 O +ATOM 10010 N CYS F 11 42.967 17.454 118.645 1.00 23.04 N +ATOM 10011 CA CYS F 11 43.163 16.143 119.272 1.00 22.90 C +ATOM 10012 C CYS F 11 44.463 16.137 120.042 1.00 23.21 C +ATOM 10013 O CYS F 11 45.313 16.977 119.835 1.00 23.68 O +ATOM 10014 CB CYS F 11 43.185 15.052 118.213 1.00 23.79 C +ATOM 10015 SG CYS F 11 44.497 15.336 116.996 1.00 25.39 S +ATOM 10016 N LEU F 12 44.603 15.187 120.954 1.00 23.50 N +ATOM 10017 CA LEU F 12 45.750 15.153 121.820 1.00 23.87 C +ATOM 10018 C LEU F 12 47.081 15.137 121.049 1.00 25.32 C +ATOM 10019 O LEU F 12 48.032 15.735 121.496 1.00 25.74 O +ATOM 10020 CB LEU F 12 45.658 13.956 122.789 1.00 23.12 C +ATOM 10021 CG LEU F 12 46.813 13.802 123.789 1.00 24.11 C +ATOM 10022 CD1 LEU F 12 46.950 15.084 124.679 1.00 21.07 C +ATOM 10023 CD2 LEU F 12 46.639 12.532 124.613 1.00 22.13 C +ATOM 10024 N GLY F 13 47.144 14.434 119.923 1.00 26.26 N +ATOM 10025 CA GLY F 13 48.391 14.289 119.140 1.00 26.90 C +ATOM 10026 C GLY F 13 48.942 15.628 118.676 1.00 28.44 C +ATOM 10027 O GLY F 13 50.169 15.882 118.750 1.00 28.29 O +ATOM 10028 N LYS F 14 48.023 16.511 118.282 1.00 28.80 N +ATOM 10029 CA LYS F 14 48.385 17.843 117.814 1.00 30.29 C +ATOM 10030 C LYS F 14 48.775 18.778 118.957 1.00 31.09 C +ATOM 10031 O LYS F 14 49.641 19.642 118.795 1.00 35.40 O +ATOM 10032 CB LYS F 14 47.247 18.452 117.000 1.00 32.28 C +ATOM 10033 CG LYS F 14 47.562 19.868 116.449 1.00 43.34 C +ATOM 10034 CD LYS F 14 48.747 19.844 115.456 1.00 50.64 C +ATOM 10035 CE LYS F 14 48.854 21.107 114.581 1.00 47.76 C +ATOM 10036 NZ LYS F 14 47.935 21.075 113.398 1.00 48.96 N +ATOM 10037 N VAL F 15 48.174 18.613 120.128 1.00 29.58 N +ATOM 10038 CA VAL F 15 48.425 19.573 121.198 1.00 28.34 C +ATOM 10039 C VAL F 15 49.511 19.156 122.179 1.00 29.19 C +ATOM 10040 O VAL F 15 50.114 20.015 122.812 1.00 27.30 O +ATOM 10041 CB VAL F 15 47.137 19.933 121.966 1.00 28.86 C +ATOM 10042 CG1 VAL F 15 46.020 20.199 120.998 1.00 26.85 C +ATOM 10043 CG2 VAL F 15 46.764 18.848 122.935 1.00 26.91 C +ATOM 10044 N LYS F 16 49.810 17.860 122.281 1.00 30.74 N +ATOM 10045 CA LYS F 16 50.590 17.371 123.416 1.00 34.71 C +ATOM 10046 C LYS F 16 52.083 17.815 123.488 1.00 35.09 C +ATOM 10047 O LYS F 16 52.690 17.806 124.566 1.00 35.28 O +ATOM 10048 CB LYS F 16 50.450 15.841 123.574 1.00 35.29 C +ATOM 10049 CG LYS F 16 51.159 14.977 122.543 1.00 37.10 C +ATOM 10050 CD LYS F 16 51.413 13.560 123.090 1.00 40.33 C +ATOM 10051 CE LYS F 16 52.422 12.798 122.202 1.00 50.72 C +ATOM 10052 NZ LYS F 16 52.698 11.395 122.643 1.00 55.12 N +ATOM 10053 N GLU F 17 52.675 18.220 122.375 1.00 36.26 N +ATOM 10054 CA GLU F 17 54.072 18.687 122.427 1.00 39.90 C +ATOM 10055 C GLU F 17 54.245 20.225 122.273 1.00 38.75 C +ATOM 10056 O GLU F 17 55.359 20.725 122.017 1.00 39.55 O +ATOM 10057 CB GLU F 17 54.882 17.918 121.392 1.00 43.05 C +ATOM 10058 CG GLU F 17 55.001 16.419 121.770 1.00 50.40 C +ATOM 10059 CD GLU F 17 55.021 15.517 120.561 1.00 57.38 C +ATOM 10060 OE1 GLU F 17 55.437 15.999 119.482 1.00 61.03 O +ATOM 10061 OE2 GLU F 17 54.632 14.326 120.696 1.00 63.35 O +ATOM 10062 N LEU F 18 53.150 20.963 122.466 1.00 35.54 N +ATOM 10063 CA LEU F 18 53.145 22.399 122.234 1.00 33.00 C +ATOM 10064 C LEU F 18 52.943 23.134 123.522 1.00 31.69 C +ATOM 10065 O LEU F 18 52.245 22.669 124.409 1.00 32.29 O +ATOM 10066 CB LEU F 18 52.036 22.768 121.274 1.00 32.08 C +ATOM 10067 CG LEU F 18 52.158 22.251 119.854 1.00 28.71 C +ATOM 10068 CD1 LEU F 18 50.967 22.794 119.143 1.00 23.24 C +ATOM 10069 CD2 LEU F 18 53.454 22.716 119.199 1.00 30.18 C +ATOM 10070 N LYS F 19 53.569 24.296 123.613 1.00 30.80 N +ATOM 10071 CA LYS F 19 53.428 25.166 124.775 1.00 29.80 C +ATOM 10072 C LYS F 19 52.299 26.144 124.570 1.00 26.94 C +ATOM 10073 O LYS F 19 52.295 26.889 123.585 1.00 24.52 O +ATOM 10074 CB LYS F 19 54.707 25.961 125.024 1.00 31.92 C +ATOM 10075 CG LYS F 19 54.798 26.426 126.487 1.00 40.31 C +ATOM 10076 CD LYS F 19 55.642 27.656 126.722 1.00 47.54 C +ATOM 10077 CE LYS F 19 55.201 28.328 128.024 1.00 54.82 C +ATOM 10078 NZ LYS F 19 54.910 27.335 129.124 1.00 55.19 N +ATOM 10079 N TYR F 20 51.354 26.162 125.503 1.00 25.36 N +ATOM 10080 CA TYR F 20 50.256 27.119 125.449 1.00 24.41 C +ATOM 10081 C TYR F 20 50.434 28.139 126.554 1.00 23.78 C +ATOM 10082 O TYR F 20 50.757 27.798 127.678 1.00 25.72 O +ATOM 10083 CB TYR F 20 48.884 26.419 125.519 1.00 23.41 C +ATOM 10084 CG TYR F 20 48.572 25.643 124.269 1.00 22.01 C +ATOM 10085 CD1 TYR F 20 49.015 24.340 124.103 1.00 21.30 C +ATOM 10086 CD2 TYR F 20 47.857 26.203 123.251 1.00 17.35 C +ATOM 10087 CE1 TYR F 20 48.760 23.642 122.948 1.00 20.14 C +ATOM 10088 CE2 TYR F 20 47.576 25.490 122.109 1.00 18.20 C +ATOM 10089 CZ TYR F 20 48.056 24.207 121.959 1.00 19.39 C +ATOM 10090 OH TYR F 20 47.828 23.491 120.798 1.00 22.82 O +ATOM 10091 N ASP F 21 50.237 29.397 126.197 1.00 24.83 N +ATOM 10092 CA ASP F 21 50.430 30.537 127.100 1.00 26.15 C +ATOM 10093 C ASP F 21 49.118 31.000 127.739 1.00 26.01 C +ATOM 10094 O ASP F 21 49.038 31.190 128.970 1.00 27.45 O +ATOM 10095 CB ASP F 21 51.024 31.706 126.314 1.00 26.38 C +ATOM 10096 CG ASP F 21 52.410 31.404 125.794 1.00 31.87 C +ATOM 10097 OD1 ASP F 21 53.286 31.203 126.645 1.00 37.56 O +ATOM 10098 OD2 ASP F 21 52.600 31.343 124.553 1.00 31.21 O +ATOM 10099 N VAL F 22 48.105 31.204 126.904 1.00 24.12 N +ATOM 10100 CA VAL F 22 46.789 31.700 127.376 1.00 23.07 C +ATOM 10101 C VAL F 22 45.685 30.767 126.955 1.00 21.45 C +ATOM 10102 O VAL F 22 45.770 30.206 125.891 1.00 20.18 O +ATOM 10103 CB VAL F 22 46.521 33.126 126.860 1.00 25.08 C +ATOM 10104 CG1 VAL F 22 45.281 33.727 127.513 1.00 22.28 C +ATOM 10105 CG2 VAL F 22 47.771 33.993 127.075 1.00 22.07 C +ATOM 10106 N ILE F 23 44.666 30.585 127.814 1.00 20.41 N +ATOM 10107 CA ILE F 23 43.452 29.808 127.474 1.00 18.44 C +ATOM 10108 C ILE F 23 42.312 30.797 127.280 1.00 17.98 C +ATOM 10109 O ILE F 23 42.154 31.756 128.030 1.00 18.52 O +ATOM 10110 CB ILE F 23 43.058 28.771 128.597 1.00 18.78 C +ATOM 10111 CG1 ILE F 23 44.283 27.936 129.072 1.00 22.14 C +ATOM 10112 CG2 ILE F 23 41.852 27.909 128.187 1.00 15.61 C +ATOM 10113 CD1 ILE F 23 45.119 27.309 127.988 1.00 22.20 C +ATOM 10114 N ILE F 24 41.504 30.573 126.260 1.00 17.81 N +ATOM 10115 CA ILE F 24 40.351 31.436 125.986 1.00 19.41 C +ATOM 10116 C ILE F 24 39.117 30.590 126.131 1.00 16.78 C +ATOM 10117 O ILE F 24 39.011 29.555 125.494 1.00 17.79 O +ATOM 10118 CB ILE F 24 40.353 32.047 124.564 1.00 21.24 C +ATOM 10119 CG1 ILE F 24 41.787 32.431 124.104 1.00 23.60 C +ATOM 10120 CG2 ILE F 24 39.443 33.171 124.555 1.00 15.04 C +ATOM 10121 CD1 ILE F 24 42.480 33.326 124.989 1.00 30.14 C +ATOM 10122 N LEU F 25 38.203 31.008 126.999 1.00 17.38 N +ATOM 10123 CA LEU F 25 36.940 30.328 127.183 1.00 17.49 C +ATOM 10124 C LEU F 25 35.802 31.158 126.587 1.00 18.03 C +ATOM 10125 O LEU F 25 35.393 32.160 127.178 1.00 19.07 O +ATOM 10126 CB LEU F 25 36.706 30.055 128.675 1.00 18.73 C +ATOM 10127 CG LEU F 25 35.461 29.274 129.114 1.00 17.03 C +ATOM 10128 CD1 LEU F 25 35.513 27.871 128.511 1.00 10.71 C +ATOM 10129 CD2 LEU F 25 35.383 29.248 130.653 1.00 15.65 C +ATOM 10130 N PRO F 26 35.299 30.767 125.398 1.00 18.35 N +ATOM 10131 CA PRO F 26 34.111 31.427 124.911 1.00 18.28 C +ATOM 10132 C PRO F 26 32.879 30.979 125.744 1.00 18.70 C +ATOM 10133 O PRO F 26 32.732 29.800 126.082 1.00 18.21 O +ATOM 10134 CB PRO F 26 34.021 30.993 123.431 1.00 18.89 C +ATOM 10135 CG PRO F 26 35.300 30.256 123.139 1.00 19.76 C +ATOM 10136 CD PRO F 26 35.767 29.735 124.464 1.00 20.07 C +ATOM 10137 N TRP F 27 32.046 31.942 126.125 1.00 18.75 N +ATOM 10138 CA TRP F 27 30.900 31.648 126.953 1.00 17.27 C +ATOM 10139 C TRP F 27 29.709 32.352 126.367 1.00 16.57 C +ATOM 10140 O TRP F 27 29.673 33.617 126.238 1.00 16.98 O +ATOM 10141 CB TRP F 27 31.169 32.081 128.391 1.00 16.76 C +ATOM 10142 CG TRP F 27 30.290 31.446 129.373 1.00 15.35 C +ATOM 10143 CD1 TRP F 27 28.932 31.346 129.305 1.00 15.30 C +ATOM 10144 CD2 TRP F 27 30.681 30.798 130.584 1.00 13.93 C +ATOM 10145 NE1 TRP F 27 28.451 30.703 130.407 1.00 16.73 N +ATOM 10146 CE2 TRP F 27 29.493 30.361 131.219 1.00 15.12 C +ATOM 10147 CE3 TRP F 27 31.911 30.581 131.217 1.00 11.18 C +ATOM 10148 CZ2 TRP F 27 29.494 29.693 132.449 1.00 14.49 C +ATOM 10149 CZ3 TRP F 27 31.917 29.929 132.420 1.00 16.71 C +ATOM 10150 CH2 TRP F 27 30.711 29.480 133.032 1.00 18.06 C +ATOM 10151 N GLY F 28 28.748 31.524 125.977 1.00 16.22 N +ATOM 10152 CA GLY F 28 27.579 31.948 125.266 1.00 16.87 C +ATOM 10153 C GLY F 28 26.261 31.766 125.995 1.00 16.95 C +ATOM 10154 O GLY F 28 26.141 32.069 127.175 1.00 17.03 O +ATOM 10155 N ALA F 29 25.271 31.336 125.240 1.00 17.12 N +ATOM 10156 CA ALA F 29 23.896 31.169 125.690 1.00 17.08 C +ATOM 10157 C ALA F 29 23.196 30.329 124.633 1.00 17.53 C +ATOM 10158 O ALA F 29 23.656 30.276 123.486 1.00 18.60 O +ATOM 10159 CB ALA F 29 23.175 32.548 125.845 1.00 14.70 C +ATOM 10160 N THR F 30 22.095 29.689 125.038 1.00 19.05 N +ATOM 10161 CA THR F 30 21.154 28.999 124.164 1.00 18.40 C +ATOM 10162 C THR F 30 19.836 29.826 124.229 1.00 20.01 C +ATOM 10163 O THR F 30 19.064 29.771 125.204 1.00 18.92 O +ATOM 10164 CB THR F 30 21.016 27.525 124.607 1.00 18.63 C +ATOM 10165 OG1 THR F 30 22.335 26.939 124.705 1.00 17.87 O +ATOM 10166 CG2 THR F 30 20.106 26.681 123.656 1.00 14.28 C +ATOM 10167 N GLU F 31 19.598 30.607 123.179 1.00 20.14 N +ATOM 10168 CA GLU F 31 18.754 31.791 123.262 1.00 20.40 C +ATOM 10169 C GLU F 31 18.232 32.178 121.892 1.00 20.95 C +ATOM 10170 O GLU F 31 19.012 32.351 120.972 1.00 21.18 O +ATOM 10171 CB GLU F 31 19.564 32.968 123.818 1.00 17.96 C +ATOM 10172 CG GLU F 31 18.755 34.221 124.125 1.00 20.65 C +ATOM 10173 CD GLU F 31 19.609 35.422 124.465 1.00 23.66 C +ATOM 10174 OE1 GLU F 31 20.772 35.462 123.993 1.00 22.59 O +ATOM 10175 OE2 GLU F 31 19.126 36.333 125.181 1.00 22.23 O +ATOM 10176 N PRO F 32 16.909 32.335 121.761 1.00 22.29 N +ATOM 10177 CA PRO F 32 16.362 32.843 120.511 1.00 22.48 C +ATOM 10178 C PRO F 32 16.917 34.260 120.190 1.00 21.57 C +ATOM 10179 O PRO F 32 17.074 35.081 121.094 1.00 20.32 O +ATOM 10180 CB PRO F 32 14.861 32.907 120.773 1.00 22.89 C +ATOM 10181 CG PRO F 32 14.610 32.108 122.004 1.00 24.67 C +ATOM 10182 CD PRO F 32 15.872 32.067 122.764 1.00 21.27 C +ATOM 10183 N HIS F 33 17.212 34.483 118.910 1.00 20.48 N +ATOM 10184 CA HIS F 33 17.773 35.717 118.388 1.00 19.95 C +ATOM 10185 C HIS F 33 16.926 36.246 117.247 1.00 20.51 C +ATOM 10186 O HIS F 33 17.218 35.972 116.090 1.00 18.71 O +ATOM 10187 CB HIS F 33 19.183 35.438 117.891 1.00 19.84 C +ATOM 10188 CG HIS F 33 20.197 35.518 118.982 1.00 20.43 C +ATOM 10189 ND1 HIS F 33 20.288 34.572 119.990 1.00 18.28 N +ATOM 10190 CD2 HIS F 33 21.111 36.471 119.266 1.00 16.14 C +ATOM 10191 CE1 HIS F 33 21.260 34.919 120.816 1.00 22.08 C +ATOM 10192 NE2 HIS F 33 21.768 36.072 120.403 1.00 20.17 N +ATOM 10193 N ASN F 34 15.869 36.986 117.564 1.00 21.28 N +ATOM 10194 CA ASN F 34 14.873 37.337 116.564 1.00 21.86 C +ATOM 10195 C ASN F 34 14.404 36.017 115.921 1.00 23.55 C +ATOM 10196 O ASN F 34 14.511 34.969 116.531 1.00 24.23 O +ATOM 10197 CB ASN F 34 15.509 38.298 115.561 1.00 22.04 C +ATOM 10198 CG ASN F 34 14.498 39.092 114.746 1.00 22.18 C +ATOM 10199 OD1 ASN F 34 13.606 38.518 114.126 1.00 19.61 O +ATOM 10200 ND2 ASN F 34 14.676 40.415 114.700 1.00 21.10 N +ATOM 10201 N LEU F 35 13.941 36.046 114.672 1.00 24.01 N +ATOM 10202 CA LEU F 35 13.506 34.841 113.999 1.00 23.04 C +ATOM 10203 C LEU F 35 14.574 34.253 113.140 1.00 21.81 C +ATOM 10204 O LEU F 35 14.443 33.126 112.703 1.00 24.56 O +ATOM 10205 CB LEU F 35 12.248 35.132 113.150 1.00 25.23 C +ATOM 10206 CG LEU F 35 11.017 35.752 113.849 1.00 25.65 C +ATOM 10207 CD1 LEU F 35 10.028 36.241 112.798 1.00 22.96 C +ATOM 10208 CD2 LEU F 35 10.352 34.765 114.802 1.00 21.23 C +ATOM 10209 N HIS F 36 15.656 34.977 112.912 1.00 22.00 N +ATOM 10210 CA HIS F 36 16.557 34.660 111.791 1.00 22.10 C +ATOM 10211 C HIS F 36 17.955 34.188 112.192 1.00 22.38 C +ATOM 10212 O HIS F 36 18.656 33.575 111.370 1.00 23.01 O +ATOM 10213 CB HIS F 36 16.688 35.866 110.867 1.00 22.67 C +ATOM 10214 CG HIS F 36 17.376 37.030 111.499 1.00 19.78 C +ATOM 10215 ND1 HIS F 36 16.943 37.595 112.678 1.00 22.77 N +ATOM 10216 CD2 HIS F 36 18.471 37.729 111.121 1.00 17.29 C +ATOM 10217 CE1 HIS F 36 17.752 38.590 113.002 1.00 23.42 C +ATOM 10218 NE2 HIS F 36 18.689 38.687 112.076 1.00 18.26 N +ATOM 10219 N LEU F 37 18.373 34.441 113.437 1.00 21.33 N +ATOM 10220 CA LEU F 37 19.717 34.034 113.839 1.00 20.32 C +ATOM 10221 C LEU F 37 19.666 32.740 114.650 1.00 19.70 C +ATOM 10222 O LEU F 37 18.647 32.434 115.277 1.00 19.45 O +ATOM 10223 CB LEU F 37 20.391 35.128 114.637 1.00 18.99 C +ATOM 10224 CG LEU F 37 20.920 36.328 113.854 1.00 17.97 C +ATOM 10225 CD1 LEU F 37 21.144 37.486 114.870 1.00 12.80 C +ATOM 10226 CD2 LEU F 37 22.165 35.926 113.065 1.00 18.22 C +ATOM 10227 N PRO F 38 20.775 32.004 114.653 1.00 20.68 N +ATOM 10228 CA PRO F 38 20.856 30.774 115.416 1.00 20.78 C +ATOM 10229 C PRO F 38 20.711 30.939 116.932 1.00 19.75 C +ATOM 10230 O PRO F 38 21.208 31.930 117.524 1.00 18.27 O +ATOM 10231 CB PRO F 38 22.247 30.219 115.090 1.00 19.96 C +ATOM 10232 CG PRO F 38 22.854 31.128 114.109 1.00 22.73 C +ATOM 10233 CD PRO F 38 22.019 32.298 113.903 1.00 18.81 C +ATOM 10234 N TYR F 39 20.062 29.934 117.533 1.00 19.27 N +ATOM 10235 CA TYR F 39 20.001 29.758 119.000 1.00 18.87 C +ATOM 10236 C TYR F 39 21.356 29.822 119.669 1.00 18.10 C +ATOM 10237 O TYR F 39 21.459 30.274 120.803 1.00 18.60 O +ATOM 10238 CB TYR F 39 19.343 28.427 119.389 1.00 18.01 C +ATOM 10239 CG TYR F 39 17.837 28.481 119.452 1.00 20.18 C +ATOM 10240 CD1 TYR F 39 17.078 28.361 118.315 1.00 17.22 C +ATOM 10241 CD2 TYR F 39 17.171 28.627 120.669 1.00 17.47 C +ATOM 10242 CE1 TYR F 39 15.680 28.400 118.388 1.00 23.79 C +ATOM 10243 CE2 TYR F 39 15.795 28.676 120.741 1.00 18.99 C +ATOM 10244 CZ TYR F 39 15.053 28.564 119.606 1.00 19.70 C +ATOM 10245 OH TYR F 39 13.659 28.581 119.669 1.00 24.84 O +ATOM 10246 N LEU F 40 22.400 29.395 118.965 1.00 18.18 N +ATOM 10247 CA LEU F 40 23.771 29.419 119.522 1.00 17.30 C +ATOM 10248 C LEU F 40 24.642 30.574 119.075 1.00 17.73 C +ATOM 10249 O LEU F 40 25.832 30.514 119.244 1.00 18.17 O +ATOM 10250 CB LEU F 40 24.473 28.088 119.212 1.00 18.66 C +ATOM 10251 CG LEU F 40 23.944 26.844 119.944 1.00 16.85 C +ATOM 10252 CD1 LEU F 40 24.804 25.639 119.588 1.00 18.53 C +ATOM 10253 CD2 LEU F 40 24.026 27.046 121.448 1.00 17.22 C +ATOM 10254 N THR F 41 24.049 31.634 118.540 1.00 18.59 N +ATOM 10255 CA THR F 41 24.770 32.883 118.155 1.00 18.11 C +ATOM 10256 C THR F 41 25.772 33.351 119.198 1.00 18.60 C +ATOM 10257 O THR F 41 26.889 33.704 118.866 1.00 17.97 O +ATOM 10258 CB THR F 41 23.762 34.035 117.839 1.00 19.33 C +ATOM 10259 OG1 THR F 41 22.898 33.652 116.745 1.00 19.08 O +ATOM 10260 CG2 THR F 41 24.471 35.384 117.530 1.00 17.47 C +ATOM 10261 N ASP F 42 25.393 33.336 120.471 1.00 19.27 N +ATOM 10262 CA ASP F 42 26.279 33.843 121.541 1.00 18.21 C +ATOM 10263 C ASP F 42 27.450 32.946 121.870 1.00 18.11 C +ATOM 10264 O ASP F 42 28.357 33.371 122.561 1.00 17.96 O +ATOM 10265 CB ASP F 42 25.490 34.140 122.824 1.00 19.63 C +ATOM 10266 CG ASP F 42 24.505 35.259 122.657 1.00 20.79 C +ATOM 10267 OD1 ASP F 42 24.517 35.954 121.602 1.00 21.94 O +ATOM 10268 OD2 ASP F 42 23.712 35.452 123.599 1.00 19.48 O +ATOM 10269 N CYS F 43 27.429 31.713 121.377 1.00 18.63 N +ATOM 10270 CA CYS F 43 28.566 30.796 121.446 1.00 19.65 C +ATOM 10271 C CYS F 43 29.443 30.901 120.195 1.00 19.36 C +ATOM 10272 O CYS F 43 30.671 30.926 120.278 1.00 18.47 O +ATOM 10273 CB CYS F 43 28.089 29.338 121.521 1.00 21.95 C +ATOM 10274 SG CYS F 43 27.309 28.770 123.092 1.00 21.68 S +ATOM 10275 N ILE F 44 28.786 30.907 119.044 1.00 18.32 N +ATOM 10276 CA ILE F 44 29.448 30.888 117.750 1.00 18.51 C +ATOM 10277 C ILE F 44 30.331 32.111 117.535 1.00 19.65 C +ATOM 10278 O ILE F 44 31.472 31.969 117.135 1.00 20.38 O +ATOM 10279 CB ILE F 44 28.437 30.819 116.594 1.00 17.24 C +ATOM 10280 CG1 ILE F 44 27.710 29.465 116.588 1.00 20.92 C +ATOM 10281 CG2 ILE F 44 29.123 31.054 115.277 1.00 17.98 C +ATOM 10282 CD1 ILE F 44 26.398 29.400 115.818 1.00 16.29 C +ATOM 10283 N LEU F 45 29.800 33.303 117.791 1.00 18.95 N +ATOM 10284 CA LEU F 45 30.522 34.535 117.515 1.00 18.85 C +ATOM 10285 C LEU F 45 31.805 34.704 118.322 1.00 18.41 C +ATOM 10286 O LEU F 45 32.863 34.951 117.729 1.00 18.72 O +ATOM 10287 CB LEU F 45 29.607 35.741 117.680 1.00 18.91 C +ATOM 10288 CG LEU F 45 28.507 35.783 116.613 1.00 18.95 C +ATOM 10289 CD1 LEU F 45 27.802 37.169 116.584 1.00 18.91 C +ATOM 10290 CD2 LEU F 45 29.101 35.403 115.251 1.00 14.58 C +ATOM 10291 N PRO F 46 31.749 34.559 119.668 1.00 19.00 N +ATOM 10292 CA PRO F 46 33.042 34.616 120.399 1.00 18.47 C +ATOM 10293 C PRO F 46 34.030 33.512 120.090 1.00 18.43 C +ATOM 10294 O PRO F 46 35.213 33.727 120.168 1.00 20.27 O +ATOM 10295 CB PRO F 46 32.611 34.551 121.873 1.00 20.09 C +ATOM 10296 CG PRO F 46 31.214 34.054 121.877 1.00 16.21 C +ATOM 10297 CD PRO F 46 30.606 34.478 120.598 1.00 17.23 C +ATOM 10298 N HIS F 47 33.541 32.312 119.769 1.00 19.96 N +ATOM 10299 CA HIS F 47 34.440 31.232 119.369 1.00 21.17 C +ATOM 10300 C HIS F 47 35.217 31.645 118.101 1.00 19.56 C +ATOM 10301 O HIS F 47 36.445 31.578 118.055 1.00 19.00 O +ATOM 10302 CB HIS F 47 33.673 29.935 119.092 1.00 20.12 C +ATOM 10303 CG HIS F 47 34.549 28.850 118.556 1.00 20.25 C +ATOM 10304 ND1 HIS F 47 34.731 28.634 117.207 1.00 25.86 N +ATOM 10305 CD2 HIS F 47 35.349 27.965 119.190 1.00 20.48 C +ATOM 10306 CE1 HIS F 47 35.576 27.636 117.033 1.00 24.77 C +ATOM 10307 NE2 HIS F 47 35.979 27.223 118.221 1.00 27.39 N +ATOM 10308 N ASP F 48 34.485 32.066 117.077 1.00 20.58 N +ATOM 10309 CA ASP F 48 35.113 32.475 115.793 1.00 21.09 C +ATOM 10310 C ASP F 48 36.057 33.683 115.929 1.00 20.50 C +ATOM 10311 O ASP F 48 37.191 33.663 115.413 1.00 21.78 O +ATOM 10312 CB ASP F 48 34.030 32.717 114.744 1.00 20.72 C +ATOM 10313 CG ASP F 48 33.356 31.424 114.295 1.00 24.84 C +ATOM 10314 OD1 ASP F 48 33.709 30.334 114.836 1.00 29.63 O +ATOM 10315 OD2 ASP F 48 32.448 31.494 113.430 1.00 27.75 O +ATOM 10316 N ILE F 49 35.644 34.712 116.677 1.00 20.09 N +ATOM 10317 CA ILE F 49 36.537 35.841 116.987 1.00 18.71 C +ATOM 10318 C ILE F 49 37.802 35.393 117.722 1.00 19.54 C +ATOM 10319 O ILE F 49 38.920 35.781 117.363 1.00 20.34 O +ATOM 10320 CB ILE F 49 35.813 36.941 117.800 1.00 20.59 C +ATOM 10321 CG1 ILE F 49 34.722 37.594 116.927 1.00 20.43 C +ATOM 10322 CG2 ILE F 49 36.812 37.965 118.358 1.00 19.73 C +ATOM 10323 CD1 ILE F 49 33.708 38.370 117.687 1.00 17.81 C +ATOM 10324 N ALA F 50 37.643 34.577 118.753 1.00 19.75 N +ATOM 10325 CA ALA F 50 38.786 34.157 119.580 1.00 19.08 C +ATOM 10326 C ALA F 50 39.775 33.306 118.808 1.00 18.96 C +ATOM 10327 O ALA F 50 40.994 33.448 118.980 1.00 20.19 O +ATOM 10328 CB ALA F 50 38.301 33.431 120.859 1.00 16.79 C +ATOM 10329 N VAL F 51 39.279 32.418 117.956 1.00 19.74 N +ATOM 10330 CA VAL F 51 40.165 31.599 117.086 1.00 20.72 C +ATOM 10331 C VAL F 51 40.951 32.506 116.122 1.00 20.86 C +ATOM 10332 O VAL F 51 42.183 32.371 115.991 1.00 21.11 O +ATOM 10333 CB VAL F 51 39.377 30.485 116.345 1.00 21.63 C +ATOM 10334 CG1 VAL F 51 40.193 29.862 115.180 1.00 21.87 C +ATOM 10335 CG2 VAL F 51 38.996 29.420 117.318 1.00 16.84 C +ATOM 10336 N GLU F 52 40.261 33.464 115.509 1.00 21.28 N +ATOM 10337 CA GLU F 52 40.920 34.432 114.631 1.00 23.55 C +ATOM 10338 C GLU F 52 42.004 35.230 115.377 1.00 21.51 C +ATOM 10339 O GLU F 52 43.052 35.436 114.856 1.00 22.71 O +ATOM 10340 CB GLU F 52 39.915 35.406 114.040 1.00 22.69 C +ATOM 10341 CG GLU F 52 39.553 35.211 112.589 1.00 33.88 C +ATOM 10342 CD GLU F 52 39.153 36.523 111.919 1.00 31.07 C +ATOM 10343 OE1 GLU F 52 40.078 37.263 111.511 1.00 42.54 O +ATOM 10344 OE2 GLU F 52 37.937 36.829 111.818 1.00 35.09 O +ATOM 10345 N ALA F 53 41.726 35.674 116.598 1.00 21.00 N +ATOM 10346 CA ALA F 53 42.709 36.435 117.374 1.00 19.21 C +ATOM 10347 C ALA F 53 43.862 35.547 117.825 1.00 20.15 C +ATOM 10348 O ALA F 53 45.008 36.014 117.891 1.00 20.64 O +ATOM 10349 CB ALA F 53 42.067 37.140 118.559 1.00 17.80 C +ATOM 10350 N ALA F 54 43.568 34.292 118.160 1.00 20.10 N +ATOM 10351 CA ALA F 54 44.603 33.306 118.517 1.00 21.23 C +ATOM 10352 C ALA F 54 45.560 33.071 117.344 1.00 20.80 C +ATOM 10353 O ALA F 54 46.782 33.000 117.513 1.00 22.40 O +ATOM 10354 CB ALA F 54 43.938 31.923 118.992 1.00 21.24 C +ATOM 10355 N GLU F 55 44.996 32.946 116.154 1.00 22.29 N +ATOM 10356 CA GLU F 55 45.770 32.758 114.945 1.00 24.12 C +ATOM 10357 C GLU F 55 46.654 33.985 114.673 1.00 24.11 C +ATOM 10358 O GLU F 55 47.831 33.851 114.307 1.00 23.77 O +ATOM 10359 CB GLU F 55 44.835 32.512 113.759 1.00 24.10 C +ATOM 10360 CG GLU F 55 44.231 31.112 113.721 1.00 25.19 C +ATOM 10361 CD GLU F 55 43.176 30.928 112.622 1.00 28.62 C +ATOM 10362 OE1 GLU F 55 42.530 31.932 112.188 1.00 35.17 O +ATOM 10363 OE2 GLU F 55 42.971 29.766 112.198 1.00 34.38 O +ATOM 10364 N LEU F 56 46.090 35.176 114.858 1.00 23.68 N +ATOM 10365 CA LEU F 56 46.882 36.400 114.703 1.00 23.34 C +ATOM 10366 C LEU F 56 48.009 36.502 115.715 1.00 24.94 C +ATOM 10367 O LEU F 56 49.128 36.833 115.324 1.00 25.89 O +ATOM 10368 CB LEU F 56 46.009 37.636 114.790 1.00 24.92 C +ATOM 10369 CG LEU F 56 46.673 38.961 114.452 1.00 25.65 C +ATOM 10370 CD1 LEU F 56 47.145 38.943 113.008 1.00 25.81 C +ATOM 10371 CD2 LEU F 56 45.669 40.075 114.738 1.00 22.26 C +ATOM 10372 N ALA F 57 47.740 36.228 116.999 1.00 24.51 N +ATOM 10373 CA ALA F 57 48.790 36.305 118.010 1.00 24.16 C +ATOM 10374 C ALA F 57 49.898 35.303 117.725 1.00 24.96 C +ATOM 10375 O ALA F 57 51.064 35.580 117.977 1.00 26.22 O +ATOM 10376 CB ALA F 57 48.229 36.066 119.425 1.00 24.74 C +ATOM 10377 N LEU F 58 49.529 34.111 117.252 1.00 25.19 N +ATOM 10378 CA LEU F 58 50.520 33.077 116.941 1.00 25.89 C +ATOM 10379 C LEU F 58 51.386 33.486 115.753 1.00 27.05 C +ATOM 10380 O LEU F 58 52.593 33.370 115.836 1.00 27.25 O +ATOM 10381 CB LEU F 58 49.861 31.734 116.647 1.00 26.31 C +ATOM 10382 CG LEU F 58 50.752 30.509 116.401 1.00 27.62 C +ATOM 10383 CD1 LEU F 58 51.701 30.208 117.589 1.00 22.73 C +ATOM 10384 CD2 LEU F 58 49.872 29.321 116.055 1.00 26.01 C +ATOM 10385 N SER F 59 50.782 33.952 114.658 1.00 27.84 N +ATOM 10386 CA SER F 59 51.565 34.258 113.469 1.00 31.19 C +ATOM 10387 C SER F 59 52.448 35.493 113.674 1.00 32.20 C +ATOM 10388 O SER F 59 53.573 35.552 113.167 1.00 34.36 O +ATOM 10389 CB SER F 59 50.673 34.446 112.244 1.00 31.99 C +ATOM 10390 OG SER F 59 49.957 35.685 112.301 1.00 42.02 O +ATOM 10391 N ARG F 60 51.939 36.443 114.452 1.00 31.86 N +ATOM 10392 CA ARG F 60 52.586 37.709 114.742 1.00 32.27 C +ATOM 10393 C ARG F 60 53.660 37.673 115.837 1.00 31.83 C +ATOM 10394 O ARG F 60 54.683 38.342 115.722 1.00 33.14 O +ATOM 10395 CB ARG F 60 51.470 38.669 115.164 1.00 32.78 C +ATOM 10396 CG ARG F 60 51.892 40.042 115.464 1.00 36.97 C +ATOM 10397 CD ARG F 60 50.688 40.981 115.389 1.00 38.11 C +ATOM 10398 NE ARG F 60 50.077 41.206 116.694 1.00 37.41 N +ATOM 10399 CZ ARG F 60 49.011 41.975 116.870 1.00 34.83 C +ATOM 10400 NH1 ARG F 60 48.440 42.560 115.828 1.00 35.95 N +ATOM 10401 NH2 ARG F 60 48.521 42.170 118.091 1.00 38.96 N +ATOM 10402 N SER F 61 53.431 36.918 116.910 1.00 31.12 N +ATOM 10403 CA SER F 61 54.349 36.917 118.069 1.00 32.21 C +ATOM 10404 C SER F 61 54.807 35.565 118.540 1.00 29.28 C +ATOM 10405 O SER F 61 55.601 35.481 119.469 1.00 29.30 O +ATOM 10406 CB SER F 61 53.684 37.580 119.284 1.00 34.47 C +ATOM 10407 OG SER F 61 53.131 38.839 118.948 1.00 47.68 O +ATOM 10408 N GLY F 62 54.284 34.494 117.969 1.00 28.65 N +ATOM 10409 CA GLY F 62 54.587 33.150 118.475 1.00 28.23 C +ATOM 10410 C GLY F 62 53.924 32.851 119.817 1.00 28.18 C +ATOM 10411 O GLY F 62 54.271 31.890 120.498 1.00 30.08 O +ATOM 10412 N VAL F 63 52.966 33.677 120.217 1.00 27.72 N +ATOM 10413 CA VAL F 63 52.216 33.431 121.435 1.00 26.02 C +ATOM 10414 C VAL F 63 51.072 32.492 121.062 1.00 25.10 C +ATOM 10415 O VAL F 63 50.306 32.793 120.160 1.00 24.19 O +ATOM 10416 CB VAL F 63 51.706 34.729 122.063 1.00 26.43 C +ATOM 10417 CG1 VAL F 63 50.671 34.421 123.147 1.00 25.20 C +ATOM 10418 CG2 VAL F 63 52.887 35.511 122.635 1.00 24.97 C +ATOM 10419 N ARG F 64 50.990 31.353 121.756 1.00 24.19 N +ATOM 10420 CA ARG F 64 50.048 30.280 121.429 1.00 23.81 C +ATOM 10421 C ARG F 64 48.961 30.130 122.475 1.00 23.24 C +ATOM 10422 O ARG F 64 49.258 29.804 123.635 1.00 22.77 O +ATOM 10423 CB ARG F 64 50.787 28.942 121.304 1.00 23.86 C +ATOM 10424 CG ARG F 64 49.907 27.875 120.661 1.00 28.23 C +ATOM 10425 CD ARG F 64 50.567 26.506 120.609 1.00 27.84 C +ATOM 10426 NE ARG F 64 51.558 26.436 119.549 1.00 28.30 N +ATOM 10427 CZ ARG F 64 52.877 26.510 119.712 1.00 29.46 C +ATOM 10428 NH1 ARG F 64 53.425 26.663 120.897 1.00 30.47 N +ATOM 10429 NH2 ARG F 64 53.661 26.417 118.654 1.00 33.66 N +ATOM 10430 N CYS F 65 47.711 30.318 122.039 1.00 22.84 N +ATOM 10431 CA CYS F 65 46.552 30.252 122.902 1.00 23.22 C +ATOM 10432 C CYS F 65 45.643 29.098 122.480 1.00 23.01 C +ATOM 10433 O CYS F 65 45.595 28.708 121.302 1.00 23.93 O +ATOM 10434 CB CYS F 65 45.804 31.576 122.843 1.00 23.72 C +ATOM 10435 SG CYS F 65 46.886 33.023 123.178 1.00 27.36 S +HETATM10436 N MSE F 66 44.941 28.527 123.445 1.00 20.92 N +HETATM10437 CA MSE F 66 43.936 27.520 123.128 1.00 19.03 C +HETATM10438 C MSE F 66 42.567 28.107 123.307 1.00 18.71 C +HETATM10439 O MSE F 66 42.238 28.584 124.394 1.00 18.59 O +HETATM10440 CB MSE F 66 44.073 26.322 124.059 1.00 20.56 C +HETATM10441 CG MSE F 66 43.141 25.146 123.727 1.00 20.05 C +HETATM10442 SE MSE F 66 43.091 24.628 121.839 0.75 22.25 SE +HETATM10443 CE MSE F 66 44.311 23.074 121.821 1.00 18.05 C +ATOM 10444 N VAL F 67 41.727 27.978 122.288 1.00 18.84 N +ATOM 10445 CA VAL F 67 40.315 28.295 122.425 1.00 17.74 C +ATOM 10446 C VAL F 67 39.504 27.055 122.785 1.00 19.08 C +ATOM 10447 O VAL F 67 39.430 26.092 122.019 1.00 18.83 O +ATOM 10448 CB VAL F 67 39.758 28.968 121.175 1.00 19.03 C +ATOM 10449 CG1 VAL F 67 38.260 29.396 121.389 1.00 18.29 C +ATOM 10450 CG2 VAL F 67 40.615 30.151 120.806 1.00 17.91 C +HETATM10451 N MSE F 68 38.920 27.093 123.981 1.00 18.27 N +HETATM10452 CA MSE F 68 38.138 26.012 124.488 1.00 18.34 C +HETATM10453 C MSE F 68 36.726 25.919 123.813 1.00 19.18 C +HETATM10454 O MSE F 68 36.289 26.833 123.096 1.00 19.05 O +HETATM10455 CB MSE F 68 37.991 26.149 126.008 1.00 19.60 C +HETATM10456 CG MSE F 68 39.279 26.186 126.793 1.00 18.22 C +HETATM10457 SE MSE F 68 40.270 24.511 126.774 0.75 17.40 SE +HETATM10458 CE MSE F 68 38.914 23.291 127.779 1.00 16.96 C +ATOM 10459 N PRO F 69 36.044 24.776 123.995 1.00 19.36 N +ATOM 10460 CA PRO F 69 34.682 24.727 123.478 1.00 21.59 C +ATOM 10461 C PRO F 69 33.786 25.780 124.142 1.00 21.78 C +ATOM 10462 O PRO F 69 33.864 25.999 125.347 1.00 20.62 O +ATOM 10463 CB PRO F 69 34.239 23.299 123.815 1.00 22.09 C +ATOM 10464 CG PRO F 69 35.511 22.536 123.933 1.00 20.85 C +ATOM 10465 CD PRO F 69 36.430 23.492 124.614 1.00 17.75 C +ATOM 10466 N PRO F 70 32.943 26.439 123.359 1.00 22.51 N +ATOM 10467 CA PRO F 70 32.042 27.421 123.993 1.00 22.16 C +ATOM 10468 C PRO F 70 31.056 26.855 125.058 1.00 21.71 C +ATOM 10469 O PRO F 70 30.553 25.752 124.914 1.00 22.89 O +ATOM 10470 CB PRO F 70 31.306 28.051 122.816 1.00 21.81 C +ATOM 10471 CG PRO F 70 31.725 27.355 121.621 1.00 22.11 C +ATOM 10472 CD PRO F 70 32.759 26.352 121.907 1.00 23.20 C +ATOM 10473 N VAL F 71 30.782 27.625 126.113 1.00 21.01 N +ATOM 10474 CA VAL F 71 29.853 27.194 127.130 1.00 18.16 C +ATOM 10475 C VAL F 71 28.485 27.701 126.698 1.00 17.48 C +ATOM 10476 O VAL F 71 28.292 28.902 126.539 1.00 17.90 O +ATOM 10477 CB VAL F 71 30.239 27.727 128.551 1.00 17.93 C +ATOM 10478 CG1 VAL F 71 29.398 27.065 129.600 1.00 14.12 C +ATOM 10479 CG2 VAL F 71 31.685 27.511 128.845 1.00 14.21 C +ATOM 10480 N PRO F 72 27.502 26.798 126.490 1.00 17.50 N +ATOM 10481 CA PRO F 72 26.240 27.289 125.978 1.00 17.71 C +ATOM 10482 C PRO F 72 25.214 27.631 127.075 1.00 18.07 C +ATOM 10483 O PRO F 72 24.021 27.545 126.820 1.00 21.25 O +ATOM 10484 CB PRO F 72 25.762 26.094 125.164 1.00 19.11 C +ATOM 10485 CG PRO F 72 26.190 24.922 125.997 1.00 20.25 C +ATOM 10486 CD PRO F 72 27.471 25.333 126.682 1.00 16.91 C +ATOM 10487 N PHE F 73 25.675 27.975 128.282 1.00 17.64 N +ATOM 10488 CA PHE F 73 24.791 28.159 129.438 1.00 17.06 C +ATOM 10489 C PHE F 73 24.829 29.618 129.873 1.00 17.52 C +ATOM 10490 O PHE F 73 25.742 30.028 130.609 1.00 17.99 O +ATOM 10491 CB PHE F 73 25.157 27.205 130.587 1.00 16.89 C +ATOM 10492 CG PHE F 73 25.000 25.765 130.227 1.00 21.58 C +ATOM 10493 CD1 PHE F 73 23.732 25.222 130.039 1.00 22.28 C +ATOM 10494 CD2 PHE F 73 26.092 24.952 130.037 1.00 15.40 C +ATOM 10495 CE1 PHE F 73 23.578 23.918 129.622 1.00 20.55 C +ATOM 10496 CE2 PHE F 73 25.932 23.620 129.638 1.00 18.87 C +ATOM 10497 CZ PHE F 73 24.672 23.116 129.423 1.00 17.23 C +ATOM 10498 N GLY F 74 23.818 30.364 129.399 1.00 17.73 N +ATOM 10499 CA GLY F 74 23.618 31.785 129.672 1.00 17.37 C +ATOM 10500 C GLY F 74 22.630 32.064 130.781 1.00 16.86 C +ATOM 10501 O GLY F 74 21.886 31.186 131.160 1.00 16.76 O +ATOM 10502 N ALA F 75 22.716 33.268 131.353 1.00 16.80 N +ATOM 10503 CA ALA F 75 21.772 33.819 132.311 1.00 16.92 C +ATOM 10504 C ALA F 75 20.802 34.706 131.538 1.00 18.39 C +ATOM 10505 O ALA F 75 21.223 35.697 130.889 1.00 19.93 O +ATOM 10506 CB ALA F 75 22.512 34.664 133.349 1.00 17.58 C +ATOM 10507 N HIS F 76 19.511 34.409 131.684 1.00 19.36 N +ATOM 10508 CA HIS F 76 18.449 35.035 130.880 1.00 19.61 C +ATOM 10509 C HIS F 76 17.411 35.792 131.679 1.00 20.69 C +ATOM 10510 O HIS F 76 17.405 35.736 132.916 1.00 20.06 O +ATOM 10511 CB HIS F 76 17.798 33.967 130.005 1.00 20.41 C +ATOM 10512 CG HIS F 76 18.739 33.461 128.981 1.00 18.05 C +ATOM 10513 ND1 HIS F 76 19.237 34.277 127.993 1.00 20.78 N +ATOM 10514 CD2 HIS F 76 19.400 32.289 128.873 1.00 23.48 C +ATOM 10515 CE1 HIS F 76 20.110 33.600 127.271 1.00 24.07 C +ATOM 10516 NE2 HIS F 76 20.229 32.393 127.785 1.00 20.46 N +ATOM 10517 N ASN F 77 16.564 36.535 130.954 1.00 20.28 N +ATOM 10518 CA ASN F 77 15.640 37.459 131.577 1.00 20.95 C +ATOM 10519 C ASN F 77 14.252 36.891 131.720 1.00 21.95 C +ATOM 10520 O ASN F 77 13.887 35.915 131.056 1.00 21.92 O +ATOM 10521 CB ASN F 77 15.525 38.759 130.744 1.00 21.84 C +ATOM 10522 CG ASN F 77 16.683 39.684 130.929 1.00 22.85 C +ATOM 10523 OD1 ASN F 77 17.775 39.254 131.251 1.00 26.14 O +ATOM 10524 ND2 ASN F 77 16.461 40.968 130.687 1.00 20.17 N +ATOM 10525 N PRO F 78 13.434 37.566 132.538 1.00 23.31 N +ATOM 10526 CA PRO F 78 12.029 37.219 132.573 1.00 23.08 C +ATOM 10527 C PRO F 78 11.374 37.276 131.183 1.00 23.02 C +ATOM 10528 O PRO F 78 11.646 38.179 130.387 1.00 22.66 O +ATOM 10529 CB PRO F 78 11.431 38.278 133.508 1.00 23.99 C +ATOM 10530 CG PRO F 78 12.585 38.741 134.346 1.00 24.32 C +ATOM 10531 CD PRO F 78 13.758 38.697 133.436 1.00 22.25 C +ATOM 10532 N GLY F 79 10.536 36.289 130.899 1.00 21.97 N +ATOM 10533 CA GLY F 79 9.904 36.160 129.602 1.00 23.61 C +ATOM 10534 C GLY F 79 10.698 35.370 128.567 1.00 23.85 C +ATOM 10535 O GLY F 79 10.113 34.951 127.576 1.00 26.06 O +ATOM 10536 N GLN F 80 12.001 35.193 128.765 1.00 22.76 N +ATOM 10537 CA GLN F 80 12.821 34.423 127.820 1.00 23.74 C +ATOM 10538 C GLN F 80 12.786 32.931 128.072 1.00 24.61 C +ATOM 10539 O GLN F 80 12.944 32.151 127.140 1.00 24.86 O +ATOM 10540 CB GLN F 80 14.295 34.824 127.858 1.00 23.61 C +ATOM 10541 CG GLN F 80 14.633 36.202 127.260 1.00 23.90 C +ATOM 10542 CD GLN F 80 16.128 36.409 127.108 1.00 24.13 C +ATOM 10543 OE1 GLN F 80 16.855 36.605 128.083 1.00 25.32 O +ATOM 10544 NE2 GLN F 80 16.595 36.348 125.873 1.00 22.47 N +ATOM 10545 N ARG F 81 12.663 32.531 129.331 1.00 24.47 N +ATOM 10546 CA ARG F 81 12.691 31.126 129.684 1.00 26.42 C +ATOM 10547 C ARG F 81 11.513 30.350 129.041 1.00 26.22 C +ATOM 10548 O ARG F 81 11.656 29.187 128.674 1.00 27.28 O +ATOM 10549 CB ARG F 81 12.684 31.030 131.213 1.00 27.19 C +ATOM 10550 CG ARG F 81 13.001 29.670 131.798 1.00 29.88 C +ATOM 10551 CD ARG F 81 13.029 29.713 133.338 1.00 30.20 C +ATOM 10552 NE ARG F 81 11.787 30.212 133.951 1.00 34.73 N +ATOM 10553 CZ ARG F 81 11.382 29.918 135.198 1.00 36.71 C +ATOM 10554 NH1 ARG F 81 12.081 29.123 135.994 1.00 31.31 N +ATOM 10555 NH2 ARG F 81 10.240 30.409 135.661 1.00 39.36 N +ATOM 10556 N GLU F 82 10.367 31.012 128.888 1.00 26.81 N +ATOM 10557 CA GLU F 82 9.197 30.438 128.256 1.00 29.71 C +ATOM 10558 C GLU F 82 9.322 30.300 126.726 1.00 26.94 C +ATOM 10559 O GLU F 82 8.522 29.606 126.099 1.00 25.79 O +ATOM 10560 CB GLU F 82 7.951 31.269 128.604 1.00 32.64 C +ATOM 10561 CG GLU F 82 7.860 32.624 127.889 1.00 36.65 C +ATOM 10562 CD GLU F 82 6.904 33.609 128.571 1.00 40.04 C +ATOM 10563 OE1 GLU F 82 7.318 34.259 129.564 1.00 55.43 O +ATOM 10564 OE2 GLU F 82 5.746 33.741 128.110 1.00 50.78 O +ATOM 10565 N LEU F 83 10.319 30.936 126.114 1.00 24.83 N +ATOM 10566 CA LEU F 83 10.514 30.751 124.675 1.00 24.27 C +ATOM 10567 C LEU F 83 11.156 29.377 124.446 1.00 23.37 C +ATOM 10568 O LEU F 83 12.104 29.017 125.142 1.00 21.57 O +ATOM 10569 CB LEU F 83 11.370 31.873 124.074 1.00 24.96 C +ATOM 10570 CG LEU F 83 10.846 33.316 124.075 1.00 29.27 C +ATOM 10571 CD1 LEU F 83 11.972 34.307 123.687 1.00 20.63 C +ATOM 10572 CD2 LEU F 83 9.585 33.539 123.195 1.00 26.90 C +ATOM 10573 N PRO F 84 10.665 28.621 123.454 1.00 23.13 N +ATOM 10574 CA PRO F 84 11.099 27.249 123.292 1.00 22.61 C +ATOM 10575 C PRO F 84 12.606 27.114 123.089 1.00 21.37 C +ATOM 10576 O PRO F 84 13.196 27.815 122.264 1.00 20.99 O +ATOM 10577 CB PRO F 84 10.315 26.760 122.069 1.00 23.04 C +ATOM 10578 CG PRO F 84 9.911 28.005 121.340 1.00 24.12 C +ATOM 10579 CD PRO F 84 9.731 29.035 122.387 1.00 24.45 C +ATOM 10580 N PHE F 85 13.187 26.213 123.884 1.00 21.30 N +ATOM 10581 CA PHE F 85 14.583 25.811 123.842 1.00 20.65 C +ATOM 10582 C PHE F 85 15.574 26.830 124.401 1.00 20.47 C +ATOM 10583 O PHE F 85 16.765 26.628 124.318 1.00 21.48 O +ATOM 10584 CB PHE F 85 14.986 25.385 122.433 1.00 20.78 C +ATOM 10585 CG PHE F 85 13.980 24.504 121.772 1.00 20.30 C +ATOM 10586 CD1 PHE F 85 13.593 23.320 122.369 1.00 24.23 C +ATOM 10587 CD2 PHE F 85 13.383 24.879 120.576 1.00 19.79 C +ATOM 10588 CE1 PHE F 85 12.652 22.519 121.776 1.00 22.47 C +ATOM 10589 CE2 PHE F 85 12.457 24.088 119.991 1.00 21.26 C +ATOM 10590 CZ PHE F 85 12.094 22.896 120.578 1.00 18.50 C +ATOM 10591 N CYS F 86 15.072 27.904 124.992 1.00 20.75 N +ATOM 10592 CA CYS F 86 15.928 28.855 125.692 1.00 21.08 C +ATOM 10593 C CYS F 86 16.223 28.254 127.075 1.00 21.55 C +ATOM 10594 O CYS F 86 15.289 27.770 127.737 1.00 23.11 O +ATOM 10595 CB CYS F 86 15.217 30.192 125.802 1.00 22.56 C +ATOM 10596 SG CYS F 86 16.106 31.386 126.710 1.00 20.53 S +ATOM 10597 N ILE F 87 17.491 28.225 127.480 1.00 19.00 N +ATOM 10598 CA ILE F 87 17.879 27.592 128.728 1.00 19.58 C +ATOM 10599 C ILE F 87 18.462 28.620 129.705 1.00 18.92 C +ATOM 10600 O ILE F 87 19.601 29.082 129.508 1.00 19.17 O +ATOM 10601 CB ILE F 87 18.939 26.433 128.535 1.00 19.22 C +ATOM 10602 CG1 ILE F 87 18.420 25.344 127.569 1.00 20.72 C +ATOM 10603 CG2 ILE F 87 19.288 25.831 129.871 1.00 15.89 C +ATOM 10604 CD1 ILE F 87 16.943 24.775 127.883 1.00 17.37 C +ATOM 10605 N HIS F 88 17.714 28.957 130.767 1.00 18.54 N +ATOM 10606 CA HIS F 88 18.244 29.869 131.787 1.00 18.07 C +ATOM 10607 C HIS F 88 19.175 29.068 132.698 1.00 17.22 C +ATOM 10608 O HIS F 88 18.818 28.009 133.220 1.00 17.74 O +ATOM 10609 CB HIS F 88 17.137 30.601 132.583 1.00 16.64 C +ATOM 10610 CG HIS F 88 17.663 31.367 133.753 1.00 18.99 C +ATOM 10611 ND1 HIS F 88 18.461 32.487 133.615 1.00 19.33 N +ATOM 10612 CD2 HIS F 88 17.555 31.144 135.084 1.00 19.31 C +ATOM 10613 CE1 HIS F 88 18.822 32.917 134.809 1.00 19.55 C +ATOM 10614 NE2 HIS F 88 18.311 32.101 135.715 1.00 18.13 N +ATOM 10615 N THR F 89 20.360 29.598 132.921 1.00 17.26 N +ATOM 10616 CA THR F 89 21.284 29.016 133.853 1.00 17.14 C +ATOM 10617 C THR F 89 21.407 29.904 135.082 1.00 16.63 C +ATOM 10618 O THR F 89 21.671 31.099 134.952 1.00 17.28 O +ATOM 10619 CB THR F 89 22.664 28.878 133.182 1.00 16.55 C +ATOM 10620 OG1 THR F 89 22.465 28.435 131.830 1.00 17.89 O +ATOM 10621 CG2 THR F 89 23.499 27.912 133.919 1.00 15.00 C +ATOM 10622 N ARG F 90 21.255 29.319 136.269 1.00 14.75 N +ATOM 10623 CA ARG F 90 21.494 30.048 137.524 1.00 15.76 C +ATOM 10624 C ARG F 90 22.965 30.409 137.670 1.00 16.92 C +ATOM 10625 O ARG F 90 23.851 29.674 137.219 1.00 16.17 O +ATOM 10626 CB ARG F 90 21.060 29.256 138.753 1.00 15.73 C +ATOM 10627 CG ARG F 90 19.569 29.069 138.946 1.00 18.89 C +ATOM 10628 CD ARG F 90 19.272 27.971 139.964 1.00 18.91 C +ATOM 10629 NE ARG F 90 19.742 26.668 139.493 1.00 23.94 N +ATOM 10630 CZ ARG F 90 19.627 25.518 140.149 1.00 26.39 C +ATOM 10631 NH1 ARG F 90 19.067 25.484 141.333 1.00 28.99 N +ATOM 10632 NH2 ARG F 90 20.077 24.389 139.614 1.00 24.94 N +ATOM 10633 N TYR F 91 23.222 31.542 138.322 1.00 17.63 N +ATOM 10634 CA TYR F 91 24.589 32.003 138.578 1.00 17.44 C +ATOM 10635 C TYR F 91 25.418 30.917 139.269 1.00 15.46 C +ATOM 10636 O TYR F 91 26.583 30.773 138.988 1.00 17.62 O +ATOM 10637 CB TYR F 91 24.553 33.278 139.448 1.00 18.77 C +ATOM 10638 CG TYR F 91 25.892 34.020 139.582 1.00 20.00 C +ATOM 10639 CD1 TYR F 91 26.920 33.564 140.449 1.00 22.59 C +ATOM 10640 CD2 TYR F 91 26.136 35.164 138.844 1.00 23.92 C +ATOM 10641 CE1 TYR F 91 28.150 34.243 140.553 1.00 20.01 C +ATOM 10642 CE2 TYR F 91 27.356 35.856 138.966 1.00 24.71 C +ATOM 10643 CZ TYR F 91 28.338 35.387 139.822 1.00 23.51 C +ATOM 10644 OH TYR F 91 29.513 36.082 139.887 1.00 30.99 O +ATOM 10645 N ALA F 92 24.829 30.188 140.222 1.00 16.54 N +ATOM 10646 CA ALA F 92 25.547 29.144 140.971 1.00 15.86 C +ATOM 10647 C ALA F 92 25.975 28.007 140.064 1.00 15.26 C +ATOM 10648 O ALA F 92 27.028 27.387 140.253 1.00 16.06 O +ATOM 10649 CB ALA F 92 24.685 28.614 142.150 1.00 15.57 C +ATOM 10650 N THR F 93 25.163 27.724 139.067 1.00 15.71 N +ATOM 10651 CA THR F 93 25.436 26.665 138.119 1.00 14.41 C +ATOM 10652 C THR F 93 26.619 27.086 137.273 1.00 15.64 C +ATOM 10653 O THR F 93 27.509 26.287 137.034 1.00 15.35 O +ATOM 10654 CB THR F 93 24.217 26.398 137.204 1.00 12.83 C +ATOM 10655 OG1 THR F 93 23.097 26.017 137.997 1.00 14.64 O +ATOM 10656 CG2 THR F 93 24.531 25.297 136.158 1.00 12.30 C +ATOM 10657 N GLN F 94 26.600 28.340 136.803 1.00 16.58 N +ATOM 10658 CA GLN F 94 27.715 28.911 136.025 1.00 15.59 C +ATOM 10659 C GLN F 94 28.983 28.887 136.844 1.00 15.55 C +ATOM 10660 O GLN F 94 30.035 28.541 136.364 1.00 15.23 O +ATOM 10661 CB GLN F 94 27.420 30.336 135.565 1.00 14.53 C +ATOM 10662 CG GLN F 94 26.293 30.446 134.547 1.00 17.24 C +ATOM 10663 CD GLN F 94 26.064 31.864 134.061 1.00 16.58 C +ATOM 10664 OE1 GLN F 94 25.957 32.800 134.848 1.00 23.33 O +ATOM 10665 NE2 GLN F 94 25.954 32.020 132.767 1.00 15.97 N +ATOM 10666 N GLN F 95 28.871 29.258 138.104 1.00 17.09 N +ATOM 10667 CA GLN F 95 30.051 29.320 138.953 1.00 16.74 C +ATOM 10668 C GLN F 95 30.624 27.923 139.144 1.00 15.18 C +ATOM 10669 O GLN F 95 31.820 27.738 139.154 1.00 17.23 O +ATOM 10670 CB GLN F 95 29.704 29.985 140.276 1.00 15.80 C +ATOM 10671 CG GLN F 95 30.857 30.071 141.242 1.00 22.35 C +ATOM 10672 CD GLN F 95 30.494 30.800 142.530 1.00 25.93 C +ATOM 10673 OE1 GLN F 95 30.098 31.968 142.511 1.00 35.41 O +ATOM 10674 NE2 GLN F 95 30.668 30.117 143.664 1.00 39.39 N +ATOM 10675 N ALA F 96 29.778 26.932 139.300 1.00 15.65 N +ATOM 10676 CA ALA F 96 30.225 25.560 139.421 1.00 15.54 C +ATOM 10677 C ALA F 96 30.975 25.130 138.172 1.00 16.35 C +ATOM 10678 O ALA F 96 31.981 24.461 138.272 1.00 14.42 O +ATOM 10679 CB ALA F 96 29.032 24.612 139.670 1.00 13.48 C +ATOM 10680 N ILE F 97 30.466 25.515 136.995 1.00 16.35 N +ATOM 10681 CA ILE F 97 31.120 25.225 135.720 1.00 14.92 C +ATOM 10682 C ILE F 97 32.531 25.817 135.685 1.00 15.85 C +ATOM 10683 O ILE F 97 33.496 25.089 135.421 1.00 15.69 O +ATOM 10684 CB ILE F 97 30.282 25.729 134.500 1.00 17.71 C +ATOM 10685 CG1 ILE F 97 29.015 24.857 134.332 1.00 19.28 C +ATOM 10686 CG2 ILE F 97 31.123 25.676 133.220 1.00 13.09 C +ATOM 10687 CD1 ILE F 97 27.923 25.485 133.446 1.00 12.24 C +ATOM 10688 N LEU F 98 32.643 27.120 135.965 1.00 16.34 N +ATOM 10689 CA LEU F 98 33.946 27.822 135.935 1.00 16.82 C +ATOM 10690 C LEU F 98 34.913 27.263 136.975 1.00 17.33 C +ATOM 10691 O LEU F 98 36.095 27.101 136.699 1.00 18.25 O +ATOM 10692 CB LEU F 98 33.774 29.329 136.166 1.00 18.38 C +ATOM 10693 CG LEU F 98 35.007 30.248 136.055 1.00 16.82 C +ATOM 10694 CD1 LEU F 98 35.690 30.095 134.682 1.00 13.48 C +ATOM 10695 CD2 LEU F 98 34.621 31.669 136.295 1.00 13.46 C +ATOM 10696 N GLU F 99 34.420 26.958 138.169 1.00 18.17 N +ATOM 10697 CA GLU F 99 35.216 26.243 139.174 1.00 18.05 C +ATOM 10698 C GLU F 99 35.811 24.975 138.619 1.00 17.84 C +ATOM 10699 O GLU F 99 36.996 24.710 138.812 1.00 17.07 O +ATOM 10700 CB GLU F 99 34.371 25.926 140.426 1.00 18.96 C +ATOM 10701 CG GLU F 99 34.082 27.208 141.238 1.00 21.28 C +ATOM 10702 CD GLU F 99 33.161 27.018 142.434 1.00 23.74 C +ATOM 10703 OE1 GLU F 99 32.511 25.971 142.517 1.00 20.62 O +ATOM 10704 OE2 GLU F 99 33.105 27.955 143.281 1.00 27.26 O +ATOM 10705 N ASP F 100 34.998 24.178 137.920 1.00 16.73 N +ATOM 10706 CA ASP F 100 35.486 22.890 137.412 1.00 17.05 C +ATOM 10707 C ASP F 100 36.503 23.083 136.283 1.00 17.48 C +ATOM 10708 O ASP F 100 37.479 22.362 136.226 1.00 18.80 O +ATOM 10709 CB ASP F 100 34.336 21.953 136.996 1.00 18.10 C +ATOM 10710 CG ASP F 100 33.552 21.408 138.194 1.00 20.74 C +ATOM 10711 OD1 ASP F 100 33.979 21.577 139.344 1.00 21.21 O +ATOM 10712 OD2 ASP F 100 32.492 20.816 137.984 1.00 22.09 O +ATOM 10713 N ILE F 101 36.300 24.076 135.430 1.00 17.27 N +ATOM 10714 CA ILE F 101 37.215 24.377 134.336 1.00 16.04 C +ATOM 10715 C ILE F 101 38.562 24.851 134.876 1.00 16.68 C +ATOM 10716 O ILE F 101 39.609 24.361 134.450 1.00 18.33 O +ATOM 10717 CB ILE F 101 36.612 25.455 133.351 1.00 17.19 C +ATOM 10718 CG1 ILE F 101 35.370 24.872 132.667 1.00 17.66 C +ATOM 10719 CG2 ILE F 101 37.699 25.960 132.328 1.00 14.02 C +ATOM 10720 CD1 ILE F 101 34.565 25.851 131.830 1.00 14.27 C +ATOM 10721 N VAL F 102 38.531 25.776 135.825 1.00 17.01 N +ATOM 10722 CA VAL F 102 39.742 26.348 136.419 1.00 17.47 C +ATOM 10723 C VAL F 102 40.540 25.315 137.238 1.00 18.16 C +ATOM 10724 O VAL F 102 41.759 25.237 137.128 1.00 19.25 O +ATOM 10725 CB VAL F 102 39.401 27.567 137.305 1.00 18.96 C +ATOM 10726 CG1 VAL F 102 40.616 27.990 138.148 1.00 16.06 C +ATOM 10727 CG2 VAL F 102 38.888 28.717 136.441 1.00 18.36 C +ATOM 10728 N SER F 103 39.845 24.519 138.041 1.00 16.95 N +ATOM 10729 CA SER F 103 40.462 23.430 138.752 1.00 16.10 C +ATOM 10730 C SER F 103 41.275 22.534 137.824 1.00 18.40 C +ATOM 10731 O SER F 103 42.438 22.204 138.130 1.00 19.53 O +ATOM 10732 CB SER F 103 39.392 22.594 139.480 1.00 15.45 C +ATOM 10733 OG SER F 103 39.987 21.517 140.178 1.00 23.26 O +ATOM 10734 N SER F 104 40.642 22.097 136.738 1.00 18.00 N +ATOM 10735 CA SER F 104 41.302 21.249 135.729 1.00 18.09 C +ATOM 10736 C SER F 104 42.476 21.936 135.057 1.00 17.33 C +ATOM 10737 O SER F 104 43.592 21.428 135.087 1.00 17.52 O +ATOM 10738 CB SER F 104 40.293 20.790 134.682 1.00 18.62 C +ATOM 10739 OG SER F 104 39.444 19.804 135.234 1.00 20.65 O +ATOM 10740 N LEU F 105 42.244 23.121 134.507 1.00 17.76 N +ATOM 10741 CA LEU F 105 43.334 23.887 133.878 1.00 17.56 C +ATOM 10742 C LEU F 105 44.512 24.158 134.845 1.00 18.78 C +ATOM 10743 O LEU F 105 45.667 24.146 134.463 1.00 18.29 O +ATOM 10744 CB LEU F 105 42.824 25.209 133.316 1.00 15.69 C +ATOM 10745 CG LEU F 105 41.756 25.210 132.217 1.00 17.10 C +ATOM 10746 CD1 LEU F 105 41.374 26.632 131.930 1.00 13.93 C +ATOM 10747 CD2 LEU F 105 42.205 24.535 130.950 1.00 12.56 C +ATOM 10748 N HIS F 106 44.209 24.411 136.110 1.00 19.89 N +ATOM 10749 CA HIS F 106 45.261 24.634 137.091 1.00 21.30 C +ATOM 10750 C HIS F 106 46.106 23.378 137.324 1.00 21.12 C +ATOM 10751 O HIS F 106 47.325 23.462 137.411 1.00 22.71 O +ATOM 10752 CB HIS F 106 44.662 25.133 138.419 1.00 23.64 C +ATOM 10753 CG HIS F 106 45.688 25.675 139.366 1.00 21.97 C +ATOM 10754 ND1 HIS F 106 46.431 24.860 140.188 1.00 24.61 N +ATOM 10755 CD2 HIS F 106 46.121 26.937 139.589 1.00 24.13 C +ATOM 10756 CE1 HIS F 106 47.269 25.598 140.888 1.00 27.29 C +ATOM 10757 NE2 HIS F 106 47.105 26.860 140.538 1.00 25.36 N +ATOM 10758 N VAL F 107 45.468 22.219 137.462 1.00 21.83 N +ATOM 10759 CA VAL F 107 46.185 20.957 137.605 1.00 22.34 C +ATOM 10760 C VAL F 107 47.107 20.737 136.399 1.00 22.37 C +ATOM 10761 O VAL F 107 48.206 20.169 136.524 1.00 22.44 O +ATOM 10762 CB VAL F 107 45.195 19.777 137.727 1.00 26.30 C +ATOM 10763 CG1 VAL F 107 45.842 18.437 137.361 1.00 28.71 C +ATOM 10764 CG2 VAL F 107 44.613 19.733 139.118 1.00 30.28 C +ATOM 10765 N GLN F 108 46.652 21.171 135.230 1.00 21.46 N +ATOM 10766 CA GLN F 108 47.400 20.981 133.978 1.00 21.77 C +ATOM 10767 C GLN F 108 48.600 21.913 133.816 1.00 23.08 C +ATOM 10768 O GLN F 108 49.360 21.727 132.885 1.00 23.44 O +ATOM 10769 CB GLN F 108 46.472 21.127 132.761 1.00 21.83 C +ATOM 10770 CG GLN F 108 45.389 20.061 132.723 1.00 18.55 C +ATOM 10771 CD GLN F 108 44.187 20.459 131.901 1.00 16.49 C +ATOM 10772 OE1 GLN F 108 44.229 21.393 131.107 1.00 20.68 O +ATOM 10773 NE2 GLN F 108 43.110 19.743 132.089 1.00 16.69 N +ATOM 10774 N GLY F 109 48.723 22.926 134.689 1.00 22.86 N +ATOM 10775 CA GLY F 109 49.855 23.872 134.696 1.00 22.15 C +ATOM 10776 C GLY F 109 49.546 25.251 134.141 1.00 22.17 C +ATOM 10777 O GLY F 109 50.410 26.139 134.142 1.00 21.67 O +ATOM 10778 N PHE F 110 48.309 25.457 133.694 1.00 21.02 N +ATOM 10779 CA PHE F 110 47.921 26.733 133.113 1.00 19.71 C +ATOM 10780 C PHE F 110 47.625 27.736 134.200 1.00 20.26 C +ATOM 10781 O PHE F 110 47.168 27.370 135.285 1.00 21.34 O +ATOM 10782 CB PHE F 110 46.705 26.565 132.173 1.00 21.95 C +ATOM 10783 CG PHE F 110 46.979 25.633 131.048 1.00 17.82 C +ATOM 10784 CD1 PHE F 110 47.951 25.951 130.103 1.00 21.47 C +ATOM 10785 CD2 PHE F 110 46.329 24.408 130.954 1.00 20.32 C +ATOM 10786 CE1 PHE F 110 48.240 25.091 129.075 1.00 19.70 C +ATOM 10787 CE2 PHE F 110 46.648 23.521 129.921 1.00 20.72 C +ATOM 10788 CZ PHE F 110 47.600 23.877 128.984 1.00 22.44 C +ATOM 10789 N ARG F 111 47.872 29.003 133.894 1.00 19.84 N +ATOM 10790 CA ARG F 111 47.745 30.081 134.861 1.00 21.33 C +ATOM 10791 C ARG F 111 47.122 31.335 134.335 1.00 20.47 C +ATOM 10792 O ARG F 111 47.093 32.296 135.061 1.00 21.20 O +ATOM 10793 CB ARG F 111 49.129 30.445 135.413 1.00 20.84 C +ATOM 10794 CG ARG F 111 49.837 29.292 136.093 1.00 21.05 C +ATOM 10795 CD ARG F 111 49.080 28.876 137.370 1.00 22.73 C +ATOM 10796 NE ARG F 111 49.755 27.836 138.141 1.00 21.89 N +ATOM 10797 CZ ARG F 111 49.548 26.535 138.008 1.00 20.48 C +ATOM 10798 NH1 ARG F 111 48.693 26.067 137.113 1.00 22.55 N +ATOM 10799 NH2 ARG F 111 50.206 25.683 138.766 1.00 19.79 N +ATOM 10800 N LYS F 112 46.627 31.360 133.105 1.00 19.59 N +ATOM 10801 CA LYS F 112 46.037 32.551 132.528 1.00 20.24 C +ATOM 10802 C LYS F 112 44.841 32.168 131.662 1.00 19.92 C +ATOM 10803 O LYS F 112 44.962 31.310 130.748 1.00 19.65 O +ATOM 10804 CB LYS F 112 47.066 33.258 131.652 1.00 21.77 C +ATOM 10805 CG LYS F 112 48.261 33.707 132.421 1.00 27.22 C +ATOM 10806 CD LYS F 112 49.291 34.326 131.535 1.00 35.64 C +ATOM 10807 CE LYS F 112 50.401 34.965 132.375 1.00 39.51 C +ATOM 10808 NZ LYS F 112 51.601 35.197 131.510 1.00 42.87 N +ATOM 10809 N LEU F 113 43.699 32.800 131.937 1.00 18.84 N +ATOM 10810 CA LEU F 113 42.459 32.485 131.246 1.00 18.64 C +ATOM 10811 C LEU F 113 41.719 33.754 130.928 1.00 17.92 C +ATOM 10812 O LEU F 113 41.595 34.628 131.779 1.00 19.13 O +ATOM 10813 CB LEU F 113 41.575 31.573 132.147 1.00 19.99 C +ATOM 10814 CG LEU F 113 40.149 31.219 131.724 1.00 15.90 C +ATOM 10815 CD1 LEU F 113 40.080 30.302 130.483 1.00 11.93 C +ATOM 10816 CD2 LEU F 113 39.371 30.580 132.902 1.00 18.03 C +ATOM 10817 N LEU F 114 41.217 33.867 129.700 1.00 18.23 N +ATOM 10818 CA LEU F 114 40.270 34.913 129.348 1.00 17.17 C +ATOM 10819 C LEU F 114 38.935 34.279 129.059 1.00 17.42 C +ATOM 10820 O LEU F 114 38.855 33.383 128.224 1.00 18.38 O +ATOM 10821 CB LEU F 114 40.721 35.698 128.127 1.00 17.92 C +ATOM 10822 CG LEU F 114 39.707 36.751 127.655 1.00 18.73 C +ATOM 10823 CD1 LEU F 114 39.722 37.917 128.619 1.00 16.44 C +ATOM 10824 CD2 LEU F 114 39.919 37.177 126.236 1.00 18.35 C +ATOM 10825 N ILE F 115 37.897 34.766 129.734 1.00 17.13 N +ATOM 10826 CA ILE F 115 36.514 34.432 129.409 1.00 17.69 C +ATOM 10827 C ILE F 115 36.006 35.444 128.383 1.00 18.40 C +ATOM 10828 O ILE F 115 35.932 36.622 128.684 1.00 17.72 O +ATOM 10829 CB ILE F 115 35.565 34.441 130.657 1.00 18.57 C +ATOM 10830 CG1 ILE F 115 36.105 33.506 131.763 1.00 19.55 C +ATOM 10831 CG2 ILE F 115 34.172 34.023 130.233 1.00 12.55 C +ATOM 10832 CD1 ILE F 115 35.542 33.754 133.167 1.00 17.83 C +ATOM 10833 N LEU F 116 35.728 34.977 127.156 1.00 17.59 N +ATOM 10834 CA LEU F 116 35.206 35.847 126.111 1.00 17.14 C +ATOM 10835 C LEU F 116 33.710 35.568 125.933 1.00 17.62 C +ATOM 10836 O LEU F 116 33.309 34.563 125.331 1.00 17.45 O +ATOM 10837 CB LEU F 116 35.971 35.648 124.786 1.00 16.58 C +ATOM 10838 CG LEU F 116 35.648 36.621 123.636 1.00 18.46 C +ATOM 10839 CD1 LEU F 116 35.900 38.082 124.025 1.00 14.28 C +ATOM 10840 CD2 LEU F 116 36.432 36.263 122.384 1.00 16.13 C +ATOM 10841 N SER F 117 32.889 36.455 126.481 1.00 18.14 N +ATOM 10842 CA SER F 117 31.464 36.241 126.485 1.00 18.54 C +ATOM 10843 C SER F 117 30.810 36.774 125.209 1.00 20.34 C +ATOM 10844 O SER F 117 31.168 37.808 124.680 1.00 20.31 O +ATOM 10845 CB SER F 117 30.794 36.866 127.728 1.00 16.74 C +ATOM 10846 OG SER F 117 29.404 36.509 127.797 1.00 19.25 O +ATOM 10847 N GLY F 118 29.793 36.043 124.756 1.00 21.35 N +ATOM 10848 CA GLY F 118 28.940 36.458 123.659 1.00 20.36 C +ATOM 10849 C GLY F 118 27.592 36.923 124.131 1.00 19.94 C +ATOM 10850 O GLY F 118 26.796 37.357 123.320 1.00 21.28 O +ATOM 10851 N HIS F 119 27.335 36.857 125.433 1.00 19.62 N +ATOM 10852 CA HIS F 119 26.021 37.169 125.971 1.00 21.22 C +ATOM 10853 C HIS F 119 26.114 38.212 127.106 1.00 22.11 C +ATOM 10854 O HIS F 119 26.760 37.996 128.106 1.00 23.46 O +ATOM 10855 CB HIS F 119 25.355 35.865 126.406 1.00 18.81 C +ATOM 10856 CG HIS F 119 24.043 36.036 127.103 1.00 21.97 C +ATOM 10857 ND1 HIS F 119 22.975 36.694 126.537 1.00 22.71 N +ATOM 10858 CD2 HIS F 119 23.624 35.620 128.326 1.00 21.29 C +ATOM 10859 CE1 HIS F 119 21.958 36.682 127.382 1.00 25.13 C +ATOM 10860 NE2 HIS F 119 22.331 36.050 128.481 1.00 21.11 N +ATOM 10861 N GLY F 120 25.477 39.358 126.918 1.00 22.80 N +ATOM 10862 CA GLY F 120 25.535 40.446 127.896 1.00 22.85 C +ATOM 10863 C GLY F 120 24.862 40.158 129.239 1.00 23.37 C +ATOM 10864 O GLY F 120 25.153 40.816 130.222 1.00 24.76 O +ATOM 10865 N GLY F 121 23.984 39.154 129.270 1.00 23.67 N +ATOM 10866 CA GLY F 121 23.370 38.630 130.487 1.00 22.90 C +ATOM 10867 C GLY F 121 24.322 37.895 131.399 1.00 22.80 C +ATOM 10868 O GLY F 121 24.032 37.771 132.576 1.00 22.80 O +ATOM 10869 N ASN F 122 25.457 37.429 130.865 1.00 22.06 N +ATOM 10870 CA ASN F 122 26.494 36.818 131.679 1.00 21.63 C +ATOM 10871 C ASN F 122 27.349 37.870 132.409 1.00 22.13 C +ATOM 10872 O ASN F 122 27.752 38.879 131.839 1.00 21.50 O +ATOM 10873 CB ASN F 122 27.409 35.915 130.835 1.00 19.91 C +ATOM 10874 CG ASN F 122 26.668 34.785 130.139 1.00 21.25 C +ATOM 10875 OD1 ASN F 122 25.611 34.311 130.615 1.00 15.97 O +ATOM 10876 ND2 ASN F 122 27.232 34.316 129.011 1.00 13.84 N +ATOM 10877 N ASN F 123 27.608 37.606 133.680 1.00 21.29 N +ATOM 10878 CA ASN F 123 28.391 38.477 134.560 1.00 22.29 C +ATOM 10879 C ASN F 123 29.339 37.592 135.366 1.00 20.57 C +ATOM 10880 O ASN F 123 28.895 36.685 136.035 1.00 21.05 O +ATOM 10881 CB ASN F 123 27.448 39.257 135.486 1.00 23.84 C +ATOM 10882 CG ASN F 123 26.603 40.299 134.735 1.00 29.72 C +ATOM 10883 OD1 ASN F 123 27.149 41.249 134.169 1.00 39.00 O +ATOM 10884 ND2 ASN F 123 25.270 40.128 134.736 1.00 29.62 N +ATOM 10885 N PHE F 124 30.643 37.845 135.253 1.00 20.09 N +ATOM 10886 CA PHE F 124 31.667 36.990 135.798 1.00 19.15 C +ATOM 10887 C PHE F 124 32.524 37.617 136.883 1.00 19.00 C +ATOM 10888 O PHE F 124 33.438 36.962 137.371 1.00 19.47 O +ATOM 10889 CB PHE F 124 32.604 36.507 134.663 1.00 20.84 C +ATOM 10890 CG PHE F 124 31.902 35.701 133.622 1.00 20.17 C +ATOM 10891 CD1 PHE F 124 31.547 34.383 133.881 1.00 20.68 C +ATOM 10892 CD2 PHE F 124 31.545 36.264 132.401 1.00 16.70 C +ATOM 10893 CE1 PHE F 124 30.837 33.626 132.932 1.00 15.13 C +ATOM 10894 CE2 PHE F 124 30.831 35.508 131.454 1.00 17.08 C +ATOM 10895 CZ PHE F 124 30.487 34.184 131.737 1.00 16.68 C +ATOM 10896 N LYS F 125 32.268 38.875 137.252 1.00 19.29 N +ATOM 10897 CA LYS F 125 33.139 39.570 138.189 1.00 18.91 C +ATOM 10898 C LYS F 125 33.151 38.929 139.565 1.00 18.56 C +ATOM 10899 O LYS F 125 34.213 38.789 140.170 1.00 20.42 O +ATOM 10900 CB LYS F 125 32.773 41.067 138.307 1.00 21.27 C +ATOM 10901 CG LYS F 125 33.038 41.887 137.054 1.00 20.78 C +ATOM 10902 CD LYS F 125 32.671 43.332 137.258 1.00 24.06 C +ATOM 10903 CE LYS F 125 33.039 44.194 136.062 1.00 28.20 C +ATOM 10904 NZ LYS F 125 32.925 45.614 136.497 1.00 35.34 N +ATOM 10905 N GLY F 126 31.984 38.571 140.089 1.00 17.87 N +ATOM 10906 CA GLY F 126 31.902 37.860 141.382 1.00 17.89 C +ATOM 10907 C GLY F 126 32.629 36.509 141.396 1.00 19.46 C +ATOM 10908 O GLY F 126 33.352 36.201 142.341 1.00 18.45 O +HETATM10909 N MSE F 127 32.457 35.704 140.349 1.00 19.44 N +HETATM10910 CA MSE F 127 33.109 34.403 140.262 1.00 19.49 C +HETATM10911 C MSE F 127 34.626 34.554 140.247 1.00 18.14 C +HETATM10912 O MSE F 127 35.340 33.768 140.854 1.00 16.93 O +HETATM10913 CB MSE F 127 32.723 33.695 138.979 1.00 19.72 C +HETATM10914 CG MSE F 127 31.283 33.382 138.828 1.00 24.01 C +HETATM10915 SE MSE F 127 30.835 32.519 137.149 0.75 21.02 SE +HETATM10916 CE MSE F 127 29.149 33.368 137.054 1.00 13.72 C +ATOM 10917 N ILE F 128 35.087 35.555 139.513 1.00 18.44 N +ATOM 10918 CA ILE F 128 36.505 35.850 139.370 1.00 18.28 C +ATOM 10919 C ILE F 128 37.086 36.299 140.706 1.00 18.28 C +ATOM 10920 O ILE F 128 38.107 35.765 141.143 1.00 18.31 O +ATOM 10921 CB ILE F 128 36.746 36.887 138.223 1.00 19.06 C +ATOM 10922 CG1 ILE F 128 36.479 36.228 136.852 1.00 21.75 C +ATOM 10923 CG2 ILE F 128 38.165 37.425 138.218 1.00 16.47 C +ATOM 10924 CD1 ILE F 128 36.551 37.203 135.652 1.00 15.23 C +ATOM 10925 N ARG F 129 36.414 37.237 141.383 1.00 18.52 N +ATOM 10926 CA ARG F 129 36.820 37.629 142.732 1.00 18.81 C +ATOM 10927 C ARG F 129 36.943 36.405 143.642 1.00 19.30 C +ATOM 10928 O ARG F 129 37.965 36.210 144.293 1.00 20.12 O +ATOM 10929 CB ARG F 129 35.822 38.622 143.351 1.00 18.15 C +ATOM 10930 CG ARG F 129 35.926 40.018 142.777 1.00 20.73 C +ATOM 10931 CD ARG F 129 35.151 41.061 143.618 1.00 22.22 C +ATOM 10932 NE ARG F 129 35.557 42.412 143.213 1.00 23.13 N +ATOM 10933 CZ ARG F 129 34.944 43.121 142.263 1.00 25.17 C +ATOM 10934 NH1 ARG F 129 33.859 42.665 141.658 1.00 25.14 N +ATOM 10935 NH2 ARG F 129 35.415 44.318 141.933 1.00 29.03 N +ATOM 10936 N ASP F 130 35.910 35.566 143.678 1.00 18.82 N +ATOM 10937 CA ASP F 130 35.962 34.382 144.562 1.00 19.20 C +ATOM 10938 C ASP F 130 37.069 33.371 144.183 1.00 19.44 C +ATOM 10939 O ASP F 130 37.717 32.767 145.053 1.00 20.68 O +ATOM 10940 CB ASP F 130 34.591 33.682 144.602 1.00 17.79 C +ATOM 10941 CG ASP F 130 33.529 34.509 145.326 1.00 24.76 C +ATOM 10942 OD1 ASP F 130 33.878 35.515 145.999 1.00 22.40 O +ATOM 10943 OD2 ASP F 130 32.334 34.135 145.220 1.00 25.15 O +ATOM 10944 N LEU F 131 37.279 33.173 142.894 1.00 19.48 N +ATOM 10945 CA LEU F 131 38.331 32.261 142.423 1.00 19.87 C +ATOM 10946 C LEU F 131 39.723 32.845 142.639 1.00 20.24 C +ATOM 10947 O LEU F 131 40.684 32.108 142.759 1.00 20.93 O +ATOM 10948 CB LEU F 131 38.109 31.900 140.960 1.00 20.05 C +ATOM 10949 CG LEU F 131 37.087 30.786 140.714 1.00 22.12 C +ATOM 10950 CD1 LEU F 131 36.637 30.798 139.263 1.00 20.79 C +ATOM 10951 CD2 LEU F 131 37.672 29.443 141.071 1.00 15.71 C +ATOM 10952 N ALA F 132 39.824 34.173 142.719 1.00 21.44 N +ATOM 10953 CA ALA F 132 41.109 34.873 142.972 1.00 21.98 C +ATOM 10954 C ALA F 132 41.717 34.507 144.320 1.00 22.13 C +ATOM 10955 O ALA F 132 42.909 34.509 144.478 1.00 24.08 O +ATOM 10956 CB ALA F 132 40.926 36.404 142.877 1.00 19.39 C +ATOM 10957 N PHE F 133 40.874 34.190 145.288 1.00 24.49 N +ATOM 10958 CA PHE F 133 41.308 33.788 146.606 1.00 25.57 C +ATOM 10959 C PHE F 133 41.624 32.293 146.684 1.00 26.42 C +ATOM 10960 O PHE F 133 42.517 31.891 147.414 1.00 27.41 O +ATOM 10961 CB PHE F 133 40.223 34.157 147.630 1.00 26.97 C +ATOM 10962 CG PHE F 133 40.016 35.647 147.786 1.00 27.60 C +ATOM 10963 CD1 PHE F 133 41.058 36.461 148.179 1.00 28.85 C +ATOM 10964 CD2 PHE F 133 38.785 36.227 147.549 1.00 25.18 C +ATOM 10965 CE1 PHE F 133 40.883 37.827 148.311 1.00 27.71 C +ATOM 10966 CE2 PHE F 133 38.607 37.586 147.678 1.00 25.01 C +ATOM 10967 CZ PHE F 133 39.647 38.384 148.067 1.00 27.05 C +ATOM 10968 N GLU F 134 40.878 31.476 145.940 1.00 27.36 N +ATOM 10969 CA GLU F 134 41.108 30.028 145.910 1.00 30.35 C +ATOM 10970 C GLU F 134 42.344 29.681 145.096 1.00 25.86 C +ATOM 10971 O GLU F 134 43.039 28.733 145.430 1.00 25.31 O +ATOM 10972 CB GLU F 134 39.959 29.266 145.239 1.00 29.76 C +ATOM 10973 CG GLU F 134 38.627 29.171 145.938 1.00 42.59 C +ATOM 10974 CD GLU F 134 37.723 28.148 145.209 1.00 44.14 C +ATOM 10975 OE1 GLU F 134 37.994 26.917 145.313 1.00 64.42 O +ATOM 10976 OE2 GLU F 134 36.774 28.571 144.503 1.00 59.88 O +ATOM 10977 N TYR F 135 42.568 30.394 143.992 1.00 23.32 N +ATOM 10978 CA TYR F 135 43.693 30.143 143.092 1.00 22.19 C +ATOM 10979 C TYR F 135 44.423 31.464 142.859 1.00 23.25 C +ATOM 10980 O TYR F 135 44.271 32.080 141.764 1.00 20.99 O +ATOM 10981 CB TYR F 135 43.191 29.604 141.727 1.00 22.71 C +ATOM 10982 CG TYR F 135 42.430 28.284 141.795 1.00 20.17 C +ATOM 10983 CD1 TYR F 135 43.093 27.060 141.726 1.00 24.86 C +ATOM 10984 CD2 TYR F 135 41.059 28.269 141.929 1.00 24.01 C +ATOM 10985 CE1 TYR F 135 42.389 25.860 141.814 1.00 25.03 C +ATOM 10986 CE2 TYR F 135 40.349 27.087 142.020 1.00 22.38 C +ATOM 10987 CZ TYR F 135 41.009 25.899 141.944 1.00 24.55 C +ATOM 10988 OH TYR F 135 40.272 24.766 142.002 1.00 21.41 O +ATOM 10989 N PRO F 136 45.190 31.930 143.870 1.00 24.51 N +ATOM 10990 CA PRO F 136 45.875 33.237 143.778 1.00 25.86 C +ATOM 10991 C PRO F 136 46.980 33.359 142.682 1.00 25.62 C +ATOM 10992 O PRO F 136 47.342 34.460 142.307 1.00 27.25 O +ATOM 10993 CB PRO F 136 46.430 33.455 145.185 1.00 24.37 C +ATOM 10994 CG PRO F 136 46.430 32.155 145.828 1.00 25.86 C +ATOM 10995 CD PRO F 136 45.432 31.270 145.160 1.00 26.17 C +ATOM 10996 N ASP F 137 47.429 32.244 142.129 1.00 25.68 N +ATOM 10997 CA ASP F 137 48.402 32.220 141.040 1.00 26.05 C +ATOM 10998 C ASP F 137 47.775 32.106 139.623 1.00 24.65 C +ATOM 10999 O ASP F 137 48.505 32.007 138.627 1.00 23.42 O +ATOM 11000 CB ASP F 137 49.436 31.081 141.272 1.00 27.04 C +ATOM 11001 CG ASP F 137 48.793 29.675 141.448 1.00 33.89 C +ATOM 11002 OD1 ASP F 137 47.538 29.518 141.568 1.00 32.86 O +ATOM 11003 OD2 ASP F 137 49.587 28.708 141.508 1.00 44.14 O +ATOM 11004 N PHE F 138 46.437 32.157 139.536 1.00 23.49 N +ATOM 11005 CA PHE F 138 45.707 31.910 138.285 1.00 21.41 C +ATOM 11006 C PHE F 138 45.000 33.197 137.864 1.00 21.05 C +ATOM 11007 O PHE F 138 44.128 33.672 138.543 1.00 22.05 O +ATOM 11008 CB PHE F 138 44.723 30.755 138.489 1.00 22.64 C +ATOM 11009 CG PHE F 138 44.222 30.124 137.209 1.00 22.60 C +ATOM 11010 CD1 PHE F 138 43.310 30.765 136.411 1.00 30.27 C +ATOM 11011 CD2 PHE F 138 44.638 28.860 136.836 1.00 25.21 C +ATOM 11012 CE1 PHE F 138 42.864 30.174 135.241 1.00 32.14 C +ATOM 11013 CE2 PHE F 138 44.181 28.269 135.675 1.00 24.08 C +ATOM 11014 CZ PHE F 138 43.308 28.919 134.879 1.00 23.59 C +ATOM 11015 N LEU F 139 45.415 33.775 136.749 1.00 21.22 N +ATOM 11016 CA LEU F 139 44.857 35.020 136.262 1.00 21.82 C +ATOM 11017 C LEU F 139 43.625 34.742 135.395 1.00 21.26 C +ATOM 11018 O LEU F 139 43.735 34.045 134.403 1.00 22.16 O +ATOM 11019 CB LEU F 139 45.912 35.727 135.429 1.00 22.37 C +ATOM 11020 CG LEU F 139 45.561 37.096 134.853 1.00 25.28 C +ATOM 11021 CD1 LEU F 139 45.237 38.075 135.973 1.00 23.36 C +ATOM 11022 CD2 LEU F 139 46.712 37.616 133.969 1.00 23.05 C +ATOM 11023 N ILE F 140 42.474 35.303 135.763 1.00 20.22 N +ATOM 11024 CA ILE F 140 41.253 35.206 134.972 1.00 19.19 C +ATOM 11025 C ILE F 140 40.758 36.606 134.611 1.00 19.28 C +ATOM 11026 O ILE F 140 40.421 37.398 135.504 1.00 19.37 O +ATOM 11027 CB ILE F 140 40.125 34.462 135.741 1.00 19.96 C +ATOM 11028 CG1 ILE F 140 40.631 33.155 136.345 1.00 20.79 C +ATOM 11029 CG2 ILE F 140 38.912 34.196 134.825 1.00 17.73 C +ATOM 11030 CD1 ILE F 140 39.549 32.391 137.072 1.00 20.17 C +ATOM 11031 N ALA F 141 40.712 36.910 133.301 1.00 19.41 N +ATOM 11032 CA ALA F 141 40.102 38.139 132.776 1.00 18.42 C +ATOM 11033 C ALA F 141 38.738 37.816 132.148 1.00 18.38 C +ATOM 11034 O ALA F 141 38.470 36.660 131.826 1.00 18.49 O +ATOM 11035 CB ALA F 141 41.025 38.811 131.757 1.00 16.16 C +ATOM 11036 N ALA F 142 37.881 38.832 131.997 1.00 17.85 N +ATOM 11037 CA ALA F 142 36.603 38.671 131.307 1.00 18.35 C +ATOM 11038 C ALA F 142 36.332 39.844 130.386 1.00 19.28 C +ATOM 11039 O ALA F 142 36.614 41.004 130.738 1.00 19.46 O +ATOM 11040 CB ALA F 142 35.416 38.498 132.302 1.00 16.32 C +ATOM 11041 N ALA F 143 35.754 39.545 129.222 1.00 19.78 N +ATOM 11042 CA ALA F 143 35.306 40.587 128.272 1.00 20.60 C +ATOM 11043 C ALA F 143 34.110 40.091 127.512 1.00 20.52 C +ATOM 11044 O ALA F 143 34.032 38.903 127.235 1.00 19.62 O +ATOM 11045 CB ALA F 143 36.401 40.899 127.271 1.00 20.83 C +ATOM 11046 N ASN F 144 33.198 40.999 127.157 1.00 20.61 N +ATOM 11047 CA ASN F 144 32.223 40.747 126.098 1.00 21.45 C +ATOM 11048 C ASN F 144 32.914 41.078 124.756 1.00 21.40 C +ATOM 11049 O ASN F 144 33.501 42.144 124.651 1.00 21.34 O +ATOM 11050 CB ASN F 144 30.984 41.644 126.297 1.00 23.12 C +ATOM 11051 CG ASN F 144 30.093 41.206 127.483 1.00 27.94 C +ATOM 11052 OD1 ASN F 144 29.626 40.074 127.551 1.00 25.07 O +ATOM 11053 ND2 ASN F 144 29.820 42.137 128.387 1.00 21.45 N +ATOM 11054 N TRP F 145 32.851 40.203 123.732 1.00 19.94 N +ATOM 11055 CA TRP F 145 33.498 40.504 122.442 1.00 20.29 C +ATOM 11056 C TRP F 145 32.959 41.822 121.874 1.00 20.29 C +ATOM 11057 O TRP F 145 33.681 42.595 121.290 1.00 20.43 O +ATOM 11058 CB TRP F 145 33.374 39.325 121.407 1.00 20.40 C +ATOM 11059 CG TRP F 145 32.003 39.142 120.857 1.00 18.49 C +ATOM 11060 CD1 TRP F 145 31.030 38.356 121.375 1.00 20.36 C +ATOM 11061 CD2 TRP F 145 31.412 39.831 119.735 1.00 20.09 C +ATOM 11062 NE1 TRP F 145 29.892 38.465 120.634 1.00 22.24 N +ATOM 11063 CE2 TRP F 145 30.095 39.371 119.620 1.00 18.72 C +ATOM 11064 CE3 TRP F 145 31.883 40.771 118.814 1.00 19.72 C +ATOM 11065 CZ2 TRP F 145 29.218 39.837 118.621 1.00 19.47 C +ATOM 11066 CZ3 TRP F 145 31.042 41.198 117.811 1.00 18.50 C +ATOM 11067 CH2 TRP F 145 29.717 40.740 117.724 1.00 20.97 C +ATOM 11068 N PHE F 146 31.678 42.100 122.100 1.00 21.40 N +ATOM 11069 CA PHE F 146 31.034 43.218 121.444 1.00 21.15 C +ATOM 11070 C PHE F 146 31.248 44.541 122.183 1.00 21.83 C +ATOM 11071 O PHE F 146 30.692 45.550 121.801 1.00 23.25 O +ATOM 11072 CB PHE F 146 29.564 42.934 121.246 1.00 21.91 C +ATOM 11073 CG PHE F 146 28.862 42.543 122.501 1.00 26.25 C +ATOM 11074 CD1 PHE F 146 28.422 43.515 123.398 1.00 26.82 C +ATOM 11075 CD2 PHE F 146 28.659 41.202 122.806 1.00 23.55 C +ATOM 11076 CE1 PHE F 146 27.796 43.149 124.577 1.00 27.55 C +ATOM 11077 CE2 PHE F 146 28.035 40.848 123.969 1.00 26.15 C +ATOM 11078 CZ PHE F 146 27.593 41.825 124.855 1.00 25.48 C +ATOM 11079 N GLU F 147 32.073 44.525 123.227 1.00 21.77 N +ATOM 11080 CA GLU F 147 32.517 45.720 123.923 1.00 21.43 C +ATOM 11081 C GLU F 147 33.989 46.036 123.704 1.00 22.29 C +ATOM 11082 O GLU F 147 34.471 47.091 124.137 1.00 24.28 O +ATOM 11083 CB GLU F 147 32.259 45.566 125.422 1.00 20.94 C +ATOM 11084 CG GLU F 147 30.829 45.819 125.756 1.00 22.80 C +ATOM 11085 CD GLU F 147 30.464 45.446 127.179 1.00 26.82 C +ATOM 11086 OE1 GLU F 147 31.343 44.942 127.937 1.00 26.79 O +ATOM 11087 OE2 GLU F 147 29.262 45.622 127.502 1.00 32.33 O +ATOM 11088 N VAL F 148 34.707 45.168 123.008 1.00 23.12 N +ATOM 11089 CA VAL F 148 36.131 45.398 122.765 1.00 22.45 C +ATOM 11090 C VAL F 148 36.290 46.649 121.879 1.00 24.04 C +ATOM 11091 O VAL F 148 37.184 47.479 122.110 1.00 23.05 O +ATOM 11092 CB VAL F 148 36.804 44.118 122.204 1.00 23.50 C +ATOM 11093 CG1 VAL F 148 38.235 44.379 121.678 1.00 19.94 C +ATOM 11094 CG2 VAL F 148 36.777 42.995 123.306 1.00 18.93 C +ATOM 11095 N VAL F 149 35.390 46.786 120.897 1.00 23.90 N +ATOM 11096 CA VAL F 149 35.249 47.979 120.049 1.00 22.88 C +ATOM 11097 C VAL F 149 33.768 48.313 120.042 1.00 24.20 C +ATOM 11098 O VAL F 149 32.948 47.418 119.884 1.00 23.53 O +ATOM 11099 CB VAL F 149 35.697 47.679 118.615 1.00 22.73 C +ATOM 11100 CG1 VAL F 149 35.491 48.906 117.731 1.00 23.18 C +ATOM 11101 CG2 VAL F 149 37.166 47.259 118.601 1.00 20.10 C +ATOM 11102 N SER F 150 33.421 49.591 120.203 1.00 26.97 N +ATOM 11103 CA SER F 150 32.006 50.032 120.144 1.00 29.30 C +ATOM 11104 C SER F 150 31.442 49.858 118.733 1.00 29.62 C +ATOM 11105 O SER F 150 32.112 50.186 117.757 1.00 30.34 O +ATOM 11106 CB SER F 150 31.876 51.519 120.548 1.00 30.71 C +ATOM 11107 OG SER F 150 30.513 51.933 120.626 1.00 35.10 O +ATOM 11108 N PRO F 151 30.203 49.373 118.619 1.00 31.46 N +ATOM 11109 CA PRO F 151 29.567 49.187 117.318 1.00 32.83 C +ATOM 11110 C PRO F 151 29.166 50.496 116.680 1.00 34.87 C +ATOM 11111 O PRO F 151 29.006 50.586 115.444 1.00 34.43 O +ATOM 11112 CB PRO F 151 28.314 48.350 117.640 1.00 34.71 C +ATOM 11113 CG PRO F 151 28.001 48.628 119.092 1.00 33.84 C +ATOM 11114 CD PRO F 151 29.329 48.973 119.742 1.00 34.59 C +ATOM 11115 N LYS F 152 29.004 51.511 117.522 1.00 41.48 N +ATOM 11116 CA LYS F 152 28.696 52.843 117.033 1.00 43.90 C +ATOM 11117 C LYS F 152 29.756 53.292 115.998 1.00 40.74 C +ATOM 11118 O LYS F 152 30.969 53.156 116.193 1.00 41.87 O +ATOM 11119 CB LYS F 152 28.525 53.795 118.224 1.00 46.04 C +ATOM 11120 CG LYS F 152 27.303 53.397 119.124 1.00 45.09 C +ATOM 11121 CD LYS F 152 27.450 53.915 120.557 1.00 48.41 C +ATOM 11122 CE LYS F 152 27.205 55.444 120.669 1.00 58.56 C +ATOM 11123 NZ LYS F 152 27.307 55.951 122.090 1.00 54.17 N +ATOM 11124 N GLY F 153 29.265 53.757 114.857 1.00 39.91 N +ATOM 11125 CA GLY F 153 30.107 53.967 113.673 1.00 37.56 C +ATOM 11126 C GLY F 153 30.075 52.842 112.649 1.00 34.81 C +ATOM 11127 O GLY F 153 30.104 53.099 111.440 1.00 36.73 O +ATOM 11128 N TYR F 154 30.017 51.591 113.112 1.00 29.14 N +ATOM 11129 CA TYR F 154 30.106 50.432 112.207 1.00 26.32 C +ATOM 11130 C TYR F 154 28.746 49.994 111.630 1.00 25.23 C +ATOM 11131 O TYR F 154 28.682 49.257 110.637 1.00 26.44 O +ATOM 11132 CB TYR F 154 30.826 49.283 112.920 1.00 23.39 C +ATOM 11133 CG TYR F 154 32.335 49.534 113.097 1.00 23.81 C +ATOM 11134 CD1 TYR F 154 33.221 49.196 112.078 1.00 23.14 C +ATOM 11135 CD2 TYR F 154 32.866 50.095 114.263 1.00 22.43 C +ATOM 11136 CE1 TYR F 154 34.593 49.409 112.199 1.00 23.74 C +ATOM 11137 CE2 TYR F 154 34.261 50.335 114.389 1.00 21.32 C +ATOM 11138 CZ TYR F 154 35.106 49.988 113.347 1.00 23.85 C +ATOM 11139 OH TYR F 154 36.474 50.173 113.368 1.00 25.80 O +ATOM 11140 N PHE F 155 27.672 50.448 112.256 1.00 25.05 N +ATOM 11141 CA PHE F 155 26.320 50.048 111.909 1.00 26.41 C +ATOM 11142 C PHE F 155 25.388 51.250 111.936 1.00 29.25 C +ATOM 11143 O PHE F 155 25.680 52.248 112.575 1.00 31.15 O +ATOM 11144 CB PHE F 155 25.852 48.938 112.883 1.00 25.21 C +ATOM 11145 CG PHE F 155 26.814 47.774 112.945 1.00 23.17 C +ATOM 11146 CD1 PHE F 155 26.844 46.821 111.925 1.00 19.81 C +ATOM 11147 CD2 PHE F 155 27.738 47.678 113.963 1.00 22.97 C +ATOM 11148 CE1 PHE F 155 27.771 45.779 111.949 1.00 21.43 C +ATOM 11149 CE2 PHE F 155 28.634 46.643 114.003 1.00 23.87 C +ATOM 11150 CZ PHE F 155 28.662 45.690 112.986 1.00 19.79 C +ATOM 11151 N GLU F 156 24.262 51.142 111.235 1.00 31.68 N +ATOM 11152 CA GLU F 156 23.324 52.246 111.081 1.00 33.87 C +ATOM 11153 C GLU F 156 22.238 52.267 112.151 1.00 34.09 C +ATOM 11154 O GLU F 156 21.954 53.315 112.720 1.00 34.76 O +ATOM 11155 CB GLU F 156 22.654 52.188 109.697 1.00 33.27 C +ATOM 11156 CG GLU F 156 23.621 52.291 108.510 1.00 37.42 C +ATOM 11157 CD GLU F 156 22.923 52.134 107.139 1.00 37.87 C +ATOM 11158 OE1 GLU F 156 22.257 53.099 106.671 1.00 39.49 O +ATOM 11159 OE2 GLU F 156 23.067 51.053 106.522 1.00 31.93 O +ATOM 11160 N ALA F 157 21.598 51.124 112.394 1.00 35.04 N +ATOM 11161 CA ALA F 157 20.511 51.056 113.364 1.00 34.79 C +ATOM 11162 C ALA F 157 20.967 51.619 114.707 1.00 35.60 C +ATOM 11163 O ALA F 157 22.077 51.323 115.183 1.00 35.38 O +ATOM 11164 CB ALA F 157 20.015 49.626 113.519 1.00 34.60 C +ATOM 11165 N GLU F 158 20.120 52.452 115.302 1.00 37.64 N +ATOM 11166 CA GLU F 158 20.483 53.106 116.564 1.00 40.87 C +ATOM 11167 C GLU F 158 20.187 52.181 117.737 1.00 37.92 C +ATOM 11168 O GLU F 158 21.017 52.057 118.633 1.00 38.34 O +ATOM 11169 CB GLU F 158 19.799 54.468 116.705 1.00 42.43 C +ATOM 11170 CG GLU F 158 20.812 55.643 116.882 1.00 47.86 C +ATOM 11171 CD GLU F 158 20.305 56.941 116.254 1.00 58.69 C +ATOM 11172 OE1 GLU F 158 19.064 57.149 116.260 1.00 61.58 O +ATOM 11173 OE2 GLU F 158 21.136 57.741 115.746 1.00 55.18 O +ATOM 11174 N ILE F 159 19.030 51.514 117.712 1.00 35.34 N +ATOM 11175 CA ILE F 159 18.744 50.435 118.654 1.00 34.01 C +ATOM 11176 C ILE F 159 19.315 49.124 118.085 1.00 32.57 C +ATOM 11177 O ILE F 159 19.004 48.713 116.957 1.00 30.71 O +ATOM 11178 CB ILE F 159 17.214 50.304 119.013 1.00 34.31 C +ATOM 11179 CG1 ILE F 159 16.676 51.627 119.622 1.00 35.63 C +ATOM 11180 CG2 ILE F 159 17.000 49.160 120.001 1.00 29.68 C +ATOM 11181 CD1 ILE F 159 15.151 51.695 119.808 1.00 35.01 C +ATOM 11182 N ASP F 160 20.164 48.489 118.878 1.00 31.22 N +ATOM 11183 CA ASP F 160 20.903 47.311 118.446 1.00 32.57 C +ATOM 11184 C ASP F 160 21.444 46.612 119.685 1.00 31.92 C +ATOM 11185 O ASP F 160 22.645 46.659 119.938 1.00 32.63 O +ATOM 11186 CB ASP F 160 22.036 47.750 117.487 1.00 31.97 C +ATOM 11187 CG ASP F 160 22.822 46.576 116.866 1.00 35.00 C +ATOM 11188 OD1 ASP F 160 22.475 45.389 117.066 1.00 35.15 O +ATOM 11189 OD2 ASP F 160 23.838 46.870 116.191 1.00 40.84 O +ATOM 11190 N ASP F 161 20.538 45.992 120.457 1.00 31.57 N +ATOM 11191 CA ASP F 161 20.907 45.307 121.701 1.00 30.61 C +ATOM 11192 C ASP F 161 20.942 43.778 121.569 1.00 29.50 C +ATOM 11193 O ASP F 161 21.754 43.140 122.215 1.00 30.42 O +ATOM 11194 CB ASP F 161 19.945 45.672 122.849 1.00 31.66 C +ATOM 11195 CG ASP F 161 20.020 47.142 123.252 1.00 37.84 C +ATOM 11196 OD1 ASP F 161 21.130 47.734 123.201 1.00 46.75 O +ATOM 11197 OD2 ASP F 161 18.958 47.703 123.628 1.00 46.84 O +ATOM 11198 N HIS F 162 20.060 43.185 120.768 1.00 26.15 N +ATOM 11199 CA HIS F 162 19.984 41.728 120.702 1.00 23.75 C +ATOM 11200 C HIS F 162 19.511 41.262 119.330 1.00 22.19 C +ATOM 11201 O HIS F 162 18.409 41.601 118.915 1.00 20.72 O +ATOM 11202 CB HIS F 162 19.058 41.211 121.800 1.00 22.64 C +ATOM 11203 CG HIS F 162 18.893 39.733 121.786 1.00 22.43 C +ATOM 11204 ND1 HIS F 162 19.911 38.871 122.128 1.00 22.55 N +ATOM 11205 CD2 HIS F 162 17.838 38.957 121.456 1.00 25.21 C +ATOM 11206 CE1 HIS F 162 19.487 37.629 122.011 1.00 23.55 C +ATOM 11207 NE2 HIS F 162 18.234 37.649 121.612 1.00 18.73 N +ATOM 11208 N ALA F 163 20.340 40.473 118.639 1.00 21.20 N +ATOM 11209 CA ALA F 163 19.972 39.925 117.324 1.00 21.62 C +ATOM 11210 C ALA F 163 19.726 41.064 116.312 1.00 23.17 C +ATOM 11211 O ALA F 163 18.905 40.940 115.416 1.00 23.71 O +ATOM 11212 CB ALA F 163 18.714 39.044 117.427 1.00 18.76 C +ATOM 11213 N GLY F 164 20.437 42.161 116.484 1.00 23.39 N +ATOM 11214 CA GLY F 164 20.214 43.372 115.718 1.00 24.11 C +ATOM 11215 C GLY F 164 21.174 43.419 114.571 1.00 23.45 C +ATOM 11216 O GLY F 164 21.594 42.381 114.077 1.00 23.76 O +ATOM 11217 N GLU F 165 21.542 44.625 114.156 1.00 23.04 N +ATOM 11218 CA GLU F 165 22.317 44.791 112.946 1.00 22.78 C +ATOM 11219 C GLU F 165 23.699 44.259 113.109 1.00 22.05 C +ATOM 11220 O GLU F 165 24.202 43.603 112.220 1.00 23.29 O +ATOM 11221 CB GLU F 165 22.351 46.264 112.496 1.00 23.95 C +ATOM 11222 CG GLU F 165 22.857 46.454 111.048 1.00 25.86 C +ATOM 11223 CD GLU F 165 22.890 47.918 110.621 1.00 25.61 C +ATOM 11224 OE1 GLU F 165 21.901 48.625 110.875 1.00 21.02 O +ATOM 11225 OE2 GLU F 165 23.906 48.342 110.047 1.00 26.11 O +ATOM 11226 N SER F 166 24.326 44.543 114.239 1.00 22.73 N +ATOM 11227 CA SER F 166 25.691 44.136 114.496 1.00 22.80 C +ATOM 11228 C SER F 166 25.866 42.617 114.621 1.00 23.04 C +ATOM 11229 O SER F 166 26.799 42.037 114.027 1.00 24.72 O +ATOM 11230 CB SER F 166 26.192 44.819 115.779 1.00 22.68 C +ATOM 11231 OG SER F 166 25.267 44.643 116.844 1.00 26.65 O +ATOM 11232 N GLU F 167 25.031 41.980 115.446 1.00 23.35 N +ATOM 11233 CA GLU F 167 25.117 40.527 115.601 1.00 22.82 C +ATOM 11234 C GLU F 167 24.783 39.844 114.276 1.00 20.83 C +ATOM 11235 O GLU F 167 25.389 38.824 113.926 1.00 20.25 O +ATOM 11236 CB GLU F 167 24.180 40.005 116.703 1.00 23.10 C +ATOM 11237 CG GLU F 167 24.856 39.793 118.045 1.00 24.27 C +ATOM 11238 CD GLU F 167 24.013 39.032 119.061 1.00 25.37 C +ATOM 11239 OE1 GLU F 167 22.771 39.171 119.043 1.00 20.54 O +ATOM 11240 OE2 GLU F 167 24.621 38.337 119.930 1.00 25.44 O +ATOM 11241 N THR F 168 23.777 40.359 113.567 1.00 20.38 N +ATOM 11242 CA THR F 168 23.407 39.762 112.274 1.00 20.17 C +ATOM 11243 C THR F 168 24.542 39.898 111.268 1.00 20.52 C +ATOM 11244 O THR F 168 24.851 38.945 110.577 1.00 21.91 O +ATOM 11245 CB THR F 168 22.126 40.348 111.680 1.00 20.32 C +ATOM 11246 OG1 THR F 168 21.068 40.238 112.640 1.00 18.43 O +ATOM 11247 CG2 THR F 168 21.743 39.586 110.450 1.00 19.25 C +ATOM 11248 N SER F 169 25.174 41.065 111.210 1.00 20.47 N +ATOM 11249 CA SER F 169 26.262 41.306 110.262 1.00 20.74 C +ATOM 11250 C SER F 169 27.415 40.379 110.521 1.00 20.94 C +ATOM 11251 O SER F 169 27.968 39.833 109.585 1.00 21.09 O +ATOM 11252 CB SER F 169 26.774 42.767 110.302 1.00 20.63 C +ATOM 11253 OG SER F 169 25.791 43.680 109.848 1.00 22.31 O +ATOM 11254 N VAL F 170 27.794 40.231 111.788 1.00 20.69 N +ATOM 11255 CA VAL F 170 28.955 39.425 112.129 1.00 19.76 C +ATOM 11256 C VAL F 170 28.654 37.939 111.849 1.00 20.27 C +ATOM 11257 O VAL F 170 29.517 37.227 111.388 1.00 22.21 O +ATOM 11258 CB VAL F 170 29.411 39.659 113.578 1.00 21.04 C +ATOM 11259 CG1 VAL F 170 30.642 38.778 113.918 1.00 17.31 C +ATOM 11260 CG2 VAL F 170 29.708 41.183 113.828 1.00 16.97 C +HETATM11261 N MSE F 171 27.413 37.498 112.058 1.00 19.79 N +HETATM11262 CA MSE F 171 27.012 36.121 111.687 1.00 20.49 C +HETATM11263 C MSE F 171 27.072 35.965 110.164 1.00 21.21 C +HETATM11264 O MSE F 171 27.522 34.944 109.671 1.00 21.91 O +HETATM11265 CB MSE F 171 25.598 35.782 112.167 1.00 19.43 C +HETATM11266 CG MSE F 171 25.213 34.321 111.971 1.00 21.93 C +HETATM11267 SE MSE F 171 26.432 33.049 112.937 0.75 21.14 SE +HETATM11268 CE MSE F 171 25.978 33.409 114.834 1.00 17.73 C +HETATM11269 N MSE F 172 26.600 36.967 109.420 1.00 21.88 N +HETATM11270 CA MSE F 172 26.611 36.895 107.961 1.00 21.85 C +HETATM11271 C MSE F 172 28.020 36.750 107.441 1.00 22.27 C +HETATM11272 O MSE F 172 28.250 36.046 106.453 1.00 23.60 O +HETATM11273 CB MSE F 172 25.924 38.098 107.333 1.00 20.97 C +HETATM11274 CG MSE F 172 24.410 38.056 107.426 1.00 22.00 C +HETATM11275 SE MSE F 172 23.603 39.774 106.939 0.75 22.33 SE +HETATM11276 CE MSE F 172 23.555 39.643 104.870 1.00 21.27 C +ATOM 11277 N HIS F 173 28.958 37.389 108.122 1.00 21.67 N +ATOM 11278 CA HIS F 173 30.378 37.285 107.778 1.00 21.77 C +ATOM 11279 C HIS F 173 30.948 35.908 108.061 1.00 22.98 C +ATOM 11280 O HIS F 173 31.469 35.243 107.172 1.00 22.97 O +ATOM 11281 CB HIS F 173 31.160 38.358 108.508 1.00 22.04 C +ATOM 11282 CG HIS F 173 32.637 38.185 108.461 1.00 21.91 C +ATOM 11283 ND1 HIS F 173 33.350 38.207 107.287 1.00 25.08 N +ATOM 11284 CD2 HIS F 173 33.549 38.063 109.450 1.00 23.00 C +ATOM 11285 CE1 HIS F 173 34.637 38.065 107.550 1.00 25.28 C +ATOM 11286 NE2 HIS F 173 34.787 37.977 108.860 1.00 23.27 N +ATOM 11287 N TYR F 174 30.815 35.465 109.300 1.00 22.76 N +ATOM 11288 CA TYR F 174 31.403 34.201 109.720 1.00 21.55 C +ATOM 11289 C TYR F 174 30.633 32.979 109.255 1.00 20.50 C +ATOM 11290 O TYR F 174 31.245 32.010 108.893 1.00 19.25 O +ATOM 11291 CB TYR F 174 31.525 34.150 111.256 1.00 21.45 C +ATOM 11292 CG TYR F 174 32.718 34.896 111.815 1.00 21.45 C +ATOM 11293 CD1 TYR F 174 34.016 34.581 111.423 1.00 22.72 C +ATOM 11294 CD2 TYR F 174 32.545 35.905 112.742 1.00 19.00 C +ATOM 11295 CE1 TYR F 174 35.104 35.269 111.943 1.00 21.50 C +ATOM 11296 CE2 TYR F 174 33.614 36.584 113.262 1.00 20.16 C +ATOM 11297 CZ TYR F 174 34.891 36.251 112.870 1.00 23.17 C +ATOM 11298 OH TYR F 174 35.933 36.946 113.412 1.00 19.45 O +ATOM 11299 N HIS F 175 29.301 33.001 109.322 1.00 21.59 N +ATOM 11300 CA HIS F 175 28.498 31.845 108.917 1.00 22.26 C +ATOM 11301 C HIS F 175 27.278 32.250 108.108 1.00 23.19 C +ATOM 11302 O HIS F 175 26.162 32.150 108.571 1.00 23.35 O +ATOM 11303 CB HIS F 175 28.062 31.026 110.135 1.00 22.36 C +ATOM 11304 CG HIS F 175 29.198 30.364 110.849 1.00 23.02 C +ATOM 11305 ND1 HIS F 175 29.737 29.169 110.434 1.00 21.12 N +ATOM 11306 CD2 HIS F 175 29.922 30.755 111.922 1.00 22.81 C +ATOM 11307 CE1 HIS F 175 30.727 28.839 111.239 1.00 27.28 C +ATOM 11308 NE2 HIS F 175 30.876 29.798 112.133 1.00 23.99 N +ATOM 11309 N PRO F 176 27.491 32.688 106.872 1.00 25.05 N +ATOM 11310 CA PRO F 176 26.375 33.101 106.025 1.00 25.95 C +ATOM 11311 C PRO F 176 25.266 32.044 105.802 1.00 25.98 C +ATOM 11312 O PRO F 176 24.114 32.401 105.562 1.00 26.87 O +ATOM 11313 CB PRO F 176 27.049 33.481 104.695 1.00 24.69 C +ATOM 11314 CG PRO F 176 28.437 32.942 104.761 1.00 25.74 C +ATOM 11315 CD PRO F 176 28.801 32.855 106.217 1.00 24.88 C +ATOM 11316 N GLU F 177 25.649 30.773 105.843 1.00 27.42 N +ATOM 11317 CA GLU F 177 24.739 29.653 105.700 1.00 27.33 C +ATOM 11318 C GLU F 177 23.777 29.490 106.895 1.00 27.48 C +ATOM 11319 O GLU F 177 22.841 28.727 106.803 1.00 26.36 O +ATOM 11320 CB GLU F 177 25.543 28.361 105.501 1.00 26.32 C +ATOM 11321 CG GLU F 177 26.174 27.697 106.739 1.00 29.97 C +ATOM 11322 CD GLU F 177 27.455 28.376 107.227 1.00 35.17 C +ATOM 11323 OE1 GLU F 177 27.944 29.329 106.562 1.00 28.56 O +ATOM 11324 OE2 GLU F 177 27.961 27.950 108.290 1.00 33.56 O +ATOM 11325 N LEU F 178 24.049 30.163 108.022 1.00 26.29 N +ATOM 11326 CA LEU F 178 23.247 30.002 109.227 1.00 25.61 C +ATOM 11327 C LEU F 178 22.195 31.092 109.372 1.00 26.72 C +ATOM 11328 O LEU F 178 21.364 31.027 110.274 1.00 28.48 O +ATOM 11329 CB LEU F 178 24.134 29.951 110.478 1.00 23.70 C +ATOM 11330 CG LEU F 178 25.040 28.731 110.653 1.00 25.02 C +ATOM 11331 CD1 LEU F 178 25.719 28.742 111.996 1.00 19.29 C +ATOM 11332 CD2 LEU F 178 24.291 27.399 110.469 1.00 25.86 C +ATOM 11333 N VAL F 179 22.222 32.093 108.498 1.00 26.79 N +ATOM 11334 CA VAL F 179 21.309 33.224 108.627 1.00 27.03 C +ATOM 11335 C VAL F 179 20.609 33.567 107.305 1.00 28.18 C +ATOM 11336 O VAL F 179 21.249 33.804 106.295 1.00 28.63 O +ATOM 11337 CB VAL F 179 22.021 34.478 109.255 1.00 28.84 C +ATOM 11338 CG1 VAL F 179 23.411 34.651 108.718 1.00 25.92 C +ATOM 11339 CG2 VAL F 179 21.198 35.751 109.016 1.00 28.74 C +ATOM 11340 N ASN F 180 19.283 33.578 107.317 1.00 29.32 N +ATOM 11341 CA ASN F 180 18.514 34.057 106.193 1.00 30.33 C +ATOM 11342 C ASN F 180 17.865 35.362 106.619 1.00 27.66 C +ATOM 11343 O ASN F 180 16.804 35.359 107.259 1.00 26.82 O +ATOM 11344 CB ASN F 180 17.467 33.021 105.749 1.00 33.30 C +ATOM 11345 CG ASN F 180 18.095 31.770 105.070 1.00 43.62 C +ATOM 11346 OD1 ASN F 180 19.077 31.870 104.317 1.00 62.26 O +ATOM 11347 ND2 ASN F 180 17.509 30.588 105.332 1.00 54.80 N +ATOM 11348 N LEU F 181 18.507 36.473 106.255 1.00 26.70 N +ATOM 11349 CA LEU F 181 18.038 37.795 106.633 1.00 27.20 C +ATOM 11350 C LEU F 181 16.558 38.039 106.297 1.00 27.14 C +ATOM 11351 O LEU F 181 15.879 38.728 107.055 1.00 26.61 O +ATOM 11352 CB LEU F 181 18.936 38.893 106.031 1.00 27.34 C +ATOM 11353 CG LEU F 181 18.758 40.329 106.534 1.00 28.54 C +ATOM 11354 CD1 LEU F 181 19.072 40.434 108.026 1.00 27.66 C +ATOM 11355 CD2 LEU F 181 19.636 41.251 105.742 1.00 25.40 C +ATOM 11356 N ALA F 182 16.057 37.464 105.189 1.00 28.05 N +ATOM 11357 CA ALA F 182 14.641 37.615 104.786 1.00 28.68 C +ATOM 11358 C ALA F 182 13.652 37.095 105.822 1.00 29.91 C +ATOM 11359 O ALA F 182 12.460 37.414 105.781 1.00 29.83 O +ATOM 11360 CB ALA F 182 14.360 36.915 103.462 1.00 29.44 C +ATOM 11361 N GLU F 183 14.146 36.287 106.749 1.00 30.26 N +ATOM 11362 CA GLU F 183 13.298 35.745 107.816 1.00 31.55 C +ATOM 11363 C GLU F 183 13.160 36.631 109.058 1.00 28.04 C +ATOM 11364 O GLU F 183 12.307 36.364 109.887 1.00 27.32 O +ATOM 11365 CB GLU F 183 13.790 34.348 108.205 1.00 32.03 C +ATOM 11366 CG GLU F 183 13.718 33.417 107.019 1.00 35.10 C +ATOM 11367 CD GLU F 183 14.367 32.086 107.269 1.00 42.04 C +ATOM 11368 OE1 GLU F 183 14.776 31.819 108.450 1.00 43.81 O +ATOM 11369 OE2 GLU F 183 14.465 31.332 106.265 1.00 42.41 O +ATOM 11370 N ALA F 184 13.961 37.701 109.135 1.00 26.55 N +ATOM 11371 CA ALA F 184 13.999 38.598 110.285 1.00 25.32 C +ATOM 11372 C ALA F 184 12.702 39.385 110.482 1.00 26.48 C +ATOM 11373 O ALA F 184 12.036 39.783 109.521 1.00 27.12 O +ATOM 11374 CB ALA F 184 15.199 39.566 110.152 1.00 24.02 C +ATOM 11375 N GLY F 185 12.325 39.574 111.744 1.00 26.10 N +ATOM 11376 CA GLY F 185 11.352 40.577 112.114 1.00 24.63 C +ATOM 11377 C GLY F 185 12.072 41.896 112.383 1.00 25.24 C +ATOM 11378 O GLY F 185 13.321 41.963 112.381 1.00 24.69 O +ATOM 11379 N ASP F 186 11.296 42.950 112.644 1.00 26.41 N +ATOM 11380 CA ASP F 186 11.864 44.295 112.842 1.00 26.66 C +ATOM 11381 C ASP F 186 12.534 44.469 114.186 1.00 27.09 C +ATOM 11382 O ASP F 186 13.193 45.485 114.398 1.00 26.73 O +ATOM 11383 CB ASP F 186 10.775 45.389 112.684 1.00 28.17 C +ATOM 11384 CG ASP F 186 10.209 45.461 111.268 1.00 32.15 C +ATOM 11385 OD1 ASP F 186 10.858 44.945 110.330 1.00 42.84 O +ATOM 11386 OD2 ASP F 186 9.121 46.050 111.078 1.00 40.80 O +ATOM 11387 N GLY F 187 12.365 43.511 115.102 1.00 26.84 N +ATOM 11388 CA GLY F 187 12.968 43.636 116.422 1.00 26.85 C +ATOM 11389 C GLY F 187 12.481 44.855 117.203 1.00 26.93 C +ATOM 11390 O GLY F 187 13.233 45.449 117.966 1.00 25.14 O +ATOM 11391 N GLU F 188 11.204 45.201 117.024 1.00 27.75 N +ATOM 11392 CA GLU F 188 10.625 46.323 117.754 1.00 30.47 C +ATOM 11393 C GLU F 188 10.656 46.027 119.273 1.00 30.55 C +ATOM 11394 O GLU F 188 10.393 44.895 119.710 1.00 29.99 O +ATOM 11395 CB GLU F 188 9.207 46.642 117.250 1.00 29.53 C +ATOM 11396 N SER F 189 11.038 47.043 120.055 1.00 32.00 N +ATOM 11397 CA SER F 189 11.122 46.942 121.522 1.00 32.94 C +ATOM 11398 C SER F 189 10.315 48.054 122.230 1.00 33.81 C +ATOM 11399 O SER F 189 10.045 49.134 121.670 1.00 34.42 O +ATOM 11400 CB SER F 189 12.587 46.975 121.985 1.00 33.07 C +ATOM 11401 OG SER F 189 13.233 48.161 121.560 1.00 36.19 O +ATOM 11402 N LYS F 190 9.923 47.755 123.463 1.00 32.71 N +ATOM 11403 CA LYS F 190 9.052 48.624 124.234 1.00 34.58 C +ATOM 11404 C LYS F 190 9.806 48.938 125.519 1.00 31.77 C +ATOM 11405 O LYS F 190 10.395 48.039 126.109 1.00 31.06 O +ATOM 11406 CB LYS F 190 7.730 47.893 124.499 1.00 35.06 C +ATOM 11407 CG LYS F 190 6.588 48.791 124.850 1.00 42.66 C +ATOM 11408 CD LYS F 190 5.248 48.064 124.772 1.00 45.20 C +ATOM 11409 CE LYS F 190 4.850 47.428 126.098 1.00 53.46 C +ATOM 11410 NZ LYS F 190 4.234 48.397 127.031 1.00 53.78 N +ATOM 11411 N PRO F 191 9.853 50.217 125.922 1.00 30.66 N +ATOM 11412 CA PRO F 191 10.575 50.579 127.137 1.00 29.78 C +ATOM 11413 C PRO F 191 9.738 50.297 128.379 1.00 26.89 C +ATOM 11414 O PRO F 191 8.578 49.900 128.259 1.00 26.53 O +ATOM 11415 CB PRO F 191 10.789 52.088 126.960 1.00 29.97 C +ATOM 11416 CG PRO F 191 9.582 52.511 126.245 1.00 30.59 C +ATOM 11417 CD PRO F 191 9.249 51.405 125.293 1.00 30.63 C +ATOM 11418 N PHE F 192 10.331 50.516 129.547 1.00 26.40 N +ATOM 11419 CA PHE F 192 9.621 50.434 130.842 1.00 25.98 C +ATOM 11420 C PHE F 192 8.636 51.577 130.958 1.00 26.21 C +ATOM 11421 O PHE F 192 8.823 52.609 130.314 1.00 26.08 O +ATOM 11422 CB PHE F 192 10.604 50.533 132.007 1.00 25.74 C +ATOM 11423 CG PHE F 192 11.593 49.396 132.082 1.00 23.36 C +ATOM 11424 CD1 PHE F 192 11.156 48.087 132.244 1.00 24.36 C +ATOM 11425 CD2 PHE F 192 12.972 49.644 132.063 1.00 24.19 C +ATOM 11426 CE1 PHE F 192 12.099 47.037 132.333 1.00 24.33 C +ATOM 11427 CE2 PHE F 192 13.897 48.615 132.163 1.00 22.85 C +ATOM 11428 CZ PHE F 192 13.456 47.320 132.321 1.00 24.78 C +ATOM 11429 N ALA F 193 7.595 51.379 131.769 1.00 26.61 N +ATOM 11430 CA ALA F 193 6.639 52.439 132.132 1.00 27.26 C +ATOM 11431 C ALA F 193 7.137 53.288 133.317 1.00 28.27 C +ATOM 11432 O ALA F 193 6.509 54.315 133.658 1.00 29.64 O +ATOM 11433 CB ALA F 193 5.271 51.823 132.461 1.00 24.47 C +ATOM 11434 N ILE F 194 8.231 52.839 133.951 1.00 28.08 N +ATOM 11435 CA ILE F 194 8.918 53.572 135.028 1.00 25.58 C +ATOM 11436 C ILE F 194 10.095 54.384 134.435 1.00 26.22 C +ATOM 11437 O ILE F 194 11.139 53.826 134.167 1.00 26.67 O +ATOM 11438 CB ILE F 194 9.435 52.587 136.120 1.00 24.56 C +ATOM 11439 CG1 ILE F 194 8.233 51.904 136.784 1.00 26.82 C +ATOM 11440 CG2 ILE F 194 10.320 53.315 137.151 1.00 19.34 C +ATOM 11441 CD1 ILE F 194 8.566 50.631 137.617 1.00 25.11 C +ATOM 11442 N ALA F 195 9.913 55.688 134.230 1.00 25.49 N +ATOM 11443 CA ALA F 195 10.875 56.523 133.458 1.00 25.01 C +ATOM 11444 C ALA F 195 12.328 56.421 133.950 1.00 24.73 C +ATOM 11445 O ALA F 195 13.244 56.263 133.156 1.00 25.53 O +ATOM 11446 CB ALA F 195 10.450 57.984 133.465 1.00 23.56 C +ATOM 11447 N SER F 196 12.512 56.498 135.268 1.00 24.44 N +ATOM 11448 CA SER F 196 13.830 56.417 135.910 1.00 23.88 C +ATOM 11449 C SER F 196 14.579 55.145 135.544 1.00 23.68 C +ATOM 11450 O SER F 196 15.806 55.149 135.477 1.00 23.14 O +ATOM 11451 CB SER F 196 13.706 56.557 137.432 1.00 24.02 C +ATOM 11452 OG SER F 196 13.092 57.809 137.763 1.00 27.12 O +ATOM 11453 N LEU F 197 13.850 54.064 135.274 1.00 23.98 N +ATOM 11454 CA LEU F 197 14.512 52.829 134.810 1.00 24.25 C +ATOM 11455 C LEU F 197 14.935 52.968 133.364 1.00 25.10 C +ATOM 11456 O LEU F 197 15.967 52.424 132.986 1.00 26.17 O +ATOM 11457 CB LEU F 197 13.642 51.586 134.988 1.00 23.56 C +ATOM 11458 CG LEU F 197 13.251 51.172 136.392 1.00 24.20 C +ATOM 11459 CD1 LEU F 197 12.506 49.845 136.355 1.00 22.75 C +ATOM 11460 CD2 LEU F 197 14.468 51.139 137.342 1.00 17.84 C +ATOM 11461 N ASN F 198 14.168 53.688 132.548 1.00 26.47 N +ATOM 11462 CA ASN F 198 14.604 53.952 131.161 1.00 27.34 C +ATOM 11463 C ASN F 198 15.837 54.876 131.169 1.00 27.87 C +ATOM 11464 O ASN F 198 16.769 54.690 130.388 1.00 27.48 O +ATOM 11465 CB ASN F 198 13.487 54.539 130.300 1.00 27.65 C +ATOM 11466 CG ASN F 198 12.327 53.587 130.111 1.00 26.58 C +ATOM 11467 OD1 ASN F 198 12.502 52.367 129.973 1.00 29.48 O +ATOM 11468 ND2 ASN F 198 11.134 54.131 130.110 1.00 25.49 N +ATOM 11469 N GLU F 199 15.851 55.823 132.110 1.00 28.70 N +ATOM 11470 CA GLU F 199 16.963 56.753 132.286 1.00 30.93 C +ATOM 11471 C GLU F 199 18.172 56.099 132.925 1.00 29.93 C +ATOM 11472 O GLU F 199 19.232 56.695 132.956 1.00 29.82 O +ATOM 11473 CB GLU F 199 16.550 57.930 133.180 1.00 30.59 C +ATOM 11474 CG GLU F 199 15.501 58.881 132.613 1.00 37.16 C +ATOM 11475 CD GLU F 199 14.788 59.687 133.720 1.00 39.60 C +ATOM 11476 OE1 GLU F 199 15.362 59.808 134.848 1.00 47.92 O +ATOM 11477 OE2 GLU F 199 13.660 60.178 133.456 1.00 51.54 O +ATOM 11478 N LYS F 200 18.006 54.900 133.476 1.00 30.05 N +ATOM 11479 CA LYS F 200 19.110 54.148 134.108 1.00 30.10 C +ATOM 11480 C LYS F 200 19.586 54.698 135.459 1.00 27.64 C +ATOM 11481 O LYS F 200 20.745 54.520 135.827 1.00 27.48 O +ATOM 11482 CB LYS F 200 20.288 53.965 133.145 1.00 31.21 C +ATOM 11483 CG LYS F 200 19.844 53.267 131.867 1.00 36.17 C +ATOM 11484 CD LYS F 200 20.972 52.929 130.930 1.00 39.85 C +ATOM 11485 CE LYS F 200 20.355 52.267 129.666 1.00 49.73 C +ATOM 11486 NZ LYS F 200 21.361 51.807 128.689 1.00 54.26 N +ATOM 11487 N VAL F 201 18.667 55.305 136.216 1.00 25.11 N +ATOM 11488 CA VAL F 201 18.936 55.655 137.642 1.00 24.40 C +ATOM 11489 C VAL F 201 19.178 54.350 138.427 1.00 23.66 C +ATOM 11490 O VAL F 201 20.052 54.288 139.285 1.00 23.14 O +ATOM 11491 CB VAL F 201 17.776 56.451 138.295 1.00 23.82 C +ATOM 11492 CG1 VAL F 201 18.017 56.617 139.823 1.00 18.14 C +ATOM 11493 CG2 VAL F 201 17.562 57.789 137.563 1.00 22.18 C +ATOM 11494 N ALA F 202 18.403 53.320 138.099 1.00 22.51 N +ATOM 11495 CA ALA F 202 18.606 51.970 138.610 1.00 21.26 C +ATOM 11496 C ALA F 202 18.389 50.930 137.479 1.00 21.95 C +ATOM 11497 O ALA F 202 17.888 51.254 136.422 1.00 21.91 O +ATOM 11498 CB ALA F 202 17.655 51.700 139.827 1.00 19.17 C +ATOM 11499 N TRP F 203 18.754 49.682 137.745 1.00 22.12 N +ATOM 11500 CA TRP F 203 18.658 48.591 136.770 1.00 20.67 C +ATOM 11501 C TRP F 203 17.652 47.511 137.166 1.00 20.24 C +ATOM 11502 O TRP F 203 17.695 47.002 138.302 1.00 18.45 O +ATOM 11503 CB TRP F 203 20.032 47.916 136.647 1.00 21.56 C +ATOM 11504 CG TRP F 203 20.042 46.784 135.656 1.00 21.21 C +ATOM 11505 CD1 TRP F 203 20.253 46.884 134.312 1.00 23.50 C +ATOM 11506 CD2 TRP F 203 19.814 45.402 135.923 1.00 21.13 C +ATOM 11507 NE1 TRP F 203 20.181 45.644 133.725 1.00 23.91 N +ATOM 11508 CE2 TRP F 203 19.896 44.717 134.685 1.00 24.88 C +ATOM 11509 CE3 TRP F 203 19.563 44.665 137.083 1.00 21.07 C +ATOM 11510 CZ2 TRP F 203 19.750 43.334 134.588 1.00 25.08 C +ATOM 11511 CZ3 TRP F 203 19.407 43.293 136.976 1.00 22.12 C +ATOM 11512 CH2 TRP F 203 19.516 42.644 135.755 1.00 20.74 C +ATOM 11513 N VAL F 204 16.761 47.189 136.229 1.00 19.23 N +ATOM 11514 CA VAL F 204 15.849 46.062 136.281 1.00 20.41 C +ATOM 11515 C VAL F 204 16.081 45.308 134.963 1.00 21.64 C +ATOM 11516 O VAL F 204 16.444 45.936 133.957 1.00 21.48 O +ATOM 11517 CB VAL F 204 14.344 46.549 136.429 1.00 21.33 C +ATOM 11518 CG1 VAL F 204 13.293 45.410 136.188 1.00 18.72 C +ATOM 11519 CG2 VAL F 204 14.141 47.132 137.783 1.00 18.79 C +ATOM 11520 N PRO F 205 15.937 43.966 134.962 1.00 21.59 N +ATOM 11521 CA PRO F 205 16.011 43.284 133.675 1.00 22.31 C +ATOM 11522 C PRO F 205 14.781 43.569 132.793 1.00 22.78 C +ATOM 11523 O PRO F 205 13.646 43.675 133.273 1.00 23.41 O +ATOM 11524 CB PRO F 205 16.081 41.797 134.063 1.00 21.29 C +ATOM 11525 CG PRO F 205 15.399 41.720 135.396 1.00 21.21 C +ATOM 11526 CD PRO F 205 15.715 43.024 136.081 1.00 23.25 C +ATOM 11527 N ARG F 206 15.026 43.735 131.504 1.00 24.03 N +ATOM 11528 CA ARG F 206 13.968 43.781 130.507 1.00 25.26 C +ATOM 11529 C ARG F 206 13.153 42.489 130.587 1.00 22.75 C +ATOM 11530 O ARG F 206 13.716 41.396 130.676 1.00 21.40 O +ATOM 11531 CB ARG F 206 14.628 43.892 129.118 1.00 26.59 C +ATOM 11532 CG ARG F 206 13.669 43.948 127.933 1.00 30.41 C +ATOM 11533 CD ARG F 206 14.388 43.862 126.562 1.00 32.66 C +ATOM 11534 NE ARG F 206 15.410 44.897 126.319 1.00 38.93 N +ATOM 11535 CZ ARG F 206 15.178 46.123 125.831 1.00 46.67 C +ATOM 11536 NH1 ARG F 206 13.945 46.559 125.552 1.00 45.40 N +ATOM 11537 NH2 ARG F 206 16.201 46.947 125.635 1.00 47.25 N +ATOM 11538 N HIS F 207 11.825 42.615 130.545 1.00 22.62 N +ATOM 11539 CA HIS F 207 10.949 41.459 130.410 1.00 22.51 C +ATOM 11540 C HIS F 207 10.669 41.222 128.929 1.00 24.08 C +ATOM 11541 O HIS F 207 10.058 42.059 128.258 1.00 23.78 O +ATOM 11542 CB HIS F 207 9.668 41.669 131.196 1.00 22.78 C +ATOM 11543 CG HIS F 207 9.884 41.728 132.675 1.00 21.69 C +ATOM 11544 ND1 HIS F 207 8.960 41.261 133.579 1.00 24.64 N +ATOM 11545 CD2 HIS F 207 10.939 42.164 133.407 1.00 23.13 C +ATOM 11546 CE1 HIS F 207 9.437 41.406 134.808 1.00 26.51 C +ATOM 11547 NE2 HIS F 207 10.634 41.959 134.731 1.00 22.60 N +ATOM 11548 N TRP F 208 11.153 40.092 128.423 1.00 23.98 N +ATOM 11549 CA TRP F 208 11.105 39.786 127.003 1.00 24.20 C +ATOM 11550 C TRP F 208 9.675 39.672 126.488 1.00 25.59 C +ATOM 11551 O TRP F 208 9.366 40.130 125.384 1.00 25.22 O +ATOM 11552 CB TRP F 208 11.896 38.515 126.705 1.00 24.19 C +ATOM 11553 CG TRP F 208 13.024 38.771 125.804 1.00 24.91 C +ATOM 11554 CD1 TRP F 208 13.085 38.456 124.485 1.00 24.55 C +ATOM 11555 CD2 TRP F 208 14.245 39.430 126.115 1.00 24.27 C +ATOM 11556 NE1 TRP F 208 14.277 38.844 123.954 1.00 23.63 N +ATOM 11557 CE2 TRP F 208 15.007 39.473 124.919 1.00 26.95 C +ATOM 11558 CE3 TRP F 208 14.770 40.001 127.271 1.00 26.60 C +ATOM 11559 CZ2 TRP F 208 16.267 40.045 124.849 1.00 23.72 C +ATOM 11560 CZ3 TRP F 208 16.033 40.578 127.207 1.00 27.54 C +ATOM 11561 CH2 TRP F 208 16.769 40.592 125.998 1.00 29.20 C +ATOM 11562 N ASP F 209 8.800 39.110 127.328 1.00 25.92 N +ATOM 11563 CA ASP F 209 7.373 38.968 126.991 1.00 28.26 C +ATOM 11564 C ASP F 209 6.634 40.301 126.821 1.00 29.16 C +ATOM 11565 O ASP F 209 5.725 40.414 126.007 1.00 29.51 O +ATOM 11566 CB ASP F 209 6.651 38.080 128.009 1.00 28.29 C +ATOM 11567 CG ASP F 209 6.651 38.662 129.403 1.00 29.75 C +ATOM 11568 OD1 ASP F 209 7.738 39.011 129.898 1.00 27.62 O +ATOM 11569 OD2 ASP F 209 5.546 38.767 129.987 1.00 35.32 O +ATOM 11570 N LYS F 210 7.050 41.315 127.562 1.00 29.64 N +ATOM 11571 CA LYS F 210 6.421 42.624 127.484 1.00 29.78 C +ATOM 11572 C LYS F 210 7.116 43.516 126.477 1.00 29.93 C +ATOM 11573 O LYS F 210 6.468 44.347 125.859 1.00 31.45 O +ATOM 11574 CB LYS F 210 6.465 43.314 128.840 1.00 29.80 C +ATOM 11575 CG LYS F 210 5.907 42.495 129.977 1.00 33.26 C +ATOM 11576 CD LYS F 210 4.425 42.275 129.881 1.00 40.47 C +ATOM 11577 CE LYS F 210 3.929 41.518 131.117 1.00 46.39 C +ATOM 11578 NZ LYS F 210 4.644 41.940 132.380 1.00 51.35 N +ATOM 11579 N ALA F 211 8.435 43.346 126.338 1.00 29.32 N +ATOM 11580 CA ALA F 211 9.311 44.299 125.636 1.00 29.33 C +ATOM 11581 C ALA F 211 9.556 43.996 124.163 1.00 30.42 C +ATOM 11582 O ALA F 211 10.023 44.880 123.464 1.00 32.25 O +ATOM 11583 CB ALA F 211 10.711 44.402 126.341 1.00 28.47 C +ATOM 11584 N THR F 212 9.313 42.757 123.713 1.00 30.65 N +ATOM 11585 CA ATHR F 212 9.701 42.290 122.377 0.50 30.28 C +ATOM 11586 CA BTHR F 212 9.597 42.418 122.317 0.50 31.89 C +ATOM 11587 C THR F 212 8.610 41.434 121.711 1.00 32.52 C +ATOM 11588 O THR F 212 7.895 40.692 122.399 1.00 35.37 O +ATOM 11589 CB ATHR F 212 10.963 41.391 122.456 0.50 29.43 C +ATOM 11590 CB BTHR F 212 11.074 41.958 122.081 0.50 32.10 C +ATOM 11591 OG1ATHR F 212 10.573 40.073 122.856 0.50 27.21 O +ATOM 11592 OG1BTHR F 212 11.279 41.681 120.679 0.50 30.88 O +ATOM 11593 CG2ATHR F 212 12.000 41.941 123.444 0.50 19.44 C +ATOM 11594 CG2BTHR F 212 11.411 40.742 122.912 0.50 30.79 C +ATOM 11595 N VAL F 213 8.555 41.475 120.385 1.00 32.88 N +ATOM 11596 CA VAL F 213 7.545 40.779 119.606 1.00 33.30 C +ATOM 11597 C VAL F 213 8.128 39.497 118.999 1.00 31.58 C +ATOM 11598 O VAL F 213 7.506 38.424 119.051 1.00 32.00 O +ATOM 11599 CB VAL F 213 7.043 41.705 118.479 1.00 35.19 C +ATOM 11600 CG1 VAL F 213 5.820 41.113 117.806 1.00 38.17 C +ATOM 11601 CG2 VAL F 213 6.737 43.137 119.042 1.00 37.94 C +ATOM 11602 N ASP F 214 9.325 39.612 118.441 1.00 28.81 N +ATOM 11603 CA ASP F 214 9.978 38.475 117.765 1.00 29.09 C +ATOM 11604 C ASP F 214 11.220 37.953 118.499 1.00 27.26 C +ATOM 11605 O ASP F 214 11.917 37.105 117.969 1.00 25.93 O +ATOM 11606 CB ASP F 214 10.315 38.854 116.316 1.00 27.79 C +ATOM 11607 CG ASP F 214 11.057 40.170 116.215 1.00 30.88 C +ATOM 11608 OD1 ASP F 214 11.938 40.405 117.047 1.00 27.26 O +ATOM 11609 OD2 ASP F 214 10.746 40.972 115.314 1.00 35.47 O +ATOM 11610 N SER F 215 11.460 38.472 119.714 1.00 26.03 N +ATOM 11611 CA SER F 215 12.598 38.123 120.592 1.00 25.72 C +ATOM 11612 C SER F 215 13.861 38.932 120.274 1.00 25.27 C +ATOM 11613 O SER F 215 14.817 38.895 121.021 1.00 26.91 O +ATOM 11614 CB SER F 215 12.895 36.602 120.602 1.00 25.56 C +ATOM 11615 OG SER F 215 13.755 36.210 119.551 1.00 24.41 O +ATOM 11616 N GLY F 216 13.853 39.683 119.180 1.00 23.83 N +ATOM 11617 CA GLY F 216 14.945 40.604 118.878 1.00 22.69 C +ATOM 11618 C GLY F 216 14.733 41.955 119.532 1.00 22.56 C +ATOM 11619 O GLY F 216 13.597 42.370 119.795 1.00 22.34 O +ATOM 11620 N VAL F 217 15.836 42.635 119.812 1.00 23.57 N +ATOM 11621 CA VAL F 217 15.825 44.041 120.245 1.00 23.99 C +ATOM 11622 C VAL F 217 16.722 44.833 119.287 1.00 24.41 C +ATOM 11623 O VAL F 217 17.922 44.894 119.475 1.00 23.50 O +ATOM 11624 CB VAL F 217 16.364 44.230 121.713 1.00 23.94 C +ATOM 11625 CG1 VAL F 217 16.302 45.713 122.133 1.00 24.35 C +ATOM 11626 CG2 VAL F 217 15.603 43.383 122.703 1.00 23.18 C +ATOM 11627 N GLY F 218 16.112 45.446 118.266 1.00 25.27 N +ATOM 11628 CA GLY F 218 16.841 46.157 117.218 1.00 25.56 C +ATOM 11629 C GLY F 218 16.509 45.591 115.843 1.00 26.64 C +ATOM 11630 O GLY F 218 16.418 44.358 115.677 1.00 26.14 O +ATOM 11631 N ASN F 219 16.323 46.497 114.865 1.00 27.09 N +ATOM 11632 CA ASN F 219 16.093 46.139 113.457 1.00 26.40 C +ATOM 11633 C ASN F 219 17.411 45.724 112.799 1.00 24.44 C +ATOM 11634 O ASN F 219 18.334 46.532 112.709 1.00 25.17 O +ATOM 11635 CB ASN F 219 15.447 47.311 112.688 1.00 26.93 C +ATOM 11636 CG ASN F 219 14.845 46.882 111.363 1.00 29.72 C +ATOM 11637 OD1 ASN F 219 15.329 45.948 110.726 1.00 28.11 O +ATOM 11638 ND2 ASN F 219 13.749 47.534 110.964 1.00 23.74 N +ATOM 11639 N PRO F 220 17.516 44.441 112.358 1.00 23.44 N +ATOM 11640 CA PRO F 220 18.718 43.885 111.767 1.00 24.80 C +ATOM 11641 C PRO F 220 18.761 43.961 110.246 1.00 25.77 C +ATOM 11642 O PRO F 220 19.682 43.424 109.641 1.00 24.44 O +ATOM 11643 CB PRO F 220 18.596 42.420 112.155 1.00 24.47 C +ATOM 11644 CG PRO F 220 17.172 42.166 112.051 1.00 18.48 C +ATOM 11645 CD PRO F 220 16.472 43.415 112.420 1.00 23.23 C +ATOM 11646 N LYS F 221 17.768 44.591 109.641 1.00 26.83 N +ATOM 11647 CA LYS F 221 17.563 44.471 108.209 1.00 27.92 C +ATOM 11648 C LYS F 221 18.554 45.199 107.256 1.00 27.12 C +ATOM 11649 O LYS F 221 18.615 44.849 106.102 1.00 27.29 O +ATOM 11650 CB LYS F 221 16.079 44.719 107.868 1.00 27.44 C +ATOM 11651 CG LYS F 221 15.191 43.584 108.448 1.00 26.33 C +ATOM 11652 CD LYS F 221 13.721 43.686 108.058 1.00 30.56 C +ATOM 11653 CE LYS F 221 12.862 42.771 108.928 1.00 27.00 C +ATOM 11654 NZ LYS F 221 11.369 42.749 108.590 1.00 20.57 N +ATOM 11655 N LYS F 222 19.383 46.113 107.755 1.00 26.82 N +ATOM 11656 CA LYS F 222 20.483 46.675 106.964 1.00 26.64 C +ATOM 11657 C LYS F 222 21.807 45.958 107.198 1.00 25.34 C +ATOM 11658 O LYS F 222 22.855 46.405 106.693 1.00 24.46 O +ATOM 11659 CB LYS F 222 20.626 48.177 107.237 1.00 27.67 C +ATOM 11660 CG LYS F 222 19.293 48.918 107.150 1.00 30.57 C +ATOM 11661 CD LYS F 222 19.438 50.423 107.270 1.00 38.82 C +ATOM 11662 CE LYS F 222 18.102 51.101 106.941 1.00 47.96 C +ATOM 11663 NZ LYS F 222 18.170 52.597 107.009 1.00 52.60 N +ATOM 11664 N ALA F 223 21.753 44.841 107.934 1.00 23.94 N +ATOM 11665 CA ALA F 223 22.898 43.959 108.152 1.00 22.69 C +ATOM 11666 C ALA F 223 23.537 43.460 106.821 1.00 22.81 C +ATOM 11667 O ALA F 223 22.817 43.141 105.869 1.00 22.52 O +ATOM 11668 CB ALA F 223 22.445 42.744 109.033 1.00 19.10 C +ATOM 11669 N THR F 224 24.870 43.428 106.745 1.00 22.09 N +ATOM 11670 CA THR F 224 25.571 42.831 105.616 1.00 21.79 C +ATOM 11671 C THR F 224 26.828 42.113 106.121 1.00 22.14 C +ATOM 11672 O THR F 224 27.353 42.470 107.160 1.00 21.43 O +ATOM 11673 CB THR F 224 25.996 43.909 104.551 1.00 23.64 C +ATOM 11674 OG1 THR F 224 27.080 44.705 105.044 1.00 18.05 O +ATOM 11675 CG2 THR F 224 24.854 44.823 104.181 1.00 20.34 C +ATOM 11676 N ALA F 225 27.309 41.113 105.374 1.00 21.64 N +ATOM 11677 CA ALA F 225 28.558 40.430 105.667 1.00 21.48 C +ATOM 11678 C ALA F 225 29.750 41.392 105.757 1.00 23.96 C +ATOM 11679 O ALA F 225 30.635 41.251 106.600 1.00 24.09 O +ATOM 11680 CB ALA F 225 28.844 39.339 104.585 1.00 19.03 C +ATOM 11681 N GLU F 226 29.785 42.373 104.870 1.00 25.91 N +ATOM 11682 CA GLU F 226 30.868 43.345 104.866 1.00 24.44 C +ATOM 11683 C GLU F 226 30.895 44.248 106.076 1.00 23.93 C +ATOM 11684 O GLU F 226 31.953 44.549 106.591 1.00 23.14 O +ATOM 11685 CB GLU F 226 30.773 44.239 103.624 1.00 26.64 C +ATOM 11686 CG GLU F 226 31.923 45.222 103.544 1.00 29.46 C +ATOM 11687 CD GLU F 226 31.933 46.000 102.266 1.00 39.31 C +ATOM 11688 OE1 GLU F 226 32.110 45.385 101.186 1.00 41.79 O +ATOM 11689 OE2 GLU F 226 31.761 47.236 102.353 1.00 48.47 O +ATOM 11690 N LYS F 227 29.740 44.729 106.510 1.00 22.97 N +ATOM 11691 CA LYS F 227 29.722 45.463 107.774 1.00 23.80 C +ATOM 11692 C LYS F 227 30.308 44.625 108.920 1.00 23.05 C +ATOM 11693 O LYS F 227 31.048 45.137 109.732 1.00 23.76 O +ATOM 11694 CB LYS F 227 28.322 45.924 108.136 1.00 23.69 C +ATOM 11695 CG LYS F 227 27.762 47.058 107.298 1.00 22.04 C +ATOM 11696 CD LYS F 227 26.350 47.329 107.734 1.00 23.58 C +ATOM 11697 CE LYS F 227 25.782 48.542 107.111 1.00 25.44 C +ATOM 11698 NZ LYS F 227 24.298 48.699 107.348 1.00 22.65 N +ATOM 11699 N GLY F 228 29.989 43.339 108.958 1.00 23.36 N +ATOM 11700 CA GLY F 228 30.456 42.428 110.016 1.00 22.91 C +ATOM 11701 C GLY F 228 31.954 42.216 109.939 1.00 23.59 C +ATOM 11702 O GLY F 228 32.661 42.247 110.948 1.00 23.38 O +ATOM 11703 N GLU F 229 32.435 42.031 108.710 1.00 25.02 N +ATOM 11704 CA GLU F 229 33.868 41.839 108.446 1.00 26.71 C +ATOM 11705 C GLU F 229 34.691 43.000 108.934 1.00 25.43 C +ATOM 11706 O GLU F 229 35.770 42.801 109.522 1.00 25.17 O +ATOM 11707 CB GLU F 229 34.107 41.641 106.955 1.00 24.43 C +ATOM 11708 CG GLU F 229 35.562 41.520 106.574 1.00 30.79 C +ATOM 11709 CD GLU F 229 35.735 41.275 105.076 1.00 36.72 C +ATOM 11710 OE1 GLU F 229 35.019 41.917 104.259 1.00 46.01 O +ATOM 11711 OE2 GLU F 229 36.574 40.417 104.725 1.00 50.94 O +ATOM 11712 N ARG F 230 34.203 44.213 108.683 1.00 25.08 N +ATOM 11713 CA ARG F 230 34.943 45.413 109.065 1.00 26.52 C +ATOM 11714 C ARG F 230 34.987 45.688 110.575 1.00 25.01 C +ATOM 11715 O ARG F 230 36.007 46.124 111.104 1.00 25.61 O +ATOM 11716 CB ARG F 230 34.384 46.622 108.312 1.00 29.21 C +ATOM 11717 CG ARG F 230 34.572 46.433 106.840 1.00 33.57 C +ATOM 11718 CD ARG F 230 34.336 47.664 106.058 1.00 43.26 C +ATOM 11719 NE ARG F 230 34.688 47.416 104.666 1.00 47.60 N +ATOM 11720 CZ ARG F 230 34.497 48.279 103.672 1.00 51.22 C +ATOM 11721 NH1 ARG F 230 33.963 49.487 103.896 1.00 40.86 N +ATOM 11722 NH2 ARG F 230 34.849 47.926 102.441 1.00 53.10 N +ATOM 11723 N TYR F 231 33.870 45.457 111.238 1.00 23.21 N +ATOM 11724 CA TYR F 231 33.776 45.549 112.679 1.00 22.50 C +ATOM 11725 C TYR F 231 34.674 44.551 113.386 1.00 22.22 C +ATOM 11726 O TYR F 231 35.277 44.902 114.393 1.00 24.36 O +ATOM 11727 CB TYR F 231 32.328 45.351 113.112 1.00 22.78 C +ATOM 11728 CG TYR F 231 32.005 45.521 114.590 1.00 25.00 C +ATOM 11729 CD1 TYR F 231 32.496 46.606 115.340 1.00 20.85 C +ATOM 11730 CD2 TYR F 231 31.153 44.626 115.224 1.00 22.96 C +ATOM 11731 CE1 TYR F 231 32.166 46.760 116.666 1.00 22.48 C +ATOM 11732 CE2 TYR F 231 30.811 44.788 116.550 1.00 23.41 C +ATOM 11733 CZ TYR F 231 31.329 45.838 117.270 1.00 22.29 C +ATOM 11734 OH TYR F 231 30.990 45.947 118.591 1.00 24.25 O +ATOM 11735 N VAL F 232 34.765 43.305 112.913 1.00 22.89 N +ATOM 11736 CA VAL F 232 35.539 42.306 113.671 1.00 22.15 C +ATOM 11737 C VAL F 232 37.015 42.507 113.516 1.00 23.39 C +ATOM 11738 O VAL F 232 37.770 42.143 114.421 1.00 23.53 O +ATOM 11739 CB VAL F 232 35.130 40.802 113.406 1.00 24.61 C +ATOM 11740 CG1 VAL F 232 33.630 40.584 113.723 1.00 21.17 C +ATOM 11741 CG2 VAL F 232 35.510 40.314 112.003 1.00 22.30 C +ATOM 11742 N LYS F 233 37.451 43.125 112.415 1.00 23.41 N +ATOM 11743 CA LYS F 233 38.889 43.372 112.222 1.00 26.12 C +ATOM 11744 C LYS F 233 39.563 44.033 113.430 1.00 22.66 C +ATOM 11745 O LYS F 233 40.512 43.470 113.984 1.00 23.86 O +ATOM 11746 CB LYS F 233 39.190 44.146 110.920 1.00 24.86 C +ATOM 11747 CG LYS F 233 40.625 43.919 110.430 1.00 31.20 C +ATOM 11748 CD LYS F 233 41.050 44.953 109.350 1.00 35.96 C +ATOM 11749 CE LYS F 233 42.526 44.758 108.959 1.00 40.59 C +ATOM 11750 NZ LYS F 233 42.943 45.654 107.844 1.00 51.19 N +ATOM 11751 N PRO F 234 39.077 45.216 113.865 1.00 21.85 N +ATOM 11752 CA PRO F 234 39.680 45.809 115.071 1.00 22.26 C +ATOM 11753 C PRO F 234 39.510 45.006 116.389 1.00 21.33 C +ATOM 11754 O PRO F 234 40.408 45.034 117.262 1.00 20.97 O +ATOM 11755 CB PRO F 234 38.965 47.171 115.172 1.00 22.25 C +ATOM 11756 CG PRO F 234 37.680 46.981 114.445 1.00 20.42 C +ATOM 11757 CD PRO F 234 38.010 46.077 113.322 1.00 22.22 C +ATOM 11758 N ILE F 235 38.366 44.323 116.539 1.00 21.79 N +ATOM 11759 CA ILE F 235 38.087 43.471 117.722 1.00 20.60 C +ATOM 11760 C ILE F 235 39.184 42.402 117.794 1.00 20.81 C +ATOM 11761 O ILE F 235 39.866 42.223 118.818 1.00 22.33 O +ATOM 11762 CB ILE F 235 36.622 42.848 117.655 1.00 22.12 C +ATOM 11763 CG1 ILE F 235 35.549 43.946 117.705 1.00 18.53 C +ATOM 11764 CG2 ILE F 235 36.366 41.834 118.783 1.00 18.94 C +ATOM 11765 CD1 ILE F 235 34.107 43.465 117.367 1.00 16.17 C +ATOM 11766 N VAL F 236 39.390 41.731 116.667 1.00 20.72 N +ATOM 11767 CA VAL F 236 40.389 40.656 116.556 1.00 20.49 C +ATOM 11768 C VAL F 236 41.791 41.119 116.868 1.00 21.71 C +ATOM 11769 O VAL F 236 42.536 40.448 117.598 1.00 22.10 O +ATOM 11770 CB VAL F 236 40.315 39.982 115.167 1.00 20.01 C +ATOM 11771 CG1 VAL F 236 41.628 39.202 114.886 1.00 18.50 C +ATOM 11772 CG2 VAL F 236 39.043 39.053 115.124 1.00 19.33 C +ATOM 11773 N GLU F 237 42.138 42.301 116.362 1.00 23.19 N +ATOM 11774 CA GLU F 237 43.473 42.860 116.566 1.00 23.14 C +ATOM 11775 C GLU F 237 43.718 43.281 118.028 1.00 21.76 C +ATOM 11776 O GLU F 237 44.799 43.028 118.601 1.00 21.73 O +ATOM 11777 CB GLU F 237 43.674 44.051 115.585 1.00 24.98 C +ATOM 11778 CG GLU F 237 45.147 44.475 115.430 1.00 31.86 C +ATOM 11779 CD GLU F 237 45.673 45.199 116.653 1.00 37.82 C +ATOM 11780 OE1 GLU F 237 44.912 46.016 117.224 1.00 45.06 O +ATOM 11781 OE2 GLU F 237 46.832 44.941 117.062 1.00 39.89 O +ATOM 11782 N LYS F 238 42.717 43.916 118.645 1.00 22.00 N +ATOM 11783 CA LYS F 238 42.815 44.235 120.085 1.00 23.42 C +ATOM 11784 C LYS F 238 42.900 42.995 120.971 1.00 22.11 C +ATOM 11785 O LYS F 238 43.647 42.980 121.937 1.00 22.28 O +ATOM 11786 CB LYS F 238 41.639 45.078 120.559 1.00 23.25 C +ATOM 11787 CG LYS F 238 41.796 46.571 120.378 1.00 28.44 C +ATOM 11788 CD LYS F 238 40.755 47.320 121.253 1.00 33.13 C +ATOM 11789 CE LYS F 238 40.561 48.766 120.792 1.00 45.11 C +ATOM 11790 NZ LYS F 238 41.858 49.449 120.470 1.00 46.49 N +ATOM 11791 N LEU F 239 42.117 41.962 120.666 1.00 22.30 N +ATOM 11792 CA LEU F 239 42.151 40.731 121.454 1.00 21.23 C +ATOM 11793 C LEU F 239 43.510 40.041 121.308 1.00 21.08 C +ATOM 11794 O LEU F 239 44.117 39.638 122.299 1.00 20.43 O +ATOM 11795 CB LEU F 239 40.968 39.803 121.088 1.00 21.87 C +ATOM 11796 CG LEU F 239 39.616 40.234 121.676 1.00 21.27 C +ATOM 11797 CD1 LEU F 239 38.396 39.535 121.051 1.00 16.80 C +ATOM 11798 CD2 LEU F 239 39.584 40.081 123.252 1.00 22.99 C +ATOM 11799 N ALA F 240 44.014 39.959 120.080 1.00 21.33 N +ATOM 11800 CA ALA F 240 45.347 39.431 119.832 1.00 20.78 C +ATOM 11801 C ALA F 240 46.403 40.135 120.698 1.00 20.63 C +ATOM 11802 O ALA F 240 47.264 39.493 121.294 1.00 22.84 O +ATOM 11803 CB ALA F 240 45.706 39.576 118.339 1.00 19.50 C +ATOM 11804 N GLY F 241 46.332 41.460 120.740 1.00 21.25 N +ATOM 11805 CA GLY F 241 47.198 42.245 121.609 1.00 21.57 C +ATOM 11806 C GLY F 241 47.107 41.908 123.105 1.00 21.98 C +ATOM 11807 O GLY F 241 48.138 41.814 123.802 1.00 22.63 O +ATOM 11808 N LEU F 242 45.892 41.726 123.590 1.00 21.13 N +ATOM 11809 CA LEU F 242 45.662 41.298 124.962 1.00 21.11 C +ATOM 11810 C LEU F 242 46.201 39.912 125.226 1.00 21.79 C +ATOM 11811 O LEU F 242 46.815 39.669 126.279 1.00 21.61 O +ATOM 11812 CB LEU F 242 44.164 41.334 125.295 1.00 21.91 C +ATOM 11813 CG LEU F 242 43.707 40.668 126.607 1.00 20.07 C +ATOM 11814 CD1 LEU F 242 44.063 41.510 127.757 1.00 21.03 C +ATOM 11815 CD2 LEU F 242 42.184 40.438 126.579 1.00 20.77 C +ATOM 11816 N PHE F 243 45.966 38.983 124.298 1.00 22.43 N +ATOM 11817 CA PHE F 243 46.558 37.640 124.432 1.00 23.53 C +ATOM 11818 C PHE F 243 48.085 37.750 124.563 1.00 23.77 C +ATOM 11819 O PHE F 243 48.679 37.132 125.417 1.00 24.96 O +ATOM 11820 CB PHE F 243 46.255 36.710 123.231 1.00 24.18 C +ATOM 11821 CG PHE F 243 44.786 36.452 122.968 1.00 24.95 C +ATOM 11822 CD1 PHE F 243 43.781 36.945 123.792 1.00 27.09 C +ATOM 11823 CD2 PHE F 243 44.421 35.676 121.890 1.00 26.09 C +ATOM 11824 CE1 PHE F 243 42.448 36.702 123.503 1.00 24.57 C +ATOM 11825 CE2 PHE F 243 43.089 35.415 121.614 1.00 21.83 C +ATOM 11826 CZ PHE F 243 42.103 35.935 122.418 1.00 23.32 C +ATOM 11827 N GLU F 244 48.719 38.521 123.693 1.00 24.02 N +ATOM 11828 CA GLU F 244 50.200 38.622 123.721 1.00 24.44 C +ATOM 11829 C GLU F 244 50.722 39.197 125.027 1.00 24.08 C +ATOM 11830 O GLU F 244 51.667 38.674 125.597 1.00 25.68 O +ATOM 11831 CB GLU F 244 50.729 39.484 122.570 1.00 23.50 C +ATOM 11832 CG GLU F 244 50.659 38.836 121.174 1.00 26.66 C +ATOM 11833 CD GLU F 244 50.440 39.859 120.055 1.00 32.77 C +ATOM 11834 OE1 GLU F 244 50.323 41.063 120.395 1.00 33.41 O +ATOM 11835 OE2 GLU F 244 50.378 39.472 118.851 1.00 35.01 O +ATOM 11836 N GLU F 245 50.120 40.284 125.487 1.00 24.94 N +ATOM 11837 CA GLU F 245 50.550 40.932 126.737 1.00 25.28 C +ATOM 11838 C GLU F 245 50.252 40.076 127.958 1.00 26.10 C +ATOM 11839 O GLU F 245 51.039 40.053 128.891 1.00 27.16 O +ATOM 11840 CB GLU F 245 49.881 42.275 126.910 1.00 25.08 C +ATOM 11841 CG GLU F 245 50.211 43.282 125.846 1.00 27.73 C +ATOM 11842 CD GLU F 245 49.151 44.373 125.768 1.00 29.95 C +ATOM 11843 OE1 GLU F 245 48.098 44.222 126.446 1.00 32.90 O +ATOM 11844 OE2 GLU F 245 49.346 45.373 125.032 1.00 35.01 O +HETATM11845 N MSE F 246 49.129 39.366 127.966 1.00 25.77 N +HETATM11846 CA MSE F 246 48.873 38.382 129.027 1.00 26.28 C +HETATM11847 C MSE F 246 49.946 37.318 129.095 1.00 28.45 C +HETATM11848 O MSE F 246 50.383 36.961 130.193 1.00 28.78 O +HETATM11849 CB MSE F 246 47.509 37.713 128.869 1.00 25.84 C +HETATM11850 CG MSE F 246 46.351 38.602 129.268 1.00 24.79 C +HETATM11851 SE MSE F 246 44.634 37.702 128.995 0.75 31.57 SE +HETATM11852 CE MSE F 246 44.739 36.435 130.533 1.00 21.42 C +ATOM 11853 N ALA F 247 50.387 36.836 127.927 1.00 29.85 N +ATOM 11854 CA ALA F 247 51.474 35.836 127.832 1.00 30.79 C +ATOM 11855 C ALA F 247 52.838 36.356 128.251 1.00 30.86 C +ATOM 11856 O ALA F 247 53.647 35.601 128.803 1.00 31.49 O +ATOM 11857 CB ALA F 247 51.582 35.290 126.416 1.00 30.04 C +ATOM 11858 N GLN F 248 53.104 37.630 127.971 1.00 30.82 N +ATOM 11859 CA GLN F 248 54.470 38.184 128.095 1.00 33.40 C +ATOM 11860 C GLN F 248 54.708 38.998 129.378 1.00 33.62 C +ATOM 11861 O GLN F 248 55.837 39.335 129.700 1.00 34.60 O +ATOM 11862 CB GLN F 248 54.777 39.014 126.845 1.00 33.36 C +ATOM 11863 CG GLN F 248 54.992 38.101 125.617 1.00 37.41 C +ATOM 11864 CD GLN F 248 54.991 38.828 124.272 1.00 38.71 C +ATOM 11865 OE1 GLN F 248 54.777 40.054 124.195 1.00 45.23 O +ATOM 11866 NE2 GLN F 248 55.226 38.060 123.194 1.00 39.58 N +ATOM 11867 N HIS F 249 53.645 39.312 130.106 1.00 33.09 N +ATOM 11868 CA HIS F 249 53.765 40.072 131.352 1.00 33.07 C +ATOM 11869 C HIS F 249 52.973 39.439 132.455 1.00 32.33 C +ATOM 11870 O HIS F 249 51.958 38.801 132.229 1.00 32.96 O +ATOM 11871 CB HIS F 249 53.233 41.490 131.205 1.00 34.45 C +ATOM 11872 CG HIS F 249 53.877 42.266 130.111 1.00 36.10 C +ATOM 11873 ND1 HIS F 249 55.141 42.800 130.229 1.00 40.85 N +ATOM 11874 CD2 HIS F 249 53.436 42.593 128.876 1.00 37.88 C +ATOM 11875 CE1 HIS F 249 55.447 43.432 129.109 1.00 43.83 C +ATOM 11876 NE2 HIS F 249 54.430 43.322 128.273 1.00 40.12 N +ATOM 11877 N ASP F 250 53.450 39.648 133.666 1.00 32.22 N +ATOM 11878 CA ASP F 250 52.652 39.424 134.846 1.00 31.62 C +ATOM 11879 C ASP F 250 51.698 40.615 135.012 1.00 28.51 C +ATOM 11880 O ASP F 250 51.863 41.663 134.387 1.00 27.53 O +ATOM 11881 CB ASP F 250 53.543 39.217 136.074 1.00 33.47 C +ATOM 11882 CG ASP F 250 54.455 37.994 135.930 1.00 41.92 C +ATOM 11883 OD1 ASP F 250 54.219 37.171 135.019 1.00 44.75 O +ATOM 11884 OD2 ASP F 250 55.418 37.865 136.716 1.00 50.55 O +ATOM 11885 N LEU F 251 50.674 40.415 135.827 1.00 26.61 N +ATOM 11886 CA LEU F 251 49.630 41.425 136.038 1.00 25.92 C +ATOM 11887 C LEU F 251 50.197 42.754 136.549 1.00 25.94 C +ATOM 11888 O LEU F 251 49.759 43.831 136.152 1.00 24.67 O +ATOM 11889 CB LEU F 251 48.601 40.886 137.040 1.00 25.96 C +ATOM 11890 CG LEU F 251 47.314 41.700 137.269 1.00 26.19 C +ATOM 11891 CD1 LEU F 251 46.684 42.027 135.927 1.00 24.02 C +ATOM 11892 CD2 LEU F 251 46.378 40.893 138.176 1.00 20.79 C +ATOM 11893 N TYR F 252 51.159 42.659 137.452 1.00 27.28 N +ATOM 11894 CA TYR F 252 51.898 43.827 137.976 1.00 28.58 C +ATOM 11895 C TYR F 252 53.375 43.448 137.964 1.00 31.86 C +ATOM 11896 O TYR F 252 53.718 42.267 138.162 1.00 31.82 O +ATOM 11897 CB TYR F 252 51.510 44.136 139.415 1.00 28.18 C +ATOM 11898 CG TYR F 252 50.076 44.550 139.624 1.00 24.61 C +ATOM 11899 CD1 TYR F 252 49.718 45.878 139.550 1.00 24.40 C +ATOM 11900 CD2 TYR F 252 49.088 43.614 139.935 1.00 22.24 C +ATOM 11901 CE1 TYR F 252 48.386 46.293 139.762 1.00 28.78 C +ATOM 11902 CE2 TYR F 252 47.746 44.026 140.155 1.00 20.32 C +ATOM 11903 CZ TYR F 252 47.412 45.352 140.063 1.00 21.94 C +ATOM 11904 OH TYR F 252 46.110 45.766 140.264 1.00 28.44 O +ATOM 11905 N GLU F 253 54.246 44.422 137.720 1.00 36.71 N +ATOM 11906 CA GLU F 253 55.667 44.126 137.608 1.00 41.49 C +ATOM 11907 C GLU F 253 56.553 45.142 138.349 1.00 44.56 C +ATOM 11908 O GLU F 253 56.111 46.224 138.797 1.00 46.19 O +ATOM 11909 CB GLU F 253 56.043 43.985 136.118 1.00 42.57 C +ATOM 11910 CG GLU F 253 55.566 42.628 135.506 1.00 45.07 C +ATOM 11911 CD GLU F 253 55.767 42.503 134.000 1.00 42.92 C +ATOM 11912 OE1 GLU F 253 55.839 43.547 133.293 1.00 40.13 O +ATOM 11913 OE2 GLU F 253 55.855 41.339 133.529 1.00 44.42 O +ATOM 11914 OXT GLU F 253 57.752 44.844 138.532 1.00 47.67 O +TER 11915 GLU F 253 +HETATM11916 N MSE G 1 16.301 105.085 145.207 1.00 39.13 N +HETATM11917 CA MSE G 1 16.198 104.156 144.039 1.00 40.03 C +HETATM11918 C MSE G 1 14.804 104.237 143.418 1.00 37.57 C +HETATM11919 O MSE G 1 13.800 104.057 144.111 1.00 38.16 O +HETATM11920 CB MSE G 1 16.477 102.716 144.483 1.00 40.43 C +HETATM11921 CG MSE G 1 16.114 101.644 143.461 1.00 42.44 C +HETATM11922 SE MSE G 1 16.463 99.792 144.043 0.75 44.80 SE +HETATM11923 CE MSE G 1 18.317 100.089 144.886 1.00 40.89 C +ATOM 11924 N ASN G 2 14.721 104.486 142.117 1.00 33.66 N +ATOM 11925 CA ASN G 2 13.417 104.665 141.482 1.00 31.12 C +ATOM 11926 C ASN G 2 13.267 103.814 140.239 1.00 29.65 C +ATOM 11927 O ASN G 2 13.614 104.235 139.145 1.00 28.04 O +ATOM 11928 CB ASN G 2 13.215 106.148 141.172 1.00 31.54 C +ATOM 11929 CG ASN G 2 11.785 106.484 140.794 1.00 30.12 C +ATOM 11930 OD1 ASN G 2 11.078 105.690 140.179 1.00 29.85 O +ATOM 11931 ND2 ASN G 2 11.354 107.696 141.168 1.00 31.53 N +ATOM 11932 N LYS G 3 12.732 102.613 140.416 1.00 28.74 N +ATOM 11933 CA LYS G 3 12.567 101.674 139.311 1.00 30.18 C +ATOM 11934 C LYS G 3 11.551 102.134 138.225 1.00 28.66 C +ATOM 11935 O LYS G 3 11.547 101.644 137.106 1.00 28.15 O +ATOM 11936 CB LYS G 3 12.163 100.312 139.863 1.00 32.03 C +ATOM 11937 CG LYS G 3 13.205 99.612 140.723 1.00 32.77 C +ATOM 11938 CD LYS G 3 12.841 98.111 140.848 1.00 33.52 C +ATOM 11939 CE LYS G 3 13.810 97.287 141.695 1.00 35.28 C +ATOM 11940 NZ LYS G 3 13.447 95.823 141.642 1.00 31.51 N +ATOM 11941 N GLU G 4 10.721 103.114 138.525 1.00 27.65 N +ATOM 11942 CA GLU G 4 9.816 103.629 137.518 1.00 27.35 C +ATOM 11943 C GLU G 4 10.481 104.466 136.422 1.00 23.79 C +ATOM 11944 O GLU G 4 9.989 104.465 135.298 1.00 24.53 O +ATOM 11945 CB GLU G 4 8.745 104.470 138.190 1.00 28.16 C +ATOM 11946 CG GLU G 4 7.534 104.703 137.344 1.00 30.78 C +ATOM 11947 CD GLU G 4 6.358 105.263 138.161 1.00 33.89 C +ATOM 11948 OE1 GLU G 4 6.487 105.370 139.396 1.00 41.04 O +ATOM 11949 OE2 GLU G 4 5.320 105.603 137.564 1.00 29.50 O +ATOM 11950 N VAL G 5 11.556 105.199 136.734 1.00 21.53 N +ATOM 11951 CA VAL G 5 12.137 106.158 135.772 1.00 20.98 C +ATOM 11952 C VAL G 5 13.642 106.033 135.566 1.00 20.55 C +ATOM 11953 O VAL G 5 14.235 106.817 134.836 1.00 20.59 O +ATOM 11954 CB VAL G 5 11.804 107.676 136.159 1.00 20.32 C +ATOM 11955 CG1 VAL G 5 10.272 107.921 136.246 1.00 18.25 C +ATOM 11956 CG2 VAL G 5 12.524 108.111 137.428 1.00 15.32 C +ATOM 11957 N ASP G 6 14.267 105.056 136.208 1.00 20.02 N +ATOM 11958 CA ASP G 6 15.713 104.878 136.146 1.00 19.48 C +ATOM 11959 C ASP G 6 16.070 103.433 135.684 1.00 20.30 C +ATOM 11960 O ASP G 6 16.069 102.460 136.484 1.00 20.67 O +ATOM 11961 CB ASP G 6 16.292 105.177 137.518 1.00 19.77 C +ATOM 11962 CG ASP G 6 17.813 105.119 137.549 1.00 20.46 C +ATOM 11963 OD1 ASP G 6 18.450 104.908 136.489 1.00 24.06 O +ATOM 11964 OD2 ASP G 6 18.366 105.323 138.645 1.00 22.26 O +ATOM 11965 N LEU G 7 16.356 103.280 134.394 1.00 19.05 N +ATOM 11966 CA LEU G 7 16.498 101.930 133.846 1.00 19.98 C +ATOM 11967 C LEU G 7 17.638 101.177 134.514 1.00 20.95 C +ATOM 11968 O LEU G 7 17.571 99.964 134.624 1.00 22.18 O +ATOM 11969 CB LEU G 7 16.674 101.934 132.317 1.00 18.23 C +ATOM 11970 CG LEU G 7 16.351 100.562 131.731 1.00 18.02 C +ATOM 11971 CD1 LEU G 7 14.778 100.378 131.567 1.00 13.92 C +ATOM 11972 CD2 LEU G 7 17.130 100.325 130.426 1.00 15.44 C +ATOM 11973 N SER G 8 18.658 101.906 134.978 1.00 21.27 N +ATOM 11974 CA SER G 8 19.788 101.338 135.696 1.00 21.92 C +ATOM 11975 C SER G 8 19.447 100.497 136.921 1.00 22.71 C +ATOM 11976 O SER G 8 20.221 99.619 137.294 1.00 23.07 O +ATOM 11977 CB SER G 8 20.740 102.462 136.109 1.00 23.00 C +ATOM 11978 OG SER G 8 21.141 103.168 134.955 1.00 23.70 O +ATOM 11979 N VAL G 9 18.291 100.726 137.542 1.00 22.55 N +ATOM 11980 CA VAL G 9 17.875 99.877 138.661 1.00 22.72 C +ATOM 11981 C VAL G 9 16.509 99.159 138.397 1.00 23.83 C +ATOM 11982 O VAL G 9 16.057 98.355 139.202 1.00 26.82 O +ATOM 11983 CB VAL G 9 17.859 100.697 140.009 1.00 21.97 C +ATOM 11984 CG1 VAL G 9 19.237 101.251 140.338 1.00 21.47 C +ATOM 11985 CG2 VAL G 9 16.808 101.813 139.982 1.00 20.59 C +ATOM 11986 N SER G 10 15.884 99.432 137.261 1.00 22.48 N +ATOM 11987 CA SER G 10 14.567 98.911 136.981 1.00 21.87 C +ATOM 11988 C SER G 10 14.565 97.461 136.429 1.00 22.80 C +ATOM 11989 O SER G 10 15.604 96.900 136.070 1.00 21.91 O +ATOM 11990 CB SER G 10 13.826 99.855 136.031 1.00 22.93 C +ATOM 11991 OG SER G 10 12.438 99.508 135.973 1.00 22.31 O +ATOM 11992 N CYS G 11 13.371 96.890 136.363 1.00 22.61 N +ATOM 11993 CA CYS G 11 13.160 95.548 135.839 1.00 23.16 C +ATOM 11994 C CYS G 11 11.888 95.520 135.006 1.00 23.33 C +ATOM 11995 O CYS G 11 11.076 96.443 135.090 1.00 23.51 O +ATOM 11996 CB CYS G 11 13.083 94.544 136.984 1.00 23.45 C +ATOM 11997 SG CYS G 11 11.848 95.005 138.172 1.00 23.50 S +ATOM 11998 N LEU G 12 11.724 94.475 134.182 1.00 23.51 N +ATOM 11999 CA LEU G 12 10.598 94.431 133.233 1.00 24.00 C +ATOM 12000 C LEU G 12 9.270 94.485 133.997 1.00 25.53 C +ATOM 12001 O LEU G 12 8.352 95.160 133.569 1.00 25.95 O +ATOM 12002 CB LEU G 12 10.646 93.187 132.326 1.00 22.75 C +ATOM 12003 CG LEU G 12 9.534 92.984 131.307 1.00 24.01 C +ATOM 12004 CD1 LEU G 12 9.431 94.187 130.370 1.00 22.52 C +ATOM 12005 CD2 LEU G 12 9.811 91.742 130.480 1.00 23.29 C +ATOM 12006 N GLY G 13 9.187 93.785 135.132 1.00 26.27 N +ATOM 12007 CA GLY G 13 7.951 93.724 135.892 1.00 26.98 C +ATOM 12008 C GLY G 13 7.440 95.085 136.346 1.00 28.33 C +ATOM 12009 O GLY G 13 6.245 95.273 136.502 1.00 28.50 O +ATOM 12010 N LYS G 14 8.349 96.028 136.560 1.00 28.75 N +ATOM 12011 CA LYS G 14 7.989 97.349 137.038 1.00 30.40 C +ATOM 12012 C LYS G 14 7.558 98.254 135.879 1.00 30.89 C +ATOM 12013 O LYS G 14 6.730 99.139 136.044 1.00 35.28 O +ATOM 12014 CB LYS G 14 9.165 97.968 137.816 1.00 31.52 C +ATOM 12015 CG LYS G 14 8.951 99.436 138.228 1.00 39.59 C +ATOM 12016 CD LYS G 14 7.857 99.608 139.295 1.00 46.87 C +ATOM 12017 CE LYS G 14 7.543 101.089 139.569 1.00 50.15 C +ATOM 12018 NZ LYS G 14 7.056 101.310 140.976 1.00 51.68 N +ATOM 12019 N VAL G 15 8.098 98.040 134.699 1.00 29.33 N +ATOM 12020 CA VAL G 15 7.823 98.957 133.589 1.00 28.43 C +ATOM 12021 C VAL G 15 6.805 98.479 132.562 1.00 29.31 C +ATOM 12022 O VAL G 15 6.308 99.286 131.775 1.00 27.22 O +ATOM 12023 CB VAL G 15 9.113 99.316 132.812 1.00 28.80 C +ATOM 12024 CG1 VAL G 15 10.133 99.850 133.747 1.00 26.31 C +ATOM 12025 CG2 VAL G 15 9.632 98.111 132.042 1.00 26.50 C +ATOM 12026 N LYS G 16 6.499 97.181 132.543 1.00 31.02 N +ATOM 12027 CA LYS G 16 5.791 96.603 131.390 1.00 34.83 C +ATOM 12028 C LYS G 16 4.345 97.092 131.207 1.00 35.12 C +ATOM 12029 O LYS G 16 3.872 97.169 130.069 1.00 35.46 O +ATOM 12030 CB LYS G 16 5.825 95.072 131.429 1.00 35.58 C +ATOM 12031 CG LYS G 16 4.857 94.389 132.427 1.00 37.54 C +ATOM 12032 CD LYS G 16 4.911 92.872 132.205 1.00 40.83 C +ATOM 12033 CE LYS G 16 3.919 92.145 133.095 1.00 50.49 C +ATOM 12034 NZ LYS G 16 4.005 90.659 132.948 1.00 55.73 N +ATOM 12035 N GLU G 17 3.649 97.408 132.299 1.00 36.13 N +ATOM 12036 CA GLU G 17 2.266 97.882 132.206 1.00 39.70 C +ATOM 12037 C GLU G 17 2.147 99.402 132.315 1.00 38.61 C +ATOM 12038 O GLU G 17 1.035 99.898 132.455 1.00 39.67 O +ATOM 12039 CB GLU G 17 1.356 97.237 133.285 1.00 42.50 C +ATOM 12040 CG GLU G 17 1.228 95.681 133.262 1.00 49.17 C +ATOM 12041 CD GLU G 17 0.888 95.124 131.881 1.00 55.38 C +ATOM 12042 OE1 GLU G 17 0.162 95.801 131.124 1.00 61.48 O +ATOM 12043 OE2 GLU G 17 1.350 94.011 131.544 1.00 61.14 O +ATOM 12044 N LEU G 18 3.259 100.139 132.258 1.00 35.56 N +ATOM 12045 CA LEU G 18 3.226 101.598 132.328 1.00 32.92 C +ATOM 12046 C LEU G 18 3.448 102.203 130.941 1.00 31.92 C +ATOM 12047 O LEU G 18 4.113 101.597 130.087 1.00 32.16 O +ATOM 12048 CB LEU G 18 4.293 102.108 133.303 1.00 32.48 C +ATOM 12049 CG LEU G 18 4.189 101.667 134.770 1.00 29.24 C +ATOM 12050 CD1 LEU G 18 5.269 102.321 135.581 1.00 23.03 C +ATOM 12051 CD2 LEU G 18 2.832 102.000 135.391 1.00 30.26 C +ATOM 12052 N LYS G 19 2.860 103.393 130.724 1.00 30.63 N +ATOM 12053 CA LYS G 19 3.039 104.184 129.500 1.00 29.91 C +ATOM 12054 C LYS G 19 4.166 105.199 129.689 1.00 26.87 C +ATOM 12055 O LYS G 19 4.178 105.913 130.652 1.00 24.28 O +ATOM 12056 CB LYS G 19 1.752 104.948 129.157 1.00 31.65 C +ATOM 12057 CG LYS G 19 1.784 105.663 127.786 1.00 39.83 C +ATOM 12058 CD LYS G 19 0.734 106.775 127.685 1.00 42.66 C +ATOM 12059 CE LYS G 19 0.896 107.566 126.376 1.00 54.48 C +ATOM 12060 NZ LYS G 19 -0.189 108.602 126.133 1.00 54.54 N +ATOM 12061 N TYR G 20 5.102 105.265 128.751 1.00 25.18 N +ATOM 12062 CA TYR G 20 6.221 106.195 128.849 1.00 24.41 C +ATOM 12063 C TYR G 20 6.111 107.170 127.693 1.00 23.88 C +ATOM 12064 O TYR G 20 5.918 106.773 126.542 1.00 25.73 O +ATOM 12065 CB TYR G 20 7.583 105.454 128.854 1.00 22.69 C +ATOM 12066 CG TYR G 20 7.860 104.736 130.159 1.00 21.68 C +ATOM 12067 CD1 TYR G 20 7.342 103.469 130.414 1.00 20.66 C +ATOM 12068 CD2 TYR G 20 8.633 105.324 131.140 1.00 19.71 C +ATOM 12069 CE1 TYR G 20 7.575 102.829 131.632 1.00 18.98 C +ATOM 12070 CE2 TYR G 20 8.867 104.683 132.351 1.00 19.93 C +ATOM 12071 CZ TYR G 20 8.330 103.448 132.592 1.00 17.79 C +ATOM 12072 OH TYR G 20 8.583 102.843 133.796 1.00 22.56 O +ATOM 12073 N ASP G 21 6.253 108.445 128.015 1.00 24.74 N +ATOM 12074 CA ASP G 21 6.082 109.537 127.051 1.00 26.12 C +ATOM 12075 C ASP G 21 7.401 109.981 126.362 1.00 26.14 C +ATOM 12076 O ASP G 21 7.447 110.212 125.140 1.00 27.54 O +ATOM 12077 CB ASP G 21 5.416 110.715 127.790 1.00 27.75 C +ATOM 12078 CG ASP G 21 4.045 110.328 128.411 1.00 30.84 C +ATOM 12079 OD1 ASP G 21 3.165 109.932 127.619 1.00 36.32 O +ATOM 12080 OD2 ASP G 21 3.853 110.401 129.661 1.00 30.46 O +ATOM 12081 N VAL G 22 8.470 110.117 127.147 1.00 24.39 N +ATOM 12082 CA VAL G 22 9.745 110.588 126.618 1.00 22.96 C +ATOM 12083 C VAL G 22 10.864 109.686 127.167 1.00 21.82 C +ATOM 12084 O VAL G 22 10.774 109.200 128.293 1.00 20.43 O +ATOM 12085 CB VAL G 22 9.979 112.078 126.964 1.00 22.95 C +ATOM 12086 CG1 VAL G 22 11.218 112.605 126.304 1.00 22.42 C +ATOM 12087 CG2 VAL G 22 8.743 112.943 126.588 1.00 24.66 C +ATOM 12088 N ILE G 23 11.886 109.448 126.356 1.00 19.78 N +ATOM 12089 CA ILE G 23 13.051 108.670 126.757 1.00 18.27 C +ATOM 12090 C ILE G 23 14.179 109.658 126.875 1.00 18.13 C +ATOM 12091 O ILE G 23 14.334 110.541 126.027 1.00 18.18 O +ATOM 12092 CB ILE G 23 13.449 107.578 125.711 1.00 18.20 C +ATOM 12093 CG1 ILE G 23 12.259 106.649 125.383 1.00 22.04 C +ATOM 12094 CG2 ILE G 23 14.665 106.769 126.166 1.00 14.36 C +ATOM 12095 CD1 ILE G 23 11.751 105.843 126.545 1.00 20.52 C +ATOM 12096 N ILE G 24 14.942 109.521 127.957 1.00 17.65 N +ATOM 12097 CA ILE G 24 16.095 110.338 128.224 1.00 16.83 C +ATOM 12098 C ILE G 24 17.353 109.457 128.153 1.00 16.89 C +ATOM 12099 O ILE G 24 17.426 108.391 128.761 1.00 17.01 O +ATOM 12100 CB ILE G 24 16.054 111.029 129.630 1.00 17.80 C +ATOM 12101 CG1 ILE G 24 14.639 111.476 130.042 1.00 23.04 C +ATOM 12102 CG2 ILE G 24 16.891 112.250 129.620 1.00 13.50 C +ATOM 12103 CD1 ILE G 24 14.055 112.504 129.147 1.00 19.56 C +ATOM 12104 N LEU G 25 18.343 109.949 127.433 1.00 17.30 N +ATOM 12105 CA LEU G 25 19.609 109.264 127.253 1.00 17.52 C +ATOM 12106 C LEU G 25 20.751 110.121 127.815 1.00 17.81 C +ATOM 12107 O LEU G 25 21.168 111.082 127.203 1.00 18.49 O +ATOM 12108 CB LEU G 25 19.827 108.971 125.762 1.00 18.36 C +ATOM 12109 CG LEU G 25 21.099 108.184 125.386 1.00 16.76 C +ATOM 12110 CD1 LEU G 25 21.138 106.763 126.015 1.00 11.81 C +ATOM 12111 CD2 LEU G 25 21.260 108.122 123.873 1.00 18.37 C +ATOM 12112 N PRO G 26 21.234 109.788 129.014 1.00 18.79 N +ATOM 12113 CA PRO G 26 22.395 110.489 129.471 1.00 18.47 C +ATOM 12114 C PRO G 26 23.585 109.997 128.657 1.00 18.73 C +ATOM 12115 O PRO G 26 23.675 108.809 128.352 1.00 18.62 O +ATOM 12116 CB PRO G 26 22.497 110.090 130.960 1.00 20.89 C +ATOM 12117 CG PRO G 26 21.255 109.302 131.278 1.00 19.34 C +ATOM 12118 CD PRO G 26 20.772 108.778 129.988 1.00 20.45 C +ATOM 12119 N TRP G 27 24.453 110.916 128.258 1.00 18.86 N +ATOM 12120 CA TRP G 27 25.615 110.578 127.446 1.00 17.22 C +ATOM 12121 C TRP G 27 26.795 111.317 128.027 1.00 16.45 C +ATOM 12122 O TRP G 27 26.853 112.537 127.986 1.00 16.84 O +ATOM 12123 CB TRP G 27 25.400 110.940 125.991 1.00 15.96 C +ATOM 12124 CG TRP G 27 26.265 110.207 125.016 1.00 14.73 C +ATOM 12125 CD1 TRP G 27 27.610 110.065 125.066 1.00 17.54 C +ATOM 12126 CD2 TRP G 27 25.832 109.529 123.810 1.00 14.05 C +ATOM 12127 NE1 TRP G 27 28.049 109.320 124.002 1.00 13.98 N +ATOM 12128 CE2 TRP G 27 26.980 109.000 123.201 1.00 16.79 C +ATOM 12129 CE3 TRP G 27 24.571 109.317 123.201 1.00 17.84 C +ATOM 12130 CZ2 TRP G 27 26.930 108.248 122.011 1.00 17.80 C +ATOM 12131 CZ3 TRP G 27 24.517 108.565 122.031 1.00 18.26 C +ATOM 12132 CH2 TRP G 27 25.703 108.038 121.444 1.00 16.32 C +ATOM 12133 N GLY G 28 27.730 110.545 128.557 1.00 16.03 N +ATOM 12134 CA GLY G 28 28.891 111.063 129.222 1.00 16.75 C +ATOM 12135 C GLY G 28 30.183 110.806 128.480 1.00 16.86 C +ATOM 12136 O GLY G 28 30.287 111.068 127.273 1.00 16.48 O +ATOM 12137 N ALA G 29 31.150 110.301 129.240 1.00 17.38 N +ATOM 12138 CA ALA G 29 32.532 110.064 128.817 1.00 17.19 C +ATOM 12139 C ALA G 29 33.280 109.312 129.932 1.00 18.03 C +ATOM 12140 O ALA G 29 32.814 109.298 131.068 1.00 18.65 O +ATOM 12141 CB ALA G 29 33.243 111.374 128.528 1.00 13.38 C +ATOM 12142 N THR G 30 34.430 108.704 129.585 1.00 18.77 N +ATOM 12143 CA THR G 30 35.319 108.029 130.526 1.00 18.54 C +ATOM 12144 C THR G 30 36.595 108.853 130.445 1.00 19.80 C +ATOM 12145 O THR G 30 37.356 108.768 129.480 1.00 18.55 O +ATOM 12146 CB THR G 30 35.487 106.518 130.160 1.00 18.78 C +ATOM 12147 OG1 THR G 30 34.195 105.915 130.120 1.00 19.47 O +ATOM 12148 CG2 THR G 30 36.364 105.747 131.175 1.00 13.87 C +ATOM 12149 N GLU G 31 36.779 109.710 131.448 1.00 20.38 N +ATOM 12150 CA GLU G 31 37.672 110.868 131.326 1.00 20.55 C +ATOM 12151 C GLU G 31 38.239 111.325 132.683 1.00 21.20 C +ATOM 12152 O GLU G 31 37.477 111.536 133.642 1.00 21.30 O +ATOM 12153 CB GLU G 31 36.884 112.020 130.680 1.00 19.60 C +ATOM 12154 CG GLU G 31 37.713 113.193 130.233 1.00 22.95 C +ATOM 12155 CD GLU G 31 36.884 114.388 129.792 1.00 22.51 C +ATOM 12156 OE1 GLU G 31 35.740 114.498 130.278 1.00 26.06 O +ATOM 12157 OE2 GLU G 31 37.385 115.229 129.002 1.00 25.08 O +ATOM 12158 N PRO G 32 39.575 111.466 132.786 1.00 22.28 N +ATOM 12159 CA PRO G 32 40.107 112.077 134.007 1.00 22.49 C +ATOM 12160 C PRO G 32 39.506 113.477 134.262 1.00 21.28 C +ATOM 12161 O PRO G 32 39.243 114.233 133.327 1.00 20.03 O +ATOM 12162 CB PRO G 32 41.612 112.187 133.720 1.00 23.40 C +ATOM 12163 CG PRO G 32 41.890 111.101 132.713 1.00 23.13 C +ATOM 12164 CD PRO G 32 40.650 111.045 131.867 1.00 23.32 C +ATOM 12165 N HIS G 33 39.274 113.773 135.538 1.00 20.75 N +ATOM 12166 CA HIS G 33 38.635 115.005 135.973 1.00 19.80 C +ATOM 12167 C HIS G 33 39.434 115.593 137.119 1.00 20.74 C +ATOM 12168 O HIS G 33 39.094 115.412 138.296 1.00 18.59 O +ATOM 12169 CB HIS G 33 37.208 114.716 136.401 1.00 20.07 C +ATOM 12170 CG HIS G 33 36.184 114.828 135.301 1.00 18.61 C +ATOM 12171 ND1 HIS G 33 35.995 113.852 134.338 1.00 17.29 N +ATOM 12172 CD2 HIS G 33 35.210 115.750 135.097 1.00 19.27 C +ATOM 12173 CE1 HIS G 33 34.977 114.198 133.564 1.00 23.50 C +ATOM 12174 NE2 HIS G 33 34.493 115.354 133.989 1.00 18.87 N +ATOM 12175 N ASN G 34 40.528 116.278 136.767 1.00 21.35 N +ATOM 12176 CA ASN G 34 41.476 116.712 137.767 1.00 22.28 C +ATOM 12177 C ASN G 34 41.883 115.427 138.519 1.00 23.42 C +ATOM 12178 O ASN G 34 41.738 114.317 137.985 1.00 24.36 O +ATOM 12179 CB ASN G 34 40.820 117.811 138.672 1.00 23.04 C +ATOM 12180 CG ASN G 34 41.841 118.679 139.410 1.00 23.58 C +ATOM 12181 OD1 ASN G 34 42.874 118.172 139.863 1.00 24.49 O +ATOM 12182 ND2 ASN G 34 41.567 119.986 139.517 1.00 21.77 N +ATOM 12183 N LEU G 35 42.359 115.556 139.750 1.00 23.91 N +ATOM 12184 CA LEU G 35 42.774 114.392 140.565 1.00 23.03 C +ATOM 12185 C LEU G 35 41.661 113.797 141.412 1.00 22.24 C +ATOM 12186 O LEU G 35 41.762 112.650 141.844 1.00 24.28 O +ATOM 12187 CB LEU G 35 43.965 114.779 141.458 1.00 21.62 C +ATOM 12188 CG LEU G 35 45.147 115.344 140.648 1.00 22.86 C +ATOM 12189 CD1 LEU G 35 46.272 115.906 141.513 1.00 23.38 C +ATOM 12190 CD2 LEU G 35 45.661 114.313 139.680 1.00 21.75 C +ATOM 12191 N HIS G 36 40.579 114.550 141.605 1.00 22.18 N +ATOM 12192 CA HIS G 36 39.609 114.275 142.682 1.00 22.13 C +ATOM 12193 C HIS G 36 38.245 113.721 142.239 1.00 22.51 C +ATOM 12194 O HIS G 36 37.515 113.118 143.052 1.00 22.63 O +ATOM 12195 CB HIS G 36 39.378 115.543 143.511 1.00 23.93 C +ATOM 12196 CG HIS G 36 38.758 116.685 142.750 1.00 22.57 C +ATOM 12197 ND1 HIS G 36 39.334 117.225 141.617 1.00 21.44 N +ATOM 12198 CD2 HIS G 36 37.656 117.446 143.009 1.00 22.41 C +ATOM 12199 CE1 HIS G 36 38.584 118.229 141.177 1.00 21.50 C +ATOM 12200 NE2 HIS G 36 37.553 118.380 141.998 1.00 21.11 N +ATOM 12201 N LEU G 37 37.892 113.946 140.968 1.00 21.29 N +ATOM 12202 CA LEU G 37 36.551 113.624 140.519 1.00 20.48 C +ATOM 12203 C LEU G 37 36.556 112.292 139.789 1.00 19.93 C +ATOM 12204 O LEU G 37 37.560 111.933 139.158 1.00 19.92 O +ATOM 12205 CB LEU G 37 36.015 114.732 139.630 1.00 18.45 C +ATOM 12206 CG LEU G 37 35.359 115.904 140.380 1.00 20.96 C +ATOM 12207 CD1 LEU G 37 35.037 116.989 139.390 1.00 13.60 C +ATOM 12208 CD2 LEU G 37 34.128 115.476 141.167 1.00 20.35 C +ATOM 12209 N PRO G 38 35.435 111.561 139.871 1.00 21.14 N +ATOM 12210 CA PRO G 38 35.392 110.284 139.169 1.00 21.04 C +ATOM 12211 C PRO G 38 35.598 110.349 137.636 1.00 19.83 C +ATOM 12212 O PRO G 38 35.206 111.324 136.974 1.00 18.50 O +ATOM 12213 CB PRO G 38 33.990 109.751 139.484 1.00 22.66 C +ATOM 12214 CG PRO G 38 33.518 110.520 140.643 1.00 24.15 C +ATOM 12215 CD PRO G 38 34.185 111.830 140.614 1.00 18.06 C +ATOM 12216 N TYR G 39 36.208 109.286 137.098 1.00 19.01 N +ATOM 12217 CA TYR G 39 36.298 109.100 135.665 1.00 19.08 C +ATOM 12218 C TYR G 39 34.967 109.147 134.954 1.00 18.21 C +ATOM 12219 O TYR G 39 34.911 109.575 133.815 1.00 18.90 O +ATOM 12220 CB TYR G 39 36.969 107.762 135.313 1.00 20.72 C +ATOM 12221 CG TYR G 39 38.476 107.804 135.290 1.00 18.66 C +ATOM 12222 CD1 TYR G 39 39.198 107.611 136.436 1.00 19.68 C +ATOM 12223 CD2 TYR G 39 39.170 107.957 134.087 1.00 15.74 C +ATOM 12224 CE1 TYR G 39 40.615 107.601 136.417 1.00 19.87 C +ATOM 12225 CE2 TYR G 39 40.559 107.929 134.053 1.00 21.33 C +ATOM 12226 CZ TYR G 39 41.283 107.760 135.249 1.00 22.56 C +ATOM 12227 OH TYR G 39 42.684 107.727 135.243 1.00 23.77 O +ATOM 12228 N LEU G 40 33.908 108.687 135.609 1.00 18.28 N +ATOM 12229 CA LEU G 40 32.550 108.641 135.016 1.00 17.35 C +ATOM 12230 C LEU G 40 31.680 109.842 135.407 1.00 18.14 C +ATOM 12231 O LEU G 40 30.430 109.817 135.258 1.00 18.37 O +ATOM 12232 CB LEU G 40 31.874 107.328 135.426 1.00 17.99 C +ATOM 12233 CG LEU G 40 32.347 106.036 134.726 1.00 20.83 C +ATOM 12234 CD1 LEU G 40 31.563 104.863 135.281 1.00 21.41 C +ATOM 12235 CD2 LEU G 40 32.127 106.145 133.209 1.00 19.00 C +ATOM 12236 N THR G 41 32.321 110.905 135.921 1.00 19.20 N +ATOM 12237 CA THR G 41 31.622 112.187 136.204 1.00 18.53 C +ATOM 12238 C THR G 41 30.588 112.600 135.150 1.00 18.90 C +ATOM 12239 O THR G 41 29.443 112.987 135.494 1.00 18.43 O +ATOM 12240 CB THR G 41 32.657 113.329 136.391 1.00 17.98 C +ATOM 12241 OG1 THR G 41 33.398 113.100 137.598 1.00 15.70 O +ATOM 12242 CG2 THR G 41 31.987 114.677 136.516 1.00 14.48 C +ATOM 12243 N ASP G 42 30.967 112.533 133.873 1.00 19.09 N +ATOM 12244 CA ASP G 42 30.067 112.977 132.781 1.00 18.00 C +ATOM 12245 C ASP G 42 28.888 112.094 132.503 1.00 18.42 C +ATOM 12246 O ASP G 42 27.920 112.546 131.861 1.00 18.62 O +ATOM 12247 CB ASP G 42 30.838 113.203 131.494 1.00 20.53 C +ATOM 12248 CG ASP G 42 31.859 114.296 131.637 1.00 20.45 C +ATOM 12249 OD1 ASP G 42 31.847 114.964 132.697 1.00 21.94 O +ATOM 12250 OD2 ASP G 42 32.674 114.479 130.721 1.00 18.45 O +ATOM 12251 N CYS G 43 28.924 110.862 132.999 1.00 18.65 N +ATOM 12252 CA CYS G 43 27.762 109.973 132.996 1.00 19.82 C +ATOM 12253 C CYS G 43 26.861 110.150 134.220 1.00 19.55 C +ATOM 12254 O CYS G 43 25.629 110.213 134.107 1.00 18.63 O +ATOM 12255 CB CYS G 43 28.230 108.528 132.987 1.00 20.62 C +ATOM 12256 SG CYS G 43 29.090 108.015 131.534 1.00 23.85 S +ATOM 12257 N ILE G 44 27.497 110.182 135.393 1.00 18.81 N +ATOM 12258 CA ILE G 44 26.786 110.253 136.693 1.00 19.02 C +ATOM 12259 C ILE G 44 25.901 111.502 136.806 1.00 19.29 C +ATOM 12260 O ILE G 44 24.748 111.426 137.211 1.00 20.60 O +ATOM 12261 CB ILE G 44 27.833 110.182 137.897 1.00 17.85 C +ATOM 12262 CG1 ILE G 44 28.508 108.806 137.923 1.00 20.63 C +ATOM 12263 CG2 ILE G 44 27.189 110.481 139.263 1.00 17.07 C +ATOM 12264 CD1 ILE G 44 29.833 108.695 138.765 1.00 16.23 C +ATOM 12265 N LEU G 45 26.440 112.650 136.425 1.00 19.19 N +ATOM 12266 CA LEU G 45 25.770 113.930 136.652 1.00 19.02 C +ATOM 12267 C LEU G 45 24.521 114.087 135.794 1.00 18.33 C +ATOM 12268 O LEU G 45 23.462 114.303 136.344 1.00 18.42 O +ATOM 12269 CB LEU G 45 26.740 115.100 136.486 1.00 19.82 C +ATOM 12270 CG LEU G 45 27.815 115.193 137.590 1.00 21.06 C +ATOM 12271 CD1 LEU G 45 28.564 116.521 137.462 1.00 17.64 C +ATOM 12272 CD2 LEU G 45 27.249 114.958 139.038 1.00 17.25 C +ATOM 12273 N PRO G 46 24.618 113.901 134.457 1.00 19.06 N +ATOM 12274 CA PRO G 46 23.355 113.967 133.705 1.00 18.26 C +ATOM 12275 C PRO G 46 22.400 112.827 134.027 1.00 18.40 C +ATOM 12276 O PRO G 46 21.204 112.997 133.902 1.00 20.82 O +ATOM 12277 CB PRO G 46 23.806 113.942 132.246 1.00 21.07 C +ATOM 12278 CG PRO G 46 25.163 113.321 132.264 1.00 17.38 C +ATOM 12279 CD PRO G 46 25.782 113.652 133.574 1.00 16.47 C +ATOM 12280 N HIS G 47 22.898 111.679 134.488 1.00 19.83 N +ATOM 12281 CA HIS G 47 21.977 110.634 134.948 1.00 21.19 C +ATOM 12282 C HIS G 47 21.160 111.078 136.159 1.00 19.34 C +ATOM 12283 O HIS G 47 19.960 110.873 136.204 1.00 19.29 O +ATOM 12284 CB HIS G 47 22.707 109.342 135.309 1.00 22.62 C +ATOM 12285 CG HIS G 47 21.810 108.314 135.934 1.00 16.63 C +ATOM 12286 ND1 HIS G 47 21.660 108.186 137.303 1.00 26.54 N +ATOM 12287 CD2 HIS G 47 21.029 107.357 135.384 1.00 23.63 C +ATOM 12288 CE1 HIS G 47 20.809 107.208 137.564 1.00 24.79 C +ATOM 12289 NE2 HIS G 47 20.411 106.686 136.416 1.00 24.60 N +ATOM 12290 N ASP G 48 21.840 111.630 137.153 1.00 20.93 N +ATOM 12291 CA ASP G 48 21.227 111.988 138.431 1.00 21.06 C +ATOM 12292 C ASP G 48 20.280 113.166 138.267 1.00 20.56 C +ATOM 12293 O ASP G 48 19.174 113.152 138.792 1.00 21.22 O +ATOM 12294 CB ASP G 48 22.304 112.260 139.490 1.00 22.39 C +ATOM 12295 CG ASP G 48 22.964 110.964 140.036 1.00 26.37 C +ATOM 12296 OD1 ASP G 48 22.536 109.829 139.680 1.00 30.72 O +ATOM 12297 OD2 ASP G 48 23.935 111.099 140.814 1.00 28.18 O +ATOM 12298 N ILE G 49 20.705 114.148 137.479 1.00 19.93 N +ATOM 12299 CA ILE G 49 19.863 115.259 137.076 1.00 18.47 C +ATOM 12300 C ILE G 49 18.643 114.801 136.299 1.00 19.40 C +ATOM 12301 O ILE G 49 17.517 115.218 136.613 1.00 20.59 O +ATOM 12302 CB ILE G 49 20.678 116.303 136.309 1.00 19.08 C +ATOM 12303 CG1 ILE G 49 21.690 116.999 137.230 1.00 19.33 C +ATOM 12304 CG2 ILE G 49 19.814 117.349 135.625 1.00 17.78 C +ATOM 12305 CD1 ILE G 49 22.722 117.782 136.445 1.00 20.58 C +ATOM 12306 N ALA G 50 18.818 113.933 135.316 1.00 19.69 N +ATOM 12307 CA ALA G 50 17.660 113.472 134.517 1.00 19.58 C +ATOM 12308 C ALA G 50 16.631 112.731 135.359 1.00 19.03 C +ATOM 12309 O ALA G 50 15.418 112.908 135.158 1.00 20.43 O +ATOM 12310 CB ALA G 50 18.106 112.622 133.317 1.00 17.91 C +ATOM 12311 N VAL G 51 17.090 111.889 136.272 1.00 19.52 N +ATOM 12312 CA VAL G 51 16.195 111.131 137.146 1.00 20.22 C +ATOM 12313 C VAL G 51 15.362 112.078 138.059 1.00 20.90 C +ATOM 12314 O VAL G 51 14.137 111.940 138.155 1.00 21.02 O +ATOM 12315 CB VAL G 51 16.988 110.068 137.947 1.00 22.01 C +ATOM 12316 CG1 VAL G 51 16.189 109.499 139.116 1.00 18.14 C +ATOM 12317 CG2 VAL G 51 17.452 108.920 137.006 1.00 20.70 C +ATOM 12318 N GLU G 52 16.004 113.076 138.661 1.00 21.22 N +ATOM 12319 CA GLU G 52 15.272 114.117 139.409 1.00 20.44 C +ATOM 12320 C GLU G 52 14.213 114.803 138.562 1.00 21.42 C +ATOM 12321 O GLU G 52 13.065 114.928 138.989 1.00 22.48 O +ATOM 12322 CB GLU G 52 16.214 115.172 139.931 1.00 20.25 C +ATOM 12323 CG GLU G 52 16.896 114.873 141.248 1.00 31.60 C +ATOM 12324 CD GLU G 52 17.288 116.166 141.978 1.00 36.07 C +ATOM 12325 OE1 GLU G 52 18.483 116.544 141.961 1.00 38.93 O +ATOM 12326 OE2 GLU G 52 16.386 116.842 142.525 1.00 44.91 O +ATOM 12327 N ALA G 53 14.604 115.246 137.361 1.00 20.86 N +ATOM 12328 CA ALA G 53 13.686 115.922 136.421 1.00 19.26 C +ATOM 12329 C ALA G 53 12.512 115.041 135.997 1.00 20.09 C +ATOM 12330 O ALA G 53 11.374 115.534 135.921 1.00 21.06 O +ATOM 12331 CB ALA G 53 14.448 116.488 135.207 1.00 20.38 C +ATOM 12332 N ALA G 54 12.762 113.750 135.801 1.00 20.00 N +ATOM 12333 CA ALA G 54 11.722 112.779 135.463 1.00 20.90 C +ATOM 12334 C ALA G 54 10.762 112.540 136.627 1.00 21.13 C +ATOM 12335 O ALA G 54 9.544 112.426 136.429 1.00 21.93 O +ATOM 12336 CB ALA G 54 12.339 111.413 134.968 1.00 17.20 C +ATOM 12337 N GLU G 55 11.318 112.469 137.833 1.00 22.60 N +ATOM 12338 CA GLU G 55 10.525 112.415 139.080 1.00 24.13 C +ATOM 12339 C GLU G 55 9.635 113.655 139.254 1.00 23.88 C +ATOM 12340 O GLU G 55 8.444 113.520 139.582 1.00 23.85 O +ATOM 12341 CB GLU G 55 11.447 112.223 140.304 1.00 23.76 C +ATOM 12342 CG GLU G 55 11.976 110.778 140.468 1.00 25.82 C +ATOM 12343 CD GLU G 55 13.087 110.617 141.527 1.00 28.60 C +ATOM 12344 OE1 GLU G 55 13.717 111.639 141.887 1.00 35.97 O +ATOM 12345 OE2 GLU G 55 13.364 109.470 141.963 1.00 34.26 O +ATOM 12346 N LEU G 56 10.184 114.852 139.009 1.00 23.82 N +ATOM 12347 CA LEU G 56 9.397 116.100 139.048 1.00 23.22 C +ATOM 12348 C LEU G 56 8.330 116.147 137.965 1.00 24.81 C +ATOM 12349 O LEU G 56 7.162 116.421 138.268 1.00 25.82 O +ATOM 12350 CB LEU G 56 10.278 117.343 138.945 1.00 25.08 C +ATOM 12351 CG LEU G 56 9.589 118.701 139.107 1.00 27.45 C +ATOM 12352 CD1 LEU G 56 8.851 118.759 140.462 1.00 26.70 C +ATOM 12353 CD2 LEU G 56 10.619 119.843 138.959 1.00 21.44 C +ATOM 12354 N ALA G 57 8.693 115.857 136.719 1.00 24.66 N +ATOM 12355 CA ALA G 57 7.680 115.795 135.670 1.00 24.14 C +ATOM 12356 C ALA G 57 6.578 114.811 136.042 1.00 24.94 C +ATOM 12357 O ALA G 57 5.425 115.101 135.797 1.00 26.66 O +ATOM 12358 CB ALA G 57 8.292 115.447 134.297 1.00 25.13 C +ATOM 12359 N LEU G 58 6.903 113.655 136.622 1.00 24.91 N +ATOM 12360 CA LEU G 58 5.872 112.663 136.920 1.00 25.76 C +ATOM 12361 C LEU G 58 4.914 113.151 138.009 1.00 26.93 C +ATOM 12362 O LEU G 58 3.697 113.082 137.861 1.00 27.63 O +ATOM 12363 CB LEU G 58 6.477 111.302 137.308 1.00 24.80 C +ATOM 12364 CG LEU G 58 5.547 110.122 137.599 1.00 25.31 C +ATOM 12365 CD1 LEU G 58 4.534 109.864 136.486 1.00 23.36 C +ATOM 12366 CD2 LEU G 58 6.398 108.879 137.846 1.00 26.31 C +ATOM 12367 N SER G 59 5.473 113.658 139.090 1.00 27.97 N +ATOM 12368 CA SER G 59 4.707 114.067 140.239 1.00 31.31 C +ATOM 12369 C SER G 59 3.823 115.242 139.886 1.00 32.13 C +ATOM 12370 O SER G 59 2.652 115.288 140.278 1.00 34.29 O +ATOM 12371 CB SER G 59 5.645 114.446 141.386 1.00 32.02 C +ATOM 12372 OG SER G 59 6.514 115.493 140.968 1.00 40.07 O +ATOM 12373 N ARG G 60 4.367 116.168 139.109 1.00 31.89 N +ATOM 12374 CA ARG G 60 3.695 117.437 138.905 1.00 32.26 C +ATOM 12375 C ARG G 60 2.719 117.457 137.724 1.00 31.84 C +ATOM 12376 O ARG G 60 1.695 118.152 137.786 1.00 33.27 O +ATOM 12377 CB ARG G 60 4.725 118.573 138.874 1.00 32.04 C +ATOM 12378 CG ARG G 60 4.826 119.344 137.641 1.00 36.17 C +ATOM 12379 CD ARG G 60 5.836 120.461 137.832 1.00 37.63 C +ATOM 12380 NE ARG G 60 6.594 120.697 136.618 1.00 33.93 N +ATOM 12381 CZ ARG G 60 7.591 121.566 136.518 1.00 35.82 C +ATOM 12382 NH1 ARG G 60 7.944 122.317 137.556 1.00 37.37 N +ATOM 12383 NH2 ARG G 60 8.233 121.695 135.363 1.00 36.96 N +ATOM 12384 N SER G 61 2.997 116.676 136.688 1.00 30.72 N +ATOM 12385 CA ASER G 61 2.157 116.659 135.500 0.50 29.34 C +ATOM 12386 CA BSER G 61 2.186 116.653 135.476 0.50 29.65 C +ATOM 12387 C SER G 61 1.693 115.267 135.092 1.00 29.14 C +ATOM 12388 O SER G 61 0.901 115.147 134.177 1.00 29.16 O +ATOM 12389 CB ASER G 61 2.890 117.309 134.326 0.50 29.64 C +ATOM 12390 CB BSER G 61 2.993 117.195 134.300 0.50 30.22 C +ATOM 12391 OG ASER G 61 3.324 118.615 134.659 0.50 27.79 O +ATOM 12392 OG BSER G 61 3.991 116.260 133.905 0.50 30.09 O +ATOM 12393 N GLY G 62 2.171 114.220 135.763 1.00 28.31 N +ATOM 12394 CA GLY G 62 1.847 112.843 135.352 1.00 28.38 C +ATOM 12395 C GLY G 62 2.596 112.316 134.113 1.00 28.27 C +ATOM 12396 O GLY G 62 2.360 111.188 133.672 1.00 29.82 O +ATOM 12397 N VAL G 63 3.501 113.117 133.563 1.00 27.47 N +ATOM 12398 CA VAL G 63 4.285 112.732 132.391 1.00 25.88 C +ATOM 12399 C VAL G 63 5.361 111.772 132.862 1.00 25.11 C +ATOM 12400 O VAL G 63 6.133 112.100 133.776 1.00 24.90 O +ATOM 12401 CB VAL G 63 4.908 113.982 131.714 1.00 26.17 C +ATOM 12402 CG1 VAL G 63 5.901 113.601 130.598 1.00 24.31 C +ATOM 12403 CG2 VAL G 63 3.801 114.880 131.175 1.00 23.43 C +ATOM 12404 N ARG G 64 5.400 110.571 132.286 1.00 24.42 N +ATOM 12405 CA ARG G 64 6.370 109.562 132.713 1.00 23.67 C +ATOM 12406 C ARG G 64 7.453 109.371 131.658 1.00 23.02 C +ATOM 12407 O ARG G 64 7.174 109.071 130.479 1.00 22.68 O +ATOM 12408 CB ARG G 64 5.680 108.250 133.033 1.00 23.90 C +ATOM 12409 CG ARG G 64 6.612 107.202 133.627 1.00 25.32 C +ATOM 12410 CD ARG G 64 5.900 105.873 133.771 1.00 27.05 C +ATOM 12411 NE ARG G 64 4.869 105.934 134.809 1.00 25.16 N +ATOM 12412 CZ ARG G 64 3.557 106.061 134.599 1.00 29.52 C +ATOM 12413 NH1 ARG G 64 3.042 106.112 133.382 1.00 30.65 N +ATOM 12414 NH2 ARG G 64 2.735 106.095 135.631 1.00 31.38 N +ATOM 12415 N CYS G 65 8.695 109.584 132.090 1.00 22.80 N +ATOM 12416 CA CYS G 65 9.891 109.517 131.230 1.00 23.32 C +ATOM 12417 C CYS G 65 10.794 108.425 131.750 1.00 22.88 C +ATOM 12418 O CYS G 65 10.846 108.220 132.950 1.00 23.68 O +ATOM 12419 CB CYS G 65 10.639 110.853 131.262 1.00 24.65 C +ATOM 12420 SG CYS G 65 9.578 112.223 130.731 1.00 27.99 S +HETATM12421 N MSE G 66 11.451 107.691 130.849 1.00 20.81 N +HETATM12422 CA MSE G 66 12.484 106.717 131.242 1.00 19.14 C +HETATM12423 C MSE G 66 13.862 107.267 130.984 1.00 19.03 C +HETATM12424 O MSE G 66 14.149 107.680 129.849 1.00 19.03 O +HETATM12425 CB MSE G 66 12.363 105.412 130.453 1.00 20.34 C +HETATM12426 CG MSE G 66 13.385 104.359 130.858 1.00 17.24 C +HETATM12427 SE MSE G 66 13.344 103.934 132.754 0.75 21.86 SE +HETATM12428 CE MSE G 66 11.817 102.652 132.895 1.00 19.85 C +ATOM 12429 N VAL G 67 14.731 107.209 131.998 1.00 19.03 N +ATOM 12430 CA VAL G 67 16.140 107.538 131.859 1.00 17.86 C +ATOM 12431 C VAL G 67 16.962 106.265 131.638 1.00 19.04 C +ATOM 12432 O VAL G 67 17.123 105.436 132.544 1.00 18.83 O +ATOM 12433 CB VAL G 67 16.700 108.241 133.109 1.00 19.26 C +ATOM 12434 CG1 VAL G 67 18.164 108.677 132.859 1.00 16.65 C +ATOM 12435 CG2 VAL G 67 15.821 109.406 133.494 1.00 16.83 C +HETATM12436 N MSE G 68 17.520 106.167 130.437 1.00 18.15 N +HETATM12437 CA MSE G 68 18.287 105.016 130.014 1.00 18.55 C +HETATM12438 C MSE G 68 19.641 105.033 130.730 1.00 19.19 C +HETATM12439 O MSE G 68 20.026 106.054 131.299 1.00 18.94 O +HETATM12440 CB MSE G 68 18.496 105.065 128.494 1.00 17.13 C +HETATM12441 CG MSE G 68 17.213 105.121 127.665 1.00 20.34 C +HETATM12442 SE MSE G 68 16.207 103.444 127.810 0.75 19.75 SE +HETATM12443 CE MSE G 68 17.719 102.174 127.053 1.00 22.24 C +ATOM 12444 N PRO G 69 20.372 103.894 130.692 1.00 19.92 N +ATOM 12445 CA PRO G 69 21.685 103.905 131.308 1.00 21.50 C +ATOM 12446 C PRO G 69 22.600 104.854 130.525 1.00 22.04 C +ATOM 12447 O PRO G 69 22.437 104.967 129.303 1.00 20.54 O +ATOM 12448 CB PRO G 69 22.158 102.452 131.163 1.00 21.33 C +ATOM 12449 CG PRO G 69 20.931 101.678 130.832 1.00 22.05 C +ATOM 12450 CD PRO G 69 20.066 102.581 130.098 1.00 20.77 C +ATOM 12451 N PRO G 70 23.530 105.540 131.223 1.00 22.47 N +ATOM 12452 CA PRO G 70 24.432 106.502 130.605 1.00 21.92 C +ATOM 12453 C PRO G 70 25.419 105.872 129.634 1.00 21.61 C +ATOM 12454 O PRO G 70 25.922 104.794 129.905 1.00 22.93 O +ATOM 12455 CB PRO G 70 25.209 107.062 131.788 1.00 21.78 C +ATOM 12456 CG PRO G 70 24.433 106.726 132.962 1.00 24.06 C +ATOM 12457 CD PRO G 70 23.784 105.441 132.669 1.00 22.40 C +ATOM 12458 N VAL G 71 25.673 106.544 128.515 1.00 20.70 N +ATOM 12459 CA VAL G 71 26.635 106.091 127.538 1.00 18.30 C +ATOM 12460 C VAL G 71 27.976 106.677 127.925 1.00 17.20 C +ATOM 12461 O VAL G 71 28.114 107.894 127.930 1.00 17.81 O +ATOM 12462 CB VAL G 71 26.247 106.548 126.108 1.00 17.90 C +ATOM 12463 CG1 VAL G 71 27.203 105.948 125.069 1.00 15.58 C +ATOM 12464 CG2 VAL G 71 24.802 106.197 125.811 1.00 16.20 C +ATOM 12465 N PRO G 72 28.960 105.819 128.274 1.00 17.41 N +ATOM 12466 CA PRO G 72 30.264 106.236 128.735 1.00 17.84 C +ATOM 12467 C PRO G 72 31.297 106.554 127.646 1.00 18.27 C +ATOM 12468 O PRO G 72 32.498 106.596 127.932 1.00 21.95 O +ATOM 12469 CB PRO G 72 30.698 105.021 129.578 1.00 19.80 C +ATOM 12470 CG PRO G 72 30.223 103.926 128.854 1.00 18.33 C +ATOM 12471 CD PRO G 72 28.865 104.343 128.302 1.00 18.49 C +ATOM 12472 N PHE G 73 30.858 106.832 126.429 1.00 17.84 N +ATOM 12473 CA PHE G 73 31.784 106.943 125.302 1.00 17.24 C +ATOM 12474 C PHE G 73 31.750 108.331 124.743 1.00 17.58 C +ATOM 12475 O PHE G 73 30.849 108.661 123.978 1.00 17.69 O +ATOM 12476 CB PHE G 73 31.435 105.925 124.215 1.00 19.25 C +ATOM 12477 CG PHE G 73 31.554 104.500 124.670 1.00 19.61 C +ATOM 12478 CD1 PHE G 73 32.804 103.941 124.905 1.00 24.52 C +ATOM 12479 CD2 PHE G 73 30.412 103.716 124.886 1.00 22.29 C +ATOM 12480 CE1 PHE G 73 32.914 102.632 125.343 1.00 21.45 C +ATOM 12481 CE2 PHE G 73 30.517 102.391 125.301 1.00 18.25 C +ATOM 12482 CZ PHE G 73 31.758 101.857 125.549 1.00 18.28 C +ATOM 12483 N GLY G 74 32.754 109.128 125.117 1.00 17.73 N +ATOM 12484 CA GLY G 74 32.857 110.501 124.670 1.00 17.69 C +ATOM 12485 C GLY G 74 33.977 110.757 123.697 1.00 17.07 C +ATOM 12486 O GLY G 74 34.823 109.902 123.464 1.00 16.95 O +ATOM 12487 N ALA G 75 33.938 111.943 123.099 1.00 16.90 N +ATOM 12488 CA ALA G 75 34.902 112.399 122.139 1.00 16.31 C +ATOM 12489 C ALA G 75 35.872 113.308 122.866 1.00 18.35 C +ATOM 12490 O ALA G 75 35.477 114.304 123.505 1.00 19.76 O +ATOM 12491 CB ALA G 75 34.232 113.155 121.081 1.00 15.48 C +ATOM 12492 N HIS G 76 37.154 112.985 122.748 1.00 19.51 N +ATOM 12493 CA HIS G 76 38.194 113.650 123.542 1.00 19.78 C +ATOM 12494 C HIS G 76 39.227 114.392 122.695 1.00 20.53 C +ATOM 12495 O HIS G 76 39.177 114.334 121.485 1.00 20.20 O +ATOM 12496 CB HIS G 76 38.789 112.637 124.514 1.00 21.48 C +ATOM 12497 CG HIS G 76 37.790 112.193 125.537 1.00 20.93 C +ATOM 12498 ND1 HIS G 76 37.274 113.059 126.477 1.00 20.63 N +ATOM 12499 CD2 HIS G 76 37.118 111.030 125.686 1.00 18.69 C +ATOM 12500 CE1 HIS G 76 36.363 112.425 127.192 1.00 24.98 C +ATOM 12501 NE2 HIS G 76 36.251 111.196 126.733 1.00 19.36 N +ATOM 12502 N ASN G 77 40.086 115.160 123.346 1.00 20.48 N +ATOM 12503 CA ASN G 77 41.028 116.051 122.667 1.00 21.06 C +ATOM 12504 C ASN G 77 42.425 115.471 122.594 1.00 21.85 C +ATOM 12505 O ASN G 77 42.726 114.479 123.250 1.00 21.99 O +ATOM 12506 CB ASN G 77 41.110 117.397 123.399 1.00 22.53 C +ATOM 12507 CG ASN G 77 39.878 118.221 123.266 1.00 23.17 C +ATOM 12508 OD1 ASN G 77 38.779 117.695 123.147 1.00 27.36 O +ATOM 12509 ND2 ASN G 77 40.044 119.545 123.317 1.00 22.61 N +ATOM 12510 N PRO G 78 43.308 116.100 121.786 1.00 23.30 N +ATOM 12511 CA PRO G 78 44.690 115.643 121.818 1.00 23.28 C +ATOM 12512 C PRO G 78 45.268 115.805 123.218 1.00 23.18 C +ATOM 12513 O PRO G 78 44.907 116.761 123.928 1.00 23.04 O +ATOM 12514 CB PRO G 78 45.406 116.557 120.805 1.00 24.51 C +ATOM 12515 CG PRO G 78 44.294 117.134 119.959 1.00 24.63 C +ATOM 12516 CD PRO G 78 43.095 117.191 120.813 1.00 23.29 C +ATOM 12517 N GLY G 79 46.131 114.866 123.608 1.00 22.40 N +ATOM 12518 CA GLY G 79 46.674 114.824 124.967 1.00 23.60 C +ATOM 12519 C GLY G 79 45.856 114.115 126.016 1.00 23.79 C +ATOM 12520 O GLY G 79 46.379 113.774 127.069 1.00 26.21 O +ATOM 12521 N GLN G 80 44.567 113.914 125.763 1.00 23.54 N +ATOM 12522 CA GLN G 80 43.700 113.214 126.699 1.00 23.57 C +ATOM 12523 C GLN G 80 43.787 111.702 126.590 1.00 24.18 C +ATOM 12524 O GLN G 80 43.768 111.001 127.606 1.00 24.67 O +ATOM 12525 CB GLN G 80 42.258 113.642 126.500 1.00 22.31 C +ATOM 12526 CG GLN G 80 41.966 115.015 127.030 1.00 22.68 C +ATOM 12527 CD GLN G 80 40.472 115.254 127.164 1.00 27.67 C +ATOM 12528 OE1 GLN G 80 39.768 115.483 126.161 1.00 26.93 O +ATOM 12529 NE2 GLN G 80 39.971 115.175 128.398 1.00 18.95 N +ATOM 12530 N ARG G 81 43.877 111.202 125.369 1.00 24.35 N +ATOM 12531 CA ARG G 81 43.888 109.759 125.100 1.00 26.43 C +ATOM 12532 C ARG G 81 45.069 109.014 125.743 1.00 26.32 C +ATOM 12533 O ARG G 81 44.974 107.815 126.016 1.00 27.31 O +ATOM 12534 CB ARG G 81 43.878 109.506 123.585 1.00 28.08 C +ATOM 12535 CG ARG G 81 43.569 108.072 123.190 1.00 28.89 C +ATOM 12536 CD ARG G 81 43.553 107.858 121.701 1.00 31.05 C +ATOM 12537 NE ARG G 81 44.731 108.420 121.029 1.00 36.97 N +ATOM 12538 CZ ARG G 81 45.091 108.111 119.783 1.00 37.24 C +ATOM 12539 NH1 ARG G 81 44.405 107.211 119.092 1.00 31.89 N +ATOM 12540 NH2 ARG G 81 46.178 108.659 119.248 1.00 38.40 N +ATOM 12541 N GLU G 82 46.174 109.718 125.975 1.00 26.69 N +ATOM 12542 CA GLU G 82 47.339 109.125 126.611 1.00 29.83 C +ATOM 12543 C GLU G 82 47.201 109.103 128.156 1.00 26.72 C +ATOM 12544 O GLU G 82 47.986 108.511 128.827 1.00 26.27 O +ATOM 12545 CB GLU G 82 48.602 109.889 126.183 1.00 32.08 C +ATOM 12546 CG GLU G 82 48.809 111.233 126.921 1.00 38.14 C +ATOM 12547 CD GLU G 82 49.636 112.260 126.128 1.00 40.18 C +ATOM 12548 OE1 GLU G 82 49.273 112.528 124.959 1.00 54.40 O +ATOM 12549 OE2 GLU G 82 50.616 112.825 126.688 1.00 49.81 O +ATOM 12550 N LEU G 83 46.222 109.785 128.715 1.00 24.95 N +ATOM 12551 CA LEU G 83 45.995 109.693 130.143 1.00 24.45 C +ATOM 12552 C LEU G 83 45.384 108.323 130.425 1.00 23.46 C +ATOM 12553 O LEU G 83 44.519 107.846 129.659 1.00 21.72 O +ATOM 12554 CB LEU G 83 45.069 110.799 130.618 1.00 24.73 C +ATOM 12555 CG LEU G 83 45.570 112.234 130.474 1.00 29.51 C +ATOM 12556 CD1 LEU G 83 44.382 113.232 130.662 1.00 22.33 C +ATOM 12557 CD2 LEU G 83 46.750 112.519 131.442 1.00 28.17 C +ATOM 12558 N PRO G 84 45.835 107.665 131.494 1.00 23.11 N +ATOM 12559 CA PRO G 84 45.326 106.321 131.739 1.00 22.71 C +ATOM 12560 C PRO G 84 43.823 106.226 131.873 1.00 21.52 C +ATOM 12561 O PRO G 84 43.233 106.967 132.647 1.00 21.70 O +ATOM 12562 CB PRO G 84 46.009 105.889 133.054 1.00 23.37 C +ATOM 12563 CG PRO G 84 46.561 107.148 133.664 1.00 26.19 C +ATOM 12564 CD PRO G 84 46.835 108.077 132.495 1.00 24.89 C +ATOM 12565 N PHE G 85 43.239 105.274 131.134 1.00 21.63 N +ATOM 12566 CA PHE G 85 41.803 104.914 131.163 1.00 20.64 C +ATOM 12567 C PHE G 85 40.863 105.937 130.532 1.00 20.60 C +ATOM 12568 O PHE G 85 39.640 105.788 130.598 1.00 22.69 O +ATOM 12569 CB PHE G 85 41.365 104.508 132.586 1.00 20.17 C +ATOM 12570 CG PHE G 85 42.350 103.624 133.255 1.00 22.20 C +ATOM 12571 CD1 PHE G 85 42.786 102.463 132.624 1.00 22.44 C +ATOM 12572 CD2 PHE G 85 42.889 103.950 134.487 1.00 22.84 C +ATOM 12573 CE1 PHE G 85 43.719 101.658 133.205 1.00 22.78 C +ATOM 12574 CE2 PHE G 85 43.818 103.129 135.072 1.00 22.89 C +ATOM 12575 CZ PHE G 85 44.231 101.985 134.440 1.00 23.73 C +ATOM 12576 N CYS G 86 41.412 106.953 129.886 1.00 21.03 N +ATOM 12577 CA CYS G 86 40.623 107.811 129.041 1.00 20.94 C +ATOM 12578 C CYS G 86 40.298 107.094 127.717 1.00 21.30 C +ATOM 12579 O CYS G 86 41.197 106.654 126.989 1.00 22.77 O +ATOM 12580 CB CYS G 86 41.371 109.101 128.770 1.00 21.03 C +ATOM 12581 SG CYS G 86 40.341 110.269 127.882 1.00 24.45 S +ATOM 12582 N ILE G 87 39.018 106.959 127.411 1.00 19.23 N +ATOM 12583 CA ILE G 87 38.587 106.287 126.186 1.00 19.55 C +ATOM 12584 C ILE G 87 38.049 107.264 125.147 1.00 18.77 C +ATOM 12585 O ILE G 87 36.896 107.719 125.284 1.00 19.27 O +ATOM 12586 CB ILE G 87 37.469 105.228 126.489 1.00 19.92 C +ATOM 12587 CG1 ILE G 87 37.966 104.186 127.503 1.00 22.18 C +ATOM 12588 CG2 ILE G 87 37.050 104.514 125.199 1.00 16.63 C +ATOM 12589 CD1 ILE G 87 39.376 103.495 127.145 1.00 13.65 C +ATOM 12590 N HIS G 88 38.840 107.575 124.115 1.00 18.28 N +ATOM 12591 CA HIS G 88 38.359 108.395 122.999 1.00 18.35 C +ATOM 12592 C HIS G 88 37.480 107.568 122.065 1.00 17.08 C +ATOM 12593 O HIS G 88 37.874 106.507 121.661 1.00 17.74 O +ATOM 12594 CB HIS G 88 39.523 109.007 122.186 1.00 21.38 C +ATOM 12595 CG HIS G 88 39.073 109.685 120.919 1.00 22.34 C +ATOM 12596 ND1 HIS G 88 38.277 110.810 120.918 1.00 22.99 N +ATOM 12597 CD2 HIS G 88 39.238 109.343 119.614 1.00 21.83 C +ATOM 12598 CE1 HIS G 88 38.007 111.158 119.670 1.00 23.78 C +ATOM 12599 NE2 HIS G 88 38.578 110.283 118.860 1.00 19.53 N +ATOM 12600 N THR G 89 36.305 108.088 121.741 1.00 17.43 N +ATOM 12601 CA THR G 89 35.320 107.456 120.872 1.00 17.35 C +ATOM 12602 C THR G 89 35.228 108.290 119.593 1.00 16.75 C +ATOM 12603 O THR G 89 35.037 109.505 119.642 1.00 16.55 O +ATOM 12604 CB THR G 89 33.900 107.393 121.537 1.00 17.18 C +ATOM 12605 OG1 THR G 89 34.011 107.022 122.923 1.00 19.63 O +ATOM 12606 CG2 THR G 89 32.995 106.392 120.841 1.00 17.75 C +ATOM 12607 N ARG G 90 35.387 107.623 118.445 1.00 14.79 N +ATOM 12608 CA ARG G 90 35.202 108.280 117.167 1.00 15.94 C +ATOM 12609 C ARG G 90 33.739 108.678 116.979 1.00 16.83 C +ATOM 12610 O ARG G 90 32.832 108.012 117.502 1.00 16.46 O +ATOM 12611 CB ARG G 90 35.671 107.381 116.015 1.00 16.74 C +ATOM 12612 CG ARG G 90 37.160 107.159 115.953 1.00 16.94 C +ATOM 12613 CD ARG G 90 37.521 106.074 114.943 1.00 21.44 C +ATOM 12614 NE ARG G 90 37.122 104.752 115.436 1.00 20.91 N +ATOM 12615 CZ ARG G 90 37.126 103.626 114.736 1.00 25.27 C +ATOM 12616 NH1 ARG G 90 37.516 103.618 113.477 1.00 28.42 N +ATOM 12617 NH2 ARG G 90 36.733 102.496 115.308 1.00 22.95 N +ATOM 12618 N TYR G 91 33.515 109.761 116.233 1.00 17.52 N +ATOM 12619 CA TYR G 91 32.184 110.220 115.840 1.00 17.28 C +ATOM 12620 C TYR G 91 31.346 109.108 115.208 1.00 15.67 C +ATOM 12621 O TYR G 91 30.175 108.998 115.514 1.00 17.61 O +ATOM 12622 CB TYR G 91 32.240 111.453 114.864 1.00 16.23 C +ATOM 12623 CG TYR G 91 30.914 112.215 114.737 1.00 21.80 C +ATOM 12624 CD1 TYR G 91 29.856 111.745 113.931 1.00 19.47 C +ATOM 12625 CD2 TYR G 91 30.700 113.391 115.448 1.00 24.24 C +ATOM 12626 CE1 TYR G 91 28.607 112.453 113.864 1.00 20.49 C +ATOM 12627 CE2 TYR G 91 29.475 114.107 115.357 1.00 21.92 C +ATOM 12628 CZ TYR G 91 28.444 113.638 114.565 1.00 23.93 C +ATOM 12629 OH TYR G 91 27.245 114.371 114.525 1.00 26.29 O +ATOM 12630 N ALA G 92 31.920 108.317 114.301 1.00 16.40 N +ATOM 12631 CA ALA G 92 31.194 107.245 113.633 1.00 15.57 C +ATOM 12632 C ALA G 92 30.770 106.144 114.612 1.00 15.70 C +ATOM 12633 O ALA G 92 29.698 105.533 114.423 1.00 15.72 O +ATOM 12634 CB ALA G 92 32.010 106.656 112.440 1.00 14.83 C +ATOM 12635 N THR G 93 31.587 105.910 115.661 1.00 15.59 N +ATOM 12636 CA THR G 93 31.263 104.970 116.745 1.00 14.42 C +ATOM 12637 C THR G 93 30.060 105.442 117.549 1.00 15.89 C +ATOM 12638 O THR G 93 29.099 104.692 117.762 1.00 15.70 O +ATOM 12639 CB THR G 93 32.484 104.709 117.676 1.00 14.74 C +ATOM 12640 OG1 THR G 93 33.564 104.198 116.888 1.00 15.88 O +ATOM 12641 CG2 THR G 93 32.154 103.689 118.799 1.00 13.87 C +ATOM 12642 N GLN G 94 30.101 106.704 117.946 1.00 16.74 N +ATOM 12643 CA GLN G 94 29.004 107.327 118.637 1.00 15.67 C +ATOM 12644 C GLN G 94 27.735 107.297 117.784 1.00 15.80 C +ATOM 12645 O GLN G 94 26.621 107.034 118.273 1.00 15.59 O +ATOM 12646 CB GLN G 94 29.375 108.774 118.978 1.00 16.42 C +ATOM 12647 CG GLN G 94 30.460 108.929 120.038 1.00 15.95 C +ATOM 12648 CD GLN G 94 30.699 110.385 120.425 1.00 16.60 C +ATOM 12649 OE1 GLN G 94 30.709 111.245 119.556 1.00 21.41 O +ATOM 12650 NE2 GLN G 94 30.876 110.667 121.731 1.00 16.26 N +ATOM 12651 N GLN G 95 27.884 107.580 116.503 1.00 16.95 N +ATOM 12652 CA GLN G 95 26.746 107.522 115.576 1.00 16.65 C +ATOM 12653 C GLN G 95 26.148 106.120 115.457 1.00 15.42 C +ATOM 12654 O GLN G 95 24.944 105.958 115.418 1.00 16.42 O +ATOM 12655 CB GLN G 95 27.185 108.080 114.214 1.00 17.77 C +ATOM 12656 CG GLN G 95 26.123 108.025 113.150 1.00 21.83 C +ATOM 12657 CD GLN G 95 26.240 109.145 112.124 1.00 30.87 C +ATOM 12658 OE1 GLN G 95 27.334 109.586 111.765 1.00 36.15 O +ATOM 12659 NE2 GLN G 95 25.103 109.633 111.677 1.00 40.80 N +ATOM 12660 N ALA G 96 27.014 105.113 115.369 1.00 15.82 N +ATOM 12661 CA ALA G 96 26.589 103.715 115.377 1.00 15.40 C +ATOM 12662 C ALA G 96 25.757 103.376 116.620 1.00 16.56 C +ATOM 12663 O ALA G 96 24.694 102.709 116.537 1.00 14.18 O +ATOM 12664 CB ALA G 96 27.810 102.803 115.298 1.00 14.18 C +ATOM 12665 N ILE G 97 26.263 103.808 117.782 1.00 15.93 N +ATOM 12666 CA ILE G 97 25.554 103.607 119.032 1.00 14.83 C +ATOM 12667 C ILE G 97 24.191 104.304 118.988 1.00 15.68 C +ATOM 12668 O ILE G 97 23.221 103.692 119.345 1.00 15.70 O +ATOM 12669 CB ILE G 97 26.369 104.086 120.282 1.00 14.71 C +ATOM 12670 CG1 ILE G 97 27.626 103.229 120.496 1.00 16.12 C +ATOM 12671 CG2 ILE G 97 25.517 104.034 121.546 1.00 16.45 C +ATOM 12672 CD1 ILE G 97 28.711 103.905 121.330 1.00 14.45 C +ATOM 12673 N LEU G 98 24.135 105.590 118.593 1.00 16.33 N +ATOM 12674 CA LEU G 98 22.862 106.327 118.544 1.00 16.68 C +ATOM 12675 C LEU G 98 21.882 105.659 117.596 1.00 17.13 C +ATOM 12676 O LEU G 98 20.739 105.472 117.933 1.00 18.81 O +ATOM 12677 CB LEU G 98 23.064 107.798 118.171 1.00 16.61 C +ATOM 12678 CG LEU G 98 21.825 108.706 118.402 1.00 18.84 C +ATOM 12679 CD1 LEU G 98 21.236 108.478 119.818 1.00 15.42 C +ATOM 12680 CD2 LEU G 98 22.122 110.167 118.203 1.00 14.46 C +ATOM 12681 N GLU G 99 22.334 105.280 116.408 1.00 17.91 N +ATOM 12682 CA GLU G 99 21.522 104.529 115.449 1.00 18.18 C +ATOM 12683 C GLU G 99 20.922 103.260 116.037 1.00 17.72 C +ATOM 12684 O GLU G 99 19.745 102.962 115.839 1.00 17.24 O +ATOM 12685 CB GLU G 99 22.369 104.159 114.231 1.00 18.52 C +ATOM 12686 CG GLU G 99 22.665 105.303 113.263 1.00 19.58 C +ATOM 12687 CD GLU G 99 23.745 104.953 112.213 1.00 23.72 C +ATOM 12688 OE1 GLU G 99 24.344 103.861 112.256 1.00 24.57 O +ATOM 12689 OE2 GLU G 99 24.014 105.794 111.349 1.00 26.24 O +ATOM 12690 N ASP G 100 21.736 102.490 116.748 1.00 16.33 N +ATOM 12691 CA ASP G 100 21.245 101.261 117.369 1.00 17.18 C +ATOM 12692 C ASP G 100 20.188 101.527 118.500 1.00 17.75 C +ATOM 12693 O ASP G 100 19.208 100.794 118.638 1.00 18.38 O +ATOM 12694 CB ASP G 100 22.438 100.438 117.904 1.00 19.41 C +ATOM 12695 CG ASP G 100 23.203 99.707 116.798 1.00 22.12 C +ATOM 12696 OD1 ASP G 100 22.744 99.739 115.621 1.00 23.95 O +ATOM 12697 OD2 ASP G 100 24.263 99.095 117.115 1.00 23.70 O +ATOM 12698 N ILE G 101 20.396 102.575 119.301 1.00 17.82 N +ATOM 12699 CA ILE G 101 19.428 102.955 120.334 1.00 15.91 C +ATOM 12700 C ILE G 101 18.113 103.357 119.683 1.00 16.77 C +ATOM 12701 O ILE G 101 17.069 102.842 120.041 1.00 17.94 O +ATOM 12702 CB ILE G 101 19.977 104.099 121.253 1.00 16.84 C +ATOM 12703 CG1 ILE G 101 21.127 103.587 122.110 1.00 15.61 C +ATOM 12704 CG2 ILE G 101 18.863 104.739 122.165 1.00 14.85 C +ATOM 12705 CD1 ILE G 101 21.992 104.713 122.739 1.00 14.13 C +ATOM 12706 N VAL G 102 18.178 104.269 118.707 1.00 17.52 N +ATOM 12707 CA VAL G 102 16.970 104.771 118.009 1.00 17.48 C +ATOM 12708 C VAL G 102 16.219 103.649 117.299 1.00 18.14 C +ATOM 12709 O VAL G 102 15.013 103.516 117.416 1.00 19.33 O +ATOM 12710 CB VAL G 102 17.312 105.979 117.086 1.00 18.35 C +ATOM 12711 CG1 VAL G 102 16.151 106.370 116.191 1.00 17.66 C +ATOM 12712 CG2 VAL G 102 17.727 107.170 117.955 1.00 15.02 C +ATOM 12713 N SER G 103 16.940 102.792 116.609 1.00 17.45 N +ATOM 12714 CA SER G 103 16.314 101.716 115.907 1.00 18.93 C +ATOM 12715 C SER G 103 15.490 100.884 116.889 1.00 18.83 C +ATOM 12716 O SER G 103 14.340 100.573 116.636 1.00 19.48 O +ATOM 12717 CB SER G 103 17.370 100.860 115.204 1.00 20.02 C +ATOM 12718 OG SER G 103 16.763 99.784 114.478 1.00 28.38 O +ATOM 12719 N SER G 104 16.091 100.517 118.018 1.00 18.51 N +ATOM 12720 CA SER G 104 15.399 99.717 118.997 1.00 17.90 C +ATOM 12721 C SER G 104 14.179 100.404 119.601 1.00 17.37 C +ATOM 12722 O SER G 104 13.121 99.797 119.662 1.00 17.55 O +ATOM 12723 CB SER G 104 16.367 99.315 120.116 1.00 17.45 C +ATOM 12724 OG SER G 104 17.076 98.171 119.722 1.00 21.66 O +ATOM 12725 N LEU G 105 14.363 101.641 120.077 1.00 17.64 N +ATOM 12726 CA LEU G 105 13.302 102.426 120.726 1.00 17.58 C +ATOM 12727 C LEU G 105 12.098 102.663 119.802 1.00 18.55 C +ATOM 12728 O LEU G 105 10.949 102.624 120.230 1.00 18.38 O +ATOM 12729 CB LEU G 105 13.854 103.777 121.199 1.00 16.24 C +ATOM 12730 CG LEU G 105 14.827 103.825 122.366 1.00 18.81 C +ATOM 12731 CD1 LEU G 105 15.296 105.257 122.569 1.00 13.89 C +ATOM 12732 CD2 LEU G 105 14.175 103.229 123.640 1.00 20.90 C +ATOM 12733 N HIS G 106 12.397 102.909 118.530 1.00 19.93 N +ATOM 12734 CA HIS G 106 11.392 103.074 117.471 1.00 21.51 C +ATOM 12735 C HIS G 106 10.545 101.838 117.242 1.00 21.22 C +ATOM 12736 O HIS G 106 9.299 101.918 117.197 1.00 22.71 O +ATOM 12737 CB HIS G 106 12.044 103.512 116.152 1.00 22.78 C +ATOM 12738 CG HIS G 106 11.046 103.919 115.114 1.00 23.16 C +ATOM 12739 ND1 HIS G 106 10.442 103.013 114.267 1.00 25.44 N +ATOM 12740 CD2 HIS G 106 10.512 105.126 114.816 1.00 25.91 C +ATOM 12741 CE1 HIS G 106 9.586 103.643 113.487 1.00 24.43 C +ATOM 12742 NE2 HIS G 106 9.624 104.928 113.784 1.00 26.52 N +ATOM 12743 N VAL G 107 11.186 100.683 117.137 1.00 21.98 N +ATOM 12744 CA VAL G 107 10.430 99.432 117.072 1.00 23.51 C +ATOM 12745 C VAL G 107 9.559 99.260 118.314 1.00 22.58 C +ATOM 12746 O VAL G 107 8.472 98.685 118.257 1.00 22.83 O +ATOM 12747 CB VAL G 107 11.336 98.166 116.949 1.00 25.26 C +ATOM 12748 CG1 VAL G 107 10.536 96.967 117.263 1.00 22.59 C +ATOM 12749 CG2 VAL G 107 11.914 98.038 115.556 1.00 21.78 C +ATOM 12750 N GLN G 108 10.036 99.723 119.456 1.00 21.94 N +ATOM 12751 CA GLN G 108 9.248 99.575 120.690 1.00 21.62 C +ATOM 12752 C GLN G 108 8.046 100.496 120.750 1.00 23.20 C +ATOM 12753 O GLN G 108 7.265 100.402 121.697 1.00 23.93 O +ATOM 12754 CB GLN G 108 10.124 99.832 121.916 1.00 22.13 C +ATOM 12755 CG GLN G 108 11.094 98.709 122.189 1.00 21.08 C +ATOM 12756 CD GLN G 108 12.332 99.182 122.860 1.00 18.62 C +ATOM 12757 OE1 GLN G 108 12.301 100.139 123.620 1.00 24.18 O +ATOM 12758 NE2 GLN G 108 13.430 98.510 122.609 1.00 17.07 N +ATOM 12759 N GLY G 109 7.937 101.433 119.798 1.00 23.10 N +ATOM 12760 CA GLY G 109 6.807 102.357 119.740 1.00 21.96 C +ATOM 12761 C GLY G 109 7.105 103.756 120.237 1.00 22.30 C +ATOM 12762 O GLY G 109 6.211 104.593 120.196 1.00 22.15 O +ATOM 12763 N PHE G 110 8.351 104.047 120.667 1.00 21.16 N +ATOM 12764 CA PHE G 110 8.694 105.369 121.193 1.00 19.48 C +ATOM 12765 C PHE G 110 9.045 106.325 120.078 1.00 20.34 C +ATOM 12766 O PHE G 110 9.575 105.927 119.037 1.00 21.32 O +ATOM 12767 CB PHE G 110 9.854 105.304 122.217 1.00 22.05 C +ATOM 12768 CG PHE G 110 9.559 104.419 123.355 1.00 19.14 C +ATOM 12769 CD1 PHE G 110 8.460 104.678 124.166 1.00 23.90 C +ATOM 12770 CD2 PHE G 110 10.331 103.309 123.615 1.00 20.86 C +ATOM 12771 CE1 PHE G 110 8.155 103.834 125.218 1.00 24.47 C +ATOM 12772 CE2 PHE G 110 10.024 102.457 124.634 1.00 18.86 C +ATOM 12773 CZ PHE G 110 8.940 102.718 125.447 1.00 25.16 C +ATOM 12774 N ARG G 111 8.742 107.595 120.287 1.00 19.88 N +ATOM 12775 CA ARG G 111 8.896 108.606 119.234 1.00 21.37 C +ATOM 12776 C ARG G 111 9.504 109.905 119.721 1.00 20.59 C +ATOM 12777 O ARG G 111 9.528 110.890 118.976 1.00 20.73 O +ATOM 12778 CB ARG G 111 7.545 108.897 118.593 1.00 21.17 C +ATOM 12779 CG ARG G 111 6.883 107.710 117.917 1.00 19.20 C +ATOM 12780 CD ARG G 111 7.612 107.262 116.705 1.00 21.18 C +ATOM 12781 NE ARG G 111 6.921 106.202 115.962 1.00 25.87 N +ATOM 12782 CZ ARG G 111 7.118 104.894 116.131 1.00 24.40 C +ATOM 12783 NH1 ARG G 111 7.993 104.447 117.016 1.00 24.51 N +ATOM 12784 NH2 ARG G 111 6.419 104.026 115.426 1.00 21.17 N +ATOM 12785 N LYS G 112 10.023 109.912 120.950 1.00 19.94 N +ATOM 12786 CA LYS G 112 10.586 111.131 121.576 1.00 20.47 C +ATOM 12787 C LYS G 112 11.772 110.821 122.494 1.00 19.39 C +ATOM 12788 O LYS G 112 11.651 110.069 123.440 1.00 18.67 O +ATOM 12789 CB LYS G 112 9.509 111.861 122.364 1.00 21.24 C +ATOM 12790 CG LYS G 112 8.519 112.608 121.478 1.00 26.81 C +ATOM 12791 CD LYS G 112 7.207 112.789 122.185 1.00 33.45 C +ATOM 12792 CE LYS G 112 6.210 113.491 121.314 1.00 39.85 C +ATOM 12793 NZ LYS G 112 4.855 113.385 121.929 1.00 43.13 N +ATOM 12794 N LEU G 113 12.906 111.434 122.187 1.00 19.11 N +ATOM 12795 CA LEU G 113 14.176 111.176 122.847 1.00 18.24 C +ATOM 12796 C LEU G 113 14.908 112.496 123.136 1.00 18.22 C +ATOM 12797 O LEU G 113 15.009 113.385 122.269 1.00 19.08 O +ATOM 12798 CB LEU G 113 15.028 110.275 121.950 1.00 19.22 C +ATOM 12799 CG LEU G 113 16.441 109.954 122.397 1.00 14.56 C +ATOM 12800 CD1 LEU G 113 16.329 109.112 123.641 1.00 11.20 C +ATOM 12801 CD2 LEU G 113 17.219 109.246 121.252 1.00 16.51 C +ATOM 12802 N LEU G 114 15.389 112.633 124.369 1.00 17.70 N +ATOM 12803 CA LEU G 114 16.316 113.692 124.719 1.00 17.84 C +ATOM 12804 C LEU G 114 17.668 113.078 125.096 1.00 17.64 C +ATOM 12805 O LEU G 114 17.757 112.240 125.987 1.00 18.68 O +ATOM 12806 CB LEU G 114 15.782 114.537 125.888 1.00 18.39 C +ATOM 12807 CG LEU G 114 16.807 115.590 126.324 1.00 22.33 C +ATOM 12808 CD1 LEU G 114 16.813 116.807 125.374 1.00 21.48 C +ATOM 12809 CD2 LEU G 114 16.605 116.008 127.760 1.00 19.43 C +ATOM 12810 N ILE G 115 18.706 113.522 124.409 1.00 17.70 N +ATOM 12811 CA ILE G 115 20.060 113.212 124.762 1.00 17.64 C +ATOM 12812 C ILE G 115 20.488 114.319 125.724 1.00 18.53 C +ATOM 12813 O ILE G 115 20.508 115.511 125.354 1.00 17.96 O +ATOM 12814 CB ILE G 115 21.017 113.154 123.537 1.00 16.41 C +ATOM 12815 CG1 ILE G 115 20.428 112.292 122.425 1.00 18.61 C +ATOM 12816 CG2 ILE G 115 22.416 112.642 123.970 1.00 16.63 C +ATOM 12817 CD1 ILE G 115 21.124 112.401 121.059 1.00 16.27 C +ATOM 12818 N LEU G 116 20.805 113.910 126.964 1.00 17.52 N +ATOM 12819 CA LEU G 116 21.301 114.827 127.982 1.00 16.82 C +ATOM 12820 C LEU G 116 22.754 114.516 128.206 1.00 17.59 C +ATOM 12821 O LEU G 116 23.097 113.540 128.887 1.00 17.67 O +ATOM 12822 CB LEU G 116 20.499 114.700 129.276 1.00 16.30 C +ATOM 12823 CG LEU G 116 20.739 115.731 130.388 1.00 19.99 C +ATOM 12824 CD1 LEU G 116 20.314 117.168 129.963 1.00 17.18 C +ATOM 12825 CD2 LEU G 116 20.029 115.338 131.654 1.00 15.94 C +ATOM 12826 N SER G 117 23.609 115.353 127.621 1.00 18.34 N +ATOM 12827 CA SER G 117 25.029 115.164 127.636 1.00 18.18 C +ATOM 12828 C SER G 117 25.647 115.759 128.849 1.00 20.52 C +ATOM 12829 O SER G 117 25.241 116.824 129.283 1.00 20.41 O +ATOM 12830 CB SER G 117 25.689 115.793 126.411 1.00 19.02 C +ATOM 12831 OG SER G 117 27.098 115.520 126.393 1.00 19.45 O +ATOM 12832 N GLY G 118 26.669 115.061 129.345 1.00 20.44 N +ATOM 12833 CA GLY G 118 27.509 115.519 130.399 1.00 20.72 C +ATOM 12834 C GLY G 118 28.909 115.897 129.957 1.00 19.84 C +ATOM 12835 O GLY G 118 29.648 116.351 130.757 1.00 21.18 O +ATOM 12836 N HIS G 119 29.221 115.769 128.669 1.00 19.85 N +ATOM 12837 CA HIS G 119 30.534 116.015 128.118 1.00 20.95 C +ATOM 12838 C HIS G 119 30.419 116.984 126.924 1.00 22.39 C +ATOM 12839 O HIS G 119 29.683 116.735 125.951 1.00 24.06 O +ATOM 12840 CB HIS G 119 31.188 114.681 127.754 1.00 21.07 C +ATOM 12841 CG HIS G 119 32.538 114.809 127.127 1.00 20.76 C +ATOM 12842 ND1 HIS G 119 33.619 115.339 127.788 1.00 22.64 N +ATOM 12843 CD2 HIS G 119 32.980 114.487 125.888 1.00 22.41 C +ATOM 12844 CE1 HIS G 119 34.669 115.340 126.982 1.00 24.77 C +ATOM 12845 NE2 HIS G 119 34.301 114.835 125.821 1.00 20.10 N +ATOM 12846 N GLY G 120 31.089 118.126 127.055 1.00 22.71 N +ATOM 12847 CA GLY G 120 31.054 119.219 126.080 1.00 23.11 C +ATOM 12848 C GLY G 120 31.706 118.849 124.761 1.00 23.52 C +ATOM 12849 O GLY G 120 31.354 119.415 123.722 1.00 24.85 O +ATOM 12850 N GLY G 121 32.632 117.883 124.821 1.00 23.61 N +ATOM 12851 CA GLY G 121 33.261 117.268 123.654 1.00 22.80 C +ATOM 12852 C GLY G 121 32.299 116.519 122.752 1.00 23.00 C +ATOM 12853 O GLY G 121 32.625 116.278 121.579 1.00 23.35 O +ATOM 12854 N ASN G 122 31.140 116.127 123.287 1.00 22.32 N +ATOM 12855 CA ASN G 122 30.132 115.414 122.502 1.00 21.75 C +ATOM 12856 C ASN G 122 29.334 116.407 121.696 1.00 22.06 C +ATOM 12857 O ASN G 122 28.947 117.450 122.196 1.00 21.77 O +ATOM 12858 CB ASN G 122 29.185 114.573 123.380 1.00 19.55 C +ATOM 12859 CG ASN G 122 29.900 113.458 124.139 1.00 20.92 C +ATOM 12860 OD1 ASN G 122 30.915 112.928 123.684 1.00 18.82 O +ATOM 12861 ND2 ASN G 122 29.357 113.089 125.303 1.00 16.11 N +ATOM 12862 N ASN G 123 29.085 116.055 120.446 1.00 21.21 N +ATOM 12863 CA ASN G 123 28.346 116.891 119.503 1.00 22.58 C +ATOM 12864 C ASN G 123 27.410 115.979 118.753 1.00 20.81 C +ATOM 12865 O ASN G 123 27.863 115.008 118.180 1.00 21.47 O +ATOM 12866 CB ASN G 123 29.326 117.518 118.515 1.00 25.79 C +ATOM 12867 CG ASN G 123 30.041 118.704 119.086 1.00 29.78 C +ATOM 12868 OD1 ASN G 123 29.412 119.708 119.400 1.00 35.78 O +ATOM 12869 ND2 ASN G 123 31.379 118.604 119.215 1.00 34.05 N +ATOM 12870 N PHE G 124 26.117 116.278 118.801 1.00 20.41 N +ATOM 12871 CA PHE G 124 25.063 115.383 118.303 1.00 19.29 C +ATOM 12872 C PHE G 124 24.252 115.932 117.129 1.00 19.03 C +ATOM 12873 O PHE G 124 23.357 115.245 116.639 1.00 19.34 O +ATOM 12874 CB PHE G 124 24.113 115.046 119.477 1.00 19.97 C +ATOM 12875 CG PHE G 124 24.799 114.312 120.582 1.00 19.64 C +ATOM 12876 CD1 PHE G 124 25.163 112.968 120.413 1.00 22.56 C +ATOM 12877 CD2 PHE G 124 25.114 114.944 121.775 1.00 18.66 C +ATOM 12878 CE1 PHE G 124 25.854 112.270 121.419 1.00 17.44 C +ATOM 12879 CE2 PHE G 124 25.780 114.251 122.775 1.00 18.10 C +ATOM 12880 CZ PHE G 124 26.144 112.900 122.589 1.00 16.98 C +ATOM 12881 N LYS G 125 24.522 117.161 116.684 1.00 19.01 N +ATOM 12882 CA LYS G 125 23.641 117.807 115.711 1.00 18.76 C +ATOM 12883 C LYS G 125 23.638 117.060 114.373 1.00 18.83 C +ATOM 12884 O LYS G 125 22.593 116.827 113.788 1.00 20.43 O +ATOM 12885 CB LYS G 125 24.022 119.272 115.502 1.00 17.88 C +ATOM 12886 CG LYS G 125 23.852 120.126 116.758 1.00 20.63 C +ATOM 12887 CD LYS G 125 24.038 121.587 116.454 1.00 21.44 C +ATOM 12888 CE LYS G 125 23.668 122.450 117.639 1.00 28.85 C +ATOM 12889 NZ LYS G 125 23.839 123.890 117.257 1.00 33.36 N +ATOM 12890 N GLY G 126 24.812 116.675 113.899 1.00 17.79 N +ATOM 12891 CA GLY G 126 24.911 115.912 112.661 1.00 18.44 C +ATOM 12892 C GLY G 126 24.183 114.576 112.675 1.00 19.25 C +ATOM 12893 O GLY G 126 23.512 114.192 111.717 1.00 17.70 O +HETATM12894 N MSE G 127 24.350 113.861 113.768 1.00 19.37 N +HETATM12895 CA MSE G 127 23.686 112.601 113.989 1.00 19.46 C +HETATM12896 C MSE G 127 22.223 112.786 113.989 1.00 18.37 C +HETATM12897 O MSE G 127 21.497 111.992 113.429 1.00 17.54 O +HETATM12898 CB MSE G 127 24.035 112.037 115.357 1.00 20.52 C +HETATM12899 CG MSE G 127 25.412 111.560 115.473 1.00 21.61 C +HETATM12900 SE MSE G 127 25.820 110.820 117.266 0.75 19.97 SE +HETATM12901 CE MSE G 127 27.582 111.507 117.356 1.00 10.96 C +ATOM 12902 N ILE G 128 21.771 113.827 114.662 1.00 18.71 N +ATOM 12903 CA ILE G 128 20.338 114.091 114.768 1.00 18.33 C +ATOM 12904 C ILE G 128 19.773 114.452 113.380 1.00 18.25 C +ATOM 12905 O ILE G 128 18.716 113.968 113.023 1.00 17.90 O +ATOM 12906 CB ILE G 128 20.049 115.204 115.820 1.00 17.59 C +ATOM 12907 CG1 ILE G 128 20.295 114.636 117.219 1.00 19.29 C +ATOM 12908 CG2 ILE G 128 18.613 115.719 115.719 1.00 19.05 C +ATOM 12909 CD1 ILE G 128 20.321 115.671 118.276 1.00 16.88 C +ATOM 12910 N ARG G 129 20.508 115.259 112.604 1.00 18.21 N +ATOM 12911 CA ARG G 129 20.066 115.601 111.246 1.00 18.69 C +ATOM 12912 C ARG G 129 19.885 114.370 110.380 1.00 18.98 C +ATOM 12913 O ARG G 129 18.872 114.227 109.723 1.00 20.40 O +ATOM 12914 CB ARG G 129 21.040 116.575 110.558 1.00 19.36 C +ATOM 12915 CG ARG G 129 20.916 117.989 111.063 1.00 20.22 C +ATOM 12916 CD ARG G 129 21.821 118.975 110.294 1.00 20.89 C +ATOM 12917 NE ARG G 129 21.407 120.333 110.635 1.00 24.57 N +ATOM 12918 CZ ARG G 129 22.017 121.148 111.503 1.00 24.82 C +ATOM 12919 NH1 ARG G 129 23.135 120.794 112.127 1.00 26.97 N +ATOM 12920 NH2 ARG G 129 21.517 122.361 111.723 1.00 27.07 N +ATOM 12921 N ASP G 130 20.867 113.480 110.386 1.00 18.86 N +ATOM 12922 CA ASP G 130 20.813 112.246 109.583 1.00 18.99 C +ATOM 12923 C ASP G 130 19.690 111.316 109.978 1.00 19.71 C +ATOM 12924 O ASP G 130 18.980 110.755 109.120 1.00 20.72 O +ATOM 12925 CB ASP G 130 22.188 111.534 109.585 1.00 20.18 C +ATOM 12926 CG ASP G 130 23.279 112.364 108.857 1.00 23.26 C +ATOM 12927 OD1 ASP G 130 22.907 113.279 108.075 1.00 24.54 O +ATOM 12928 OD2 ASP G 130 24.505 112.099 109.039 1.00 26.24 O +ATOM 12929 N LEU G 131 19.509 111.148 111.273 1.00 19.43 N +ATOM 12930 CA LEU G 131 18.458 110.316 111.772 1.00 20.00 C +ATOM 12931 C LEU G 131 17.062 110.931 111.558 1.00 20.82 C +ATOM 12932 O LEU G 131 16.086 110.202 111.528 1.00 21.08 O +ATOM 12933 CB LEU G 131 18.661 110.035 113.261 1.00 19.83 C +ATOM 12934 CG LEU G 131 19.768 109.049 113.532 1.00 22.38 C +ATOM 12935 CD1 LEU G 131 20.304 109.359 114.886 1.00 22.09 C +ATOM 12936 CD2 LEU G 131 19.224 107.651 113.427 1.00 19.32 C +ATOM 12937 N ALA G 132 16.983 112.255 111.428 1.00 21.31 N +ATOM 12938 CA ALA G 132 15.724 112.935 111.129 1.00 22.00 C +ATOM 12939 C ALA G 132 15.179 112.535 109.758 1.00 22.18 C +ATOM 12940 O ALA G 132 13.987 112.579 109.537 1.00 24.26 O +ATOM 12941 CB ALA G 132 15.913 114.441 111.225 1.00 19.74 C +ATOM 12942 N PHE G 133 16.062 112.139 108.850 1.00 24.16 N +ATOM 12943 CA PHE G 133 15.685 111.670 107.524 1.00 25.38 C +ATOM 12944 C PHE G 133 15.398 110.162 107.526 1.00 26.47 C +ATOM 12945 O PHE G 133 14.482 109.699 106.842 1.00 27.46 O +ATOM 12946 CB PHE G 133 16.789 112.031 106.514 1.00 26.25 C +ATOM 12947 CG PHE G 133 16.943 113.536 106.279 1.00 26.67 C +ATOM 12948 CD1 PHE G 133 15.876 114.293 105.812 1.00 29.52 C +ATOM 12949 CD2 PHE G 133 18.152 114.177 106.505 1.00 26.75 C +ATOM 12950 CE1 PHE G 133 16.001 115.667 105.556 1.00 26.06 C +ATOM 12951 CE2 PHE G 133 18.293 115.562 106.271 1.00 26.25 C +ATOM 12952 CZ PHE G 133 17.204 116.306 105.786 1.00 25.82 C +ATOM 12953 N GLU G 134 16.152 109.395 108.317 1.00 27.37 N +ATOM 12954 CA GLU G 134 15.864 107.951 108.470 1.00 30.71 C +ATOM 12955 C GLU G 134 14.577 107.676 109.237 1.00 26.03 C +ATOM 12956 O GLU G 134 13.846 106.744 108.905 1.00 25.02 O +ATOM 12957 CB GLU G 134 16.964 107.255 109.254 1.00 32.18 C +ATOM 12958 CG GLU G 134 18.341 107.271 108.649 1.00 40.90 C +ATOM 12959 CD GLU G 134 19.301 106.376 109.441 1.00 41.66 C +ATOM 12960 OE1 GLU G 134 20.453 106.815 109.702 1.00 58.92 O +ATOM 12961 OE2 GLU G 134 18.883 105.240 109.803 1.00 58.75 O +ATOM 12962 N TYR G 135 14.340 108.452 110.301 1.00 23.10 N +ATOM 12963 CA TYR G 135 13.201 108.250 111.187 1.00 22.10 C +ATOM 12964 C TYR G 135 12.453 109.562 111.302 1.00 22.92 C +ATOM 12965 O TYR G 135 12.587 110.254 112.318 1.00 21.20 O +ATOM 12966 CB TYR G 135 13.630 107.790 112.585 1.00 21.10 C +ATOM 12967 CG TYR G 135 14.294 106.472 112.615 1.00 20.63 C +ATOM 12968 CD1 TYR G 135 13.561 105.294 112.722 1.00 23.64 C +ATOM 12969 CD2 TYR G 135 15.669 106.380 112.531 1.00 24.00 C +ATOM 12970 CE1 TYR G 135 14.196 104.056 112.728 1.00 26.36 C +ATOM 12971 CE2 TYR G 135 16.311 105.152 112.542 1.00 22.83 C +ATOM 12972 CZ TYR G 135 15.583 104.008 112.646 1.00 23.84 C +ATOM 12973 OH TYR G 135 16.246 102.817 112.657 1.00 25.90 O +ATOM 12974 N PRO G 136 11.709 109.945 110.240 1.00 24.51 N +ATOM 12975 CA PRO G 136 11.019 111.249 110.232 1.00 25.89 C +ATOM 12976 C PRO G 136 9.959 111.428 111.306 1.00 25.47 C +ATOM 12977 O PRO G 136 9.563 112.551 111.582 1.00 26.61 O +ATOM 12978 CB PRO G 136 10.368 111.311 108.843 1.00 27.17 C +ATOM 12979 CG PRO G 136 10.352 109.910 108.352 1.00 28.25 C +ATOM 12980 CD PRO G 136 11.509 109.208 108.979 1.00 24.83 C +ATOM 12981 N ASP G 137 9.517 110.331 111.909 1.00 25.52 N +ATOM 12982 CA ASP G 137 8.494 110.382 112.942 1.00 25.93 C +ATOM 12983 C ASP G 137 9.060 110.363 114.392 1.00 24.56 C +ATOM 12984 O ASP G 137 8.309 110.284 115.343 1.00 23.49 O +ATOM 12985 CB ASP G 137 7.444 109.274 112.680 1.00 26.93 C +ATOM 12986 CG ASP G 137 8.020 107.841 112.708 1.00 33.60 C +ATOM 12987 OD1 ASP G 137 9.252 107.631 112.771 1.00 30.05 O +ATOM 12988 OD2 ASP G 137 7.186 106.903 112.661 1.00 43.91 O +ATOM 12989 N PHE G 138 10.383 110.488 114.528 1.00 23.21 N +ATOM 12990 CA PHE G 138 11.088 110.280 115.787 1.00 21.68 C +ATOM 12991 C PHE G 138 11.820 111.585 116.117 1.00 21.48 C +ATOM 12992 O PHE G 138 12.722 112.011 115.375 1.00 21.66 O +ATOM 12993 CB PHE G 138 12.074 109.113 115.644 1.00 24.76 C +ATOM 12994 CG PHE G 138 12.582 108.556 116.946 1.00 21.50 C +ATOM 12995 CD1 PHE G 138 13.632 109.154 117.598 1.00 29.29 C +ATOM 12996 CD2 PHE G 138 12.043 107.385 117.471 1.00 23.22 C +ATOM 12997 CE1 PHE G 138 14.116 108.641 118.784 1.00 28.59 C +ATOM 12998 CE2 PHE G 138 12.507 106.858 118.655 1.00 23.52 C +ATOM 12999 CZ PHE G 138 13.545 107.485 119.319 1.00 25.94 C +ATOM 13000 N LEU G 139 11.382 112.221 117.201 1.00 21.09 N +ATOM 13001 CA LEU G 139 11.912 113.497 117.628 1.00 21.50 C +ATOM 13002 C LEU G 139 13.114 113.233 118.533 1.00 21.22 C +ATOM 13003 O LEU G 139 12.991 112.486 119.505 1.00 21.87 O +ATOM 13004 CB LEU G 139 10.844 114.278 118.400 1.00 21.73 C +ATOM 13005 CG LEU G 139 11.205 115.685 118.900 1.00 23.82 C +ATOM 13006 CD1 LEU G 139 11.570 116.588 117.693 1.00 24.68 C +ATOM 13007 CD2 LEU G 139 10.068 116.244 119.685 1.00 21.23 C +ATOM 13008 N ILE G 140 14.262 113.802 118.165 1.00 19.91 N +ATOM 13009 CA ILE G 140 15.459 113.787 118.992 1.00 19.24 C +ATOM 13010 C ILE G 140 15.932 115.220 119.289 1.00 19.22 C +ATOM 13011 O ILE G 140 16.241 115.989 118.379 1.00 18.37 O +ATOM 13012 CB ILE G 140 16.632 113.012 118.345 1.00 18.65 C +ATOM 13013 CG1 ILE G 140 16.194 111.647 117.813 1.00 21.12 C +ATOM 13014 CG2 ILE G 140 17.810 112.838 119.347 1.00 16.70 C +ATOM 13015 CD1 ILE G 140 17.353 110.875 117.073 1.00 18.92 C +ATOM 13016 N ALA G 141 16.002 115.545 120.588 1.00 19.52 N +ATOM 13017 CA ALA G 141 16.612 116.795 121.082 1.00 18.54 C +ATOM 13018 C ALA G 141 17.936 116.476 121.770 1.00 18.21 C +ATOM 13019 O ALA G 141 18.088 115.383 122.253 1.00 18.55 O +ATOM 13020 CB ALA G 141 15.669 117.485 122.077 1.00 17.84 C +ATOM 13021 N ALA G 142 18.861 117.448 121.828 1.00 17.56 N +ATOM 13022 CA ALA G 142 20.084 117.334 122.624 1.00 18.20 C +ATOM 13023 C ALA G 142 20.273 118.539 123.512 1.00 19.04 C +ATOM 13024 O ALA G 142 19.969 119.629 123.108 1.00 19.58 O +ATOM 13025 CB ALA G 142 21.299 117.171 121.742 1.00 17.30 C +ATOM 13026 N ALA G 143 20.814 118.337 124.716 1.00 19.82 N +ATOM 13027 CA ALA G 143 21.222 119.435 125.596 1.00 20.42 C +ATOM 13028 C ALA G 143 22.418 119.057 126.464 1.00 20.62 C +ATOM 13029 O ALA G 143 22.547 117.900 126.876 1.00 19.78 O +ATOM 13030 CB ALA G 143 20.056 119.821 126.493 1.00 19.96 C +ATOM 13031 N ASN G 144 23.287 120.021 126.759 1.00 20.64 N +ATOM 13032 CA ASN G 144 24.255 119.828 127.826 1.00 21.74 C +ATOM 13033 C ASN G 144 23.592 120.255 129.122 1.00 21.40 C +ATOM 13034 O ASN G 144 23.083 121.373 129.172 1.00 21.25 O +ATOM 13035 CB ASN G 144 25.509 120.690 127.630 1.00 22.42 C +ATOM 13036 CG ASN G 144 26.352 120.260 126.438 1.00 28.68 C +ATOM 13037 OD1 ASN G 144 26.842 119.123 126.366 1.00 28.07 O +ATOM 13038 ND2 ASN G 144 26.542 121.190 125.492 1.00 23.04 N +ATOM 13039 N TRP G 145 23.640 119.419 130.169 1.00 19.93 N +ATOM 13040 CA TRP G 145 22.962 119.751 131.439 1.00 20.34 C +ATOM 13041 C TRP G 145 23.536 121.064 131.994 1.00 20.46 C +ATOM 13042 O TRP G 145 22.836 121.824 132.620 1.00 20.47 O +ATOM 13043 CB TRP G 145 23.076 118.619 132.502 1.00 19.48 C +ATOM 13044 CG TRP G 145 24.453 118.471 133.103 1.00 18.88 C +ATOM 13045 CD1 TRP G 145 25.425 117.617 132.676 1.00 19.75 C +ATOM 13046 CD2 TRP G 145 25.033 119.216 134.190 1.00 22.46 C +ATOM 13047 NE1 TRP G 145 26.568 117.767 133.423 1.00 22.45 N +ATOM 13048 CE2 TRP G 145 26.363 118.753 134.354 1.00 17.56 C +ATOM 13049 CE3 TRP G 145 24.568 120.236 135.035 1.00 22.76 C +ATOM 13050 CZ2 TRP G 145 27.210 119.245 135.345 1.00 20.69 C +ATOM 13051 CZ3 TRP G 145 25.416 120.725 136.009 1.00 21.06 C +ATOM 13052 CH2 TRP G 145 26.724 120.244 136.152 1.00 21.01 C +ATOM 13053 N PHE G 146 24.816 121.321 131.727 1.00 21.24 N +ATOM 13054 CA PHE G 146 25.531 122.454 132.299 1.00 21.19 C +ATOM 13055 C PHE G 146 25.330 123.728 131.535 1.00 21.82 C +ATOM 13056 O PHE G 146 25.842 124.755 131.936 1.00 23.87 O +ATOM 13057 CB PHE G 146 27.024 122.157 132.442 1.00 21.97 C +ATOM 13058 CG PHE G 146 27.651 121.599 131.200 1.00 25.64 C +ATOM 13059 CD1 PHE G 146 28.173 122.455 130.208 1.00 28.69 C +ATOM 13060 CD2 PHE G 146 27.719 120.227 130.998 1.00 21.78 C +ATOM 13061 CE1 PHE G 146 28.755 121.924 129.035 1.00 26.74 C +ATOM 13062 CE2 PHE G 146 28.303 119.704 129.834 1.00 25.75 C +ATOM 13063 CZ PHE G 146 28.799 120.546 128.859 1.00 27.23 C +ATOM 13064 N GLU G 147 24.532 123.675 130.478 1.00 21.74 N +ATOM 13065 CA GLU G 147 24.121 124.836 129.730 1.00 21.79 C +ATOM 13066 C GLU G 147 22.666 125.232 129.958 1.00 22.28 C +ATOM 13067 O GLU G 147 22.254 126.270 129.476 1.00 24.00 O +ATOM 13068 CB GLU G 147 24.403 124.604 128.237 1.00 20.99 C +ATOM 13069 CG GLU G 147 25.908 124.670 127.926 1.00 22.32 C +ATOM 13070 CD GLU G 147 26.266 124.246 126.467 1.00 28.73 C +ATOM 13071 OE1 GLU G 147 25.382 123.676 125.739 1.00 29.80 O +ATOM 13072 OE2 GLU G 147 27.448 124.461 126.076 1.00 33.02 O +ATOM 13073 N VAL G 148 21.894 124.446 130.705 1.00 23.21 N +ATOM 13074 CA VAL G 148 20.470 124.785 130.973 1.00 22.45 C +ATOM 13075 C VAL G 148 20.294 126.132 131.742 1.00 23.80 C +ATOM 13076 O VAL G 148 19.460 126.989 131.397 1.00 22.58 O +ATOM 13077 CB VAL G 148 19.770 123.627 131.728 1.00 24.25 C +ATOM 13078 CG1 VAL G 148 18.325 124.008 132.173 1.00 20.75 C +ATOM 13079 CG2 VAL G 148 19.748 122.382 130.852 1.00 20.92 C +ATOM 13080 N VAL G 149 21.129 126.308 132.761 1.00 23.61 N +ATOM 13081 CA VAL G 149 21.154 127.503 133.607 1.00 23.07 C +ATOM 13082 C VAL G 149 22.595 128.023 133.675 1.00 24.03 C +ATOM 13083 O VAL G 149 23.511 127.258 133.857 1.00 23.93 O +ATOM 13084 CB VAL G 149 20.676 127.174 135.054 1.00 22.17 C +ATOM 13085 CG1 VAL G 149 20.876 128.355 135.983 1.00 24.11 C +ATOM 13086 CG2 VAL G 149 19.222 126.730 135.050 1.00 19.62 C +ATOM 13087 N SER G 150 22.779 129.318 133.493 1.00 26.30 N +ATOM 13088 CA SER G 150 24.089 129.946 133.609 1.00 29.24 C +ATOM 13089 C SER G 150 24.702 129.798 135.010 1.00 29.77 C +ATOM 13090 O SER G 150 24.002 129.917 136.024 1.00 29.74 O +ATOM 13091 CB SER G 150 23.988 131.445 133.307 1.00 29.88 C +ATOM 13092 OG SER G 150 25.125 132.125 133.805 1.00 29.39 O +ATOM 13093 N PRO G 151 26.018 129.562 135.071 1.00 31.83 N +ATOM 13094 CA PRO G 151 26.671 129.442 136.376 1.00 32.67 C +ATOM 13095 C PRO G 151 26.824 130.763 137.145 1.00 34.16 C +ATOM 13096 O PRO G 151 27.163 130.743 138.327 1.00 33.85 O +ATOM 13097 CB PRO G 151 28.052 128.898 136.015 1.00 33.31 C +ATOM 13098 CG PRO G 151 28.300 129.409 134.626 1.00 32.71 C +ATOM 13099 CD PRO G 151 26.964 129.346 133.954 1.00 32.58 C +ATOM 13100 N LYS G 152 26.609 131.904 136.499 1.00 31.74 N +ATOM 13101 CA LYS G 152 26.851 133.191 137.165 1.00 32.73 C +ATOM 13102 C LYS G 152 25.930 133.362 138.397 1.00 31.06 C +ATOM 13103 O LYS G 152 24.728 133.070 138.350 1.00 27.95 O +ATOM 13104 CB LYS G 152 26.684 134.374 136.205 1.00 32.53 C +ATOM 13105 CG LYS G 152 27.128 135.737 136.796 1.00 31.96 C +ATOM 13106 CD LYS G 152 26.905 136.858 135.799 1.00 34.56 C +ATOM 13107 CE LYS G 152 27.496 138.194 136.255 1.00 37.05 C +ATOM 13108 NZ LYS G 152 29.036 138.186 136.295 1.00 34.98 N +ATOM 13109 N GLY G 153 26.523 133.798 139.504 1.00 28.33 N +ATOM 13110 CA GLY G 153 25.800 133.875 140.761 1.00 28.47 C +ATOM 13111 C GLY G 153 25.783 132.566 141.527 1.00 28.93 C +ATOM 13112 O GLY G 153 25.381 132.568 142.688 1.00 31.38 O +ATOM 13113 N TYR G 154 26.183 131.453 140.899 1.00 28.66 N +ATOM 13114 CA TYR G 154 26.143 130.138 141.578 1.00 26.41 C +ATOM 13115 C TYR G 154 27.526 129.667 142.020 1.00 24.97 C +ATOM 13116 O TYR G 154 27.652 128.971 143.015 1.00 25.98 O +ATOM 13117 CB TYR G 154 25.457 129.068 140.715 1.00 25.67 C +ATOM 13118 CG TYR G 154 23.965 129.268 140.521 1.00 23.46 C +ATOM 13119 CD1 TYR G 154 23.031 128.775 141.446 1.00 23.40 C +ATOM 13120 CD2 TYR G 154 23.478 129.925 139.406 1.00 19.58 C +ATOM 13121 CE1 TYR G 154 21.636 128.976 141.256 1.00 22.82 C +ATOM 13122 CE2 TYR G 154 22.125 130.101 139.217 1.00 21.96 C +ATOM 13123 CZ TYR G 154 21.211 129.627 140.140 1.00 22.57 C +ATOM 13124 OH TYR G 154 19.880 129.801 139.899 1.00 21.97 O +ATOM 13125 N PHE G 155 28.564 130.080 141.300 1.00 25.17 N +ATOM 13126 CA PHE G 155 29.912 129.665 141.608 1.00 26.69 C +ATOM 13127 C PHE G 155 30.840 130.863 141.485 1.00 29.33 C +ATOM 13128 O PHE G 155 30.590 131.769 140.699 1.00 31.28 O +ATOM 13129 CB PHE G 155 30.345 128.506 140.677 1.00 26.19 C +ATOM 13130 CG PHE G 155 29.345 127.361 140.620 1.00 24.63 C +ATOM 13131 CD1 PHE G 155 29.274 126.430 141.643 1.00 20.11 C +ATOM 13132 CD2 PHE G 155 28.434 127.276 139.582 1.00 21.91 C +ATOM 13133 CE1 PHE G 155 28.350 125.420 141.620 1.00 21.43 C +ATOM 13134 CE2 PHE G 155 27.489 126.262 139.535 1.00 22.85 C +ATOM 13135 CZ PHE G 155 27.435 125.331 140.559 1.00 23.63 C +ATOM 13136 N GLU G 156 31.923 130.825 142.256 1.00 31.99 N +ATOM 13137 CA GLU G 156 32.895 131.921 142.349 1.00 37.09 C +ATOM 13138 C GLU G 156 33.942 131.904 141.251 1.00 34.18 C +ATOM 13139 O GLU G 156 34.201 132.915 140.629 1.00 35.28 O +ATOM 13140 CB GLU G 156 33.610 131.861 143.704 1.00 36.77 C +ATOM 13141 CG GLU G 156 32.642 131.805 144.902 1.00 46.78 C +ATOM 13142 CD GLU G 156 33.349 131.800 146.267 1.00 45.68 C +ATOM 13143 OE1 GLU G 156 34.283 132.628 146.453 1.00 56.74 O +ATOM 13144 OE2 GLU G 156 32.966 130.962 147.138 1.00 47.26 O +ATOM 13145 N ALA G 157 34.588 130.763 141.049 1.00 35.25 N +ATOM 13146 CA ALA G 157 35.715 130.662 140.119 1.00 34.70 C +ATOM 13147 C ALA G 157 35.268 131.128 138.737 1.00 35.90 C +ATOM 13148 O ALA G 157 34.193 130.737 138.271 1.00 35.77 O +ATOM 13149 CB ALA G 157 36.213 129.233 140.065 1.00 33.55 C +ATOM 13150 N GLU G 158 36.080 131.947 138.076 1.00 37.66 N +ATOM 13151 CA GLU G 158 35.695 132.473 136.769 1.00 41.02 C +ATOM 13152 C GLU G 158 35.998 131.517 135.613 1.00 37.97 C +ATOM 13153 O GLU G 158 35.185 131.411 134.701 1.00 38.22 O +ATOM 13154 CB GLU G 158 36.295 133.859 136.536 1.00 43.49 C +ATOM 13155 CG GLU G 158 35.443 134.964 137.196 1.00 48.91 C +ATOM 13156 CD GLU G 158 35.969 136.361 136.916 1.00 50.55 C +ATOM 13157 OE1 GLU G 158 37.188 136.499 136.605 1.00 64.14 O +ATOM 13158 OE2 GLU G 158 35.152 137.312 137.010 1.00 58.93 O +ATOM 13159 N ILE G 159 37.154 130.849 135.646 1.00 35.29 N +ATOM 13160 CA ILE G 159 37.438 129.728 134.738 1.00 34.15 C +ATOM 13161 C ILE G 159 36.911 128.433 135.389 1.00 32.62 C +ATOM 13162 O ILE G 159 37.220 128.101 136.541 1.00 30.51 O +ATOM 13163 CB ILE G 159 38.948 129.605 134.400 1.00 36.17 C +ATOM 13164 CG1 ILE G 159 39.404 130.808 133.559 1.00 32.89 C +ATOM 13165 CG2 ILE G 159 39.248 128.249 133.685 1.00 31.87 C +ATOM 13166 CD1 ILE G 159 40.883 131.116 133.730 1.00 37.02 C +ATOM 13167 N ASP G 160 36.070 127.741 134.636 1.00 31.56 N +ATOM 13168 CA ASP G 160 35.363 126.557 135.125 1.00 32.50 C +ATOM 13169 C ASP G 160 34.909 125.750 133.905 1.00 31.97 C +ATOM 13170 O ASP G 160 33.710 125.728 133.575 1.00 32.86 O +ATOM 13171 CB ASP G 160 34.168 126.983 136.005 1.00 32.14 C +ATOM 13172 CG ASP G 160 33.498 125.804 136.710 1.00 34.23 C +ATOM 13173 OD1 ASP G 160 33.787 124.664 136.348 1.00 39.68 O +ATOM 13174 OD2 ASP G 160 32.654 125.995 137.607 1.00 40.96 O +ATOM 13175 N ASP G 161 35.876 125.115 133.236 1.00 31.23 N +ATOM 13176 CA ASP G 161 35.604 124.389 131.996 1.00 30.56 C +ATOM 13177 C ASP G 161 35.475 122.882 132.154 1.00 29.45 C +ATOM 13178 O ASP G 161 34.652 122.278 131.488 1.00 30.42 O +ATOM 13179 CB ASP G 161 36.636 124.720 130.927 1.00 29.97 C +ATOM 13180 CG ASP G 161 36.431 126.109 130.333 1.00 36.43 C +ATOM 13181 OD1 ASP G 161 35.256 126.545 130.198 1.00 45.51 O +ATOM 13182 OD2 ASP G 161 37.436 126.764 129.996 1.00 45.19 O +ATOM 13183 N HIS G 162 36.247 122.292 133.055 1.00 26.41 N +ATOM 13184 CA HIS G 162 36.320 120.845 133.215 1.00 23.66 C +ATOM 13185 C HIS G 162 36.808 120.478 134.622 1.00 22.32 C +ATOM 13186 O HIS G 162 37.921 120.827 134.989 1.00 20.73 O +ATOM 13187 CB HIS G 162 37.308 120.280 132.177 1.00 24.33 C +ATOM 13188 CG HIS G 162 37.547 118.808 132.303 1.00 21.25 C +ATOM 13189 ND1 HIS G 162 36.544 117.875 132.133 1.00 21.31 N +ATOM 13190 CD2 HIS G 162 38.673 118.108 132.579 1.00 22.37 C +ATOM 13191 CE1 HIS G 162 37.047 116.663 132.305 1.00 25.97 C +ATOM 13192 NE2 HIS G 162 38.336 116.776 132.580 1.00 20.84 N +ATOM 13193 N ALA G 163 35.989 119.755 135.381 1.00 21.14 N +ATOM 13194 CA ALA G 163 36.342 119.308 136.733 1.00 21.50 C +ATOM 13195 C ALA G 163 36.563 120.517 137.652 1.00 23.44 C +ATOM 13196 O ALA G 163 37.405 120.479 138.577 1.00 23.66 O +ATOM 13197 CB ALA G 163 37.582 118.437 136.703 1.00 20.40 C +ATOM 13198 N GLY G 164 35.821 121.592 137.394 1.00 23.50 N +ATOM 13199 CA GLY G 164 35.993 122.824 138.139 1.00 23.87 C +ATOM 13200 C GLY G 164 35.068 122.901 139.321 1.00 23.62 C +ATOM 13201 O GLY G 164 34.715 121.899 139.918 1.00 23.70 O +ATOM 13202 N GLU G 165 34.667 124.120 139.642 1.00 23.26 N +ATOM 13203 CA GLU G 165 33.851 124.375 140.786 1.00 22.72 C +ATOM 13204 C GLU G 165 32.438 123.836 140.635 1.00 22.13 C +ATOM 13205 O GLU G 165 31.886 123.288 141.593 1.00 22.80 O +ATOM 13206 CB GLU G 165 33.824 125.890 141.073 1.00 24.63 C +ATOM 13207 CG GLU G 165 33.180 126.218 142.448 1.00 24.46 C +ATOM 13208 CD GLU G 165 33.295 127.681 142.844 1.00 27.09 C +ATOM 13209 OE1 GLU G 165 34.389 128.279 142.660 1.00 30.01 O +ATOM 13210 OE2 GLU G 165 32.287 128.221 143.347 1.00 28.25 O +ATOM 13211 N SER G 166 31.850 123.998 139.443 1.00 22.34 N +ATOM 13212 CA SER G 166 30.478 123.548 139.187 1.00 23.05 C +ATOM 13213 C SER G 166 30.339 122.037 139.176 1.00 22.75 C +ATOM 13214 O SER G 166 29.479 121.507 139.854 1.00 24.78 O +ATOM 13215 CB SER G 166 29.909 124.134 137.893 1.00 21.94 C +ATOM 13216 OG SER G 166 30.839 123.991 136.849 1.00 27.65 O +ATOM 13217 N GLU G 167 31.150 121.349 138.386 1.00 23.32 N +ATOM 13218 CA GLU G 167 31.089 119.895 138.363 1.00 22.93 C +ATOM 13219 C GLU G 167 31.422 119.339 139.740 1.00 21.12 C +ATOM 13220 O GLU G 167 30.801 118.402 140.207 1.00 20.09 O +ATOM 13221 CB GLU G 167 32.066 119.302 137.329 1.00 24.09 C +ATOM 13222 CG GLU G 167 31.449 119.020 135.979 1.00 23.60 C +ATOM 13223 CD GLU G 167 32.381 118.244 135.049 1.00 26.90 C +ATOM 13224 OE1 GLU G 167 33.619 118.488 135.073 1.00 20.44 O +ATOM 13225 OE2 GLU G 167 31.854 117.407 134.275 1.00 21.16 O +ATOM 13226 N THR G 168 32.454 119.901 140.368 1.00 20.59 N +ATOM 13227 CA THR G 168 32.812 119.461 141.715 1.00 20.41 C +ATOM 13228 C THR G 168 31.665 119.610 142.702 1.00 20.50 C +ATOM 13229 O THR G 168 31.380 118.691 143.451 1.00 22.29 O +ATOM 13230 CB THR G 168 34.019 120.192 142.210 1.00 21.09 C +ATOM 13231 OG1 THR G 168 35.102 119.932 141.303 1.00 18.33 O +ATOM 13232 CG2 THR G 168 34.379 119.706 143.619 1.00 15.34 C +ATOM 13233 N SER G 169 30.990 120.753 142.675 1.00 20.67 N +ATOM 13234 CA SER G 169 29.893 121.035 143.597 1.00 20.54 C +ATOM 13235 C SER G 169 28.702 120.142 143.359 1.00 21.08 C +ATOM 13236 O SER G 169 28.050 119.662 144.297 1.00 21.17 O +ATOM 13237 CB SER G 169 29.471 122.497 143.453 1.00 21.23 C +ATOM 13238 OG SER G 169 30.517 123.356 143.866 1.00 23.76 O +ATOM 13239 N VAL G 170 28.394 119.906 142.090 1.00 21.24 N +ATOM 13240 CA VAL G 170 27.282 119.012 141.766 1.00 20.00 C +ATOM 13241 C VAL G 170 27.603 117.571 142.203 1.00 20.20 C +ATOM 13242 O VAL G 170 26.756 116.905 142.809 1.00 22.77 O +ATOM 13243 CB VAL G 170 26.830 119.149 140.298 1.00 19.53 C +ATOM 13244 CG1 VAL G 170 25.669 118.202 140.015 1.00 18.34 C +ATOM 13245 CG2 VAL G 170 26.403 120.606 140.027 1.00 17.15 C +HETATM13246 N MSE G 171 28.824 117.112 141.993 1.00 19.46 N +HETATM13247 CA MSE G 171 29.209 115.779 142.484 1.00 20.45 C +HETATM13248 C MSE G 171 29.155 115.644 144.031 1.00 21.23 C +HETATM13249 O MSE G 171 28.663 114.620 144.561 1.00 21.44 O +HETATM13250 CB MSE G 171 30.592 115.376 141.964 1.00 20.25 C +HETATM13251 CG MSE G 171 30.972 113.909 142.263 1.00 21.82 C +HETATM13252 SE MSE G 171 29.770 112.634 141.394 0.75 23.51 SE +HETATM13253 CE MSE G 171 30.273 113.079 139.505 1.00 19.11 C +HETATM13254 N MSE G 172 29.611 116.683 144.743 1.00 21.83 N +HETATM13255 CA MSE G 172 29.535 116.720 146.203 1.00 21.81 C +HETATM13256 C MSE G 172 28.081 116.620 146.689 1.00 22.28 C +HETATM13257 O MSE G 172 27.815 115.986 147.720 1.00 23.44 O +HETATM13258 CB MSE G 172 30.190 117.991 146.740 1.00 23.20 C +HETATM13259 CG MSE G 172 31.674 117.974 146.586 1.00 22.83 C +HETATM13260 SE MSE G 172 32.612 119.608 147.044 0.75 27.11 SE +HETATM13261 CE MSE G 172 32.604 119.401 149.042 1.00 25.48 C +ATOM 13262 N HIS G 173 27.159 117.233 145.940 1.00 21.79 N +ATOM 13263 CA HIS G 173 25.748 117.161 146.231 1.00 21.66 C +ATOM 13264 C HIS G 173 25.215 115.721 146.039 1.00 22.96 C +ATOM 13265 O HIS G 173 24.740 115.080 146.969 1.00 22.57 O +ATOM 13266 CB HIS G 173 24.982 118.194 145.383 1.00 21.17 C +ATOM 13267 CG HIS G 173 23.501 118.067 145.477 1.00 22.92 C +ATOM 13268 ND1 HIS G 173 22.819 118.145 146.671 1.00 23.54 N +ATOM 13269 CD2 HIS G 173 22.563 117.846 144.522 1.00 24.05 C +ATOM 13270 CE1 HIS G 173 21.525 117.981 146.450 1.00 23.70 C +ATOM 13271 NE2 HIS G 173 21.344 117.783 145.155 1.00 22.85 N +ATOM 13272 N TYR G 174 25.328 115.210 144.829 1.00 22.52 N +ATOM 13273 CA TYR G 174 24.784 113.903 144.501 1.00 21.65 C +ATOM 13274 C TYR G 174 25.532 112.726 145.092 1.00 20.54 C +ATOM 13275 O TYR G 174 24.885 111.731 145.487 1.00 19.44 O +ATOM 13276 CB TYR G 174 24.719 113.722 142.977 1.00 20.21 C +ATOM 13277 CG TYR G 174 23.578 114.473 142.360 1.00 21.01 C +ATOM 13278 CD1 TYR G 174 22.268 114.224 142.745 1.00 20.95 C +ATOM 13279 CD2 TYR G 174 23.808 115.438 141.398 1.00 17.75 C +ATOM 13280 CE1 TYR G 174 21.207 114.920 142.155 1.00 24.34 C +ATOM 13281 CE2 TYR G 174 22.779 116.119 140.815 1.00 21.14 C +ATOM 13282 CZ TYR G 174 21.472 115.853 141.182 1.00 22.18 C +ATOM 13283 OH TYR G 174 20.456 116.571 140.574 1.00 19.01 O +ATOM 13284 N HIS G 175 26.871 112.809 145.112 1.00 21.82 N +ATOM 13285 CA HIS G 175 27.733 111.697 145.588 1.00 22.07 C +ATOM 13286 C HIS G 175 28.962 112.172 146.368 1.00 23.33 C +ATOM 13287 O HIS G 175 30.117 112.065 145.891 1.00 23.71 O +ATOM 13288 CB HIS G 175 28.180 110.814 144.420 1.00 20.97 C +ATOM 13289 CG HIS G 175 27.054 110.139 143.726 1.00 21.39 C +ATOM 13290 ND1 HIS G 175 26.547 108.925 144.138 1.00 24.16 N +ATOM 13291 CD2 HIS G 175 26.309 110.516 142.656 1.00 23.87 C +ATOM 13292 CE1 HIS G 175 25.528 108.594 143.361 1.00 27.82 C +ATOM 13293 NE2 HIS G 175 25.356 109.548 142.462 1.00 25.61 N +ATOM 13294 N PRO G 176 28.742 112.664 147.603 1.00 25.11 N +ATOM 13295 CA PRO G 176 29.880 113.132 148.391 1.00 26.06 C +ATOM 13296 C PRO G 176 30.942 112.042 148.608 1.00 26.12 C +ATOM 13297 O PRO G 176 32.126 112.347 148.647 1.00 27.02 O +ATOM 13298 CB PRO G 176 29.256 113.570 149.712 1.00 25.62 C +ATOM 13299 CG PRO G 176 27.845 113.010 149.703 1.00 25.16 C +ATOM 13300 CD PRO G 176 27.456 112.806 148.310 1.00 25.09 C +ATOM 13301 N GLU G 177 30.508 110.784 148.703 1.00 27.13 N +ATOM 13302 CA GLU G 177 31.426 109.671 148.898 1.00 27.59 C +ATOM 13303 C GLU G 177 32.417 109.486 147.725 1.00 27.41 C +ATOM 13304 O GLU G 177 33.474 108.879 147.896 1.00 26.90 O +ATOM 13305 CB GLU G 177 30.644 108.368 149.196 1.00 27.60 C +ATOM 13306 CG GLU G 177 29.963 107.693 147.977 1.00 32.74 C +ATOM 13307 CD GLU G 177 28.660 108.338 147.495 1.00 35.06 C +ATOM 13308 OE1 GLU G 177 28.232 109.381 148.057 1.00 32.57 O +ATOM 13309 OE2 GLU G 177 28.066 107.797 146.523 1.00 35.85 O +ATOM 13310 N LEU G 178 32.110 110.035 146.550 1.00 26.50 N +ATOM 13311 CA LEU G 178 32.955 109.805 145.376 1.00 25.88 C +ATOM 13312 C LEU G 178 33.982 110.914 145.121 1.00 26.83 C +ATOM 13313 O LEU G 178 34.814 110.777 144.232 1.00 28.61 O +ATOM 13314 CB LEU G 178 32.104 109.540 144.114 1.00 26.27 C +ATOM 13315 CG LEU G 178 31.399 108.200 144.091 1.00 24.86 C +ATOM 13316 CD1 LEU G 178 30.468 108.107 142.895 1.00 23.58 C +ATOM 13317 CD2 LEU G 178 32.477 107.094 144.075 1.00 25.09 C +ATOM 13318 N VAL G 179 33.950 111.984 145.911 1.00 27.02 N +ATOM 13319 CA VAL G 179 34.892 113.068 145.760 1.00 26.76 C +ATOM 13320 C VAL G 179 35.457 113.474 147.130 1.00 28.28 C +ATOM 13321 O VAL G 179 34.717 113.653 148.102 1.00 28.72 O +ATOM 13322 CB VAL G 179 34.278 114.297 144.927 1.00 28.86 C +ATOM 13323 CG1 VAL G 179 32.886 114.678 145.379 1.00 25.82 C +ATOM 13324 CG2 VAL G 179 35.214 115.520 144.938 1.00 26.45 C +ATOM 13325 N ASN G 180 36.781 113.565 147.217 1.00 29.23 N +ATOM 13326 CA ASN G 180 37.450 114.210 148.338 1.00 31.77 C +ATOM 13327 C ASN G 180 38.161 115.474 147.826 1.00 27.78 C +ATOM 13328 O ASN G 180 39.229 115.397 147.217 1.00 27.02 O +ATOM 13329 CB ASN G 180 38.458 113.260 149.020 1.00 35.47 C +ATOM 13330 CG ASN G 180 39.264 113.952 150.149 1.00 46.64 C +ATOM 13331 OD1 ASN G 180 38.711 114.706 150.956 1.00 57.40 O +ATOM 13332 ND2 ASN G 180 40.566 113.681 150.203 1.00 52.62 N +ATOM 13333 N LEU G 181 37.564 116.633 148.090 1.00 27.20 N +ATOM 13334 CA LEU G 181 38.018 117.896 147.496 1.00 27.23 C +ATOM 13335 C LEU G 181 39.468 118.249 147.816 1.00 27.45 C +ATOM 13336 O LEU G 181 40.130 118.976 147.044 1.00 27.07 O +ATOM 13337 CB LEU G 181 37.095 119.023 147.948 1.00 27.89 C +ATOM 13338 CG LEU G 181 37.403 120.389 147.374 1.00 29.53 C +ATOM 13339 CD1 LEU G 181 37.335 120.299 145.824 1.00 27.28 C +ATOM 13340 CD2 LEU G 181 36.486 121.416 147.957 1.00 25.39 C +ATOM 13341 N ALA G 182 39.947 117.755 148.966 1.00 28.37 N +ATOM 13342 CA ALA G 182 41.328 117.975 149.415 1.00 28.81 C +ATOM 13343 C ALA G 182 42.388 117.384 148.464 1.00 30.25 C +ATOM 13344 O ALA G 182 43.544 117.835 148.452 1.00 30.54 O +ATOM 13345 CB ALA G 182 41.491 117.410 150.784 1.00 29.49 C +ATOM 13346 N GLU G 183 41.999 116.384 147.662 1.00 30.88 N +ATOM 13347 CA GLU G 183 42.878 115.801 146.641 1.00 31.47 C +ATOM 13348 C GLU G 183 42.975 116.618 145.320 1.00 28.11 C +ATOM 13349 O GLU G 183 43.819 116.327 144.480 1.00 27.53 O +ATOM 13350 CB GLU G 183 42.414 114.373 146.314 1.00 31.46 C +ATOM 13351 CG GLU G 183 42.511 113.374 147.460 1.00 36.87 C +ATOM 13352 CD GLU G 183 41.590 112.137 147.291 1.00 39.18 C +ATOM 13353 OE1 GLU G 183 41.110 111.848 146.149 1.00 43.81 O +ATOM 13354 OE2 GLU G 183 41.369 111.450 148.319 1.00 42.42 O +ATOM 13355 N ALA G 184 42.134 117.637 145.126 1.00 26.79 N +ATOM 13356 CA ALA G 184 42.135 118.372 143.856 1.00 25.64 C +ATOM 13357 C ALA G 184 43.416 119.134 143.722 1.00 26.39 C +ATOM 13358 O ALA G 184 43.917 119.640 144.718 1.00 27.43 O +ATOM 13359 CB ALA G 184 40.938 119.347 143.781 1.00 24.33 C +ATOM 13360 N GLY G 185 43.939 119.208 142.497 1.00 26.04 N +ATOM 13361 CA GLY G 185 44.910 120.229 142.112 1.00 24.71 C +ATOM 13362 C GLY G 185 44.186 121.508 141.698 1.00 24.97 C +ATOM 13363 O GLY G 185 42.963 121.548 141.641 1.00 24.95 O +ATOM 13364 N ASP G 186 44.934 122.549 141.366 1.00 26.40 N +ATOM 13365 CA ASP G 186 44.368 123.871 141.048 1.00 29.16 C +ATOM 13366 C ASP G 186 43.640 124.003 139.696 1.00 27.49 C +ATOM 13367 O ASP G 186 43.009 125.043 139.418 1.00 27.06 O +ATOM 13368 CB ASP G 186 45.501 124.907 141.045 1.00 32.62 C +ATOM 13369 CG ASP G 186 45.928 125.334 142.443 1.00 43.46 C +ATOM 13370 OD1 ASP G 186 45.248 124.971 143.438 1.00 56.85 O +ATOM 13371 OD2 ASP G 186 46.943 126.058 142.538 1.00 53.96 O +ATOM 13372 N GLY G 187 43.786 123.003 138.829 1.00 27.43 N +ATOM 13373 CA GLY G 187 43.229 123.044 137.470 1.00 26.66 C +ATOM 13374 C GLY G 187 43.708 124.228 136.645 1.00 27.09 C +ATOM 13375 O GLY G 187 42.915 124.848 135.903 1.00 25.91 O +ATOM 13376 N GLU G 188 44.991 124.557 136.768 1.00 27.99 N +ATOM 13377 CA GLU G 188 45.561 125.672 136.009 1.00 30.62 C +ATOM 13378 C GLU G 188 45.631 125.238 134.546 1.00 30.64 C +ATOM 13379 O GLU G 188 45.929 124.079 134.253 1.00 30.18 O +ATOM 13380 CB GLU G 188 46.953 126.053 136.525 1.00 30.22 C +ATOM 13381 N SER G 189 45.351 126.179 133.646 1.00 31.95 N +ATOM 13382 CA SER G 189 45.367 125.938 132.200 1.00 33.03 C +ATOM 13383 C SER G 189 46.154 127.018 131.419 1.00 33.81 C +ATOM 13384 O SER G 189 46.254 128.175 131.845 1.00 34.95 O +ATOM 13385 CB SER G 189 43.934 125.828 131.656 1.00 33.17 C +ATOM 13386 OG SER G 189 43.137 126.933 132.067 1.00 39.11 O +ATOM 13387 N LYS G 190 46.719 126.618 130.287 1.00 32.38 N +ATOM 13388 CA LYS G 190 47.477 127.508 129.431 1.00 34.48 C +ATOM 13389 C LYS G 190 46.709 127.728 128.137 1.00 32.15 C +ATOM 13390 O LYS G 190 46.052 126.803 127.639 1.00 30.84 O +ATOM 13391 CB LYS G 190 48.847 126.912 129.103 1.00 35.73 C +ATOM 13392 CG LYS G 190 49.819 126.974 130.272 1.00 43.59 C +ATOM 13393 CD LYS G 190 51.256 126.728 129.818 1.00 48.40 C +ATOM 13394 CE LYS G 190 52.213 126.769 131.019 1.00 54.26 C +ATOM 13395 NZ LYS G 190 53.630 126.571 130.587 1.00 55.63 N +ATOM 13396 N PRO G 191 46.766 128.969 127.604 1.00 31.10 N +ATOM 13397 CA PRO G 191 46.127 129.313 126.344 1.00 29.75 C +ATOM 13398 C PRO G 191 46.991 128.984 125.117 1.00 27.51 C +ATOM 13399 O PRO G 191 48.160 128.584 125.252 1.00 26.55 O +ATOM 13400 CB PRO G 191 45.960 130.824 126.474 1.00 31.72 C +ATOM 13401 CG PRO G 191 47.194 131.235 127.220 1.00 30.91 C +ATOM 13402 CD PRO G 191 47.426 130.143 128.216 1.00 30.70 C +ATOM 13403 N PHE G 192 46.423 129.165 123.925 1.00 26.53 N +ATOM 13404 CA PHE G 192 47.175 128.948 122.689 1.00 25.70 C +ATOM 13405 C PHE G 192 48.190 130.090 122.512 1.00 26.12 C +ATOM 13406 O PHE G 192 48.057 131.164 123.113 1.00 25.48 O +ATOM 13407 CB PHE G 192 46.254 128.927 121.461 1.00 25.41 C +ATOM 13408 CG PHE G 192 45.177 127.860 121.506 1.00 22.86 C +ATOM 13409 CD1 PHE G 192 45.510 126.525 121.461 1.00 26.66 C +ATOM 13410 CD2 PHE G 192 43.844 128.213 121.554 1.00 24.79 C +ATOM 13411 CE1 PHE G 192 44.514 125.546 121.479 1.00 28.51 C +ATOM 13412 CE2 PHE G 192 42.845 127.254 121.602 1.00 26.02 C +ATOM 13413 CZ PHE G 192 43.188 125.914 121.551 1.00 24.25 C +ATOM 13414 N ALA G 193 49.175 129.834 121.667 1.00 26.32 N +ATOM 13415 CA ALA G 193 50.168 130.836 121.242 1.00 27.21 C +ATOM 13416 C ALA G 193 49.644 131.647 120.066 1.00 28.16 C +ATOM 13417 O ALA G 193 50.276 132.624 119.662 1.00 29.35 O +ATOM 13418 CB ALA G 193 51.453 130.149 120.828 1.00 24.25 C +ATOM 13419 N ILE G 194 48.499 131.221 119.506 1.00 28.20 N +ATOM 13420 CA ILE G 194 47.843 131.884 118.360 1.00 25.43 C +ATOM 13421 C ILE G 194 46.690 132.680 118.931 1.00 26.44 C +ATOM 13422 O ILE G 194 45.682 132.109 119.302 1.00 26.85 O +ATOM 13423 CB ILE G 194 47.357 130.839 117.294 1.00 27.13 C +ATOM 13424 CG1 ILE G 194 48.550 129.985 116.796 1.00 24.97 C +ATOM 13425 CG2 ILE G 194 46.684 131.504 116.110 1.00 22.85 C +ATOM 13426 CD1 ILE G 194 48.155 128.852 115.864 1.00 24.52 C +ATOM 13427 N ALA G 195 46.872 134.005 119.019 1.00 25.96 N +ATOM 13428 CA ALA G 195 45.962 134.916 119.697 1.00 24.89 C +ATOM 13429 C ALA G 195 44.537 134.810 119.183 1.00 24.48 C +ATOM 13430 O ALA G 195 43.611 134.753 119.967 1.00 25.47 O +ATOM 13431 CB ALA G 195 46.486 136.378 119.571 1.00 25.71 C +ATOM 13432 N SER G 196 44.381 134.736 117.857 1.00 24.55 N +ATOM 13433 CA SER G 196 43.074 134.620 117.194 1.00 23.45 C +ATOM 13434 C SER G 196 42.301 133.415 117.655 1.00 23.65 C +ATOM 13435 O SER G 196 41.076 133.470 117.707 1.00 23.38 O +ATOM 13436 CB SER G 196 43.206 134.564 115.660 1.00 23.72 C +ATOM 13437 OG SER G 196 43.731 135.766 115.103 1.00 23.31 O +ATOM 13438 N LEU G 197 42.994 132.328 118.014 1.00 23.75 N +ATOM 13439 CA LEU G 197 42.301 131.160 118.567 1.00 24.17 C +ATOM 13440 C LEU G 197 41.837 131.399 120.001 1.00 25.26 C +ATOM 13441 O LEU G 197 40.755 130.938 120.374 1.00 25.74 O +ATOM 13442 CB LEU G 197 43.116 129.883 118.446 1.00 20.66 C +ATOM 13443 CG LEU G 197 43.615 129.458 117.070 1.00 23.12 C +ATOM 13444 CD1 LEU G 197 44.437 128.149 117.213 1.00 22.43 C +ATOM 13445 CD2 LEU G 197 42.484 129.264 116.107 1.00 17.56 C +ATOM 13446 N ASN G 198 42.619 132.137 120.806 1.00 26.87 N +ATOM 13447 CA ASN G 198 42.125 132.558 122.146 1.00 27.21 C +ATOM 13448 C ASN G 198 40.916 133.486 122.042 1.00 27.81 C +ATOM 13449 O ASN G 198 39.986 133.367 122.818 1.00 27.65 O +ATOM 13450 CB ASN G 198 43.248 133.150 122.994 1.00 28.10 C +ATOM 13451 CG ASN G 198 44.404 132.187 123.148 1.00 23.66 C +ATOM 13452 OD1 ASN G 198 44.200 131.004 123.430 1.00 26.86 O +ATOM 13453 ND2 ASN G 198 45.605 132.662 122.906 1.00 22.76 N +ATOM 13454 N GLU G 199 40.901 134.346 121.018 1.00 28.98 N +ATOM 13455 CA GLU G 199 39.790 135.268 120.752 1.00 30.87 C +ATOM 13456 C GLU G 199 38.606 134.572 120.095 1.00 30.09 C +ATOM 13457 O GLU G 199 37.554 135.185 119.918 1.00 29.63 O +ATOM 13458 CB GLU G 199 40.233 136.405 119.805 1.00 30.79 C +ATOM 13459 CG GLU G 199 41.408 137.281 120.303 1.00 37.80 C +ATOM 13460 CD GLU G 199 42.244 137.930 119.160 1.00 38.68 C +ATOM 13461 OE1 GLU G 199 41.720 138.118 118.038 1.00 49.56 O +ATOM 13462 OE2 GLU G 199 43.432 138.254 119.393 1.00 52.59 O +ATOM 13463 N LYS G 200 38.776 133.315 119.693 1.00 29.81 N +ATOM 13464 CA LYS G 200 37.689 132.506 119.131 1.00 30.05 C +ATOM 13465 C LYS G 200 37.215 132.982 117.754 1.00 27.62 C +ATOM 13466 O LYS G 200 36.054 132.857 117.404 1.00 27.83 O +ATOM 13467 CB LYS G 200 36.533 132.357 120.136 1.00 31.03 C +ATOM 13468 CG LYS G 200 36.991 131.588 121.393 1.00 37.72 C +ATOM 13469 CD LYS G 200 36.015 131.640 122.555 1.00 39.46 C +ATOM 13470 CE LYS G 200 36.713 131.209 123.870 1.00 48.84 C +ATOM 13471 NZ LYS G 200 37.501 129.927 123.760 1.00 54.83 N +ATOM 13472 N VAL G 201 38.155 133.521 116.985 1.00 25.26 N +ATOM 13473 CA VAL G 201 37.971 133.816 115.572 1.00 24.49 C +ATOM 13474 C VAL G 201 37.741 132.465 114.842 1.00 24.27 C +ATOM 13475 O VAL G 201 36.904 132.378 113.935 1.00 23.01 O +ATOM 13476 CB VAL G 201 39.226 134.516 114.975 1.00 23.49 C +ATOM 13477 CG1 VAL G 201 39.139 134.644 113.444 1.00 22.16 C +ATOM 13478 CG2 VAL G 201 39.443 135.903 115.633 1.00 24.30 C +ATOM 13479 N ALA G 202 38.501 131.443 115.271 1.00 22.77 N +ATOM 13480 CA ALA G 202 38.395 130.061 114.787 1.00 21.14 C +ATOM 13481 C ALA G 202 38.530 129.097 115.964 1.00 21.98 C +ATOM 13482 O ALA G 202 39.023 129.477 117.019 1.00 21.85 O +ATOM 13483 CB ALA G 202 39.466 129.780 113.757 1.00 20.19 C +ATOM 13484 N TRP G 203 38.072 127.858 115.772 1.00 22.34 N +ATOM 13485 CA TRP G 203 38.147 126.817 116.796 1.00 20.74 C +ATOM 13486 C TRP G 203 39.184 125.744 116.467 1.00 20.51 C +ATOM 13487 O TRP G 203 39.292 125.288 115.324 1.00 18.66 O +ATOM 13488 CB TRP G 203 36.789 126.165 116.990 1.00 21.59 C +ATOM 13489 CG TRP G 203 36.755 125.093 118.051 1.00 19.17 C +ATOM 13490 CD1 TRP G 203 36.448 125.243 119.379 1.00 22.74 C +ATOM 13491 CD2 TRP G 203 36.991 123.703 117.851 1.00 18.27 C +ATOM 13492 NE1 TRP G 203 36.490 124.003 120.026 1.00 19.70 N +ATOM 13493 CE2 TRP G 203 36.841 123.055 119.108 1.00 20.76 C +ATOM 13494 CE3 TRP G 203 37.340 122.933 116.733 1.00 22.11 C +ATOM 13495 CZ2 TRP G 203 37.011 121.675 119.261 1.00 26.14 C +ATOM 13496 CZ3 TRP G 203 37.504 121.567 116.895 1.00 21.73 C +ATOM 13497 CH2 TRP G 203 37.339 120.956 118.142 1.00 21.51 C +ATOM 13498 N VAL G 204 39.945 125.393 117.509 1.00 20.23 N +ATOM 13499 CA VAL G 204 40.890 124.274 117.556 1.00 20.54 C +ATOM 13500 C VAL G 204 40.711 123.636 118.933 1.00 21.51 C +ATOM 13501 O VAL G 204 40.426 124.332 119.899 1.00 21.51 O +ATOM 13502 CB VAL G 204 42.348 124.732 117.340 1.00 20.86 C +ATOM 13503 CG1 VAL G 204 43.390 123.611 117.717 1.00 21.90 C +ATOM 13504 CG2 VAL G 204 42.514 125.173 115.912 1.00 19.20 C +ATOM 13505 N PRO G 205 40.818 122.300 119.020 1.00 21.33 N +ATOM 13506 CA PRO G 205 40.710 121.707 120.339 1.00 22.62 C +ATOM 13507 C PRO G 205 41.916 122.010 121.243 1.00 23.15 C +ATOM 13508 O PRO G 205 43.066 122.043 120.784 1.00 22.97 O +ATOM 13509 CB PRO G 205 40.624 120.198 120.040 1.00 23.71 C +ATOM 13510 CG PRO G 205 41.255 120.019 118.749 1.00 21.92 C +ATOM 13511 CD PRO G 205 40.998 121.281 117.973 1.00 22.03 C +ATOM 13512 N ARG G 206 41.627 122.197 122.526 1.00 23.59 N +ATOM 13513 CA ARG G 206 42.662 122.312 123.520 1.00 25.20 C +ATOM 13514 C ARG G 206 43.447 121.017 123.539 1.00 22.91 C +ATOM 13515 O ARG G 206 42.843 119.943 123.520 1.00 21.59 O +ATOM 13516 CB ARG G 206 42.053 122.562 124.897 1.00 26.01 C +ATOM 13517 CG ARG G 206 43.071 122.730 126.030 1.00 31.85 C +ATOM 13518 CD ARG G 206 42.410 122.654 127.440 1.00 34.76 C +ATOM 13519 NE ARG G 206 41.122 123.373 127.576 1.00 42.12 N +ATOM 13520 CZ ARG G 206 40.981 124.691 127.797 1.00 49.06 C +ATOM 13521 NH1 ARG G 206 42.042 125.518 127.881 1.00 45.65 N +ATOM 13522 NH2 ARG G 206 39.747 125.193 127.937 1.00 47.93 N +ATOM 13523 N HIS G 207 44.788 121.139 123.588 1.00 22.93 N +ATOM 13524 CA HIS G 207 45.695 120.003 123.791 1.00 22.79 C +ATOM 13525 C HIS G 207 45.940 119.882 125.298 1.00 24.18 C +ATOM 13526 O HIS G 207 46.564 120.748 125.882 1.00 23.64 O +ATOM 13527 CB HIS G 207 47.006 120.197 123.029 1.00 21.71 C +ATOM 13528 CG HIS G 207 46.841 120.130 121.541 1.00 22.34 C +ATOM 13529 ND1 HIS G 207 47.816 119.635 120.697 1.00 27.19 N +ATOM 13530 CD2 HIS G 207 45.789 120.451 120.751 1.00 22.51 C +ATOM 13531 CE1 HIS G 207 47.378 119.688 119.452 1.00 25.22 C +ATOM 13532 NE2 HIS G 207 46.148 120.174 119.460 1.00 21.65 N +ATOM 13533 N TRP G 208 45.431 118.804 125.902 1.00 24.45 N +ATOM 13534 CA TRP G 208 45.419 118.629 127.364 1.00 24.35 C +ATOM 13535 C TRP G 208 46.832 118.518 127.906 1.00 25.67 C +ATOM 13536 O TRP G 208 47.149 119.064 128.991 1.00 25.80 O +ATOM 13537 CB TRP G 208 44.587 117.406 127.764 1.00 24.57 C +ATOM 13538 CG TRP G 208 43.368 117.718 128.582 1.00 24.30 C +ATOM 13539 CD1 TRP G 208 43.192 117.454 129.899 1.00 23.91 C +ATOM 13540 CD2 TRP G 208 42.167 118.360 128.133 1.00 24.90 C +ATOM 13541 NE1 TRP G 208 41.957 117.882 130.305 1.00 26.35 N +ATOM 13542 CE2 TRP G 208 41.309 118.451 129.244 1.00 24.99 C +ATOM 13543 CE3 TRP G 208 41.722 118.835 126.885 1.00 22.95 C +ATOM 13544 CZ2 TRP G 208 40.035 119.016 129.170 1.00 25.27 C +ATOM 13545 CZ3 TRP G 208 40.473 119.418 126.809 1.00 26.93 C +ATOM 13546 CH2 TRP G 208 39.634 119.496 127.948 1.00 29.45 C +ATOM 13547 N ASP G 209 47.686 117.837 127.140 1.00 26.03 N +ATOM 13548 CA ASP G 209 49.113 117.712 127.469 1.00 28.07 C +ATOM 13549 C ASP G 209 49.827 119.068 127.568 1.00 29.32 C +ATOM 13550 O ASP G 209 50.654 119.251 128.453 1.00 30.23 O +ATOM 13551 CB ASP G 209 49.839 116.721 126.523 1.00 28.59 C +ATOM 13552 CG ASP G 209 49.857 117.165 125.062 1.00 31.47 C +ATOM 13553 OD1 ASP G 209 48.801 117.557 124.526 1.00 32.93 O +ATOM 13554 OD2 ASP G 209 50.934 117.081 124.430 1.00 36.87 O +ATOM 13555 N LYS G 210 49.463 120.027 126.726 1.00 29.62 N +ATOM 13556 CA LYS G 210 50.073 121.360 126.726 1.00 29.89 C +ATOM 13557 C LYS G 210 49.301 122.377 127.566 1.00 29.85 C +ATOM 13558 O LYS G 210 49.869 123.352 128.057 1.00 31.38 O +ATOM 13559 CB LYS G 210 50.172 121.893 125.291 1.00 31.13 C +ATOM 13560 CG LYS G 210 50.834 120.943 124.275 1.00 32.73 C +ATOM 13561 CD LYS G 210 52.335 121.064 124.239 1.00 39.96 C +ATOM 13562 CE LYS G 210 52.910 120.281 123.044 1.00 45.53 C +ATOM 13563 NZ LYS G 210 54.412 120.089 123.127 1.00 51.19 N +ATOM 13564 N ALA G 211 48.009 122.156 127.738 1.00 28.95 N +ATOM 13565 CA ALA G 211 47.144 123.135 128.400 1.00 29.12 C +ATOM 13566 C ALA G 211 46.887 122.898 129.879 1.00 30.28 C +ATOM 13567 O ALA G 211 46.486 123.827 130.554 1.00 32.15 O +ATOM 13568 CB ALA G 211 45.784 123.216 127.708 1.00 29.71 C +ATOM 13569 N THR G 212 47.038 121.683 130.390 1.00 30.29 N +ATOM 13570 CA ATHR G 212 46.651 121.357 131.769 0.50 31.05 C +ATOM 13571 CA BTHR G 212 46.731 121.484 131.802 0.50 30.30 C +ATOM 13572 C THR G 212 47.777 120.611 132.480 1.00 32.24 C +ATOM 13573 O THR G 212 48.573 119.967 131.836 1.00 35.31 O +ATOM 13574 CB ATHR G 212 45.425 120.421 131.809 0.50 29.56 C +ATOM 13575 CB BTHR G 212 45.258 121.010 132.029 0.50 28.58 C +ATOM 13576 OG1ATHR G 212 45.850 119.097 131.482 0.50 30.03 O +ATOM 13577 OG1BTHR G 212 44.971 120.955 133.434 0.50 23.70 O +ATOM 13578 CG2ATHR G 212 44.337 120.861 130.843 0.50 25.38 C +ATOM 13579 CG2BTHR G 212 45.004 119.670 131.397 0.50 23.86 C +ATOM 13580 N VAL G 213 47.793 120.656 133.805 1.00 32.84 N +ATOM 13581 CA VAL G 213 48.807 119.971 134.606 1.00 33.43 C +ATOM 13582 C VAL G 213 48.234 118.698 135.212 1.00 31.49 C +ATOM 13583 O VAL G 213 48.861 117.648 135.188 1.00 31.77 O +ATOM 13584 CB VAL G 213 49.265 120.855 135.793 1.00 36.40 C +ATOM 13585 CG1 VAL G 213 50.539 120.279 136.405 1.00 38.61 C +ATOM 13586 CG2 VAL G 213 49.424 122.365 135.369 1.00 38.27 C +ATOM 13587 N ASP G 214 47.030 118.828 135.757 1.00 29.20 N +ATOM 13588 CA ASP G 214 46.407 117.772 136.545 1.00 29.10 C +ATOM 13589 C ASP G 214 45.162 117.204 135.860 1.00 27.56 C +ATOM 13590 O ASP G 214 44.450 116.361 136.441 1.00 26.03 O +ATOM 13591 CB ASP G 214 46.087 118.302 137.957 1.00 30.51 C +ATOM 13592 CG ASP G 214 45.204 119.573 137.952 1.00 34.00 C +ATOM 13593 OD1 ASP G 214 44.302 119.674 137.098 1.00 30.68 O +ATOM 13594 OD2 ASP G 214 45.414 120.461 138.817 1.00 32.19 O +ATOM 13595 N SER G 215 44.920 117.686 134.634 1.00 26.10 N +ATOM 13596 CA SER G 215 43.798 117.316 133.765 1.00 25.55 C +ATOM 13597 C SER G 215 42.506 118.145 133.986 1.00 25.50 C +ATOM 13598 O SER G 215 41.602 118.079 133.172 1.00 26.71 O +ATOM 13599 CB SER G 215 43.518 115.808 133.767 1.00 24.47 C +ATOM 13600 OG SER G 215 42.622 115.431 134.795 1.00 27.05 O +ATOM 13601 N GLY G 216 42.452 118.960 135.041 1.00 24.17 N +ATOM 13602 CA GLY G 216 41.361 119.893 135.254 1.00 22.76 C +ATOM 13603 C GLY G 216 41.540 121.185 134.484 1.00 22.66 C +ATOM 13604 O GLY G 216 42.654 121.540 134.096 1.00 22.42 O +ATOM 13605 N VAL G 217 40.434 121.873 134.222 1.00 23.32 N +ATOM 13606 CA VAL G 217 40.491 123.228 133.664 1.00 24.10 C +ATOM 13607 C VAL G 217 39.587 124.131 134.504 1.00 24.69 C +ATOM 13608 O VAL G 217 38.376 124.216 134.293 1.00 24.36 O +ATOM 13609 CB VAL G 217 40.093 123.301 132.179 1.00 26.54 C +ATOM 13610 CG1 VAL G 217 40.182 124.749 131.680 1.00 25.01 C +ATOM 13611 CG2 VAL G 217 40.958 122.408 131.332 1.00 23.72 C +ATOM 13612 N GLY G 218 40.194 124.778 135.490 1.00 25.35 N +ATOM 13613 CA GLY G 218 39.483 125.596 136.455 1.00 25.64 C +ATOM 13614 C GLY G 218 39.734 125.081 137.855 1.00 26.50 C +ATOM 13615 O GLY G 218 39.761 123.865 138.086 1.00 26.37 O +ATOM 13616 N ASN G 219 39.879 126.019 138.789 1.00 27.11 N +ATOM 13617 CA ASN G 219 40.126 125.721 140.187 1.00 26.51 C +ATOM 13618 C ASN G 219 38.860 125.309 140.937 1.00 24.33 C +ATOM 13619 O ASN G 219 37.903 126.096 141.057 1.00 25.05 O +ATOM 13620 CB ASN G 219 40.755 126.932 140.867 1.00 29.10 C +ATOM 13621 CG ASN G 219 41.371 126.590 142.203 1.00 30.55 C +ATOM 13622 OD1 ASN G 219 40.832 125.793 142.978 1.00 27.84 O +ATOM 13623 ND2 ASN G 219 42.509 127.192 142.475 1.00 24.83 N +ATOM 13624 N PRO G 220 38.840 124.057 141.426 1.00 23.54 N +ATOM 13625 CA PRO G 220 37.643 123.498 142.051 1.00 25.04 C +ATOM 13626 C PRO G 220 37.489 123.767 143.553 1.00 26.14 C +ATOM 13627 O PRO G 220 36.449 123.387 144.136 1.00 24.85 O +ATOM 13628 CB PRO G 220 37.823 121.996 141.798 1.00 25.43 C +ATOM 13629 CG PRO G 220 39.280 121.785 141.818 1.00 23.42 C +ATOM 13630 CD PRO G 220 39.931 123.061 141.373 1.00 22.85 C +ATOM 13631 N LYS G 221 38.462 124.454 144.167 1.00 27.50 N +ATOM 13632 CA LYS G 221 38.601 124.393 145.636 1.00 29.77 C +ATOM 13633 C LYS G 221 37.529 125.102 146.487 1.00 27.30 C +ATOM 13634 O LYS G 221 37.380 124.773 147.673 1.00 27.60 O +ATOM 13635 CB LYS G 221 40.026 124.764 146.049 1.00 32.66 C +ATOM 13636 CG LYS G 221 41.024 123.663 145.602 1.00 35.54 C +ATOM 13637 CD LYS G 221 42.506 124.045 145.779 1.00 37.91 C +ATOM 13638 CE LYS G 221 43.428 123.089 145.012 1.00 40.12 C +ATOM 13639 NZ LYS G 221 44.857 123.121 145.478 1.00 36.77 N +ATOM 13640 N LYS G 222 36.741 125.997 145.879 1.00 27.14 N +ATOM 13641 CA LYS G 222 35.627 126.649 146.563 1.00 26.64 C +ATOM 13642 C LYS G 222 34.317 125.917 146.347 1.00 25.52 C +ATOM 13643 O LYS G 222 33.267 126.440 146.683 1.00 25.30 O +ATOM 13644 CB LYS G 222 35.500 128.098 146.134 1.00 30.23 C +ATOM 13645 CG LYS G 222 36.807 128.889 146.298 1.00 34.22 C +ATOM 13646 CD LYS G 222 36.531 130.363 146.488 1.00 44.94 C +ATOM 13647 CE LYS G 222 37.757 131.267 146.232 1.00 47.97 C +ATOM 13648 NZ LYS G 222 37.318 132.523 145.511 1.00 50.65 N +ATOM 13649 N ALA G 223 34.388 124.697 145.810 1.00 24.65 N +ATOM 13650 CA ALA G 223 33.220 123.853 145.619 1.00 22.99 C +ATOM 13651 C ALA G 223 32.650 123.424 146.951 1.00 22.92 C +ATOM 13652 O ALA G 223 33.391 123.069 147.859 1.00 22.79 O +ATOM 13653 CB ALA G 223 33.587 122.610 144.779 1.00 22.47 C +ATOM 13654 N THR G 224 31.322 123.443 147.048 1.00 22.50 N +ATOM 13655 CA THR G 224 30.588 122.827 148.151 1.00 22.38 C +ATOM 13656 C THR G 224 29.358 122.028 147.663 1.00 21.84 C +ATOM 13657 O THR G 224 28.811 122.266 146.609 1.00 21.75 O +ATOM 13658 CB THR G 224 30.079 123.912 149.141 1.00 24.36 C +ATOM 13659 OG1 THR G 224 28.976 124.618 148.544 1.00 23.93 O +ATOM 13660 CG2 THR G 224 31.197 124.895 149.507 1.00 23.50 C +ATOM 13661 N ALA G 225 28.886 121.107 148.482 1.00 22.05 N +ATOM 13662 CA ALA G 225 27.651 120.397 148.215 1.00 21.46 C +ATOM 13663 C ALA G 225 26.488 121.371 148.107 1.00 24.15 C +ATOM 13664 O ALA G 225 25.596 121.217 147.265 1.00 24.02 O +ATOM 13665 CB ALA G 225 27.381 119.388 149.333 1.00 21.14 C +ATOM 13666 N GLU G 226 26.491 122.378 148.977 1.00 26.24 N +ATOM 13667 CA GLU G 226 25.409 123.341 149.034 1.00 28.91 C +ATOM 13668 C GLU G 226 25.268 124.135 147.722 1.00 24.06 C +ATOM 13669 O GLU G 226 24.159 124.321 147.220 1.00 23.67 O +ATOM 13670 CB GLU G 226 25.605 124.270 150.255 1.00 27.24 C +ATOM 13671 CG GLU G 226 24.350 125.069 150.585 1.00 42.20 C +ATOM 13672 CD GLU G 226 24.567 126.159 151.640 1.00 40.09 C +ATOM 13673 OE1 GLU G 226 25.258 125.887 152.668 1.00 53.34 O +ATOM 13674 OE2 GLU G 226 24.020 127.279 151.435 1.00 61.97 O +ATOM 13675 N LYS G 227 26.386 124.611 147.189 1.00 23.12 N +ATOM 13676 CA LYS G 227 26.424 125.248 145.869 1.00 23.80 C +ATOM 13677 C LYS G 227 25.876 124.359 144.755 1.00 23.48 C +ATOM 13678 O LYS G 227 25.148 124.824 143.864 1.00 24.15 O +ATOM 13679 CB LYS G 227 27.864 125.657 145.508 1.00 24.85 C +ATOM 13680 CG LYS G 227 28.410 126.862 146.271 1.00 22.58 C +ATOM 13681 CD LYS G 227 29.707 127.275 145.719 1.00 28.42 C +ATOM 13682 CE LYS G 227 30.363 128.396 146.512 1.00 29.60 C +ATOM 13683 NZ LYS G 227 31.773 128.605 146.078 1.00 26.11 N +ATOM 13684 N GLY G 228 26.210 123.072 144.792 1.00 23.67 N +ATOM 13685 CA GLY G 228 25.713 122.118 143.795 1.00 22.89 C +ATOM 13686 C GLY G 228 24.223 121.894 143.857 1.00 23.83 C +ATOM 13687 O GLY G 228 23.546 121.813 142.804 1.00 23.82 O +ATOM 13688 N GLU G 229 23.704 121.769 145.081 1.00 24.65 N +ATOM 13689 CA GLU G 229 22.254 121.599 145.311 1.00 26.93 C +ATOM 13690 C GLU G 229 21.455 122.789 144.772 1.00 25.45 C +ATOM 13691 O GLU G 229 20.420 122.633 144.133 1.00 24.80 O +ATOM 13692 CB GLU G 229 21.979 121.402 146.824 1.00 28.20 C +ATOM 13693 CG GLU G 229 20.492 121.292 147.250 1.00 29.48 C +ATOM 13694 CD GLU G 229 20.326 121.169 148.786 1.00 36.54 C +ATOM 13695 OE1 GLU G 229 20.925 121.999 149.529 1.00 45.28 O +ATOM 13696 OE2 GLU G 229 19.584 120.267 149.239 1.00 47.04 O +ATOM 13697 N ARG G 230 21.972 123.977 145.014 1.00 25.09 N +ATOM 13698 CA ARG G 230 21.294 125.198 144.603 1.00 25.12 C +ATOM 13699 C ARG G 230 21.252 125.306 143.083 1.00 24.79 C +ATOM 13700 O ARG G 230 20.220 125.652 142.516 1.00 25.00 O +ATOM 13701 CB ARG G 230 22.026 126.415 145.214 1.00 23.38 C +ATOM 13702 CG ARG G 230 21.303 127.701 145.023 1.00 26.35 C +ATOM 13703 CD ARG G 230 21.791 128.765 145.984 1.00 32.92 C +ATOM 13704 NE ARG G 230 22.749 129.676 145.365 1.00 39.39 N +ATOM 13705 CZ ARG G 230 22.433 130.752 144.630 1.00 47.63 C +ATOM 13706 NH1 ARG G 230 21.157 131.075 144.364 1.00 48.94 N +ATOM 13707 NH2 ARG G 230 23.410 131.517 144.152 1.00 48.79 N +ATOM 13708 N TYR G 231 22.385 125.012 142.442 1.00 22.94 N +ATOM 13709 CA TYR G 231 22.495 125.084 140.987 1.00 22.82 C +ATOM 13710 C TYR G 231 21.579 124.088 140.255 1.00 22.42 C +ATOM 13711 O TYR G 231 20.844 124.462 139.353 1.00 24.85 O +ATOM 13712 CB TYR G 231 23.944 124.847 140.585 1.00 22.45 C +ATOM 13713 CG TYR G 231 24.275 125.080 139.119 1.00 24.16 C +ATOM 13714 CD1 TYR G 231 23.979 126.288 138.490 1.00 23.66 C +ATOM 13715 CD2 TYR G 231 24.945 124.102 138.377 1.00 21.81 C +ATOM 13716 CE1 TYR G 231 24.322 126.492 137.193 1.00 23.38 C +ATOM 13717 CE2 TYR G 231 25.299 124.313 137.066 1.00 22.02 C +ATOM 13718 CZ TYR G 231 24.983 125.490 136.477 1.00 20.94 C +ATOM 13719 OH TYR G 231 25.336 125.681 135.179 1.00 21.83 O +ATOM 13720 N VAL G 232 21.588 122.823 140.662 1.00 22.68 N +ATOM 13721 CA VAL G 232 20.746 121.829 139.995 1.00 22.12 C +ATOM 13722 C VAL G 232 19.242 122.025 140.186 1.00 23.38 C +ATOM 13723 O VAL G 232 18.464 121.616 139.331 1.00 23.48 O +ATOM 13724 CB VAL G 232 21.136 120.370 140.345 1.00 23.55 C +ATOM 13725 CG1 VAL G 232 22.644 120.180 140.158 1.00 23.04 C +ATOM 13726 CG2 VAL G 232 20.675 119.975 141.729 1.00 19.53 C +ATOM 13727 N LYS G 233 18.806 122.683 141.253 1.00 23.46 N +ATOM 13728 CA LYS G 233 17.361 122.899 141.429 1.00 25.46 C +ATOM 13729 C LYS G 233 16.663 123.506 140.165 1.00 22.81 C +ATOM 13730 O LYS G 233 15.695 122.912 139.630 1.00 23.61 O +ATOM 13731 CB LYS G 233 17.103 123.749 142.685 1.00 27.50 C +ATOM 13732 CG LYS G 233 15.628 123.946 143.008 1.00 31.46 C +ATOM 13733 CD LYS G 233 15.456 124.746 144.309 1.00 34.10 C +ATOM 13734 CE LYS G 233 14.099 124.441 144.983 1.00 51.64 C +ATOM 13735 NZ LYS G 233 12.900 124.690 144.110 1.00 46.41 N +ATOM 13736 N PRO G 234 17.133 124.684 139.684 1.00 21.79 N +ATOM 13737 CA PRO G 234 16.579 125.263 138.439 1.00 22.29 C +ATOM 13738 C PRO G 234 16.848 124.460 137.112 1.00 21.18 C +ATOM 13739 O PRO G 234 16.019 124.492 136.187 1.00 21.01 O +ATOM 13740 CB PRO G 234 17.234 126.661 138.398 1.00 21.23 C +ATOM 13741 CG PRO G 234 18.469 126.518 139.118 1.00 17.83 C +ATOM 13742 CD PRO G 234 18.150 125.584 140.252 1.00 22.74 C +ATOM 13743 N ILE G 235 17.982 123.759 137.046 1.00 21.64 N +ATOM 13744 CA ILE G 235 18.303 122.834 135.936 1.00 20.63 C +ATOM 13745 C ILE G 235 17.244 121.737 135.841 1.00 20.67 C +ATOM 13746 O ILE G 235 16.618 121.551 134.811 1.00 22.52 O +ATOM 13747 CB ILE G 235 19.722 122.219 136.083 1.00 22.60 C +ATOM 13748 CG1 ILE G 235 20.790 123.324 136.045 1.00 17.98 C +ATOM 13749 CG2 ILE G 235 20.006 121.197 134.943 1.00 19.11 C +ATOM 13750 CD1 ILE G 235 22.199 122.841 136.374 1.00 18.56 C +ATOM 13751 N VAL G 236 16.985 121.090 136.965 1.00 20.68 N +ATOM 13752 CA VAL G 236 15.956 120.048 137.096 1.00 20.05 C +ATOM 13753 C VAL G 236 14.551 120.572 136.719 1.00 21.95 C +ATOM 13754 O VAL G 236 13.803 119.958 135.911 1.00 22.05 O +ATOM 13755 CB VAL G 236 16.042 119.453 138.550 1.00 21.16 C +ATOM 13756 CG1 VAL G 236 14.831 118.612 138.959 1.00 17.21 C +ATOM 13757 CG2 VAL G 236 17.330 118.641 138.699 1.00 18.34 C +ATOM 13758 N GLU G 237 14.199 121.725 137.274 1.00 23.02 N +ATOM 13759 CA GLU G 237 12.914 122.344 136.969 1.00 23.36 C +ATOM 13760 C GLU G 237 12.757 122.651 135.462 1.00 21.88 C +ATOM 13761 O GLU G 237 11.707 122.322 134.862 1.00 22.24 O +ATOM 13762 CB GLU G 237 12.729 123.616 137.805 1.00 24.66 C +ATOM 13763 CG GLU G 237 11.291 124.069 137.878 1.00 33.13 C +ATOM 13764 CD GLU G 237 10.803 124.761 136.608 1.00 39.23 C +ATOM 13765 OE1 GLU G 237 11.628 125.459 135.933 1.00 39.68 O +ATOM 13766 OE2 GLU G 237 9.581 124.606 136.306 1.00 38.62 O +ATOM 13767 N LYS G 238 13.776 123.260 134.851 1.00 22.09 N +ATOM 13768 CA LYS G 238 13.726 123.563 133.414 1.00 23.16 C +ATOM 13769 C LYS G 238 13.640 122.304 132.537 1.00 22.18 C +ATOM 13770 O LYS G 238 12.964 122.289 131.487 1.00 22.60 O +ATOM 13771 CB LYS G 238 14.943 124.387 132.963 1.00 22.61 C +ATOM 13772 CG LYS G 238 14.837 125.849 133.180 1.00 27.27 C +ATOM 13773 CD LYS G 238 15.875 126.606 132.371 1.00 37.34 C +ATOM 13774 CE LYS G 238 15.991 128.082 132.771 1.00 44.79 C +ATOM 13775 NZ LYS G 238 14.684 128.757 132.605 1.00 46.48 N +ATOM 13776 N LEU G 239 14.373 121.275 132.924 1.00 22.23 N +ATOM 13777 CA LEU G 239 14.362 120.026 132.183 1.00 21.24 C +ATOM 13778 C LEU G 239 13.043 119.306 132.343 1.00 20.92 C +ATOM 13779 O LEU G 239 12.561 118.707 131.398 1.00 20.83 O +ATOM 13780 CB LEU G 239 15.526 119.136 132.619 1.00 20.84 C +ATOM 13781 CG LEU G 239 16.884 119.516 132.068 1.00 19.94 C +ATOM 13782 CD1 LEU G 239 17.971 118.638 132.695 1.00 20.00 C +ATOM 13783 CD2 LEU G 239 16.869 119.407 130.548 1.00 19.33 C +ATOM 13784 N ALA G 240 12.472 119.337 133.544 1.00 21.38 N +ATOM 13785 CA ALA G 240 11.135 118.775 133.786 1.00 20.79 C +ATOM 13786 C ALA G 240 10.080 119.432 132.900 1.00 20.58 C +ATOM 13787 O ALA G 240 9.242 118.749 132.329 1.00 23.13 O +ATOM 13788 CB ALA G 240 10.747 118.875 135.314 1.00 21.13 C +ATOM 13789 N GLY G 241 10.134 120.754 132.773 1.00 20.88 N +ATOM 13790 CA GLY G 241 9.241 121.478 131.879 1.00 21.24 C +ATOM 13791 C GLY G 241 9.403 121.053 130.430 1.00 21.91 C +ATOM 13792 O GLY G 241 8.409 120.837 129.742 1.00 22.26 O +ATOM 13793 N LEU G 242 10.653 120.911 129.973 1.00 21.23 N +ATOM 13794 CA LEU G 242 10.941 120.386 128.647 1.00 20.82 C +ATOM 13795 C LEU G 242 10.375 119.003 128.437 1.00 21.80 C +ATOM 13796 O LEU G 242 9.774 118.759 127.404 1.00 21.58 O +ATOM 13797 CB LEU G 242 12.458 120.394 128.361 1.00 22.55 C +ATOM 13798 CG LEU G 242 12.919 119.658 127.084 1.00 21.70 C +ATOM 13799 CD1 LEU G 242 12.531 120.447 125.837 1.00 19.86 C +ATOM 13800 CD2 LEU G 242 14.416 119.404 127.146 1.00 18.25 C +ATOM 13801 N PHE G 243 10.539 118.096 129.408 1.00 22.68 N +ATOM 13802 CA PHE G 243 9.962 116.745 129.275 1.00 23.18 C +ATOM 13803 C PHE G 243 8.442 116.790 129.126 1.00 24.12 C +ATOM 13804 O PHE G 243 7.879 116.065 128.305 1.00 24.85 O +ATOM 13805 CB PHE G 243 10.270 115.832 130.473 1.00 24.31 C +ATOM 13806 CG PHE G 243 11.752 115.612 130.778 1.00 21.51 C +ATOM 13807 CD1 PHE G 243 12.762 116.013 129.908 1.00 27.91 C +ATOM 13808 CD2 PHE G 243 12.110 114.969 131.963 1.00 23.20 C +ATOM 13809 CE1 PHE G 243 14.110 115.803 130.233 1.00 25.03 C +ATOM 13810 CE2 PHE G 243 13.443 114.741 132.284 1.00 23.14 C +ATOM 13811 CZ PHE G 243 14.449 115.170 131.415 1.00 23.15 C +ATOM 13812 N GLU G 244 7.787 117.613 129.955 1.00 24.11 N +ATOM 13813 CA GLU G 244 6.345 117.836 129.873 1.00 24.51 C +ATOM 13814 C GLU G 244 5.913 118.368 128.517 1.00 24.23 C +ATOM 13815 O GLU G 244 5.021 117.808 127.899 1.00 25.43 O +ATOM 13816 CB GLU G 244 5.899 118.810 130.965 1.00 25.50 C +ATOM 13817 CG GLU G 244 5.920 118.170 132.315 1.00 29.87 C +ATOM 13818 CD GLU G 244 5.921 119.142 133.487 1.00 32.35 C +ATOM 13819 OE1 GLU G 244 6.051 120.356 133.285 1.00 34.11 O +ATOM 13820 OE2 GLU G 244 5.799 118.667 134.636 1.00 36.68 O +ATOM 13821 N GLU G 245 6.564 119.435 128.047 1.00 24.93 N +ATOM 13822 CA GLU G 245 6.217 120.045 126.746 1.00 25.41 C +ATOM 13823 C GLU G 245 6.441 119.031 125.611 1.00 26.13 C +ATOM 13824 O GLU G 245 5.624 118.905 124.706 1.00 27.13 O +ATOM 13825 CB GLU G 245 7.025 121.329 126.530 1.00 25.45 C +ATOM 13826 CG GLU G 245 6.596 122.472 127.467 1.00 27.77 C +ATOM 13827 CD GLU G 245 7.651 123.585 127.653 1.00 29.13 C +ATOM 13828 OE1 GLU G 245 8.711 123.568 126.984 1.00 30.03 O +ATOM 13829 OE2 GLU G 245 7.404 124.496 128.480 1.00 32.32 O +HETATM13830 N MSE G 246 7.538 118.278 125.684 1.00 26.15 N +HETATM13831 CA MSE G 246 7.836 117.245 124.687 1.00 26.34 C +HETATM13832 C MSE G 246 6.773 116.151 124.641 1.00 28.37 C +HETATM13833 O MSE G 246 6.391 115.691 123.570 1.00 29.03 O +HETATM13834 CB MSE G 246 9.218 116.623 124.949 1.00 27.72 C +HETATM13835 CG MSE G 246 10.376 117.452 124.427 1.00 26.87 C +HETATM13836 SE MSE G 246 12.127 116.640 124.822 0.75 24.45 SE +HETATM13837 CE MSE G 246 12.178 115.249 123.293 1.00 21.51 C +ATOM 13838 N ALA G 247 6.288 115.745 125.804 1.00 29.80 N +ATOM 13839 CA ALA G 247 5.222 114.752 125.887 1.00 30.67 C +ATOM 13840 C ALA G 247 3.855 115.284 125.428 1.00 30.80 C +ATOM 13841 O ALA G 247 3.034 114.513 124.927 1.00 31.57 O +ATOM 13842 CB ALA G 247 5.133 114.177 127.336 1.00 29.71 C +ATOM 13843 N GLN G 248 3.608 116.580 125.601 1.00 30.71 N +ATOM 13844 CA GLN G 248 2.251 117.143 125.449 1.00 33.61 C +ATOM 13845 C GLN G 248 2.026 117.886 124.127 1.00 33.68 C +ATOM 13846 O GLN G 248 0.898 118.229 123.792 1.00 34.50 O +ATOM 13847 CB GLN G 248 1.907 118.037 126.662 1.00 34.69 C +ATOM 13848 CG GLN G 248 1.462 117.224 127.908 1.00 37.44 C +ATOM 13849 CD GLN G 248 1.549 118.006 129.229 1.00 37.31 C +ATOM 13850 OE1 GLN G 248 2.009 119.145 129.270 1.00 43.86 O +ATOM 13851 NE2 GLN G 248 1.131 117.364 130.319 1.00 41.12 N +ATOM 13852 N HIS G 249 3.093 118.127 123.381 1.00 33.21 N +ATOM 13853 CA HIS G 249 2.977 118.808 122.109 1.00 33.09 C +ATOM 13854 C HIS G 249 3.683 118.087 120.981 1.00 32.65 C +ATOM 13855 O HIS G 249 4.633 117.327 121.192 1.00 33.30 O +ATOM 13856 CB HIS G 249 3.595 120.189 122.203 1.00 34.93 C +ATOM 13857 CG HIS G 249 2.866 121.114 123.118 1.00 35.34 C +ATOM 13858 ND1 HIS G 249 1.892 121.978 122.669 1.00 38.08 N +ATOM 13859 CD2 HIS G 249 2.985 121.329 124.452 1.00 39.31 C +ATOM 13860 CE1 HIS G 249 1.440 122.687 123.690 1.00 44.63 C +ATOM 13861 NE2 HIS G 249 2.094 122.320 124.781 1.00 41.61 N +ATOM 13862 N ASP G 250 3.206 118.342 119.763 1.00 32.47 N +ATOM 13863 CA ASP G 250 3.977 118.016 118.576 1.00 31.61 C +ATOM 13864 C ASP G 250 4.995 119.133 118.420 1.00 28.60 C +ATOM 13865 O ASP G 250 4.780 120.242 118.936 1.00 27.91 O +ATOM 13866 CB ASP G 250 3.071 117.890 117.332 1.00 34.00 C +ATOM 13867 CG ASP G 250 2.080 116.715 117.434 1.00 40.57 C +ATOM 13868 OD1 ASP G 250 2.457 115.618 117.934 1.00 44.76 O +ATOM 13869 OD2 ASP G 250 0.912 116.895 117.009 1.00 51.64 O +ATOM 13870 N LEU G 251 6.101 118.845 117.728 1.00 26.35 N +ATOM 13871 CA LEU G 251 7.171 119.842 117.520 1.00 26.28 C +ATOM 13872 C LEU G 251 6.630 121.176 116.946 1.00 26.08 C +ATOM 13873 O LEU G 251 7.012 122.247 117.402 1.00 24.62 O +ATOM 13874 CB LEU G 251 8.272 119.251 116.600 1.00 26.98 C +ATOM 13875 CG LEU G 251 9.526 120.074 116.332 1.00 26.93 C +ATOM 13876 CD1 LEU G 251 10.315 120.351 117.614 1.00 23.10 C +ATOM 13877 CD2 LEU G 251 10.370 119.353 115.298 1.00 23.51 C +ATOM 13878 N TYR G 252 5.766 121.083 115.930 1.00 27.06 N +ATOM 13879 CA TYR G 252 5.083 122.242 115.347 1.00 28.65 C +ATOM 13880 C TYR G 252 3.602 121.943 115.395 1.00 31.84 C +ATOM 13881 O TYR G 252 3.182 120.789 115.241 1.00 32.11 O +ATOM 13882 CB TYR G 252 5.485 122.467 113.892 1.00 27.06 C +ATOM 13883 CG TYR G 252 6.899 122.929 113.696 1.00 25.95 C +ATOM 13884 CD1 TYR G 252 7.213 124.298 113.644 1.00 24.59 C +ATOM 13885 CD2 TYR G 252 7.928 122.015 113.548 1.00 24.33 C +ATOM 13886 CE1 TYR G 252 8.513 124.720 113.458 1.00 26.82 C +ATOM 13887 CE2 TYR G 252 9.231 122.444 113.379 1.00 23.40 C +ATOM 13888 CZ TYR G 252 9.516 123.780 113.328 1.00 22.74 C +ATOM 13889 OH TYR G 252 10.806 124.188 113.132 1.00 27.33 O +ATOM 13890 N GLU G 253 2.788 122.956 115.628 1.00 36.85 N +ATOM 13891 CA GLU G 253 1.343 122.721 115.635 1.00 42.62 C +ATOM 13892 C GLU G 253 0.688 123.879 114.885 1.00 44.52 C +ATOM 13893 O GLU G 253 1.302 124.955 114.698 1.00 46.12 O +ATOM 13894 CB GLU G 253 0.826 122.588 117.077 1.00 43.49 C +ATOM 13895 CG GLU G 253 1.338 121.363 117.849 1.00 45.37 C +ATOM 13896 CD GLU G 253 0.879 121.336 119.314 1.00 44.26 C +ATOM 13897 OE1 GLU G 253 0.877 122.405 119.963 1.00 50.66 O +ATOM 13898 OE2 GLU G 253 0.523 120.245 119.812 1.00 48.06 O +ATOM 13899 OXT GLU G 253 -0.439 123.735 114.409 1.00 46.72 O +TER 13900 GLU G 253 +HETATM13901 N MSE H 1 33.543 99.798 148.150 1.00 39.14 N +HETATM13902 CA MSE H 1 34.068 100.754 147.118 1.00 40.05 C +HETATM13903 C MSE H 1 35.592 100.666 147.034 1.00 37.37 C +HETATM13904 O MSE H 1 36.275 100.864 148.026 1.00 37.61 O +HETATM13905 CB MSE H 1 33.670 102.195 147.452 1.00 39.56 C +HETATM13906 CG MSE H 1 34.225 103.261 146.502 1.00 41.23 C +HETATM13907 SE MSE H 1 33.731 105.119 147.001 0.75 45.73 SE +HETATM13908 CE MSE H 1 31.827 104.869 147.009 1.00 42.59 C +ATOM 13909 N ASN H 2 36.114 100.389 145.837 1.00 33.74 N +ATOM 13910 CA ASN H 2 37.558 100.227 145.637 1.00 31.00 C +ATOM 13911 C ASN H 2 38.066 101.009 144.415 1.00 29.96 C +ATOM 13912 O ASN H 2 37.985 100.523 143.273 1.00 27.90 O +ATOM 13913 CB ASN H 2 37.870 98.749 145.502 1.00 29.73 C +ATOM 13914 CG ASN H 2 39.347 98.447 145.571 1.00 27.68 C +ATOM 13915 OD1 ASN H 2 40.205 99.310 145.339 1.00 27.72 O +ATOM 13916 ND2 ASN H 2 39.652 97.198 145.859 1.00 24.08 N +ATOM 13917 N LYS H 3 38.621 102.195 144.669 1.00 28.62 N +ATOM 13918 CA LYS H 3 39.125 103.062 143.615 1.00 29.91 C +ATOM 13919 C LYS H 3 40.406 102.545 142.956 1.00 28.55 C +ATOM 13920 O LYS H 3 40.801 103.029 141.902 1.00 27.88 O +ATOM 13921 CB LYS H 3 39.409 104.459 144.168 1.00 31.76 C +ATOM 13922 CG LYS H 3 38.206 105.199 144.758 1.00 34.03 C +ATOM 13923 CD LYS H 3 38.592 106.702 144.924 1.00 33.06 C +ATOM 13924 CE LYS H 3 37.481 107.558 145.517 1.00 37.65 C +ATOM 13925 NZ LYS H 3 37.823 109.028 145.395 1.00 33.44 N +ATOM 13926 N GLU H 4 41.059 101.571 143.570 1.00 27.87 N +ATOM 13927 CA GLU H 4 42.295 101.035 143.034 1.00 27.63 C +ATOM 13928 C GLU H 4 42.070 100.121 141.814 1.00 23.96 C +ATOM 13929 O GLU H 4 42.951 100.025 140.953 1.00 24.55 O +ATOM 13930 CB GLU H 4 43.040 100.269 144.125 1.00 28.18 C +ATOM 13931 CG GLU H 4 44.436 99.805 143.707 1.00 31.93 C +ATOM 13932 CD GLU H 4 45.341 99.333 144.873 1.00 32.54 C +ATOM 13933 OE1 GLU H 4 44.857 99.018 145.985 1.00 40.79 O +ATOM 13934 OE2 GLU H 4 46.567 99.285 144.659 1.00 32.70 O +ATOM 13935 N VAL H 5 40.923 99.443 141.775 1.00 21.44 N +ATOM 13936 CA VAL H 5 40.619 98.430 140.756 1.00 20.86 C +ATOM 13937 C VAL H 5 39.242 98.569 140.066 1.00 20.42 C +ATOM 13938 O VAL H 5 38.935 97.826 139.122 1.00 20.83 O +ATOM 13939 CB VAL H 5 40.742 96.968 141.336 1.00 19.52 C +ATOM 13940 CG1 VAL H 5 42.114 96.744 141.905 1.00 15.72 C +ATOM 13941 CG2 VAL H 5 39.649 96.659 142.346 1.00 16.91 C +ATOM 13942 N ASP H 6 38.440 99.532 140.486 1.00 19.60 N +ATOM 13943 CA ASP H 6 37.110 99.739 139.917 1.00 19.44 C +ATOM 13944 C ASP H 6 37.029 101.146 139.335 1.00 20.07 C +ATOM 13945 O ASP H 6 36.819 102.120 140.085 1.00 20.53 O +ATOM 13946 CB ASP H 6 36.028 99.553 140.993 1.00 17.63 C +ATOM 13947 CG ASP H 6 34.606 99.619 140.428 1.00 21.65 C +ATOM 13948 OD1 ASP H 6 34.420 99.783 139.187 1.00 23.30 O +ATOM 13949 OD2 ASP H 6 33.659 99.458 141.239 1.00 26.53 O +ATOM 13950 N LEU H 7 37.160 101.273 138.011 1.00 18.86 N +ATOM 13951 CA LEU H 7 37.140 102.625 137.394 1.00 19.85 C +ATOM 13952 C LEU H 7 35.856 103.403 137.613 1.00 20.45 C +ATOM 13953 O LEU H 7 35.865 104.633 137.605 1.00 21.80 O +ATOM 13954 CB LEU H 7 37.428 102.592 135.881 1.00 18.49 C +ATOM 13955 CG LEU H 7 37.962 103.924 135.325 1.00 16.69 C +ATOM 13956 CD1 LEU H 7 39.454 104.072 135.708 1.00 10.37 C +ATOM 13957 CD2 LEU H 7 37.764 104.026 133.810 1.00 16.11 C +ATOM 13958 N SER H 8 34.746 102.691 137.789 1.00 21.52 N +ATOM 13959 CA SER H 8 33.427 103.335 137.956 1.00 21.79 C +ATOM 13960 C SER H 8 33.278 104.201 139.214 1.00 22.68 C +ATOM 13961 O SER H 8 32.321 104.999 139.317 1.00 23.46 O +ATOM 13962 CB SER H 8 32.358 102.274 137.956 1.00 23.36 C +ATOM 13963 OG SER H 8 32.332 101.671 136.690 1.00 24.84 O +ATOM 13964 N VAL H 9 34.202 104.024 140.168 1.00 22.32 N +ATOM 13965 CA VAL H 9 34.304 104.871 141.361 1.00 22.66 C +ATOM 13966 C VAL H 9 35.695 105.547 141.524 1.00 24.03 C +ATOM 13967 O VAL H 9 35.914 106.312 142.463 1.00 27.47 O +ATOM 13968 CB VAL H 9 33.971 104.064 142.629 1.00 22.41 C +ATOM 13969 CG1 VAL H 9 32.502 103.581 142.595 1.00 18.84 C +ATOM 13970 CG2 VAL H 9 34.929 102.881 142.832 1.00 19.80 C +ATOM 13971 N SER H 10 36.619 105.295 140.603 1.00 22.56 N +ATOM 13972 CA SER H 10 37.971 105.803 140.723 1.00 21.80 C +ATOM 13973 C SER H 10 38.174 107.195 140.152 1.00 22.58 C +ATOM 13974 O SER H 10 37.343 107.725 139.430 1.00 22.13 O +ATOM 13975 CB SER H 10 38.963 104.854 140.059 1.00 23.20 C +ATOM 13976 OG SER H 10 40.279 105.210 140.482 1.00 22.45 O +ATOM 13977 N CYS H 11 39.326 107.756 140.476 1.00 22.90 N +ATOM 13978 CA CYS H 11 39.738 109.059 139.992 1.00 23.34 C +ATOM 13979 C CYS H 11 41.225 109.038 139.685 1.00 22.99 C +ATOM 13980 O CYS H 11 41.966 108.154 140.161 1.00 23.91 O +ATOM 13981 CB CYS H 11 39.423 110.114 141.051 1.00 25.99 C +ATOM 13982 SG CYS H 11 40.334 109.837 142.590 1.00 25.25 S +ATOM 13983 N LEU H 12 41.662 109.998 138.885 1.00 23.30 N +ATOM 13984 CA LEU H 12 43.046 110.029 138.406 1.00 23.91 C +ATOM 13985 C LEU H 12 44.063 110.090 139.516 1.00 25.49 C +ATOM 13986 O LEU H 12 45.135 109.513 139.395 1.00 26.38 O +ATOM 13987 CB LEU H 12 43.292 111.220 137.471 1.00 24.69 C +ATOM 13988 CG LEU H 12 44.689 111.333 136.817 1.00 24.05 C +ATOM 13989 CD1 LEU H 12 45.123 110.023 136.076 1.00 19.05 C +ATOM 13990 CD2 LEU H 12 44.735 112.552 135.855 1.00 22.94 C +ATOM 13991 N GLY H 13 43.773 110.838 140.569 1.00 26.17 N +ATOM 13992 CA GLY H 13 44.692 110.912 141.706 1.00 26.99 C +ATOM 13993 C GLY H 13 45.019 109.540 142.288 1.00 28.12 C +ATOM 13994 O GLY H 13 46.151 109.268 142.631 1.00 28.94 O +ATOM 13995 N LYS H 14 44.033 108.666 142.371 1.00 28.59 N +ATOM 13996 CA LYS H 14 44.250 107.341 142.910 1.00 30.33 C +ATOM 13997 C LYS H 14 45.045 106.443 141.963 1.00 31.01 C +ATOM 13998 O LYS H 14 45.885 105.665 142.405 1.00 35.30 O +ATOM 13999 CB LYS H 14 42.917 106.679 143.248 1.00 30.92 C +ATOM 14000 CG LYS H 14 43.045 105.223 143.664 1.00 40.22 C +ATOM 14001 CD LYS H 14 43.903 105.062 144.929 1.00 45.14 C +ATOM 14002 CE LYS H 14 43.823 103.652 145.492 1.00 45.08 C +ATOM 14003 NZ LYS H 14 44.383 103.573 146.881 1.00 47.82 N +ATOM 14004 N VAL H 15 44.802 106.543 140.661 1.00 29.59 N +ATOM 14005 CA VAL H 15 45.399 105.584 139.748 1.00 28.34 C +ATOM 14006 C VAL H 15 46.753 106.020 139.170 1.00 29.29 C +ATOM 14007 O VAL H 15 47.508 105.138 138.761 1.00 26.94 O +ATOM 14008 CB VAL H 15 44.426 105.153 138.592 1.00 29.28 C +ATOM 14009 CG1 VAL H 15 43.055 104.818 139.150 1.00 28.41 C +ATOM 14010 CG2 VAL H 15 44.344 106.180 137.510 1.00 23.07 C +ATOM 14011 N LYS H 16 47.074 107.332 139.167 1.00 30.64 N +ATOM 14012 CA LYS H 16 48.198 107.840 138.341 1.00 34.81 C +ATOM 14013 C LYS H 16 49.581 107.354 138.773 1.00 34.92 C +ATOM 14014 O LYS H 16 50.482 107.222 137.951 1.00 35.45 O +ATOM 14015 CB LYS H 16 48.188 109.387 138.154 1.00 34.97 C +ATOM 14016 CG LYS H 16 48.693 110.213 139.327 1.00 38.66 C +ATOM 14017 CD LYS H 16 49.068 111.669 138.940 1.00 39.81 C +ATOM 14018 CE LYS H 16 49.675 112.388 140.156 1.00 49.33 C +ATOM 14019 NZ LYS H 16 50.003 113.844 139.972 1.00 54.25 N +ATOM 14020 N GLU H 17 49.766 107.087 140.053 1.00 36.04 N +ATOM 14021 CA GLU H 17 51.076 106.639 140.518 1.00 39.81 C +ATOM 14022 C GLU H 17 51.226 105.102 140.536 1.00 38.52 C +ATOM 14023 O GLU H 17 52.311 104.609 140.793 1.00 39.25 O +ATOM 14024 CB GLU H 17 51.378 107.243 141.907 1.00 41.57 C +ATOM 14025 CG GLU H 17 51.428 108.812 141.929 1.00 49.31 C +ATOM 14026 CD GLU H 17 52.593 109.411 141.107 1.00 56.70 C +ATOM 14027 OE1 GLU H 17 53.763 109.299 141.549 1.00 62.41 O +ATOM 14028 OE2 GLU H 17 52.347 110.016 140.035 1.00 60.47 O +ATOM 14029 N LEU H 18 50.161 104.358 140.205 1.00 35.62 N +ATOM 14030 CA LEU H 18 50.149 102.898 140.341 1.00 32.92 C +ATOM 14031 C LEU H 18 50.332 102.192 139.007 1.00 31.53 C +ATOM 14032 O LEU H 18 49.921 102.685 137.967 1.00 32.26 O +ATOM 14033 CB LEU H 18 48.843 102.432 140.983 1.00 32.84 C +ATOM 14034 CG LEU H 18 48.455 102.971 142.360 1.00 30.04 C +ATOM 14035 CD1 LEU H 18 47.059 102.465 142.743 1.00 24.84 C +ATOM 14036 CD2 LEU H 18 49.477 102.579 143.413 1.00 29.86 C +ATOM 14037 N LYS H 19 50.980 101.037 139.055 1.00 30.46 N +ATOM 14038 CA LYS H 19 51.229 100.210 137.889 1.00 29.54 C +ATOM 14039 C LYS H 19 50.086 99.227 137.720 1.00 26.70 C +ATOM 14040 O LYS H 19 49.665 98.580 138.683 1.00 24.33 O +ATOM 14041 CB LYS H 19 52.548 99.463 138.080 1.00 31.18 C +ATOM 14042 CG LYS H 19 52.941 98.504 136.970 1.00 38.53 C +ATOM 14043 CD LYS H 19 53.317 99.261 135.740 1.00 46.40 C +ATOM 14044 CE LYS H 19 53.677 98.344 134.594 1.00 53.12 C +ATOM 14045 NZ LYS H 19 54.109 99.199 133.448 1.00 54.69 N +ATOM 14046 N TYR H 20 49.579 99.115 136.494 1.00 25.09 N +ATOM 14047 CA TYR H 20 48.502 98.190 136.192 1.00 24.19 C +ATOM 14048 C TYR H 20 48.981 97.201 135.141 1.00 24.04 C +ATOM 14049 O TYR H 20 49.547 97.597 134.121 1.00 25.59 O +ATOM 14050 CB TYR H 20 47.241 98.927 135.721 1.00 21.80 C +ATOM 14051 CG TYR H 20 46.533 99.671 136.823 1.00 21.98 C +ATOM 14052 CD1 TYR H 20 46.940 100.936 137.190 1.00 21.30 C +ATOM 14053 CD2 TYR H 20 45.438 99.115 137.487 1.00 15.89 C +ATOM 14054 CE1 TYR H 20 46.294 101.631 138.191 1.00 21.23 C +ATOM 14055 CE2 TYR H 20 44.804 99.794 138.477 1.00 17.50 C +ATOM 14056 CZ TYR H 20 45.236 101.074 138.821 1.00 18.82 C +ATOM 14057 OH TYR H 20 44.622 101.808 139.800 1.00 22.06 O +ATOM 14058 N ASP H 21 48.700 95.924 135.393 1.00 24.86 N +ATOM 14059 CA ASP H 21 49.222 94.813 134.594 1.00 26.10 C +ATOM 14060 C ASP H 21 48.239 94.304 133.525 1.00 25.92 C +ATOM 14061 O ASP H 21 48.652 93.982 132.406 1.00 27.21 O +ATOM 14062 CB ASP H 21 49.618 93.654 135.516 1.00 26.56 C +ATOM 14063 CG ASP H 21 50.715 94.036 136.513 1.00 33.11 C +ATOM 14064 OD1 ASP H 21 51.837 94.325 136.056 1.00 38.11 O +ATOM 14065 OD2 ASP H 21 50.465 94.014 137.749 1.00 36.11 O +ATOM 14066 N VAL H 22 46.962 94.197 133.899 1.00 23.80 N +ATOM 14067 CA VAL H 22 45.903 93.703 133.021 1.00 22.85 C +ATOM 14068 C VAL H 22 44.692 94.637 133.134 1.00 21.45 C +ATOM 14069 O VAL H 22 44.445 95.178 134.198 1.00 19.64 O +ATOM 14070 CB VAL H 22 45.469 92.236 133.372 1.00 23.04 C +ATOM 14071 CG1 VAL H 22 44.547 91.631 132.289 1.00 17.25 C +ATOM 14072 CG2 VAL H 22 46.670 91.353 133.588 1.00 22.37 C +ATOM 14073 N ILE H 23 43.995 94.857 132.016 1.00 19.63 N +ATOM 14074 CA ILE H 23 42.745 95.596 131.993 1.00 18.37 C +ATOM 14075 C ILE H 23 41.631 94.585 131.818 1.00 18.27 C +ATOM 14076 O ILE H 23 41.790 93.618 131.053 1.00 18.16 O +ATOM 14077 CB ILE H 23 42.659 96.645 130.834 1.00 18.93 C +ATOM 14078 CG1 ILE H 23 43.873 97.560 130.817 1.00 21.45 C +ATOM 14079 CG2 ILE H 23 41.415 97.514 130.984 1.00 15.01 C +ATOM 14080 CD1 ILE H 23 43.915 98.533 131.977 1.00 23.23 C +ATOM 14081 N ILE H 24 40.514 94.808 132.529 1.00 17.82 N +ATOM 14082 CA ILE H 24 39.341 93.953 132.430 1.00 13.68 C +ATOM 14083 C ILE H 24 38.179 94.821 131.944 1.00 16.84 C +ATOM 14084 O ILE H 24 37.894 95.880 132.516 1.00 17.35 O +ATOM 14085 CB ILE H 24 38.909 93.270 133.778 1.00 13.87 C +ATOM 14086 CG1 ILE H 24 40.085 92.688 134.584 1.00 16.35 C +ATOM 14087 CG2 ILE H 24 37.835 92.230 133.526 1.00 9.81 C +ATOM 14088 CD1 ILE H 24 41.001 91.935 133.800 1.00 27.72 C +ATOM 14089 N LEU H 25 37.510 94.340 130.904 1.00 17.14 N +ATOM 14090 CA LEU H 25 36.408 95.021 130.289 1.00 17.45 C +ATOM 14091 C LEU H 25 35.137 94.189 130.463 1.00 18.04 C +ATOM 14092 O LEU H 25 34.913 93.207 129.734 1.00 18.50 O +ATOM 14093 CB LEU H 25 36.721 95.291 128.807 1.00 18.50 C +ATOM 14094 CG LEU H 25 35.625 96.029 128.019 1.00 16.91 C +ATOM 14095 CD1 LEU H 25 35.398 97.457 128.630 1.00 15.86 C +ATOM 14096 CD2 LEU H 25 35.940 96.078 126.521 1.00 13.62 C +ATOM 14097 N PRO H 26 34.291 94.580 131.432 1.00 18.00 N +ATOM 14098 CA PRO H 26 32.952 93.971 131.499 1.00 18.55 C +ATOM 14099 C PRO H 26 32.069 94.373 130.321 1.00 18.45 C +ATOM 14100 O PRO H 26 31.960 95.550 130.016 1.00 18.45 O +ATOM 14101 CB PRO H 26 32.357 94.539 132.806 1.00 16.55 C +ATOM 14102 CG PRO H 26 33.513 95.175 133.545 1.00 20.39 C +ATOM 14103 CD PRO H 26 34.490 95.586 132.487 1.00 18.93 C +ATOM 14104 N TRP H 27 31.420 93.393 129.695 1.00 18.80 N +ATOM 14105 CA TRP H 27 30.570 93.640 128.579 1.00 17.21 C +ATOM 14106 C TRP H 27 29.223 92.939 128.779 1.00 16.48 C +ATOM 14107 O TRP H 27 29.133 91.711 128.788 1.00 16.91 O +ATOM 14108 CB TRP H 27 31.245 93.187 127.284 1.00 16.07 C +ATOM 14109 CG TRP H 27 30.729 93.901 126.073 1.00 16.04 C +ATOM 14110 CD1 TRP H 27 29.430 94.044 125.714 1.00 15.47 C +ATOM 14111 CD2 TRP H 27 31.504 94.589 125.079 1.00 15.12 C +ATOM 14112 NE1 TRP H 27 29.341 94.752 124.546 1.00 18.02 N +ATOM 14113 CE2 TRP H 27 30.597 95.102 124.133 1.00 15.61 C +ATOM 14114 CE3 TRP H 27 32.888 94.799 124.891 1.00 16.27 C +ATOM 14115 CZ2 TRP H 27 31.003 95.844 123.005 1.00 18.07 C +ATOM 14116 CZ3 TRP H 27 33.308 95.538 123.763 1.00 18.08 C +ATOM 14117 CH2 TRP H 27 32.352 96.064 122.840 1.00 14.97 C +ATOM 14118 N GLY H 28 28.180 93.745 128.886 1.00 16.29 N +ATOM 14119 CA GLY H 28 26.833 93.263 129.152 1.00 16.66 C +ATOM 14120 C GLY H 28 25.854 93.539 128.014 1.00 16.90 C +ATOM 14121 O GLY H 28 26.153 93.336 126.833 1.00 16.24 O +ATOM 14122 N ALA H 29 24.674 93.978 128.412 1.00 17.33 N +ATOM 14123 CA ALA H 29 23.520 94.144 127.555 1.00 16.75 C +ATOM 14124 C ALA H 29 22.498 94.921 128.389 1.00 17.66 C +ATOM 14125 O ALA H 29 22.520 94.848 129.629 1.00 18.58 O +ATOM 14126 CB ALA H 29 22.917 92.795 127.137 1.00 12.32 C +ATOM 14127 N THR H 30 21.610 95.621 127.691 1.00 18.70 N +ATOM 14128 CA THR H 30 20.427 96.259 128.263 1.00 18.67 C +ATOM 14129 C THR H 30 19.242 95.433 127.804 1.00 20.01 C +ATOM 14130 O THR H 30 18.821 95.520 126.637 1.00 19.20 O +ATOM 14131 CB THR H 30 20.357 97.755 127.812 1.00 18.31 C +ATOM 14132 OG1 THR H 30 21.617 98.384 128.065 1.00 15.52 O +ATOM 14133 CG2 THR H 30 19.297 98.511 128.570 1.00 17.80 C +ATOM 14134 N GLU H 31 18.710 94.613 128.722 1.00 20.39 N +ATOM 14135 CA GLU H 31 17.856 93.459 128.368 1.00 20.65 C +ATOM 14136 C GLU H 31 16.907 93.045 129.508 1.00 20.97 C +ATOM 14137 O GLU H 31 17.336 92.855 130.648 1.00 20.95 O +ATOM 14138 CB GLU H 31 18.765 92.255 128.030 1.00 21.75 C +ATOM 14139 CG GLU H 31 18.078 90.944 127.561 1.00 18.69 C +ATOM 14140 CD GLU H 31 19.065 89.772 127.394 1.00 23.18 C +ATOM 14141 OE1 GLU H 31 20.088 89.757 128.120 1.00 23.32 O +ATOM 14142 OE2 GLU H 31 18.822 88.860 126.561 1.00 22.86 O +ATOM 14143 N PRO H 32 15.610 92.930 129.214 1.00 22.11 N +ATOM 14144 CA PRO H 32 14.698 92.359 130.210 1.00 22.04 C +ATOM 14145 C PRO H 32 15.163 90.967 130.706 1.00 21.31 C +ATOM 14146 O PRO H 32 15.596 90.135 129.915 1.00 20.57 O +ATOM 14147 CB PRO H 32 13.367 92.255 129.462 1.00 22.80 C +ATOM 14148 CG PRO H 32 13.493 93.184 128.280 1.00 24.42 C +ATOM 14149 CD PRO H 32 14.937 93.371 127.985 1.00 20.68 C +ATOM 14150 N HIS H 33 15.087 90.742 132.007 1.00 20.45 N +ATOM 14151 CA HIS H 33 15.472 89.469 132.629 1.00 19.98 C +ATOM 14152 C HIS H 33 14.315 88.911 133.465 1.00 20.74 C +ATOM 14153 O HIS H 33 14.278 89.122 134.692 1.00 18.15 O +ATOM 14154 CB HIS H 33 16.662 89.710 133.545 1.00 19.08 C +ATOM 14155 CG HIS H 33 17.976 89.641 132.852 1.00 20.15 C +ATOM 14156 ND1 HIS H 33 18.386 90.581 131.932 1.00 19.96 N +ATOM 14157 CD2 HIS H 33 18.965 88.731 132.933 1.00 15.62 C +ATOM 14158 CE1 HIS H 33 19.589 90.259 131.498 1.00 21.81 C +ATOM 14159 NE2 HIS H 33 19.964 89.142 132.091 1.00 19.50 N +ATOM 14160 N ASN H 34 13.370 88.227 132.817 1.00 21.23 N +ATOM 14161 CA ASN H 34 12.136 87.832 133.499 1.00 22.29 C +ATOM 14162 C ASN H 34 11.518 89.146 134.038 1.00 23.46 C +ATOM 14163 O ASN H 34 11.807 90.224 133.527 1.00 23.43 O +ATOM 14164 CB ASN H 34 12.452 86.775 134.595 1.00 23.37 C +ATOM 14165 CG ASN H 34 11.224 85.973 135.073 1.00 21.87 C +ATOM 14166 OD1 ASN H 34 10.162 86.544 135.291 1.00 19.64 O +ATOM 14167 ND2 ASN H 34 11.400 84.653 135.299 1.00 18.41 N +ATOM 14168 N LEU H 35 10.687 89.073 135.069 1.00 23.72 N +ATOM 14169 CA LEU H 35 10.039 90.267 135.563 1.00 23.01 C +ATOM 14170 C LEU H 35 10.847 90.918 136.674 1.00 22.08 C +ATOM 14171 O LEU H 35 10.675 92.092 136.961 1.00 23.89 O +ATOM 14172 CB LEU H 35 8.622 89.935 136.061 1.00 24.41 C +ATOM 14173 CG LEU H 35 7.666 89.281 135.073 1.00 24.50 C +ATOM 14174 CD1 LEU H 35 6.361 88.996 135.776 1.00 27.95 C +ATOM 14175 CD2 LEU H 35 7.455 90.187 133.834 1.00 22.93 C +ATOM 14176 N HIS H 36 11.767 90.166 137.266 1.00 22.14 N +ATOM 14177 CA HIS H 36 12.320 90.515 138.585 1.00 22.06 C +ATOM 14178 C HIS H 36 13.755 91.044 138.570 1.00 22.47 C +ATOM 14179 O HIS H 36 14.145 91.815 139.469 1.00 23.17 O +ATOM 14180 CB HIS H 36 12.235 89.316 139.530 1.00 22.42 C +ATOM 14181 CG HIS H 36 13.073 88.151 139.120 1.00 22.93 C +ATOM 14182 ND1 HIS H 36 12.973 87.563 137.876 1.00 19.26 N +ATOM 14183 CD2 HIS H 36 14.006 87.440 139.804 1.00 18.73 C +ATOM 14184 CE1 HIS H 36 13.823 86.554 137.805 1.00 21.23 C +ATOM 14185 NE2 HIS H 36 14.455 86.451 138.963 1.00 19.27 N +ATOM 14186 N LEU H 37 14.555 90.627 137.589 1.00 21.16 N +ATOM 14187 CA LEU H 37 15.963 91.032 137.571 1.00 20.36 C +ATOM 14188 C LEU H 37 16.191 92.379 136.819 1.00 19.73 C +ATOM 14189 O LEU H 37 15.430 92.762 135.940 1.00 19.22 O +ATOM 14190 CB LEU H 37 16.821 89.935 136.970 1.00 20.46 C +ATOM 14191 CG LEU H 37 17.244 88.772 137.841 1.00 19.04 C +ATOM 14192 CD1 LEU H 37 17.926 87.769 136.924 1.00 17.42 C +ATOM 14193 CD2 LEU H 37 18.176 89.216 138.974 1.00 18.50 C +ATOM 14194 N PRO H 38 17.223 93.113 137.220 1.00 20.68 N +ATOM 14195 CA PRO H 38 17.597 94.344 136.532 1.00 20.96 C +ATOM 14196 C PRO H 38 17.854 94.191 135.019 1.00 19.80 C +ATOM 14197 O PRO H 38 18.458 93.195 134.544 1.00 18.62 O +ATOM 14198 CB PRO H 38 18.903 94.768 137.245 1.00 21.09 C +ATOM 14199 CG PRO H 38 18.833 94.156 138.545 1.00 21.66 C +ATOM 14200 CD PRO H 38 18.085 92.858 138.376 1.00 17.93 C +ATOM 14201 N TYR H 39 17.411 95.214 134.284 1.00 19.34 N +ATOM 14202 CA TYR H 39 17.770 95.410 132.883 1.00 18.88 C +ATOM 14203 C TYR H 39 19.264 95.364 132.635 1.00 18.36 C +ATOM 14204 O TYR H 39 19.668 94.965 131.551 1.00 18.79 O +ATOM 14205 CB TYR H 39 17.220 96.757 132.367 1.00 19.69 C +ATOM 14206 CG TYR H 39 15.822 96.700 131.797 1.00 20.38 C +ATOM 14207 CD1 TYR H 39 14.702 96.852 132.620 1.00 20.30 C +ATOM 14208 CD2 TYR H 39 15.615 96.523 130.430 1.00 18.91 C +ATOM 14209 CE1 TYR H 39 13.412 96.828 132.092 1.00 21.70 C +ATOM 14210 CE2 TYR H 39 14.322 96.485 129.896 1.00 20.98 C +ATOM 14211 CZ TYR H 39 13.221 96.637 130.722 1.00 22.27 C +ATOM 14212 OH TYR H 39 11.922 96.600 130.195 1.00 18.83 O +ATOM 14213 N LEU H 40 20.068 95.799 133.617 1.00 18.27 N +ATOM 14214 CA LEU H 40 21.541 95.764 133.519 1.00 17.69 C +ATOM 14215 C LEU H 40 22.256 94.585 134.205 1.00 17.69 C +ATOM 14216 O LEU H 40 23.491 94.576 134.374 1.00 18.36 O +ATOM 14217 CB LEU H 40 22.145 97.077 134.006 1.00 17.03 C +ATOM 14218 CG LEU H 40 21.869 98.354 133.207 1.00 17.32 C +ATOM 14219 CD1 LEU H 40 22.514 99.502 133.967 1.00 15.10 C +ATOM 14220 CD2 LEU H 40 22.404 98.244 131.830 1.00 16.68 C +ATOM 14221 N THR H 41 21.508 93.561 134.538 1.00 18.74 N +ATOM 14222 CA THR H 41 22.076 92.334 135.092 1.00 18.32 C +ATOM 14223 C THR H 41 23.358 91.927 134.362 1.00 18.65 C +ATOM 14224 O THR H 41 24.335 91.626 134.991 1.00 18.16 O +ATOM 14225 CB THR H 41 21.038 91.188 135.041 1.00 17.84 C +ATOM 14226 OG1 THR H 41 19.937 91.499 135.881 1.00 17.25 O +ATOM 14227 CG2 THR H 41 21.624 89.844 135.471 1.00 15.83 C +ATOM 14228 N ASP H 42 23.370 91.921 133.043 1.00 18.81 N +ATOM 14229 CA ASP H 42 24.555 91.431 132.309 1.00 18.02 C +ATOM 14230 C ASP H 42 25.764 92.349 132.359 1.00 18.07 C +ATOM 14231 O ASP H 42 26.876 91.946 131.994 1.00 17.80 O +ATOM 14232 CB ASP H 42 24.225 91.161 130.840 1.00 17.73 C +ATOM 14233 CG ASP H 42 23.246 90.037 130.657 1.00 20.38 C +ATOM 14234 OD1 ASP H 42 22.971 89.334 131.648 1.00 19.79 O +ATOM 14235 OD2 ASP H 42 22.748 89.864 129.518 1.00 20.42 O +ATOM 14236 N CYS H 43 25.554 93.591 132.769 1.00 18.47 N +ATOM 14237 CA CYS H 43 26.664 94.491 133.096 1.00 19.79 C +ATOM 14238 C CYS H 43 27.123 94.326 134.532 1.00 18.87 C +ATOM 14239 O CYS H 43 28.310 94.178 134.805 1.00 18.75 O +ATOM 14240 CB CYS H 43 26.230 95.954 132.885 1.00 19.18 C +ATOM 14241 SG CYS H 43 25.938 96.422 131.182 1.00 22.23 S +ATOM 14242 N ILE H 44 26.152 94.368 135.445 1.00 18.51 N +ATOM 14243 CA ILE H 44 26.374 94.332 136.908 1.00 18.69 C +ATOM 14244 C ILE H 44 27.171 93.087 137.343 1.00 19.35 C +ATOM 14245 O ILE H 44 28.202 93.197 138.008 1.00 20.13 O +ATOM 14246 CB ILE H 44 25.024 94.446 137.699 1.00 18.69 C +ATOM 14247 CG1 ILE H 44 24.346 95.800 137.435 1.00 20.04 C +ATOM 14248 CG2 ILE H 44 25.265 94.323 139.187 1.00 17.27 C +ATOM 14249 CD1 ILE H 44 22.827 95.891 137.851 1.00 17.60 C +ATOM 14250 N LEU H 45 26.726 91.907 136.924 1.00 19.08 N +ATOM 14251 CA LEU H 45 27.335 90.675 137.397 1.00 18.97 C +ATOM 14252 C LEU H 45 28.804 90.504 136.993 1.00 18.35 C +ATOM 14253 O LEU H 45 29.640 90.326 137.865 1.00 18.30 O +ATOM 14254 CB LEU H 45 26.456 89.452 137.066 1.00 18.98 C +ATOM 14255 CG LEU H 45 25.053 89.503 137.738 1.00 18.58 C +ATOM 14256 CD1 LEU H 45 24.307 88.236 137.468 1.00 14.99 C +ATOM 14257 CD2 LEU H 45 25.161 89.794 139.247 1.00 14.12 C +ATOM 14258 N PRO H 46 29.154 90.616 135.692 1.00 18.54 N +ATOM 14259 CA PRO H 46 30.603 90.553 135.385 1.00 18.55 C +ATOM 14260 C PRO H 46 31.459 91.707 135.966 1.00 18.45 C +ATOM 14261 O PRO H 46 32.637 91.500 136.286 1.00 20.52 O +ATOM 14262 CB PRO H 46 30.625 90.540 133.861 1.00 19.38 C +ATOM 14263 CG PRO H 46 29.405 91.263 133.496 1.00 17.87 C +ATOM 14264 CD PRO H 46 28.368 90.776 134.464 1.00 18.91 C +ATOM 14265 N HIS H 47 30.871 92.887 136.152 1.00 19.42 N +ATOM 14266 CA HIS H 47 31.563 93.981 136.843 1.00 20.98 C +ATOM 14267 C HIS H 47 31.954 93.584 138.271 1.00 19.74 C +ATOM 14268 O HIS H 47 33.103 93.725 138.656 1.00 18.71 O +ATOM 14269 CB HIS H 47 30.699 95.239 136.892 1.00 20.98 C +ATOM 14270 CG HIS H 47 31.286 96.342 137.717 1.00 22.53 C +ATOM 14271 ND1 HIS H 47 31.037 96.475 139.072 1.00 25.10 N +ATOM 14272 CD2 HIS H 47 32.106 97.362 137.380 1.00 20.92 C +ATOM 14273 CE1 HIS H 47 31.711 97.513 139.532 1.00 26.21 C +ATOM 14274 NE2 HIS H 47 32.363 98.069 138.523 1.00 23.23 N +ATOM 14275 N ASP H 48 30.975 93.091 139.037 1.00 20.98 N +ATOM 14276 CA ASP H 48 31.175 92.735 140.458 1.00 21.16 C +ATOM 14277 C ASP H 48 32.131 91.544 140.623 1.00 20.60 C +ATOM 14278 O ASP H 48 33.021 91.574 141.447 1.00 20.81 O +ATOM 14279 CB ASP H 48 29.823 92.457 141.108 1.00 21.51 C +ATOM 14280 CG ASP H 48 29.032 93.734 141.372 1.00 24.50 C +ATOM 14281 OD1 ASP H 48 29.442 94.843 140.931 1.00 29.74 O +ATOM 14282 OD2 ASP H 48 27.995 93.627 142.029 1.00 25.45 O +ATOM 14283 N ILE H 49 31.953 90.535 139.788 1.00 19.59 N +ATOM 14284 CA ILE H 49 32.878 89.407 139.714 1.00 18.71 C +ATOM 14285 C ILE H 49 34.285 89.841 139.360 1.00 19.08 C +ATOM 14286 O ILE H 49 35.236 89.372 139.950 1.00 19.70 O +ATOM 14287 CB ILE H 49 32.388 88.355 138.682 1.00 19.70 C +ATOM 14288 CG1 ILE H 49 31.039 87.761 139.120 1.00 17.05 C +ATOM 14289 CG2 ILE H 49 33.411 87.219 138.480 1.00 17.44 C +ATOM 14290 CD1 ILE H 49 30.526 86.803 138.139 1.00 16.56 C +ATOM 14291 N ALA H 50 34.419 90.708 138.370 1.00 19.52 N +ATOM 14292 CA ALA H 50 35.736 91.162 137.906 1.00 19.25 C +ATOM 14293 C ALA H 50 36.477 91.893 139.006 1.00 19.16 C +ATOM 14294 O ALA H 50 37.676 91.715 139.174 1.00 19.49 O +ATOM 14295 CB ALA H 50 35.597 92.095 136.680 1.00 17.22 C +ATOM 14296 N VAL H 51 35.753 92.731 139.739 1.00 19.43 N +ATOM 14297 CA VAL H 51 36.318 93.515 140.846 1.00 20.57 C +ATOM 14298 C VAL H 51 36.814 92.588 141.965 1.00 20.43 C +ATOM 14299 O VAL H 51 37.961 92.680 142.420 1.00 20.49 O +ATOM 14300 CB VAL H 51 35.249 94.548 141.347 1.00 21.18 C +ATOM 14301 CG1 VAL H 51 35.594 95.098 142.758 1.00 18.05 C +ATOM 14302 CG2 VAL H 51 35.132 95.652 140.341 1.00 16.90 C +ATOM 14303 N GLU H 52 35.973 91.648 142.366 1.00 21.22 N +ATOM 14304 CA AGLU H 52 36.381 90.685 143.385 0.50 20.35 C +ATOM 14305 CA BGLU H 52 36.360 90.644 143.364 0.50 20.20 C +ATOM 14306 C GLU H 52 37.607 89.872 142.919 1.00 21.69 C +ATOM 14307 O GLU H 52 38.514 89.623 143.701 1.00 22.08 O +ATOM 14308 CB AGLU H 52 35.222 89.772 143.760 0.50 21.17 C +ATOM 14309 CB BGLU H 52 35.231 89.650 143.593 0.50 21.09 C +ATOM 14310 CG AGLU H 52 35.252 89.319 145.225 0.50 22.82 C +ATOM 14311 CG BGLU H 52 34.022 90.186 144.351 0.50 18.54 C +ATOM 14312 CD AGLU H 52 34.302 88.181 145.514 0.50 19.01 C +ATOM 14313 CD BGLU H 52 33.349 89.125 145.227 0.50 22.30 C +ATOM 14314 OE1AGLU H 52 34.719 87.246 146.225 0.50 22.13 O +ATOM 14315 OE1BGLU H 52 33.098 89.415 146.420 0.50 24.42 O +ATOM 14316 OE2AGLU H 52 33.145 88.209 145.032 0.50 24.36 O +ATOM 14317 OE2BGLU H 52 33.078 88.006 144.727 0.50 20.84 O +ATOM 14318 N ALA H 53 37.639 89.478 141.643 1.00 20.61 N +ATOM 14319 CA ALA H 53 38.754 88.724 141.104 1.00 18.95 C +ATOM 14320 C ALA H 53 40.003 89.603 141.043 1.00 20.08 C +ATOM 14321 O ALA H 53 41.099 89.138 141.342 1.00 20.19 O +ATOM 14322 CB ALA H 53 38.387 88.155 139.759 1.00 16.67 C +ATOM 14323 N ALA H 54 39.830 90.878 140.696 1.00 20.01 N +ATOM 14324 CA ALA H 54 40.933 91.878 140.710 1.00 21.03 C +ATOM 14325 C ALA H 54 41.492 92.126 142.126 1.00 20.71 C +ATOM 14326 O ALA H 54 42.702 92.233 142.317 1.00 21.62 O +ATOM 14327 CB ALA H 54 40.454 93.205 140.083 1.00 18.74 C +ATOM 14328 N GLU H 55 40.596 92.213 143.107 1.00 22.46 N +ATOM 14329 CA GLU H 55 40.952 92.303 144.535 1.00 23.92 C +ATOM 14330 C GLU H 55 41.687 91.068 145.037 1.00 23.73 C +ATOM 14331 O GLU H 55 42.655 91.196 145.806 1.00 23.52 O +ATOM 14332 CB GLU H 55 39.700 92.560 145.385 1.00 23.82 C +ATOM 14333 CG GLU H 55 39.115 93.941 145.195 1.00 25.84 C +ATOM 14334 CD GLU H 55 37.815 94.188 145.963 1.00 27.35 C +ATOM 14335 OE1 GLU H 55 37.078 93.229 146.248 1.00 34.87 O +ATOM 14336 OE2 GLU H 55 37.535 95.359 146.286 1.00 32.72 O +ATOM 14337 N LEU H 56 41.259 89.888 144.589 1.00 22.99 N +ATOM 14338 CA LEU H 56 41.928 88.646 144.930 1.00 23.25 C +ATOM 14339 C LEU H 56 43.319 88.527 144.325 1.00 24.38 C +ATOM 14340 O LEU H 56 44.231 88.052 144.988 1.00 25.71 O +ATOM 14341 CB LEU H 56 41.084 87.419 144.535 1.00 23.35 C +ATOM 14342 CG LEU H 56 41.664 86.037 144.861 1.00 24.31 C +ATOM 14343 CD1 LEU H 56 41.916 85.899 146.372 1.00 23.52 C +ATOM 14344 CD2 LEU H 56 40.750 84.911 144.368 1.00 18.96 C +ATOM 14345 N ALA H 57 43.481 88.922 143.069 1.00 24.05 N +ATOM 14346 CA ALA H 57 44.788 88.853 142.378 1.00 23.91 C +ATOM 14347 C ALA H 57 45.821 89.776 143.013 1.00 24.58 C +ATOM 14348 O ALA H 57 47.014 89.463 143.065 1.00 25.84 O +ATOM 14349 CB ALA H 57 44.633 89.198 140.882 1.00 20.19 C +ATOM 14350 N LEU H 58 45.369 90.936 143.457 1.00 24.57 N +ATOM 14351 CA LEU H 58 46.229 91.888 144.108 1.00 25.60 C +ATOM 14352 C LEU H 58 46.610 91.388 145.495 1.00 26.70 C +ATOM 14353 O LEU H 58 47.780 91.274 145.799 1.00 26.80 O +ATOM 14354 CB LEU H 58 45.538 93.239 144.202 1.00 24.84 C +ATOM 14355 CG LEU H 58 46.294 94.367 144.874 1.00 26.89 C +ATOM 14356 CD1 LEU H 58 47.482 94.748 144.042 1.00 20.68 C +ATOM 14357 CD2 LEU H 58 45.304 95.556 145.127 1.00 25.28 C +ATOM 14358 N SER H 59 45.620 91.088 146.331 1.00 27.70 N +ATOM 14359 CA SER H 59 45.881 90.634 147.708 1.00 31.16 C +ATOM 14360 C SER H 59 46.789 89.394 147.810 1.00 31.58 C +ATOM 14361 O SER H 59 47.619 89.309 148.696 1.00 33.68 O +ATOM 14362 CB SER H 59 44.566 90.388 148.479 1.00 29.86 C +ATOM 14363 OG SER H 59 43.970 89.141 148.167 1.00 34.24 O +ATOM 14364 N ARG H 60 46.649 88.458 146.891 1.00 31.50 N +ATOM 14365 CA ARG H 60 47.421 87.209 146.965 1.00 32.22 C +ATOM 14366 C ARG H 60 48.677 87.166 146.105 1.00 31.46 C +ATOM 14367 O ARG H 60 49.614 86.446 146.440 1.00 32.32 O +ATOM 14368 CB ARG H 60 46.516 85.988 146.735 1.00 32.72 C +ATOM 14369 CG ARG H 60 46.413 85.484 145.356 1.00 33.01 C +ATOM 14370 CD ARG H 60 45.518 84.259 145.307 1.00 35.26 C +ATOM 14371 NE ARG H 60 45.239 83.888 143.927 1.00 34.74 N +ATOM 14372 CZ ARG H 60 44.349 82.983 143.541 1.00 33.82 C +ATOM 14373 NH1 ARG H 60 43.666 82.290 144.428 1.00 36.18 N +ATOM 14374 NH2 ARG H 60 44.186 82.732 142.251 1.00 36.25 N +ATOM 14375 N SER H 61 48.726 87.962 145.034 1.00 30.77 N +ATOM 14376 CA SER H 61 49.892 87.928 144.128 1.00 28.47 C +ATOM 14377 C SER H 61 50.519 89.267 143.777 1.00 28.98 C +ATOM 14378 O SER H 61 51.534 89.291 143.082 1.00 28.77 O +ATOM 14379 CB SER H 61 49.524 87.230 142.850 1.00 29.25 C +ATOM 14380 OG SER H 61 48.930 85.985 143.113 1.00 35.36 O +ATOM 14381 N GLY H 62 49.939 90.365 144.251 1.00 27.78 N +ATOM 14382 CA GLY H 62 50.457 91.685 143.955 1.00 28.24 C +ATOM 14383 C GLY H 62 50.283 92.119 142.511 1.00 28.07 C +ATOM 14384 O GLY H 62 50.914 93.072 142.075 1.00 29.51 O +ATOM 14385 N VAL H 63 49.428 91.410 141.779 1.00 27.26 N +ATOM 14386 CA VAL H 63 49.085 91.745 140.416 1.00 25.61 C +ATOM 14387 C VAL H 63 47.878 92.692 140.438 1.00 24.81 C +ATOM 14388 O VAL H 63 46.845 92.381 141.020 1.00 24.14 O +ATOM 14389 CB VAL H 63 48.816 90.467 139.592 1.00 24.19 C +ATOM 14390 CG1 VAL H 63 48.261 90.804 138.241 1.00 21.29 C +ATOM 14391 CG2 VAL H 63 50.113 89.641 139.461 1.00 22.43 C +ATOM 14392 N ARG H 64 48.030 93.851 139.808 1.00 23.97 N +ATOM 14393 CA ARG H 64 47.031 94.893 139.844 1.00 23.75 C +ATOM 14394 C ARG H 64 46.338 95.082 138.505 1.00 23.04 C +ATOM 14395 O ARG H 64 46.978 95.413 137.495 1.00 22.00 O +ATOM 14396 CB ARG H 64 47.641 96.229 140.295 1.00 23.84 C +ATOM 14397 CG ARG H 64 46.540 97.285 140.598 1.00 24.39 C +ATOM 14398 CD ARG H 64 47.146 98.627 140.930 1.00 27.59 C +ATOM 14399 NE ARG H 64 47.702 98.612 142.282 1.00 25.87 N +ATOM 14400 CZ ARG H 64 48.995 98.563 142.585 1.00 29.32 C +ATOM 14401 NH1 ARG H 64 49.938 98.498 141.645 1.00 28.05 N +ATOM 14402 NH2 ARG H 64 49.345 98.567 143.863 1.00 30.23 N +ATOM 14403 N CYS H 65 45.007 94.925 138.538 1.00 22.69 N +ATOM 14404 CA CYS H 65 44.175 94.995 137.351 1.00 23.06 C +ATOM 14405 C CYS H 65 43.167 96.132 137.491 1.00 23.04 C +ATOM 14406 O CYS H 65 42.764 96.457 138.599 1.00 23.99 O +ATOM 14407 CB CYS H 65 43.429 93.679 137.187 1.00 25.32 C +ATOM 14408 SG CYS H 65 44.519 92.248 137.043 1.00 26.71 S +HETATM14409 N MSE H 66 42.772 96.738 136.373 1.00 20.66 N +HETATM14410 CA MSE H 66 41.766 97.773 136.387 1.00 19.19 C +HETATM14411 C MSE H 66 40.570 97.210 135.725 1.00 18.10 C +HETATM14412 O MSE H 66 40.679 96.735 134.618 1.00 17.79 O +HETATM14413 CB MSE H 66 42.235 99.040 135.646 1.00 18.82 C +HETATM14414 CG MSE H 66 41.226 100.164 135.643 1.00 20.63 C +HETATM14415 SE MSE H 66 40.547 100.664 137.431 0.75 19.89 SE +HETATM14416 CE MSE H 66 41.953 101.901 137.923 1.00 17.94 C +ATOM 14417 N VAL H 67 39.430 97.262 136.414 1.00 18.83 N +ATOM 14418 CA VAL H 67 38.125 96.942 135.842 1.00 17.37 C +ATOM 14419 C VAL H 67 37.461 98.202 135.276 1.00 19.06 C +ATOM 14420 O VAL H 67 37.067 99.126 136.003 1.00 18.90 O +ATOM 14421 CB VAL H 67 37.174 96.252 136.857 1.00 16.39 C +ATOM 14422 CG1 VAL H 67 35.830 95.872 136.202 1.00 15.07 C +ATOM 14423 CG2 VAL H 67 37.813 95.036 137.475 1.00 14.01 C +HETATM14424 N MSE H 68 37.301 98.218 133.951 1.00 18.69 N +HETATM14425 CA MSE H 68 36.675 99.330 133.250 1.00 17.94 C +HETATM14426 C MSE H 68 35.156 99.368 133.468 1.00 19.13 C +HETATM14427 O MSE H 68 34.554 98.408 134.009 1.00 19.33 O +HETATM14428 CB MSE H 68 36.981 99.226 131.748 1.00 18.27 C +HETATM14429 CG MSE H 68 38.467 99.185 131.355 1.00 17.56 C +HETATM14430 SE MSE H 68 39.390 100.868 131.723 0.75 18.03 SE +HETATM14431 CE MSE H 68 38.659 101.860 130.252 1.00 18.13 C +ATOM 14432 N PRO H 69 34.519 100.489 133.087 1.00 19.44 N +ATOM 14433 CA PRO H 69 33.076 100.565 133.140 1.00 21.22 C +ATOM 14434 C PRO H 69 32.434 99.538 132.200 1.00 21.89 C +ATOM 14435 O PRO H 69 32.925 99.314 131.080 1.00 21.11 O +ATOM 14436 CB PRO H 69 32.787 102.006 132.671 1.00 20.49 C +ATOM 14437 CG PRO H 69 33.950 102.742 132.959 1.00 19.36 C +ATOM 14438 CD PRO H 69 35.089 101.776 132.668 1.00 19.38 C +ATOM 14439 N PRO H 70 31.381 98.878 132.660 1.00 22.22 N +ATOM 14440 CA PRO H 70 30.726 97.896 131.778 1.00 22.02 C +ATOM 14441 C PRO H 70 30.143 98.499 130.494 1.00 21.50 C +ATOM 14442 O PRO H 70 29.671 99.643 130.486 1.00 22.58 O +ATOM 14443 CB PRO H 70 29.627 97.276 132.653 1.00 22.07 C +ATOM 14444 CG PRO H 70 29.704 97.916 133.962 1.00 21.10 C +ATOM 14445 CD PRO H 70 30.784 98.944 134.001 1.00 21.69 C +ATOM 14446 N VAL H 71 30.214 97.744 129.401 1.00 20.89 N +ATOM 14447 CA VAL H 71 29.619 98.166 128.137 1.00 17.91 C +ATOM 14448 C VAL H 71 28.161 97.661 128.096 1.00 17.28 C +ATOM 14449 O VAL H 71 27.906 96.448 128.115 1.00 17.48 O +ATOM 14450 CB VAL H 71 30.405 97.620 126.959 1.00 18.75 C +ATOM 14451 CG1 VAL H 71 29.910 98.248 125.641 1.00 10.27 C +ATOM 14452 CG2 VAL H 71 31.923 97.877 127.152 1.00 14.59 C +ATOM 14453 N PRO H 72 27.179 98.582 128.056 1.00 17.05 N +ATOM 14454 CA PRO H 72 25.787 98.132 128.132 1.00 17.69 C +ATOM 14455 C PRO H 72 25.148 97.693 126.816 1.00 18.06 C +ATOM 14456 O PRO H 72 23.933 97.684 126.710 1.00 21.71 O +ATOM 14457 CB PRO H 72 25.087 99.385 128.682 1.00 20.43 C +ATOM 14458 CG PRO H 72 25.872 100.539 128.080 1.00 20.83 C +ATOM 14459 CD PRO H 72 27.294 100.059 128.066 1.00 15.65 C +ATOM 14460 N PHE H 73 25.952 97.348 125.813 1.00 17.81 N +ATOM 14461 CA PHE H 73 25.489 97.261 124.420 1.00 16.96 C +ATOM 14462 C PHE H 73 25.726 95.854 123.907 1.00 17.52 C +ATOM 14463 O PHE H 73 26.846 95.528 123.473 1.00 17.65 O +ATOM 14464 CB PHE H 73 26.230 98.261 123.559 1.00 18.21 C +ATOM 14465 CG PHE H 73 25.947 99.684 123.914 1.00 18.18 C +ATOM 14466 CD1 PHE H 73 24.677 100.201 123.787 1.00 23.21 C +ATOM 14467 CD2 PHE H 73 26.946 100.510 124.388 1.00 19.34 C +ATOM 14468 CE1 PHE H 73 24.405 101.507 124.133 1.00 22.17 C +ATOM 14469 CE2 PHE H 73 26.679 101.806 124.714 1.00 17.41 C +ATOM 14470 CZ PHE H 73 25.393 102.307 124.588 1.00 18.26 C +ATOM 14471 N GLY H 74 24.668 95.038 124.007 1.00 17.79 N +ATOM 14472 CA GLY H 74 24.681 93.613 123.650 1.00 17.70 C +ATOM 14473 C GLY H 74 23.951 93.294 122.353 1.00 17.04 C +ATOM 14474 O GLY H 74 23.209 94.122 121.823 1.00 16.06 O +ATOM 14475 N ALA H 75 24.203 92.085 121.848 1.00 16.86 N +ATOM 14476 CA ALA H 75 23.586 91.591 120.625 1.00 16.96 C +ATOM 14477 C ALA H 75 22.421 90.739 121.019 1.00 18.35 C +ATOM 14478 O ALA H 75 22.584 89.811 121.823 1.00 20.31 O +ATOM 14479 CB ALA H 75 24.581 90.777 119.799 1.00 14.97 C +ATOM 14480 N HIS H 76 21.249 91.018 120.442 1.00 19.40 N +ATOM 14481 CA HIS H 76 20.032 90.339 120.847 1.00 19.42 C +ATOM 14482 C HIS H 76 19.322 89.591 119.720 1.00 20.87 C +ATOM 14483 O HIS H 76 19.754 89.610 118.552 1.00 20.16 O +ATOM 14484 CB HIS H 76 19.106 91.332 121.565 1.00 18.74 C +ATOM 14485 CG HIS H 76 19.722 91.866 122.811 1.00 16.94 C +ATOM 14486 ND1 HIS H 76 19.901 91.091 123.936 1.00 22.18 N +ATOM 14487 CD2 HIS H 76 20.290 93.058 123.082 1.00 22.88 C +ATOM 14488 CE1 HIS H 76 20.520 91.797 124.854 1.00 21.09 C +ATOM 14489 NE2 HIS H 76 20.789 92.985 124.355 1.00 18.85 N +ATOM 14490 N ASN H 77 18.255 88.907 120.129 1.00 20.26 N +ATOM 14491 CA ASN H 77 17.588 87.916 119.326 1.00 20.79 C +ATOM 14492 C ASN H 77 16.289 88.445 118.812 1.00 21.84 C +ATOM 14493 O ASN H 77 15.780 89.447 119.328 1.00 22.43 O +ATOM 14494 CB ASN H 77 17.300 86.669 120.144 1.00 18.83 C +ATOM 14495 CG ASN H 77 18.508 85.776 120.334 1.00 20.85 C +ATOM 14496 OD1 ASN H 77 19.623 86.257 120.475 1.00 25.92 O +ATOM 14497 ND2 ASN H 77 18.268 84.461 120.437 1.00 18.73 N +ATOM 14498 N PRO H 78 15.743 87.777 117.788 1.00 22.91 N +ATOM 14499 CA PRO H 78 14.420 88.116 117.323 1.00 23.22 C +ATOM 14500 C PRO H 78 13.426 88.091 118.469 1.00 23.08 C +ATOM 14501 O PRO H 78 13.532 87.223 119.333 1.00 22.75 O +ATOM 14502 CB PRO H 78 14.108 86.983 116.341 1.00 24.07 C +ATOM 14503 CG PRO H 78 15.465 86.530 115.845 1.00 22.38 C +ATOM 14504 CD PRO H 78 16.322 86.636 117.033 1.00 22.70 C +ATOM 14505 N GLY H 79 12.495 89.053 118.474 1.00 22.51 N +ATOM 14506 CA GLY H 79 11.512 89.199 119.558 1.00 23.53 C +ATOM 14507 C GLY H 79 11.974 89.982 120.778 1.00 23.84 C +ATOM 14508 O GLY H 79 11.166 90.417 121.570 1.00 25.71 O +ATOM 14509 N GLN H 80 13.273 90.158 120.950 1.00 23.38 N +ATOM 14510 CA GLN H 80 13.766 90.875 122.124 1.00 23.71 C +ATOM 14511 C GLN H 80 13.723 92.398 121.927 1.00 24.50 C +ATOM 14512 O GLN H 80 13.436 93.161 122.861 1.00 24.68 O +ATOM 14513 CB GLN H 80 15.192 90.465 122.439 1.00 23.68 C +ATOM 14514 CG GLN H 80 15.382 89.085 123.012 1.00 21.99 C +ATOM 14515 CD GLN H 80 16.699 88.983 123.775 1.00 26.86 C +ATOM 14516 OE1 GLN H 80 17.781 88.837 123.181 1.00 29.68 O +ATOM 14517 NE2 GLN H 80 16.621 89.100 125.095 1.00 24.65 N +ATOM 14518 N ARG H 81 14.030 92.832 120.715 1.00 24.26 N +ATOM 14519 CA ARG H 81 14.107 94.234 120.394 1.00 26.32 C +ATOM 14520 C ARG H 81 12.801 94.970 120.611 1.00 26.34 C +ATOM 14521 O ARG H 81 12.800 96.172 120.843 1.00 27.23 O +ATOM 14522 CB ARG H 81 14.546 94.398 118.930 1.00 27.99 C +ATOM 14523 CG ARG H 81 14.925 95.830 118.537 1.00 30.06 C +ATOM 14524 CD ARG H 81 15.540 95.879 117.143 1.00 28.11 C +ATOM 14525 NE ARG H 81 14.577 95.420 116.138 1.00 36.78 N +ATOM 14526 CZ ARG H 81 14.686 95.659 114.835 1.00 35.99 C +ATOM 14527 NH1 ARG H 81 15.722 96.337 114.383 1.00 32.26 N +ATOM 14528 NH2 ARG H 81 13.759 95.223 113.992 1.00 37.12 N +ATOM 14529 N GLU H 82 11.685 94.256 120.516 1.00 26.87 N +ATOM 14530 CA GLU H 82 10.382 94.862 120.719 1.00 29.72 C +ATOM 14531 C GLU H 82 9.976 94.971 122.197 1.00 27.06 C +ATOM 14532 O GLU H 82 8.970 95.588 122.506 1.00 26.28 O +ATOM 14533 CB GLU H 82 9.330 94.071 119.943 1.00 31.88 C +ATOM 14534 CG GLU H 82 8.918 92.736 120.588 1.00 38.65 C +ATOM 14535 CD GLU H 82 8.269 91.743 119.588 1.00 41.78 C +ATOM 14536 OE1 GLU H 82 8.920 91.418 118.545 1.00 54.46 O +ATOM 14537 OE2 GLU H 82 7.125 91.289 119.877 1.00 51.13 O +ATOM 14538 N LEU H 83 10.720 94.349 123.108 1.00 24.97 N +ATOM 14539 CA LEU H 83 10.432 94.510 124.535 1.00 24.19 C +ATOM 14540 C LEU H 83 10.910 95.908 124.956 1.00 23.72 C +ATOM 14541 O LEU H 83 12.000 96.330 124.545 1.00 21.68 O +ATOM 14542 CB LEU H 83 11.138 93.429 125.362 1.00 25.13 C +ATOM 14543 CG LEU H 83 10.669 91.978 125.157 1.00 27.77 C +ATOM 14544 CD1 LEU H 83 11.616 90.977 125.826 1.00 24.77 C +ATOM 14545 CD2 LEU H 83 9.257 91.822 125.703 1.00 27.45 C +ATOM 14546 N PRO H 84 10.127 96.626 125.794 1.00 23.09 N +ATOM 14547 CA PRO H 84 10.534 98.006 126.085 1.00 22.82 C +ATOM 14548 C PRO H 84 11.957 98.112 126.687 1.00 21.67 C +ATOM 14549 O PRO H 84 12.292 97.397 127.612 1.00 21.12 O +ATOM 14550 CB PRO H 84 9.476 98.494 127.091 1.00 23.68 C +ATOM 14551 CG PRO H 84 8.834 97.238 127.645 1.00 25.30 C +ATOM 14552 CD PRO H 84 8.938 96.214 126.559 1.00 25.22 C +ATOM 14553 N PHE H 85 12.769 99.009 126.115 1.00 21.66 N +ATOM 14554 CA PHE H 85 14.086 99.401 126.625 1.00 20.76 C +ATOM 14555 C PHE H 85 15.175 98.385 126.361 1.00 20.93 C +ATOM 14556 O PHE H 85 16.331 98.608 126.754 1.00 22.04 O +ATOM 14557 CB PHE H 85 14.030 99.803 128.112 1.00 19.70 C +ATOM 14558 CG PHE H 85 12.901 100.734 128.416 1.00 22.00 C +ATOM 14559 CD1 PHE H 85 12.815 101.950 127.765 1.00 23.76 C +ATOM 14560 CD2 PHE H 85 11.893 100.368 129.301 1.00 16.75 C +ATOM 14561 CE1 PHE H 85 11.729 102.788 128.000 1.00 25.97 C +ATOM 14562 CE2 PHE H 85 10.826 101.196 129.540 1.00 25.13 C +ATOM 14563 CZ PHE H 85 10.730 102.401 128.895 1.00 21.16 C +ATOM 14564 N CYS H 86 14.846 97.309 125.645 1.00 20.90 N +ATOM 14565 CA CYS H 86 15.885 96.407 125.136 1.00 21.11 C +ATOM 14566 C CYS H 86 16.659 97.022 123.940 1.00 21.20 C +ATOM 14567 O CYS H 86 16.072 97.383 122.918 1.00 22.60 O +ATOM 14568 CB CYS H 86 15.243 95.085 124.731 1.00 22.06 C +ATOM 14569 SG CYS H 86 16.455 93.869 124.186 1.00 19.29 S +ATOM 14570 N ILE H 87 17.980 97.142 124.048 1.00 19.41 N +ATOM 14571 CA ILE H 87 18.749 97.830 122.986 1.00 19.47 C +ATOM 14572 C ILE H 87 19.593 96.824 122.208 1.00 18.35 C +ATOM 14573 O ILE H 87 20.573 96.374 122.718 1.00 18.52 O +ATOM 14574 CB ILE H 87 19.641 98.967 123.548 1.00 19.63 C +ATOM 14575 CG1 ILE H 87 18.793 100.013 124.289 1.00 23.09 C +ATOM 14576 CG2 ILE H 87 20.508 99.640 122.422 1.00 19.56 C +ATOM 14577 CD1 ILE H 87 17.792 100.793 123.412 1.00 15.09 C +ATOM 14578 N HIS H 88 19.185 96.466 120.989 1.00 18.23 N +ATOM 14579 CA HIS H 88 19.989 95.558 120.145 1.00 18.23 C +ATOM 14580 C HIS H 88 21.135 96.317 119.504 1.00 17.20 C +ATOM 14581 O HIS H 88 20.929 97.372 118.912 1.00 17.41 O +ATOM 14582 CB HIS H 88 19.174 94.877 119.041 1.00 16.79 C +ATOM 14583 CG HIS H 88 20.028 94.191 118.023 1.00 18.13 C +ATOM 14584 ND1 HIS H 88 20.744 93.043 118.304 1.00 21.58 N +ATOM 14585 CD2 HIS H 88 20.354 94.536 116.751 1.00 20.71 C +ATOM 14586 CE1 HIS H 88 21.449 92.697 117.242 1.00 22.32 C +ATOM 14587 NE2 HIS H 88 21.224 93.581 116.283 1.00 20.45 N +ATOM 14588 N THR H 89 22.341 95.784 119.654 1.00 17.77 N +ATOM 14589 CA THR H 89 23.569 96.390 119.125 1.00 17.16 C +ATOM 14590 C THR H 89 24.099 95.530 117.982 1.00 17.01 C +ATOM 14591 O THR H 89 24.373 94.335 118.177 1.00 17.09 O +ATOM 14592 CB THR H 89 24.697 96.482 120.211 1.00 16.39 C +ATOM 14593 OG1 THR H 89 24.133 96.931 121.445 1.00 19.49 O +ATOM 14594 CG2 THR H 89 25.791 97.467 119.798 1.00 12.69 C +ATOM 14595 N ARG H 90 24.279 96.148 116.810 1.00 14.88 N +ATOM 14596 CA ARG H 90 24.872 95.456 115.681 1.00 15.91 C +ATOM 14597 C ARG H 90 26.316 95.075 115.996 1.00 16.68 C +ATOM 14598 O ARG H 90 27.009 95.766 116.732 1.00 16.14 O +ATOM 14599 CB ARG H 90 24.849 96.317 114.416 1.00 17.75 C +ATOM 14600 CG ARG H 90 23.476 96.576 113.864 1.00 17.90 C +ATOM 14601 CD ARG H 90 23.562 97.549 112.754 1.00 20.79 C +ATOM 14602 NE ARG H 90 23.773 98.891 113.272 1.00 22.23 N +ATOM 14603 CZ ARG H 90 23.976 99.972 112.524 1.00 26.51 C +ATOM 14604 NH1 ARG H 90 24.025 99.877 111.203 1.00 30.20 N +ATOM 14605 NH2 ARG H 90 24.148 101.162 113.101 1.00 24.58 N +ATOM 14606 N TYR H 91 26.764 93.970 115.402 1.00 17.77 N +ATOM 14607 CA TYR H 91 28.138 93.523 115.539 1.00 17.20 C +ATOM 14608 C TYR H 91 29.117 94.647 115.150 1.00 15.60 C +ATOM 14609 O TYR H 91 30.146 94.840 115.802 1.00 17.01 O +ATOM 14610 CB TYR H 91 28.392 92.251 114.682 1.00 17.20 C +ATOM 14611 CG TYR H 91 29.756 91.555 114.949 1.00 18.35 C +ATOM 14612 CD1 TYR H 91 30.967 92.051 114.429 1.00 21.34 C +ATOM 14613 CD2 TYR H 91 29.814 90.401 115.704 1.00 25.16 C +ATOM 14614 CE1 TYR H 91 32.233 91.373 114.687 1.00 23.12 C +ATOM 14615 CE2 TYR H 91 31.026 89.741 115.971 1.00 21.42 C +ATOM 14616 CZ TYR H 91 32.228 90.226 115.465 1.00 23.45 C +ATOM 14617 OH TYR H 91 33.366 89.512 115.767 1.00 28.66 O +ATOM 14618 N ALA H 92 28.835 95.353 114.053 1.00 16.30 N +ATOM 14619 CA ALA H 92 29.742 96.380 113.588 1.00 15.90 C +ATOM 14620 C ALA H 92 29.860 97.515 114.613 1.00 15.57 C +ATOM 14621 O ALA H 92 30.935 98.090 114.781 1.00 15.78 O +ATOM 14622 CB ALA H 92 29.341 96.907 112.161 1.00 14.41 C +ATOM 14623 N THR H 93 28.779 97.803 115.327 1.00 15.90 N +ATOM 14624 CA THR H 93 28.781 98.799 116.403 1.00 14.62 C +ATOM 14625 C THR H 93 29.646 98.378 117.556 1.00 15.59 C +ATOM 14626 O THR H 93 30.450 99.168 118.051 1.00 15.73 O +ATOM 14627 CB THR H 93 27.378 99.053 116.950 1.00 14.34 C +ATOM 14628 OG1 THR H 93 26.522 99.441 115.875 1.00 17.01 O +ATOM 14629 CG2 THR H 93 27.411 100.193 117.975 1.00 11.45 C +ATOM 14630 N GLN H 94 29.481 97.133 117.985 1.00 16.48 N +ATOM 14631 CA GLN H 94 30.302 96.548 119.047 1.00 16.03 C +ATOM 14632 C GLN H 94 31.806 96.557 118.704 1.00 15.88 C +ATOM 14633 O GLN H 94 32.665 96.847 119.547 1.00 15.04 O +ATOM 14634 CB GLN H 94 29.842 95.123 119.320 1.00 14.07 C +ATOM 14635 CG GLN H 94 28.471 95.018 119.957 1.00 16.61 C +ATOM 14636 CD GLN H 94 28.109 93.573 120.253 1.00 19.46 C +ATOM 14637 OE1 GLN H 94 28.369 92.708 119.424 1.00 20.75 O +ATOM 14638 NE2 GLN H 94 27.504 93.298 121.444 1.00 15.32 N +ATOM 14639 N GLN H 95 32.107 96.189 117.462 1.00 17.05 N +ATOM 14640 CA GLN H 95 33.476 96.228 116.959 1.00 16.79 C +ATOM 14641 C GLN H 95 34.069 97.645 116.972 1.00 15.41 C +ATOM 14642 O GLN H 95 35.239 97.840 117.321 1.00 16.91 O +ATOM 14643 CB GLN H 95 33.549 95.632 115.547 1.00 16.27 C +ATOM 14644 CG GLN H 95 35.022 95.499 115.048 1.00 21.16 C +ATOM 14645 CD GLN H 95 35.130 94.844 113.675 1.00 27.64 C +ATOM 14646 OE1 GLN H 95 34.531 93.791 113.425 1.00 31.59 O +ATOM 14647 NE2 GLN H 95 35.900 95.480 112.772 1.00 37.60 N +ATOM 14648 N ALA H 96 33.281 98.635 116.576 1.00 16.14 N +ATOM 14649 CA ALA H 96 33.730 100.031 116.590 1.00 15.49 C +ATOM 14650 C ALA H 96 34.086 100.433 118.034 1.00 16.48 C +ATOM 14651 O ALA H 96 35.137 101.014 118.287 1.00 14.34 O +ATOM 14652 CB ALA H 96 32.669 100.964 115.949 1.00 16.18 C +ATOM 14653 N ILE H 97 33.256 100.023 118.984 1.00 15.82 N +ATOM 14654 CA ILE H 97 33.488 100.298 120.386 1.00 14.78 C +ATOM 14655 C ILE H 97 34.760 99.626 120.841 1.00 15.75 C +ATOM 14656 O ILE H 97 35.591 100.303 121.425 1.00 15.80 O +ATOM 14657 CB ILE H 97 32.314 99.809 121.284 1.00 16.44 C +ATOM 14658 CG1 ILE H 97 31.067 100.677 121.079 1.00 15.21 C +ATOM 14659 CG2 ILE H 97 32.734 99.763 122.768 1.00 15.35 C +ATOM 14660 CD1 ILE H 97 29.766 100.080 121.701 1.00 10.43 C +ATOM 14661 N LEU H 98 34.908 98.304 120.604 1.00 16.20 N +ATOM 14662 CA LEU H 98 36.134 97.590 121.014 1.00 16.67 C +ATOM 14663 C LEU H 98 37.405 98.198 120.390 1.00 17.22 C +ATOM 14664 O LEU H 98 38.392 98.391 121.093 1.00 17.49 O +ATOM 14665 CB LEU H 98 36.078 96.091 120.735 1.00 17.79 C +ATOM 14666 CG LEU H 98 37.265 95.284 121.288 1.00 16.53 C +ATOM 14667 CD1 LEU H 98 37.486 95.590 122.793 1.00 13.73 C +ATOM 14668 CD2 LEU H 98 37.090 93.794 121.059 1.00 14.21 C +ATOM 14669 N GLU H 99 37.340 98.535 119.096 1.00 17.82 N +ATOM 14670 CA GLU H 99 38.411 99.275 118.409 1.00 17.95 C +ATOM 14671 C GLU H 99 38.778 100.569 119.098 1.00 17.71 C +ATOM 14672 O GLU H 99 39.962 100.859 119.203 1.00 17.58 O +ATOM 14673 CB GLU H 99 38.073 99.601 116.957 1.00 18.13 C +ATOM 14674 CG GLU H 99 38.100 98.396 116.050 1.00 21.59 C +ATOM 14675 CD GLU H 99 37.477 98.620 114.639 1.00 22.25 C +ATOM 14676 OE1 GLU H 99 36.859 99.668 114.305 1.00 21.06 O +ATOM 14677 OE2 GLU H 99 37.630 97.677 113.863 1.00 28.22 O +ATOM 14678 N ASP H 100 37.798 101.348 119.565 1.00 16.50 N +ATOM 14679 CA ASP H 100 38.108 102.622 120.240 1.00 17.08 C +ATOM 14680 C ASP H 100 38.734 102.400 121.633 1.00 17.77 C +ATOM 14681 O ASP H 100 39.677 103.088 121.998 1.00 17.76 O +ATOM 14682 CB ASP H 100 36.890 103.555 120.293 1.00 17.71 C +ATOM 14683 CG ASP H 100 36.514 104.124 118.899 1.00 22.43 C +ATOM 14684 OD1 ASP H 100 37.361 104.012 117.989 1.00 20.61 O +ATOM 14685 OD2 ASP H 100 35.401 104.682 118.724 1.00 20.19 O +ATOM 14686 N ILE H 101 38.203 101.425 122.383 1.00 17.53 N +ATOM 14687 CA ILE H 101 38.765 101.055 123.672 1.00 15.81 C +ATOM 14688 C ILE H 101 40.204 100.557 123.494 1.00 16.72 C +ATOM 14689 O ILE H 101 41.095 101.035 124.163 1.00 17.80 O +ATOM 14690 CB ILE H 101 37.904 100.003 124.403 1.00 14.64 C +ATOM 14691 CG1 ILE H 101 36.533 100.573 124.770 1.00 17.79 C +ATOM 14692 CG2 ILE H 101 38.553 99.540 125.716 1.00 13.14 C +ATOM 14693 CD1 ILE H 101 35.531 99.512 125.244 1.00 11.14 C +ATOM 14694 N VAL H 102 40.449 99.624 122.573 1.00 17.22 N +ATOM 14695 CA VAL H 102 41.818 99.112 122.350 1.00 17.17 C +ATOM 14696 C VAL H 102 42.784 100.183 121.892 1.00 17.94 C +ATOM 14697 O VAL H 102 43.946 100.229 122.349 1.00 18.83 O +ATOM 14698 CB VAL H 102 41.818 97.864 121.374 1.00 16.92 C +ATOM 14699 CG1 VAL H 102 43.219 97.472 120.932 1.00 12.75 C +ATOM 14700 CG2 VAL H 102 41.147 96.699 122.082 1.00 12.32 C +ATOM 14701 N SER H 103 42.329 101.033 120.971 1.00 17.18 N +ATOM 14702 CA SER H 103 43.160 102.149 120.485 1.00 19.27 C +ATOM 14703 C SER H 103 43.666 103.059 121.639 1.00 18.74 C +ATOM 14704 O SER H 103 44.871 103.333 121.753 1.00 19.04 O +ATOM 14705 CB SER H 103 42.389 102.973 119.463 1.00 16.16 C +ATOM 14706 OG SER H 103 43.151 104.076 119.070 1.00 23.52 O +ATOM 14707 N SER H 104 42.756 103.484 122.512 1.00 18.15 N +ATOM 14708 CA SER H 104 43.160 104.297 123.663 1.00 17.96 C +ATOM 14709 C SER H 104 44.105 103.531 124.626 1.00 17.44 C +ATOM 14710 O SER H 104 45.174 104.029 124.990 1.00 18.09 O +ATOM 14711 CB SER H 104 41.924 104.807 124.403 1.00 18.90 C +ATOM 14712 OG SER H 104 41.144 105.649 123.561 1.00 21.48 O +ATOM 14713 N LEU H 105 43.717 102.325 125.035 1.00 17.61 N +ATOM 14714 CA LEU H 105 44.493 101.550 126.004 1.00 17.28 C +ATOM 14715 C LEU H 105 45.885 101.309 125.487 1.00 18.68 C +ATOM 14716 O LEU H 105 46.817 101.293 126.250 1.00 18.58 O +ATOM 14717 CB LEU H 105 43.816 100.206 126.305 1.00 18.07 C +ATOM 14718 CG LEU H 105 42.500 100.275 127.069 1.00 19.92 C +ATOM 14719 CD1 LEU H 105 41.846 98.900 127.091 1.00 17.97 C +ATOM 14720 CD2 LEU H 105 42.662 100.863 128.471 1.00 17.94 C +ATOM 14721 N HIS H 106 46.008 101.125 124.168 1.00 19.92 N +ATOM 14722 CA HIS H 106 47.289 100.900 123.534 1.00 21.30 C +ATOM 14723 C HIS H 106 48.196 102.122 123.577 1.00 21.19 C +ATOM 14724 O HIS H 106 49.386 101.976 123.888 1.00 22.79 O +ATOM 14725 CB HIS H 106 47.090 100.429 122.099 1.00 21.41 C +ATOM 14726 CG HIS H 106 48.331 99.877 121.487 1.00 22.41 C +ATOM 14727 ND1 HIS H 106 49.252 100.677 120.857 1.00 22.28 N +ATOM 14728 CD2 HIS H 106 48.832 98.624 121.452 1.00 22.53 C +ATOM 14729 CE1 HIS H 106 50.255 99.934 120.433 1.00 27.94 C +ATOM 14730 NE2 HIS H 106 50.018 98.683 120.767 1.00 21.94 N +ATOM 14731 N VAL H 107 47.655 103.314 123.272 1.00 21.63 N +ATOM 14732 CA AVAL H 107 48.408 104.570 123.372 0.50 21.91 C +ATOM 14733 CA BVAL H 107 48.460 104.527 123.351 0.50 22.15 C +ATOM 14734 C VAL H 107 48.874 104.794 124.811 1.00 22.28 C +ATOM 14735 O VAL H 107 49.926 105.375 125.056 1.00 22.36 O +ATOM 14736 CB AVAL H 107 47.564 105.792 122.921 0.50 21.63 C +ATOM 14737 CB BVAL H 107 47.785 105.760 122.662 0.50 21.49 C +ATOM 14738 CG1AVAL H 107 48.270 107.119 123.273 0.50 17.06 C +ATOM 14739 CG1BVAL H 107 47.533 105.458 121.208 0.50 23.81 C +ATOM 14740 CG2AVAL H 107 47.273 105.712 121.446 0.50 21.29 C +ATOM 14741 CG2BVAL H 107 46.484 106.167 123.342 0.50 18.60 C +ATOM 14742 N GLN H 108 48.072 104.316 125.767 1.00 22.03 N +ATOM 14743 CA GLN H 108 48.398 104.430 127.197 1.00 21.52 C +ATOM 14744 C GLN H 108 49.470 103.456 127.704 1.00 22.99 C +ATOM 14745 O GLN H 108 49.913 103.548 128.843 1.00 23.53 O +ATOM 14746 CB GLN H 108 47.139 104.265 128.013 1.00 20.37 C +ATOM 14747 CG GLN H 108 46.167 105.418 127.801 1.00 19.51 C +ATOM 14748 CD GLN H 108 44.763 105.026 128.058 1.00 18.99 C +ATOM 14749 OE1 GLN H 108 44.511 104.045 128.767 1.00 21.91 O +ATOM 14750 NE2 GLN H 108 43.810 105.785 127.486 1.00 17.63 N +ATOM 14751 N GLY H 109 49.863 102.512 126.870 1.00 22.90 N +ATOM 14752 CA GLY H 109 50.938 101.593 127.190 1.00 22.02 C +ATOM 14753 C GLY H 109 50.455 100.215 127.585 1.00 21.92 C +ATOM 14754 O GLY H 109 51.258 99.336 127.850 1.00 21.66 O +ATOM 14755 N PHE H 110 49.149 100.004 127.602 1.00 21.07 N +ATOM 14756 CA PHE H 110 48.615 98.724 128.034 1.00 19.69 C +ATOM 14757 C PHE H 110 48.668 97.739 126.878 1.00 20.19 C +ATOM 14758 O PHE H 110 48.595 98.147 125.747 1.00 20.70 O +ATOM 14759 CB PHE H 110 47.195 98.882 128.587 1.00 20.88 C +ATOM 14760 CG PHE H 110 47.134 99.779 129.778 1.00 18.43 C +ATOM 14761 CD1 PHE H 110 47.824 99.450 130.942 1.00 22.85 C +ATOM 14762 CD2 PHE H 110 46.419 100.953 129.745 1.00 17.70 C +ATOM 14763 CE1 PHE H 110 47.794 100.306 132.055 1.00 21.67 C +ATOM 14764 CE2 PHE H 110 46.374 101.780 130.846 1.00 19.39 C +ATOM 14765 CZ PHE H 110 47.085 101.472 131.995 1.00 19.37 C +ATOM 14766 N ARG H 111 48.837 96.453 127.205 1.00 19.88 N +ATOM 14767 CA ARG H 111 49.046 95.372 126.236 1.00 21.40 C +ATOM 14768 C ARG H 111 48.280 94.097 126.544 1.00 20.49 C +ATOM 14769 O ARG H 111 48.380 93.129 125.813 1.00 20.35 O +ATOM 14770 CB ARG H 111 50.541 95.018 126.140 1.00 20.60 C +ATOM 14771 CG ARG H 111 51.437 96.143 125.689 1.00 20.29 C +ATOM 14772 CD ARG H 111 51.102 96.534 124.252 1.00 20.89 C +ATOM 14773 NE ARG H 111 51.977 97.603 123.795 1.00 25.61 N +ATOM 14774 CZ ARG H 111 51.710 98.908 123.850 1.00 23.24 C +ATOM 14775 NH1 ARG H 111 50.554 99.337 124.318 1.00 20.12 N +ATOM 14776 NH2 ARG H 111 52.605 99.789 123.400 1.00 22.17 N +ATOM 14777 N LYS H 112 47.494 94.096 127.607 1.00 19.97 N +ATOM 14778 CA LYS H 112 46.773 92.904 128.039 1.00 20.39 C +ATOM 14779 C LYS H 112 45.367 93.256 128.485 1.00 19.42 C +ATOM 14780 O LYS H 112 45.194 94.055 129.385 1.00 19.14 O +ATOM 14781 CB LYS H 112 47.544 92.227 129.173 1.00 20.88 C +ATOM 14782 CG LYS H 112 48.935 91.712 128.731 1.00 24.68 C +ATOM 14783 CD LYS H 112 49.820 91.417 129.883 1.00 34.80 C +ATOM 14784 CE LYS H 112 51.153 90.849 129.423 1.00 40.23 C +ATOM 14785 NZ LYS H 112 51.935 90.301 130.570 1.00 42.06 N +ATOM 14786 N LEU H 113 44.388 92.645 127.850 1.00 18.54 N +ATOM 14787 CA LEU H 113 42.978 92.939 128.093 1.00 18.54 C +ATOM 14788 C LEU H 113 42.162 91.638 128.137 1.00 17.90 C +ATOM 14789 O LEU H 113 42.375 90.735 127.333 1.00 18.78 O +ATOM 14790 CB LEU H 113 42.436 93.865 127.014 1.00 18.94 C +ATOM 14791 CG LEU H 113 40.939 94.179 126.993 1.00 15.24 C +ATOM 14792 CD1 LEU H 113 40.531 95.132 128.119 1.00 9.97 C +ATOM 14793 CD2 LEU H 113 40.656 94.758 125.609 1.00 21.52 C +ATOM 14794 N LEU H 114 41.270 91.546 129.118 1.00 17.76 N +ATOM 14795 CA LEU H 114 40.270 90.498 129.165 1.00 17.34 C +ATOM 14796 C LEU H 114 38.898 91.112 129.002 1.00 17.50 C +ATOM 14797 O LEU H 114 38.531 92.022 129.755 1.00 18.60 O +ATOM 14798 CB LEU H 114 40.322 89.711 130.480 1.00 16.42 C +ATOM 14799 CG LEU H 114 39.152 88.731 130.688 1.00 19.55 C +ATOM 14800 CD1 LEU H 114 39.302 87.477 129.820 1.00 15.47 C +ATOM 14801 CD2 LEU H 114 39.019 88.340 132.101 1.00 16.77 C +ATOM 14802 N ILE H 115 38.132 90.590 128.042 1.00 17.21 N +ATOM 14803 CA ILE H 115 36.710 90.909 127.927 1.00 17.41 C +ATOM 14804 C ILE H 115 35.909 89.902 128.740 1.00 18.28 C +ATOM 14805 O ILE H 115 35.924 88.707 128.435 1.00 18.30 O +ATOM 14806 CB ILE H 115 36.223 90.911 126.447 1.00 17.91 C +ATOM 14807 CG1 ILE H 115 37.129 91.816 125.572 1.00 13.74 C +ATOM 14808 CG2 ILE H 115 34.741 91.317 126.389 1.00 12.70 C +ATOM 14809 CD1 ILE H 115 36.822 91.756 124.072 1.00 16.45 C +ATOM 14810 N LEU H 116 35.258 90.364 129.806 1.00 17.33 N +ATOM 14811 CA LEU H 116 34.424 89.506 130.619 1.00 16.80 C +ATOM 14812 C LEU H 116 32.980 89.804 130.352 1.00 17.24 C +ATOM 14813 O LEU H 116 32.446 90.798 130.842 1.00 17.64 O +ATOM 14814 CB LEU H 116 34.693 89.688 132.101 1.00 15.98 C +ATOM 14815 CG LEU H 116 34.076 88.622 133.018 1.00 17.65 C +ATOM 14816 CD1 LEU H 116 34.624 87.234 132.651 1.00 8.92 C +ATOM 14817 CD2 LEU H 116 34.336 88.954 134.495 1.00 14.48 C +ATOM 14818 N SER H 117 32.336 88.909 129.609 1.00 17.96 N +ATOM 14819 CA SER H 117 30.989 89.133 129.151 1.00 18.38 C +ATOM 14820 C SER H 117 29.923 88.533 130.105 1.00 20.22 C +ATOM 14821 O SER H 117 30.114 87.481 130.715 1.00 20.53 O +ATOM 14822 CB SER H 117 30.861 88.592 127.734 1.00 15.49 C +ATOM 14823 OG SER H 117 29.545 88.651 127.241 1.00 15.68 O +ATOM 14824 N GLY H 118 28.813 89.251 130.238 1.00 20.64 N +ATOM 14825 CA GLY H 118 27.677 88.816 131.027 1.00 20.56 C +ATOM 14826 C GLY H 118 26.540 88.382 130.147 1.00 20.08 C +ATOM 14827 O GLY H 118 25.475 88.013 130.647 1.00 21.27 O +ATOM 14828 N HIS H 119 26.747 88.457 128.838 1.00 19.56 N +ATOM 14829 CA HIS H 119 25.692 88.204 127.876 1.00 20.95 C +ATOM 14830 C HIS H 119 26.172 87.219 126.809 1.00 22.39 C +ATOM 14831 O HIS H 119 27.129 87.485 126.065 1.00 23.98 O +ATOM 14832 CB HIS H 119 25.214 89.520 127.281 1.00 17.71 C +ATOM 14833 CG HIS H 119 24.177 89.364 126.224 1.00 18.46 C +ATOM 14834 ND1 HIS H 119 22.963 88.777 126.459 1.00 18.48 N +ATOM 14835 CD2 HIS H 119 24.173 89.715 124.917 1.00 22.74 C +ATOM 14836 CE1 HIS H 119 22.250 88.772 125.352 1.00 21.02 C +ATOM 14837 NE2 HIS H 119 22.961 89.344 124.399 1.00 21.42 N +ATOM 14838 N GLY H 120 25.527 86.064 126.763 1.00 22.53 N +ATOM 14839 CA GLY H 120 25.903 84.993 125.848 1.00 23.18 C +ATOM 14840 C GLY H 120 25.713 85.290 124.371 1.00 23.58 C +ATOM 14841 O GLY H 120 26.379 84.692 123.533 1.00 24.71 O +ATOM 14842 N GLY H 121 24.787 86.194 124.061 1.00 23.67 N +ATOM 14843 CA GLY H 121 24.614 86.725 122.731 1.00 22.54 C +ATOM 14844 C GLY H 121 25.778 87.549 122.225 1.00 22.98 C +ATOM 14845 O GLY H 121 25.876 87.809 121.015 1.00 23.26 O +ATOM 14846 N ASN H 122 26.662 87.995 123.112 1.00 22.38 N +ATOM 14847 CA ASN H 122 27.883 88.646 122.663 1.00 21.82 C +ATOM 14848 C ASN H 122 28.887 87.611 122.208 1.00 22.26 C +ATOM 14849 O ASN H 122 29.109 86.599 122.894 1.00 21.73 O +ATOM 14850 CB ASN H 122 28.524 89.506 123.748 1.00 21.64 C +ATOM 14851 CG ASN H 122 27.650 90.652 124.169 1.00 19.62 C +ATOM 14852 OD1 ASN H 122 26.862 91.174 123.381 1.00 15.46 O +ATOM 14853 ND2 ASN H 122 27.765 91.033 125.410 1.00 13.65 N +ATOM 14854 N ASN H 123 29.491 87.894 121.052 1.00 21.36 N +ATOM 14855 CA ASN H 123 30.539 87.051 120.474 1.00 22.61 C +ATOM 14856 C ASN H 123 31.676 87.954 120.032 1.00 20.65 C +ATOM 14857 O ASN H 123 31.443 88.911 119.321 1.00 21.02 O +ATOM 14858 CB ASN H 123 29.964 86.280 119.293 1.00 25.20 C +ATOM 14859 CG ASN H 123 28.995 85.179 119.719 1.00 30.14 C +ATOM 14860 OD1 ASN H 123 29.424 84.101 120.125 1.00 37.97 O +ATOM 14861 ND2 ASN H 123 27.677 85.441 119.600 1.00 31.04 N +ATOM 14862 N PHE H 124 32.882 87.661 120.511 1.00 20.05 N +ATOM 14863 CA PHE H 124 34.073 88.523 120.348 1.00 19.09 C +ATOM 14864 C PHE H 124 35.256 87.908 119.582 1.00 18.74 C +ATOM 14865 O PHE H 124 36.260 88.573 119.372 1.00 19.14 O +ATOM 14866 CB PHE H 124 34.592 88.942 121.736 1.00 19.36 C +ATOM 14867 CG PHE H 124 33.604 89.744 122.523 1.00 18.97 C +ATOM 14868 CD1 PHE H 124 33.386 91.059 122.217 1.00 17.41 C +ATOM 14869 CD2 PHE H 124 32.847 89.147 123.536 1.00 16.46 C +ATOM 14870 CE1 PHE H 124 32.421 91.807 122.927 1.00 19.14 C +ATOM 14871 CE2 PHE H 124 31.907 89.860 124.237 1.00 18.04 C +ATOM 14872 CZ PHE H 124 31.676 91.197 123.939 1.00 16.46 C +ATOM 14873 N LYS H 125 35.148 86.656 119.161 1.00 18.91 N +ATOM 14874 CA LYS H 125 36.286 85.966 118.529 1.00 18.99 C +ATOM 14875 C LYS H 125 36.750 86.625 117.206 1.00 18.66 C +ATOM 14876 O LYS H 125 37.942 86.842 116.993 1.00 20.26 O +ATOM 14877 CB LYS H 125 35.954 84.479 118.299 1.00 20.25 C +ATOM 14878 CG LYS H 125 35.671 83.681 119.564 1.00 19.25 C +ATOM 14879 CD LYS H 125 35.490 82.166 119.269 1.00 22.16 C +ATOM 14880 CE LYS H 125 35.483 81.373 120.555 1.00 26.21 C +ATOM 14881 NZ LYS H 125 35.434 79.915 120.313 1.00 31.89 N +ATOM 14882 N GLY H 126 35.807 86.934 116.333 1.00 17.60 N +ATOM 14883 CA GLY H 126 36.072 87.665 115.086 1.00 18.14 C +ATOM 14884 C GLY H 126 36.747 89.026 115.303 1.00 19.43 C +ATOM 14885 O GLY H 126 37.729 89.313 114.660 1.00 17.80 O +HETATM14886 N MSE H 127 36.266 89.813 116.270 1.00 19.50 N +HETATM14887 CA MSE H 127 36.860 91.114 116.619 1.00 19.38 C +HETATM14888 C MSE H 127 38.265 90.953 117.140 1.00 18.25 C +HETATM14889 O MSE H 127 39.171 91.717 116.789 1.00 17.49 O +HETATM14890 CB MSE H 127 36.063 91.813 117.737 1.00 21.41 C +HETATM14891 CG MSE H 127 34.597 91.990 117.464 1.00 23.30 C +HETATM14892 SE MSE H 127 33.689 92.941 118.873 0.75 19.01 SE +HETATM14893 CE MSE H 127 31.869 92.400 118.423 1.00 13.92 C +ATOM 14894 N ILE H 128 38.448 89.977 118.014 1.00 18.22 N +ATOM 14895 CA ILE H 128 39.761 89.677 118.539 1.00 18.24 C +ATOM 14896 C ILE H 128 40.743 89.239 117.447 1.00 18.01 C +ATOM 14897 O ILE H 128 41.908 89.635 117.457 1.00 17.98 O +ATOM 14898 CB ILE H 128 39.692 88.595 119.641 1.00 17.78 C +ATOM 14899 CG1 ILE H 128 39.088 89.188 120.922 1.00 20.75 C +ATOM 14900 CG2 ILE H 128 41.055 88.005 119.869 1.00 14.39 C +ATOM 14901 CD1 ILE H 128 38.681 88.166 121.940 1.00 18.05 C +ATOM 14902 N ARG H 129 40.292 88.398 116.523 1.00 18.38 N +ATOM 14903 CA ARG H 129 41.142 87.973 115.405 1.00 18.49 C +ATOM 14904 C ARG H 129 41.604 89.180 114.554 1.00 19.26 C +ATOM 14905 O ARG H 129 42.777 89.299 114.180 1.00 19.84 O +ATOM 14906 CB ARG H 129 40.388 86.987 114.504 1.00 19.36 C +ATOM 14907 CG ARG H 129 40.303 85.590 115.064 1.00 20.29 C +ATOM 14908 CD ARG H 129 39.820 84.563 114.018 1.00 20.75 C +ATOM 14909 NE ARG H 129 40.140 83.217 114.485 1.00 21.79 N +ATOM 14910 CZ ARG H 129 39.355 82.442 115.226 1.00 21.33 C +ATOM 14911 NH1 ARG H 129 38.118 82.792 115.538 1.00 26.26 N +ATOM 14912 NH2 ARG H 129 39.793 81.251 115.594 1.00 22.90 N +ATOM 14913 N ASP H 130 40.647 90.039 114.239 1.00 18.98 N +ATOM 14914 CA ASP H 130 40.884 91.218 113.410 1.00 19.13 C +ATOM 14915 C ASP H 130 41.773 92.217 114.110 1.00 19.58 C +ATOM 14916 O ASP H 130 42.662 92.788 113.479 1.00 20.72 O +ATOM 14917 CB ASP H 130 39.562 91.837 112.984 1.00 19.35 C +ATOM 14918 CG ASP H 130 38.833 91.002 111.913 1.00 23.83 C +ATOM 14919 OD1 ASP H 130 39.455 90.107 111.302 1.00 23.37 O +ATOM 14920 OD2 ASP H 130 37.644 91.269 111.652 1.00 22.99 O +ATOM 14921 N LEU H 131 41.585 92.394 115.420 1.00 19.48 N +ATOM 14922 CA LEU H 131 42.471 93.256 116.186 1.00 19.99 C +ATOM 14923 C LEU H 131 43.870 92.659 116.426 1.00 20.45 C +ATOM 14924 O LEU H 131 44.802 93.405 116.649 1.00 20.63 O +ATOM 14925 CB LEU H 131 41.847 93.647 117.527 1.00 18.45 C +ATOM 14926 CG LEU H 131 40.692 94.638 117.477 1.00 22.43 C +ATOM 14927 CD1 LEU H 131 39.777 94.444 118.706 1.00 22.55 C +ATOM 14928 CD2 LEU H 131 41.214 96.086 117.365 1.00 16.75 C +ATOM 14929 N ALA H 132 44.014 91.329 116.398 1.00 21.22 N +ATOM 14930 CA ALA H 132 45.352 90.717 116.537 1.00 21.75 C +ATOM 14931 C ALA H 132 46.275 91.111 115.407 1.00 21.89 C +ATOM 14932 O ALA H 132 47.499 91.211 115.585 1.00 24.16 O +ATOM 14933 CB ALA H 132 45.286 89.188 116.662 1.00 15.10 C +ATOM 14934 N PHE H 133 45.698 91.330 114.244 1.00 24.03 N +ATOM 14935 CA PHE H 133 46.440 91.814 113.097 1.00 25.36 C +ATOM 14936 C PHE H 133 46.724 93.334 113.153 1.00 26.10 C +ATOM 14937 O PHE H 133 47.798 93.749 112.785 1.00 27.04 O +ATOM 14938 CB PHE H 133 45.706 91.378 111.810 1.00 26.68 C +ATOM 14939 CG PHE H 133 45.699 89.857 111.585 1.00 27.48 C +ATOM 14940 CD1 PHE H 133 46.888 89.132 111.562 1.00 26.74 C +ATOM 14941 CD2 PHE H 133 44.509 89.172 111.393 1.00 26.73 C +ATOM 14942 CE1 PHE H 133 46.878 87.744 111.355 1.00 27.62 C +ATOM 14943 CE2 PHE H 133 44.488 87.804 111.187 1.00 23.32 C +ATOM 14944 CZ PHE H 133 45.679 87.087 111.161 1.00 26.93 C +ATOM 14945 N GLU H 134 45.802 94.152 113.677 1.00 26.97 N +ATOM 14946 CA AGLU H 134 46.008 95.610 113.816 0.50 26.64 C +ATOM 14947 CA BGLU H 134 46.074 95.590 113.771 0.50 26.50 C +ATOM 14948 C GLU H 134 47.014 95.920 114.920 1.00 25.91 C +ATOM 14949 O GLU H 134 47.833 96.827 114.787 1.00 25.03 O +ATOM 14950 CB AGLU H 134 44.705 96.350 114.179 0.50 26.46 C +ATOM 14951 CB BGLU H 134 44.792 96.413 113.886 0.50 26.67 C +ATOM 14952 CG AGLU H 134 43.545 96.245 113.190 0.50 32.72 C +ATOM 14953 CG BGLU H 134 44.022 96.507 112.582 0.50 35.25 C +ATOM 14954 CD AGLU H 134 42.329 97.112 113.578 0.50 30.04 C +ATOM 14955 CD BGLU H 134 44.784 97.241 111.507 0.50 34.35 C +ATOM 14956 OE1AGLU H 134 42.502 98.292 113.978 0.50 30.62 O +ATOM 14957 OE1BGLU H 134 45.055 98.440 111.701 0.50 35.49 O +ATOM 14958 OE2AGLU H 134 41.192 96.608 113.467 0.50 34.08 O +ATOM 14959 OE2BGLU H 134 45.110 96.617 110.472 0.50 41.32 O +ATOM 14960 N TYR H 135 46.899 95.174 116.024 1.00 23.51 N +ATOM 14961 CA TYR H 135 47.704 95.370 117.241 1.00 22.35 C +ATOM 14962 C TYR H 135 48.309 94.046 117.667 1.00 22.96 C +ATOM 14963 O TYR H 135 47.814 93.387 118.590 1.00 20.80 O +ATOM 14964 CB TYR H 135 46.862 95.918 118.393 1.00 22.24 C +ATOM 14965 CG TYR H 135 46.135 97.190 118.109 1.00 20.66 C +ATOM 14966 CD1 TYR H 135 46.713 98.415 118.409 1.00 23.59 C +ATOM 14967 CD2 TYR H 135 44.863 97.181 117.532 1.00 21.02 C +ATOM 14968 CE1 TYR H 135 46.048 99.600 118.168 1.00 23.84 C +ATOM 14969 CE2 TYR H 135 44.191 98.376 117.264 1.00 22.65 C +ATOM 14970 CZ TYR H 135 44.790 99.585 117.612 1.00 25.43 C +ATOM 14971 OH TYR H 135 44.166 100.796 117.364 1.00 22.65 O +ATOM 14972 N PRO H 136 49.383 93.637 116.985 1.00 24.48 N +ATOM 14973 CA PRO H 136 49.989 92.339 117.239 1.00 25.74 C +ATOM 14974 C PRO H 136 50.654 92.181 118.603 1.00 25.73 C +ATOM 14975 O PRO H 136 50.895 91.068 119.030 1.00 26.79 O +ATOM 14976 CB PRO H 136 51.021 92.202 116.104 1.00 26.88 C +ATOM 14977 CG PRO H 136 51.285 93.590 115.667 1.00 27.45 C +ATOM 14978 CD PRO H 136 50.028 94.349 115.875 1.00 25.30 C +ATOM 14979 N ASP H 137 50.943 93.286 119.265 1.00 25.73 N +ATOM 14980 CA ASP H 137 51.561 93.272 120.589 1.00 25.93 C +ATOM 14981 C ASP H 137 50.537 93.388 121.721 1.00 24.19 C +ATOM 14982 O ASP H 137 50.929 93.540 122.856 1.00 23.82 O +ATOM 14983 CB ASP H 137 52.603 94.416 120.714 1.00 27.38 C +ATOM 14984 CG ASP H 137 51.987 95.826 120.508 1.00 31.96 C +ATOM 14985 OD1 ASP H 137 50.857 95.940 119.987 1.00 32.50 O +ATOM 14986 OD2 ASP H 137 52.662 96.837 120.827 1.00 44.16 O +ATOM 14987 N PHE H 138 49.244 93.296 121.425 1.00 23.38 N +ATOM 14988 CA PHE H 138 48.162 93.583 122.400 1.00 21.14 C +ATOM 14989 C PHE H 138 47.361 92.328 122.517 1.00 20.70 C +ATOM 14990 O PHE H 138 46.750 91.940 121.564 1.00 21.73 O +ATOM 14991 CB PHE H 138 47.288 94.742 121.907 1.00 22.67 C +ATOM 14992 CG PHE H 138 46.350 95.322 122.950 1.00 21.53 C +ATOM 14993 CD1 PHE H 138 45.205 94.658 123.337 1.00 29.82 C +ATOM 14994 CD2 PHE H 138 46.580 96.569 123.495 1.00 26.47 C +ATOM 14995 CE1 PHE H 138 44.342 95.206 124.296 1.00 29.21 C +ATOM 14996 CE2 PHE H 138 45.710 97.117 124.435 1.00 24.60 C +ATOM 14997 CZ PHE H 138 44.603 96.436 124.835 1.00 23.62 C +ATOM 14998 N LEU H 139 47.399 91.687 123.680 1.00 20.90 N +ATOM 14999 CA LEU H 139 46.739 90.413 123.935 1.00 21.43 C +ATOM 15000 C LEU H 139 45.310 90.677 124.412 1.00 21.19 C +ATOM 15001 O LEU H 139 45.108 91.365 125.402 1.00 21.52 O +ATOM 15002 CB LEU H 139 47.501 89.592 124.994 1.00 20.76 C +ATOM 15003 CG LEU H 139 46.877 88.272 125.527 1.00 23.38 C +ATOM 15004 CD1 LEU H 139 46.673 87.255 124.410 1.00 21.85 C +ATOM 15005 CD2 LEU H 139 47.655 87.676 126.690 1.00 18.70 C +ATOM 15006 N ILE H 140 44.337 90.133 123.685 1.00 19.88 N +ATOM 15007 CA ILE H 140 42.920 90.227 124.074 1.00 19.27 C +ATOM 15008 C ILE H 140 42.424 88.795 124.271 1.00 19.28 C +ATOM 15009 O ILE H 140 42.576 87.980 123.368 1.00 18.70 O +ATOM 15010 CB ILE H 140 42.034 90.981 123.035 1.00 17.61 C +ATOM 15011 CG1 ILE H 140 42.700 92.306 122.609 1.00 19.20 C +ATOM 15012 CG2 ILE H 140 40.603 91.215 123.631 1.00 18.13 C +ATOM 15013 CD1 ILE H 140 41.945 93.161 121.558 1.00 13.96 C +ATOM 15014 N ALA H 141 41.920 88.505 125.481 1.00 19.02 N +ATOM 15015 CA ALA H 141 41.184 87.279 125.796 1.00 18.47 C +ATOM 15016 C ALA H 141 39.702 87.600 126.059 1.00 18.20 C +ATOM 15017 O ALA H 141 39.359 88.739 126.415 1.00 18.42 O +ATOM 15018 CB ALA H 141 41.796 86.621 127.015 1.00 14.37 C +ATOM 15019 N ALA H 142 38.828 86.610 125.873 1.00 17.58 N +ATOM 15020 CA ALA H 142 37.395 86.779 126.135 1.00 18.11 C +ATOM 15021 C ALA H 142 36.858 85.591 126.897 1.00 19.00 C +ATOM 15022 O ALA H 142 37.230 84.462 126.613 1.00 18.82 O +ATOM 15023 CB ALA H 142 36.582 86.951 124.811 1.00 15.67 C +ATOM 15024 N ALA H 143 35.957 85.856 127.850 1.00 19.83 N +ATOM 15025 CA ALA H 143 35.194 84.802 128.534 1.00 20.41 C +ATOM 15026 C ALA H 143 33.802 85.306 128.940 1.00 20.51 C +ATOM 15027 O ALA H 143 33.627 86.497 129.240 1.00 19.48 O +ATOM 15028 CB ALA H 143 35.921 84.361 129.739 1.00 18.34 C +ATOM 15029 N ASN H 144 32.829 84.396 128.931 1.00 20.52 N +ATOM 15030 CA ASN H 144 31.575 84.567 129.646 1.00 21.58 C +ATOM 15031 C ASN H 144 31.791 84.163 131.121 1.00 21.22 C +ATOM 15032 O ASN H 144 32.278 83.067 131.403 1.00 20.90 O +ATOM 15033 CB ASN H 144 30.481 83.686 129.034 1.00 21.37 C +ATOM 15034 CG ASN H 144 30.013 84.167 127.689 1.00 27.59 C +ATOM 15035 OD1 ASN H 144 29.670 85.332 127.522 1.00 28.33 O +ATOM 15036 ND2 ASN H 144 29.970 83.260 126.712 1.00 21.63 N +ATOM 15037 N TRP H 145 31.434 85.033 132.062 1.00 19.84 N +ATOM 15038 CA TRP H 145 31.717 84.731 133.486 1.00 20.54 C +ATOM 15039 C TRP H 145 31.049 83.407 133.911 1.00 20.40 C +ATOM 15040 O TRP H 145 31.604 82.652 134.696 1.00 20.49 O +ATOM 15041 CB TRP H 145 31.294 85.907 134.413 1.00 19.15 C +ATOM 15042 CG TRP H 145 29.825 86.093 134.532 1.00 17.52 C +ATOM 15043 CD1 TRP H 145 29.053 86.942 133.822 1.00 18.78 C +ATOM 15044 CD2 TRP H 145 28.951 85.401 135.433 1.00 18.09 C +ATOM 15045 NE1 TRP H 145 27.734 86.820 134.211 1.00 20.44 N +ATOM 15046 CE2 TRP H 145 27.656 85.883 135.209 1.00 16.93 C +ATOM 15047 CE3 TRP H 145 29.150 84.404 136.402 1.00 20.76 C +ATOM 15048 CZ2 TRP H 145 26.555 85.399 135.903 1.00 19.61 C +ATOM 15049 CZ3 TRP H 145 28.104 83.967 137.113 1.00 19.25 C +ATOM 15050 CH2 TRP H 145 26.787 84.448 136.853 1.00 23.16 C +ATOM 15051 N PHE H 146 29.863 83.144 133.354 1.00 21.57 N +ATOM 15052 CA PHE H 146 29.025 82.001 133.716 1.00 21.20 C +ATOM 15053 C PHE H 146 29.453 80.721 132.994 1.00 21.89 C +ATOM 15054 O PHE H 146 28.776 79.693 133.124 1.00 23.29 O +ATOM 15055 CB PHE H 146 27.535 82.283 133.404 1.00 21.88 C +ATOM 15056 CG PHE H 146 27.302 82.746 132.006 1.00 23.43 C +ATOM 15057 CD1 PHE H 146 27.176 81.828 130.965 1.00 24.59 C +ATOM 15058 CD2 PHE H 146 27.225 84.110 131.717 1.00 25.09 C +ATOM 15059 CE1 PHE H 146 26.988 82.265 129.641 1.00 26.21 C +ATOM 15060 CE2 PHE H 146 27.062 84.544 130.405 1.00 26.24 C +ATOM 15061 CZ PHE H 146 26.934 83.615 129.367 1.00 26.07 C +ATOM 15062 N GLU H 147 30.535 80.795 132.218 1.00 21.71 N +ATOM 15063 CA GLU H 147 31.164 79.604 131.629 1.00 21.71 C +ATOM 15064 C GLU H 147 32.500 79.291 132.283 1.00 22.19 C +ATOM 15065 O GLU H 147 33.022 78.226 132.048 1.00 23.81 O +ATOM 15066 CB GLU H 147 31.355 79.763 130.114 1.00 21.38 C +ATOM 15067 CG GLU H 147 30.087 79.599 129.314 1.00 20.15 C +ATOM 15068 CD GLU H 147 30.198 79.994 127.845 1.00 25.90 C +ATOM 15069 OE1 GLU H 147 31.208 80.622 127.405 1.00 25.41 O +ATOM 15070 OE2 GLU H 147 29.225 79.698 127.127 1.00 30.73 O +ATOM 15071 N VAL H 148 33.029 80.171 133.147 1.00 23.10 N +ATOM 15072 CA VAL H 148 34.295 79.878 133.883 1.00 22.46 C +ATOM 15073 C VAL H 148 34.153 78.586 134.769 1.00 24.03 C +ATOM 15074 O VAL H 148 35.074 77.763 134.854 1.00 22.14 O +ATOM 15075 CB VAL H 148 34.737 81.119 134.750 1.00 23.93 C +ATOM 15076 CG1 VAL H 148 35.982 80.822 135.574 1.00 19.78 C +ATOM 15077 CG2 VAL H 148 34.957 82.383 133.872 1.00 19.14 C +ATOM 15078 N VAL H 149 32.987 78.457 135.429 1.00 23.11 N +ATOM 15079 CA VAL H 149 32.600 77.261 136.201 1.00 22.93 C +ATOM 15080 C VAL H 149 31.179 76.968 135.771 1.00 24.01 C +ATOM 15081 O VAL H 149 30.348 77.879 135.733 1.00 23.56 O +ATOM 15082 CB VAL H 149 32.679 77.527 137.725 1.00 21.96 C +ATOM 15083 CG1 VAL H 149 32.139 76.327 138.566 1.00 22.17 C +ATOM 15084 CG2 VAL H 149 34.107 77.874 138.098 1.00 19.54 C +ATOM 15085 N SER H 150 30.908 75.721 135.411 1.00 26.75 N +ATOM 15086 CA SER H 150 29.563 75.310 135.010 1.00 29.02 C +ATOM 15087 C SER H 150 28.587 75.495 136.149 1.00 29.38 C +ATOM 15088 O SER H 150 28.899 75.174 137.275 1.00 30.03 O +ATOM 15089 CB SER H 150 29.525 73.858 134.572 1.00 29.54 C +ATOM 15090 OG SER H 150 28.209 73.557 134.155 1.00 33.73 O +ATOM 15091 N PRO H 151 27.406 76.045 135.868 1.00 31.35 N +ATOM 15092 CA PRO H 151 26.417 76.168 136.921 1.00 32.57 C +ATOM 15093 C PRO H 151 25.699 74.907 137.239 1.00 34.01 C +ATOM 15094 O PRO H 151 25.028 74.846 138.265 1.00 34.08 O +ATOM 15095 CB PRO H 151 25.410 77.166 136.343 1.00 32.55 C +ATOM 15096 CG PRO H 151 25.515 76.962 134.826 1.00 33.12 C +ATOM 15097 CD PRO H 151 26.942 76.638 134.593 1.00 31.92 C +ATOM 15098 N ALYS H 152 25.818 73.901 136.367 0.50 30.93 N +ATOM 15099 N BLYS H 152 25.825 73.919 136.366 0.50 33.20 N +ATOM 15100 CA ALYS H 152 25.038 72.642 136.476 0.50 30.04 C +ATOM 15101 CA BLYS H 152 25.229 72.617 136.609 0.50 33.70 C +ATOM 15102 C ALYS H 152 25.012 72.022 137.872 0.50 26.39 C +ATOM 15103 C BLYS H 152 25.955 72.027 137.820 0.50 31.91 C +ATOM 15104 O ALYS H 152 23.967 71.536 138.313 0.50 23.74 O +ATOM 15105 O BLYS H 152 27.182 71.959 137.861 0.50 32.65 O +ATOM 15106 CB ALYS H 152 25.536 71.590 135.462 0.50 29.23 C +ATOM 15107 CB BLYS H 152 25.325 71.759 135.337 0.50 33.84 C +ATOM 15108 CG ALYS H 152 24.819 71.638 134.099 0.50 33.74 C +ATOM 15109 CG BLYS H 152 24.574 72.409 134.127 0.50 33.67 C +ATOM 15110 CD ALYS H 152 25.145 70.413 133.235 0.50 32.39 C +ATOM 15111 CD BLYS H 152 25.108 71.952 132.770 0.50 35.51 C +ATOM 15112 CE ALYS H 152 23.908 69.847 132.544 0.50 39.22 C +ATOM 15113 CE BLYS H 152 24.593 72.853 131.619 0.50 40.45 C +ATOM 15114 NZ ALYS H 152 23.105 70.885 131.810 0.50 38.53 N +ATOM 15115 NZ BLYS H 152 23.120 72.714 131.372 0.50 38.49 N +ATOM 15116 N AGLY H 153 26.159 72.047 138.551 0.50 25.30 N +ATOM 15117 N BGLY H 153 25.196 71.685 138.849 0.50 30.24 N +ATOM 15118 CA AGLY H 153 26.282 71.438 139.868 0.50 26.52 C +ATOM 15119 CA BGLY H 153 25.814 71.261 140.095 0.50 30.01 C +ATOM 15120 C AGLY H 153 26.202 72.388 141.053 0.50 26.30 C +ATOM 15121 C BGLY H 153 25.793 72.304 141.194 0.50 28.08 C +ATOM 15122 O AGLY H 153 26.709 72.057 142.108 0.50 26.56 O +ATOM 15123 O BGLY H 153 25.887 71.954 142.354 0.50 28.61 O +ATOM 15124 N TYR H 154 25.624 73.578 140.842 1.00 28.42 N +ATOM 15125 CA TYR H 154 25.470 74.640 141.851 1.00 26.26 C +ATOM 15126 C TYR H 154 23.994 75.048 142.033 1.00 24.85 C +ATOM 15127 O TYR H 154 23.639 75.689 143.029 1.00 26.08 O +ATOM 15128 CB TYR H 154 26.339 75.867 141.467 1.00 24.77 C +ATOM 15129 CG TYR H 154 27.806 75.631 141.706 1.00 22.24 C +ATOM 15130 CD1 TYR H 154 28.398 75.967 142.919 1.00 20.58 C +ATOM 15131 CD2 TYR H 154 28.595 75.011 140.744 1.00 24.87 C +ATOM 15132 CE1 TYR H 154 29.713 75.720 143.153 1.00 21.46 C +ATOM 15133 CE2 TYR H 154 29.950 74.734 140.983 1.00 22.18 C +ATOM 15134 CZ TYR H 154 30.497 75.095 142.178 1.00 22.84 C +ATOM 15135 OH TYR H 154 31.844 74.840 142.394 1.00 24.04 O +ATOM 15136 N PHE H 155 23.153 74.674 141.074 1.00 24.84 N +ATOM 15137 CA PHE H 155 21.735 75.081 141.024 1.00 26.52 C +ATOM 15138 C PHE H 155 20.843 73.908 140.690 1.00 29.16 C +ATOM 15139 O PHE H 155 21.294 72.964 140.057 1.00 31.03 O +ATOM 15140 CB PHE H 155 21.558 76.210 139.991 1.00 25.31 C +ATOM 15141 CG PHE H 155 22.431 77.355 140.276 1.00 22.60 C +ATOM 15142 CD1 PHE H 155 22.187 78.167 141.393 1.00 19.63 C +ATOM 15143 CD2 PHE H 155 23.583 77.559 139.543 1.00 24.54 C +ATOM 15144 CE1 PHE H 155 23.070 79.200 141.749 1.00 17.09 C +ATOM 15145 CE2 PHE H 155 24.451 78.597 139.873 1.00 22.16 C +ATOM 15146 CZ PHE H 155 24.188 79.416 140.977 1.00 22.34 C +ATOM 15147 N GLU H 156 19.586 73.971 141.125 1.00 31.23 N +ATOM 15148 CA GLU H 156 18.645 72.852 141.012 1.00 29.45 C +ATOM 15149 C GLU H 156 17.892 72.817 139.679 1.00 33.70 C +ATOM 15150 O GLU H 156 17.768 71.763 139.081 1.00 34.51 O +ATOM 15151 CB GLU H 156 17.641 72.864 142.176 1.00 27.85 C +ATOM 15152 CG GLU H 156 18.294 72.551 143.549 1.00 28.21 C +ATOM 15153 CD GLU H 156 17.351 72.765 144.740 1.00 26.93 C +ATOM 15154 OE1 GLU H 156 16.461 71.922 144.959 1.00 36.81 O +ATOM 15155 OE2 GLU H 156 17.530 73.758 145.478 1.00 35.00 O +ATOM 15156 N ALA H 157 17.392 73.960 139.222 1.00 34.62 N +ATOM 15157 CA ALA H 157 16.613 74.018 137.983 1.00 34.66 C +ATOM 15158 C ALA H 157 17.431 73.455 136.807 1.00 35.60 C +ATOM 15159 O ALA H 157 18.599 73.803 136.615 1.00 35.34 O +ATOM 15160 CB ALA H 157 16.153 75.441 137.692 1.00 33.36 C +ATOM 15161 N GLU H 158 16.805 72.567 136.046 1.00 37.64 N +ATOM 15162 CA GLU H 158 17.467 71.902 134.910 1.00 41.02 C +ATOM 15163 C GLU H 158 17.602 72.852 133.730 1.00 37.86 C +ATOM 15164 O GLU H 158 18.652 72.907 133.121 1.00 38.18 O +ATOM 15165 CB GLU H 158 16.738 70.602 134.508 1.00 41.35 C +ATOM 15166 CG GLU H 158 17.405 69.322 135.081 1.00 48.71 C +ATOM 15167 CD GLU H 158 16.470 68.083 135.099 1.00 49.17 C +ATOM 15168 OE1 GLU H 158 15.426 68.093 134.394 1.00 62.60 O +ATOM 15169 OE2 GLU H 158 16.784 67.103 135.826 1.00 53.32 O +ATOM 15170 N ILE H 159 16.540 73.594 133.425 1.00 35.29 N +ATOM 15171 CA ILE H 159 16.611 74.706 132.486 1.00 34.05 C +ATOM 15172 C ILE H 159 16.961 75.986 133.235 1.00 32.50 C +ATOM 15173 O ILE H 159 16.244 76.384 134.164 1.00 30.50 O +ATOM 15174 CB ILE H 159 15.280 74.907 131.743 1.00 34.83 C +ATOM 15175 CG1 ILE H 159 14.898 73.638 130.972 1.00 35.46 C +ATOM 15176 CG2 ILE H 159 15.356 76.113 130.780 1.00 31.72 C +ATOM 15177 CD1 ILE H 159 13.434 73.688 130.484 1.00 36.16 C +ATOM 15178 N ASP H 160 18.027 76.646 132.785 1.00 31.16 N +ATOM 15179 CA ASP H 160 18.600 77.790 133.476 1.00 32.45 C +ATOM 15180 C ASP H 160 19.472 78.593 132.508 1.00 31.89 C +ATOM 15181 O ASP H 160 20.679 78.643 132.688 1.00 32.70 O +ATOM 15182 CB ASP H 160 19.416 77.266 134.682 1.00 32.48 C +ATOM 15183 CG ASP H 160 19.928 78.368 135.597 1.00 34.95 C +ATOM 15184 OD1 ASP H 160 19.294 79.428 135.654 1.00 36.84 O +ATOM 15185 OD2 ASP H 160 20.978 78.175 136.263 1.00 39.38 O +ATOM 15186 N ASP H 161 18.862 79.212 131.486 1.00 31.47 N +ATOM 15187 CA ASP H 161 19.616 79.911 130.409 1.00 30.55 C +ATOM 15188 C ASP H 161 19.640 81.429 130.517 1.00 29.62 C +ATOM 15189 O ASP H 161 20.643 82.042 130.129 1.00 30.54 O +ATOM 15190 CB ASP H 161 19.080 79.527 129.026 1.00 30.62 C +ATOM 15191 CG ASP H 161 19.352 78.072 128.683 1.00 37.02 C +ATOM 15192 OD1 ASP H 161 20.422 77.530 129.091 1.00 44.87 O +ATOM 15193 OD2 ASP H 161 18.491 77.464 128.012 1.00 46.73 O +ATOM 15194 N HIS H 162 18.560 82.032 131.029 1.00 26.08 N +ATOM 15195 CA HIS H 162 18.455 83.498 131.091 1.00 23.60 C +ATOM 15196 C HIS H 162 17.517 83.913 132.207 1.00 22.21 C +ATOM 15197 O HIS H 162 16.326 83.566 132.191 1.00 20.57 O +ATOM 15198 CB HIS H 162 17.949 84.052 129.746 1.00 24.29 C +ATOM 15199 CG HIS H 162 17.663 85.525 129.755 1.00 22.64 C +ATOM 15200 ND1 HIS H 162 18.655 86.474 129.749 1.00 23.31 N +ATOM 15201 CD2 HIS H 162 16.496 86.208 129.752 1.00 22.87 C +ATOM 15202 CE1 HIS H 162 18.115 87.677 129.730 1.00 26.62 C +ATOM 15203 NE2 HIS H 162 16.806 87.547 129.734 1.00 18.61 N +ATOM 15204 N ALA H 163 18.057 84.658 133.176 1.00 21.40 N +ATOM 15205 CA ALA H 163 17.299 85.197 134.312 1.00 21.70 C +ATOM 15206 C ALA H 163 16.718 84.087 135.143 1.00 23.22 C +ATOM 15207 O ALA H 163 15.675 84.255 135.753 1.00 23.42 O +ATOM 15208 CB ALA H 163 16.197 86.102 133.838 1.00 19.22 C +ATOM 15209 N GLY H 164 17.397 82.951 135.167 1.00 23.45 N +ATOM 15210 CA GLY H 164 16.941 81.799 135.918 1.00 23.79 C +ATOM 15211 C GLY H 164 17.572 81.731 137.296 1.00 23.50 C +ATOM 15212 O GLY H 164 17.958 82.761 137.879 1.00 23.62 O +ATOM 15213 N GLU H 165 17.723 80.504 137.788 1.00 22.89 N +ATOM 15214 CA GLU H 165 18.211 80.247 139.136 1.00 22.88 C +ATOM 15215 C GLU H 165 19.639 80.751 139.365 1.00 22.22 C +ATOM 15216 O GLU H 165 19.892 81.353 140.377 1.00 22.93 O +ATOM 15217 CB GLU H 165 18.087 78.753 139.493 1.00 22.46 C +ATOM 15218 CG GLU H 165 18.264 78.450 140.974 1.00 22.17 C +ATOM 15219 CD GLU H 165 18.127 76.974 141.317 1.00 23.43 C +ATOM 15220 OE1 GLU H 165 17.189 76.299 140.828 1.00 24.00 O +ATOM 15221 OE2 GLU H 165 18.949 76.473 142.102 1.00 19.81 O +ATOM 15222 N SER H 166 20.552 80.554 138.415 1.00 22.66 N +ATOM 15223 CA SER H 166 21.938 80.980 138.568 1.00 22.83 C +ATOM 15224 C SER H 166 22.117 82.510 138.601 1.00 22.80 C +ATOM 15225 O SER H 166 22.715 83.031 139.526 1.00 24.54 O +ATOM 15226 CB SER H 166 22.788 80.401 137.435 1.00 24.29 C +ATOM 15227 OG SER H 166 22.199 80.649 136.171 1.00 27.80 O +ATOM 15228 N GLU H 167 21.623 83.205 137.583 1.00 23.19 N +ATOM 15229 CA GLU H 167 21.709 84.675 137.529 1.00 22.86 C +ATOM 15230 C GLU H 167 20.958 85.309 138.691 1.00 21.01 C +ATOM 15231 O GLU H 167 21.442 86.258 139.271 1.00 20.49 O +ATOM 15232 CB GLU H 167 21.181 85.259 136.198 1.00 21.33 C +ATOM 15233 CG GLU H 167 22.197 85.436 135.136 1.00 22.26 C +ATOM 15234 CD GLU H 167 21.697 86.175 133.915 1.00 23.80 C +ATOM 15235 OE1 GLU H 167 20.514 86.040 133.535 1.00 24.66 O +ATOM 15236 OE2 GLU H 167 22.505 86.896 133.296 1.00 20.92 O +ATOM 15237 N THR H 168 19.764 84.803 139.010 1.00 20.35 N +ATOM 15238 CA THR H 168 19.022 85.322 140.141 1.00 20.04 C +ATOM 15239 C THR H 168 19.796 85.185 141.473 1.00 20.37 C +ATOM 15240 O THR H 168 19.901 86.140 142.246 1.00 21.22 O +ATOM 15241 CB THR H 168 17.592 84.701 140.215 1.00 21.32 C +ATOM 15242 OG1 THR H 168 16.907 84.913 138.975 1.00 16.11 O +ATOM 15243 CG2 THR H 168 16.773 85.341 141.314 1.00 18.05 C +ATOM 15244 N SER H 169 20.358 84.014 141.723 1.00 20.53 N +ATOM 15245 CA SER H 169 21.159 83.754 142.932 1.00 20.23 C +ATOM 15246 C SER H 169 22.355 84.712 143.044 1.00 21.03 C +ATOM 15247 O SER H 169 22.595 85.299 144.087 1.00 20.46 O +ATOM 15248 CB SER H 169 21.685 82.325 142.928 1.00 18.52 C +ATOM 15249 OG SER H 169 20.638 81.373 142.965 1.00 22.06 O +ATOM 15250 N VAL H 170 23.100 84.854 141.953 1.00 20.99 N +ATOM 15251 CA VAL H 170 24.266 85.700 141.941 1.00 19.84 C +ATOM 15252 C VAL H 170 23.875 87.179 142.135 1.00 20.13 C +ATOM 15253 O VAL H 170 24.583 87.910 142.829 1.00 21.82 O +ATOM 15254 CB VAL H 170 25.166 85.449 140.684 1.00 18.90 C +ATOM 15255 CG1 VAL H 170 26.343 86.397 140.644 1.00 13.84 C +ATOM 15256 CG2 VAL H 170 25.671 84.020 140.682 1.00 15.27 C +HETATM15257 N MSE H 171 22.750 87.608 141.572 1.00 19.53 N +HETATM15258 CA MSE H 171 22.257 88.956 141.849 1.00 20.28 C +HETATM15259 C MSE H 171 21.856 89.087 143.316 1.00 21.02 C +HETATM15260 O MSE H 171 22.180 90.081 143.944 1.00 21.34 O +HETATM15261 CB MSE H 171 21.087 89.343 140.939 1.00 18.41 C +HETATM15262 CG MSE H 171 20.640 90.796 141.088 1.00 20.84 C +HETATM15263 SE MSE H 171 21.980 92.107 140.565 0.75 21.05 SE +HETATM15264 CE MSE H 171 22.061 91.878 138.652 1.00 12.38 C +HETATM15265 N MSE H 172 21.172 88.084 143.874 1.00 21.74 N +HETATM15266 CA MSE H 172 20.737 88.139 145.271 1.00 21.80 C +HETATM15267 C MSE H 172 21.934 88.254 146.212 1.00 22.31 C +HETATM15268 O MSE H 172 21.876 88.923 147.259 1.00 23.12 O +HETATM15269 CB MSE H 172 19.887 86.925 145.602 1.00 21.55 C +HETATM15270 CG MSE H 172 18.518 86.964 145.030 1.00 23.99 C +HETATM15271 SE MSE H 172 17.546 85.276 145.327 0.75 20.22 SE +HETATM15272 CE MSE H 172 17.232 85.600 147.279 1.00 18.20 C +ATOM 15273 N HIS H 173 23.042 87.640 145.811 1.00 21.85 N +ATOM 15274 CA HIS H 173 24.287 87.726 146.553 1.00 21.48 C +ATOM 15275 C HIS H 173 24.915 89.126 146.490 1.00 22.94 C +ATOM 15276 O HIS H 173 25.205 89.732 147.535 1.00 22.74 O +ATOM 15277 CB HIS H 173 25.275 86.663 146.058 1.00 21.95 C +ATOM 15278 CG HIS H 173 26.666 86.856 146.569 1.00 23.36 C +ATOM 15279 ND1 HIS H 173 26.974 86.847 147.916 1.00 23.44 N +ATOM 15280 CD2 HIS H 173 27.835 87.052 145.917 1.00 23.11 C +ATOM 15281 CE1 HIS H 173 28.265 87.081 148.068 1.00 24.87 C +ATOM 15282 NE2 HIS H 173 28.811 87.203 146.871 1.00 21.36 N +ATOM 15283 N TYR H 174 25.080 89.647 145.274 1.00 22.37 N +ATOM 15284 CA TYR H 174 25.810 90.882 145.058 1.00 21.62 C +ATOM 15285 C TYR H 174 24.977 92.114 145.325 1.00 20.60 C +ATOM 15286 O TYR H 174 25.494 93.073 145.853 1.00 18.80 O +ATOM 15287 CB TYR H 174 26.395 90.974 143.630 1.00 20.98 C +ATOM 15288 CG TYR H 174 27.699 90.215 143.416 1.00 19.34 C +ATOM 15289 CD1 TYR H 174 28.812 90.455 144.201 1.00 23.45 C +ATOM 15290 CD2 TYR H 174 27.821 89.277 142.401 1.00 18.45 C +ATOM 15291 CE1 TYR H 174 29.999 89.767 144.003 1.00 18.90 C +ATOM 15292 CE2 TYR H 174 29.010 88.579 142.208 1.00 20.38 C +ATOM 15293 CZ TYR H 174 30.090 88.822 143.019 1.00 21.98 C +ATOM 15294 OH TYR H 174 31.267 88.131 142.805 1.00 18.73 O +ATOM 15295 N HIS H 175 23.711 92.101 144.898 1.00 21.83 N +ATOM 15296 CA HIS H 175 22.820 93.253 145.084 1.00 22.07 C +ATOM 15297 C HIS H 175 21.423 92.840 145.459 1.00 22.90 C +ATOM 15298 O HIS H 175 20.526 92.982 144.652 1.00 23.22 O +ATOM 15299 CB HIS H 175 22.740 94.056 143.800 1.00 22.64 C +ATOM 15300 CG HIS H 175 24.007 94.744 143.456 1.00 23.83 C +ATOM 15301 ND1 HIS H 175 24.396 95.919 144.066 1.00 26.47 N +ATOM 15302 CD2 HIS H 175 24.991 94.418 142.583 1.00 23.02 C +ATOM 15303 CE1 HIS H 175 25.578 96.274 143.597 1.00 28.83 C +ATOM 15304 NE2 HIS H 175 25.955 95.391 142.688 1.00 24.23 N +ATOM 15305 N PRO H 176 21.210 92.385 146.706 1.00 24.79 N +ATOM 15306 CA PRO H 176 19.865 91.912 147.069 1.00 26.08 C +ATOM 15307 C PRO H 176 18.787 92.991 146.917 1.00 26.13 C +ATOM 15308 O PRO H 176 17.604 92.676 146.758 1.00 27.68 O +ATOM 15309 CB PRO H 176 20.006 91.476 148.533 1.00 25.76 C +ATOM 15310 CG PRO H 176 21.334 91.993 148.995 1.00 26.03 C +ATOM 15311 CD PRO H 176 22.175 92.297 147.819 1.00 25.08 C +ATOM 15312 N GLU H 177 19.199 94.248 146.995 1.00 27.25 N +ATOM 15313 CA GLU H 177 18.292 95.385 146.892 1.00 27.52 C +ATOM 15314 C GLU H 177 17.768 95.630 145.495 1.00 27.50 C +ATOM 15315 O GLU H 177 16.874 96.445 145.320 1.00 27.18 O +ATOM 15316 CB GLU H 177 18.983 96.673 147.405 1.00 27.42 C +ATOM 15317 CG GLU H 177 19.993 97.386 146.449 1.00 31.00 C +ATOM 15318 CD GLU H 177 21.378 96.724 146.352 1.00 33.78 C +ATOM 15319 OE1 GLU H 177 21.660 95.777 147.114 1.00 29.63 O +ATOM 15320 OE2 GLU H 177 22.203 97.169 145.507 1.00 36.42 O +ATOM 15321 N LEU H 178 18.362 94.983 144.487 1.00 26.92 N +ATOM 15322 CA LEU H 178 17.959 95.166 143.103 1.00 25.54 C +ATOM 15323 C LEU H 178 17.037 94.065 142.604 1.00 26.85 C +ATOM 15324 O LEU H 178 16.536 94.147 141.476 1.00 28.49 O +ATOM 15325 CB LEU H 178 19.184 95.259 142.186 1.00 25.95 C +ATOM 15326 CG LEU H 178 19.992 96.547 142.232 1.00 24.67 C +ATOM 15327 CD1 LEU H 178 21.154 96.498 141.272 1.00 21.65 C +ATOM 15328 CD2 LEU H 178 19.084 97.736 141.938 1.00 25.70 C +ATOM 15329 N VAL H 179 16.807 93.037 143.414 1.00 27.02 N +ATOM 15330 CA VAL H 179 15.978 91.925 142.993 1.00 26.76 C +ATOM 15331 C VAL H 179 15.037 91.503 144.120 1.00 28.27 C +ATOM 15332 O VAL H 179 15.470 91.343 145.269 1.00 28.31 O +ATOM 15333 CB VAL H 179 16.826 90.727 142.479 1.00 28.43 C +ATOM 15334 CG1 VAL H 179 18.045 90.444 143.378 1.00 23.13 C +ATOM 15335 CG2 VAL H 179 15.935 89.483 142.287 1.00 26.37 C +ATOM 15336 N ASN H 180 13.755 91.346 143.769 1.00 29.15 N +ATOM 15337 CA ASN H 180 12.742 90.752 144.642 1.00 28.80 C +ATOM 15338 C ASN H 180 12.246 89.431 144.019 1.00 27.48 C +ATOM 15339 O ASN H 180 11.403 89.436 143.114 1.00 26.41 O +ATOM 15340 CB ASN H 180 11.543 91.704 144.814 1.00 29.45 C +ATOM 15341 CG ASN H 180 11.935 93.109 145.331 1.00 35.42 C +ATOM 15342 OD1 ASN H 180 12.937 93.285 146.033 1.00 38.23 O +ATOM 15343 ND2 ASN H 180 11.105 94.110 144.999 1.00 36.19 N +ATOM 15344 N LEU H 181 12.760 88.319 144.517 1.00 26.88 N +ATOM 15345 CA LEU H 181 12.488 86.993 143.959 1.00 27.13 C +ATOM 15346 C LEU H 181 10.998 86.675 143.791 1.00 27.06 C +ATOM 15347 O LEU H 181 10.625 86.004 142.847 1.00 26.63 O +ATOM 15348 CB LEU H 181 13.144 85.928 144.851 1.00 27.90 C +ATOM 15349 CG LEU H 181 12.975 84.428 144.534 1.00 29.92 C +ATOM 15350 CD1 LEU H 181 13.402 84.085 143.079 1.00 26.31 C +ATOM 15351 CD2 LEU H 181 13.750 83.574 145.556 1.00 24.89 C +ATOM 15352 N ALA H 182 10.153 87.171 144.689 1.00 27.99 N +ATOM 15353 CA ALA H 182 8.707 86.864 144.633 1.00 28.86 C +ATOM 15354 C ALA H 182 8.006 87.522 143.443 1.00 29.73 C +ATOM 15355 O ALA H 182 6.911 87.144 143.119 1.00 29.97 O +ATOM 15356 CB ALA H 182 8.026 87.252 145.946 1.00 29.18 C +ATOM 15357 N GLU H 183 8.652 88.490 142.783 1.00 30.51 N +ATOM 15358 CA GLU H 183 8.133 89.095 141.554 1.00 31.31 C +ATOM 15359 C GLU H 183 8.373 88.275 140.264 1.00 27.99 C +ATOM 15360 O GLU H 183 7.822 88.597 139.209 1.00 26.95 O +ATOM 15361 CB GLU H 183 8.777 90.469 141.368 1.00 31.24 C +ATOM 15362 CG GLU H 183 8.552 91.407 142.503 1.00 33.88 C +ATOM 15363 CD GLU H 183 9.122 92.787 142.252 1.00 37.99 C +ATOM 15364 OE1 GLU H 183 9.705 93.020 141.165 1.00 39.65 O +ATOM 15365 OE2 GLU H 183 8.999 93.635 143.167 1.00 42.99 O +ATOM 15366 N ALA H 184 9.202 87.242 140.352 1.00 26.27 N +ATOM 15367 CA ALA H 184 9.624 86.467 139.191 1.00 25.40 C +ATOM 15368 C ALA H 184 8.452 85.653 138.675 1.00 26.37 C +ATOM 15369 O ALA H 184 7.681 85.096 139.469 1.00 26.90 O +ATOM 15370 CB ALA H 184 10.803 85.516 139.578 1.00 19.98 C +ATOM 15371 N GLY H 185 8.315 85.578 137.354 1.00 26.11 N +ATOM 15372 CA GLY H 185 7.442 84.582 136.718 1.00 24.63 C +ATOM 15373 C GLY H 185 8.190 83.261 136.622 1.00 25.22 C +ATOM 15374 O GLY H 185 9.373 83.169 136.995 1.00 24.35 O +ATOM 15375 N ASP H 186 7.526 82.232 136.103 1.00 26.16 N +ATOM 15376 CA ASP H 186 8.119 80.902 136.074 1.00 25.50 C +ATOM 15377 C ASP H 186 9.181 80.706 134.975 1.00 26.89 C +ATOM 15378 O ASP H 186 9.847 79.685 134.979 1.00 26.55 O +ATOM 15379 CB ASP H 186 7.041 79.832 135.927 1.00 24.20 C +ATOM 15380 CG ASP H 186 6.015 79.848 137.053 1.00 36.21 C +ATOM 15381 OD1 ASP H 186 6.249 80.490 138.116 1.00 43.82 O +ATOM 15382 OD2 ASP H 186 4.960 79.184 136.875 1.00 38.22 O +ATOM 15383 N GLY H 187 9.325 81.662 134.047 1.00 26.89 N +ATOM 15384 CA GLY H 187 10.306 81.554 132.962 1.00 26.77 C +ATOM 15385 C GLY H 187 10.137 80.348 132.045 1.00 26.80 C +ATOM 15386 O GLY H 187 11.123 79.712 131.636 1.00 25.55 O +ATOM 15387 N GLU H 188 8.888 80.033 131.726 1.00 27.82 N +ATOM 15388 CA GLU H 188 8.567 78.912 130.830 1.00 30.73 C +ATOM 15389 C GLU H 188 9.082 79.196 129.405 1.00 30.39 C +ATOM 15390 O GLU H 188 9.030 80.321 128.923 1.00 29.98 O +ATOM 15391 CB GLU H 188 7.044 78.632 130.779 1.00 30.97 C +ATOM 15392 CG GLU H 188 6.261 78.725 132.107 1.00 37.23 C +ATOM 15393 CD GLU H 188 5.535 80.100 132.289 1.00 51.52 C +ATOM 15394 OE1 GLU H 188 6.214 81.181 132.374 1.00 39.44 O +ATOM 15395 OE2 GLU H 188 4.276 80.077 132.353 1.00 53.87 O +ATOM 15396 N SER H 189 9.573 78.164 128.750 1.00 31.63 N +ATOM 15397 CA SER H 189 10.110 78.298 127.409 1.00 32.92 C +ATOM 15398 C SER H 189 9.604 77.186 126.457 1.00 33.70 C +ATOM 15399 O SER H 189 9.101 76.134 126.886 1.00 34.47 O +ATOM 15400 CB SER H 189 11.646 78.347 127.454 1.00 32.49 C +ATOM 15401 OG SER H 189 12.173 77.178 128.045 1.00 35.46 O +ATOM 15402 N LYS H 190 9.719 77.470 125.164 1.00 32.32 N +ATOM 15403 CA LYS H 190 9.215 76.631 124.116 1.00 34.55 C +ATOM 15404 C LYS H 190 10.386 76.356 123.157 1.00 31.90 C +ATOM 15405 O LYS H 190 11.131 77.274 122.796 1.00 30.67 O +ATOM 15406 CB LYS H 190 8.099 77.401 123.420 1.00 34.54 C +ATOM 15407 CG LYS H 190 7.088 76.614 122.636 1.00 42.97 C +ATOM 15408 CD LYS H 190 5.941 77.556 122.194 1.00 43.45 C +ATOM 15409 CE LYS H 190 4.952 76.890 121.241 1.00 53.87 C +ATOM 15410 NZ LYS H 190 5.333 77.004 119.808 1.00 54.67 N +ATOM 15411 N PRO H 191 10.581 75.087 122.774 1.00 30.59 N +ATOM 15412 CA PRO H 191 11.595 74.745 121.773 1.00 29.54 C +ATOM 15413 C PRO H 191 11.158 74.994 120.320 1.00 27.08 C +ATOM 15414 O PRO H 191 10.004 75.354 120.050 1.00 26.10 O +ATOM 15415 CB PRO H 191 11.815 73.243 122.014 1.00 28.72 C +ATOM 15416 CG PRO H 191 10.468 72.760 122.491 1.00 30.24 C +ATOM 15417 CD PRO H 191 9.887 73.889 123.287 1.00 30.13 C +ATOM 15418 N PHE H 192 12.088 74.797 119.382 1.00 26.48 N +ATOM 15419 CA PHE H 192 11.761 74.896 117.949 1.00 25.78 C +ATOM 15420 C PHE H 192 10.830 73.744 117.508 1.00 26.07 C +ATOM 15421 O PHE H 192 10.726 72.723 118.195 1.00 25.53 O +ATOM 15422 CB PHE H 192 13.017 74.873 117.081 1.00 23.84 C +ATOM 15423 CG PHE H 192 14.027 75.939 117.418 1.00 23.88 C +ATOM 15424 CD1 PHE H 192 13.758 77.292 117.205 1.00 23.68 C +ATOM 15425 CD2 PHE H 192 15.261 75.601 117.928 1.00 23.61 C +ATOM 15426 CE1 PHE H 192 14.732 78.266 117.491 1.00 21.37 C +ATOM 15427 CE2 PHE H 192 16.211 76.590 118.203 1.00 23.04 C +ATOM 15428 CZ PHE H 192 15.930 77.903 117.978 1.00 18.86 C +ATOM 15429 N ALA H 193 10.171 73.949 116.370 1.00 26.21 N +ATOM 15430 CA ALA H 193 9.342 72.952 115.699 1.00 27.32 C +ATOM 15431 C ALA H 193 10.219 72.079 114.781 1.00 28.05 C +ATOM 15432 O ALA H 193 9.835 70.980 114.367 1.00 29.13 O +ATOM 15433 CB ALA H 193 8.209 73.656 114.899 1.00 23.50 C +ATOM 15434 N ILE H 194 11.426 72.571 114.509 1.00 28.13 N +ATOM 15435 CA ILE H 194 12.439 71.838 113.733 1.00 25.37 C +ATOM 15436 C ILE H 194 13.319 71.057 114.710 1.00 26.34 C +ATOM 15437 O ILE H 194 14.202 71.625 115.366 1.00 26.51 O +ATOM 15438 CB ILE H 194 13.260 72.810 112.858 1.00 24.95 C +ATOM 15439 CG1 ILE H 194 12.296 73.653 111.982 1.00 24.36 C +ATOM 15440 CG2 ILE H 194 14.252 72.045 112.029 1.00 24.33 C +ATOM 15441 CD1 ILE H 194 12.923 74.841 111.257 1.00 24.36 C +ATOM 15442 N ALA H 195 13.042 69.753 114.822 1.00 25.69 N +ATOM 15443 CA ALA H 195 13.684 68.871 115.822 1.00 25.04 C +ATOM 15444 C ALA H 195 15.210 68.909 115.783 1.00 24.59 C +ATOM 15445 O ALA H 195 15.848 68.957 116.843 1.00 25.66 O +ATOM 15446 CB ALA H 195 13.196 67.393 115.669 1.00 24.46 C +ATOM 15447 N SER H 196 15.801 68.917 114.587 1.00 24.31 N +ATOM 15448 CA SER H 196 17.275 68.967 114.443 1.00 23.41 C +ATOM 15449 C SER H 196 17.920 70.187 115.085 1.00 23.19 C +ATOM 15450 O SER H 196 19.044 70.112 115.530 1.00 23.17 O +ATOM 15451 CB SER H 196 17.687 68.925 112.959 1.00 23.71 C +ATOM 15452 OG SER H 196 17.300 67.714 112.334 1.00 22.56 O +ATOM 15453 N LEU H 197 17.228 71.321 115.109 1.00 23.66 N +ATOM 15454 CA LEU H 197 17.714 72.506 115.810 1.00 24.22 C +ATOM 15455 C LEU H 197 17.726 72.312 117.322 1.00 24.88 C +ATOM 15456 O LEU H 197 18.659 72.722 117.990 1.00 26.18 O +ATOM 15457 CB LEU H 197 16.891 73.753 115.456 1.00 24.12 C +ATOM 15458 CG LEU H 197 16.821 74.170 114.002 1.00 22.92 C +ATOM 15459 CD1 LEU H 197 15.904 75.404 113.917 1.00 21.43 C +ATOM 15460 CD2 LEU H 197 18.203 74.441 113.433 1.00 18.28 C +ATOM 15461 N ASN H 198 16.691 71.709 117.877 1.00 26.69 N +ATOM 15462 CA ASN H 198 16.722 71.352 119.303 1.00 27.35 C +ATOM 15463 C ASN H 198 17.849 70.336 119.626 1.00 27.82 C +ATOM 15464 O ASN H 198 18.388 70.316 120.727 1.00 27.37 O +ATOM 15465 CB ASN H 198 15.386 70.759 119.781 1.00 25.17 C +ATOM 15466 CG ASN H 198 14.221 71.676 119.550 1.00 27.52 C +ATOM 15467 OD1 ASN H 198 14.309 72.914 119.738 1.00 28.74 O +ATOM 15468 ND2 ASN H 198 13.105 71.087 119.142 1.00 24.41 N +ATOM 15469 N GLU H 199 18.165 69.466 118.676 1.00 28.60 N +ATOM 15470 CA GLU H 199 19.269 68.513 118.835 1.00 31.02 C +ATOM 15471 C GLU H 199 20.650 69.172 118.593 1.00 30.24 C +ATOM 15472 O GLU H 199 21.706 68.566 118.831 1.00 29.49 O +ATOM 15473 CB GLU H 199 19.062 67.312 117.905 1.00 29.77 C +ATOM 15474 CG GLU H 199 17.815 66.467 118.263 1.00 35.20 C +ATOM 15475 CD GLU H 199 17.222 65.646 117.087 1.00 40.38 C +ATOM 15476 OE1 GLU H 199 17.871 65.512 116.021 1.00 47.09 O +ATOM 15477 OE2 GLU H 199 16.088 65.123 117.254 1.00 53.94 O +ATOM 15478 N LYS H 200 20.626 70.421 118.115 1.00 30.20 N +ATOM 15479 CA LYS H 200 21.837 71.207 117.848 1.00 29.82 C +ATOM 15480 C LYS H 200 22.634 70.706 116.669 1.00 27.51 C +ATOM 15481 O LYS H 200 23.841 70.860 116.647 1.00 27.38 O +ATOM 15482 CB LYS H 200 22.708 71.330 119.111 1.00 31.19 C +ATOM 15483 CG LYS H 200 21.933 72.023 120.242 1.00 35.77 C +ATOM 15484 CD LYS H 200 22.651 71.974 121.561 1.00 42.45 C +ATOM 15485 CE LYS H 200 21.682 72.365 122.679 1.00 50.25 C +ATOM 15486 NZ LYS H 200 21.039 73.685 122.393 1.00 53.44 N +ATOM 15487 N VAL H 201 21.944 70.142 115.675 1.00 25.00 N +ATOM 15488 CA VAL H 201 22.576 69.840 114.372 1.00 24.52 C +ATOM 15489 C VAL H 201 23.046 71.168 113.715 1.00 24.13 C +ATOM 15490 O VAL H 201 24.138 71.234 113.100 1.00 23.47 O +ATOM 15491 CB VAL H 201 21.655 68.954 113.469 1.00 24.36 C +ATOM 15492 CG1 VAL H 201 22.250 68.713 112.086 1.00 18.74 C +ATOM 15493 CG2 VAL H 201 21.384 67.612 114.163 1.00 21.82 C +ATOM 15494 N ALA H 202 22.253 72.224 113.907 1.00 23.02 N +ATOM 15495 CA ALA H 202 22.605 73.559 113.464 1.00 21.23 C +ATOM 15496 C ALA H 202 22.024 74.552 114.466 1.00 22.02 C +ATOM 15497 O ALA H 202 21.233 74.171 115.330 1.00 22.52 O +ATOM 15498 CB ALA H 202 22.113 73.805 112.052 1.00 17.02 C +ATOM 15499 N TRP H 203 22.472 75.798 114.381 1.00 22.23 N +ATOM 15500 CA TRP H 203 22.094 76.855 115.286 1.00 20.87 C +ATOM 15501 C TRP H 203 21.207 77.909 114.570 1.00 20.68 C +ATOM 15502 O TRP H 203 21.523 78.353 113.463 1.00 18.75 O +ATOM 15503 CB TRP H 203 23.363 77.524 115.864 1.00 21.91 C +ATOM 15504 CG TRP H 203 23.060 78.681 116.826 1.00 21.83 C +ATOM 15505 CD1 TRP H 203 22.847 78.582 118.160 1.00 22.44 C +ATOM 15506 CD2 TRP H 203 22.890 80.076 116.497 1.00 19.27 C +ATOM 15507 NE1 TRP H 203 22.561 79.819 118.682 1.00 23.31 N +ATOM 15508 CE2 TRP H 203 22.583 80.749 117.688 1.00 22.06 C +ATOM 15509 CE3 TRP H 203 22.966 80.815 115.308 1.00 20.85 C +ATOM 15510 CZ2 TRP H 203 22.379 82.126 117.740 1.00 23.66 C +ATOM 15511 CZ3 TRP H 203 22.766 82.170 115.359 1.00 19.71 C +ATOM 15512 CH2 TRP H 203 22.458 82.818 116.569 1.00 20.91 C +ATOM 15513 N VAL H 204 20.091 78.261 115.217 1.00 19.49 N +ATOM 15514 CA VAL H 204 19.254 79.385 114.868 1.00 20.43 C +ATOM 15515 C VAL H 204 19.002 80.124 116.196 1.00 21.57 C +ATOM 15516 O VAL H 204 18.934 79.473 117.242 1.00 21.23 O +ATOM 15517 CB VAL H 204 17.928 78.877 114.220 1.00 21.16 C +ATOM 15518 CG1 VAL H 204 16.861 79.954 114.201 1.00 17.93 C +ATOM 15519 CG2 VAL H 204 18.216 78.343 112.814 1.00 21.61 C +ATOM 15520 N PRO H 205 18.902 81.471 116.179 1.00 21.21 N +ATOM 15521 CA PRO H 205 18.605 82.122 117.444 1.00 22.44 C +ATOM 15522 C PRO H 205 17.184 81.869 117.951 1.00 22.92 C +ATOM 15523 O PRO H 205 16.230 81.866 117.156 1.00 23.30 O +ATOM 15524 CB PRO H 205 18.777 83.611 117.126 1.00 22.75 C +ATOM 15525 CG PRO H 205 18.564 83.735 115.691 1.00 19.90 C +ATOM 15526 CD PRO H 205 19.091 82.454 115.100 1.00 22.49 C +ATOM 15527 N ARG H 206 17.052 81.678 119.268 1.00 23.83 N +ATOM 15528 CA ARG H 206 15.728 81.591 119.915 1.00 25.31 C +ATOM 15529 C ARG H 206 14.995 82.897 119.620 1.00 22.63 C +ATOM 15530 O ARG H 206 15.600 83.964 119.687 1.00 21.22 O +ATOM 15531 CB ARG H 206 15.917 81.378 121.427 1.00 28.33 C +ATOM 15532 CG ARG H 206 14.657 81.196 122.303 1.00 29.72 C +ATOM 15533 CD ARG H 206 14.963 81.376 123.813 1.00 30.81 C +ATOM 15534 NE ARG H 206 15.842 80.340 124.384 1.00 40.08 N +ATOM 15535 CZ ARG H 206 15.460 79.089 124.693 1.00 47.11 C +ATOM 15536 NH1 ARG H 206 14.202 78.658 124.489 1.00 43.75 N +ATOM 15537 NH2 ARG H 206 16.340 78.249 125.217 1.00 46.59 N +ATOM 15538 N HIS H 207 13.732 82.780 119.205 1.00 22.43 N +ATOM 15539 CA HIS H 207 12.820 83.903 119.045 1.00 22.60 C +ATOM 15540 C HIS H 207 12.072 84.124 120.357 1.00 24.19 C +ATOM 15541 O HIS H 207 11.293 83.264 120.783 1.00 23.53 O +ATOM 15542 CB HIS H 207 11.827 83.639 117.895 1.00 23.47 C +ATOM 15543 CG HIS H 207 12.474 83.656 116.545 1.00 22.04 C +ATOM 15544 ND1 HIS H 207 11.861 84.170 115.425 1.00 25.11 N +ATOM 15545 CD2 HIS H 207 13.706 83.263 116.149 1.00 20.93 C +ATOM 15546 CE1 HIS H 207 12.686 84.087 114.394 1.00 18.85 C +ATOM 15547 NE2 HIS H 207 13.816 83.554 114.809 1.00 21.42 N +ATOM 15548 N TRP H 208 12.337 85.267 120.996 1.00 24.20 N +ATOM 15549 CA TRP H 208 11.846 85.539 122.338 1.00 24.21 C +ATOM 15550 C TRP H 208 10.343 85.649 122.380 1.00 25.56 C +ATOM 15551 O TRP H 208 9.738 85.208 123.342 1.00 25.53 O +ATOM 15552 CB TRP H 208 12.499 86.801 122.935 1.00 24.64 C +ATOM 15553 CG TRP H 208 13.299 86.548 124.174 1.00 23.94 C +ATOM 15554 CD1 TRP H 208 12.963 86.892 125.443 1.00 24.31 C +ATOM 15555 CD2 TRP H 208 14.581 85.907 124.264 1.00 22.97 C +ATOM 15556 NE1 TRP H 208 13.958 86.502 126.329 1.00 22.27 N +ATOM 15557 CE2 TRP H 208 14.945 85.881 125.638 1.00 24.13 C +ATOM 15558 CE3 TRP H 208 15.437 85.329 123.332 1.00 22.82 C +ATOM 15559 CZ2 TRP H 208 16.131 85.326 126.092 1.00 25.02 C +ATOM 15560 CZ3 TRP H 208 16.626 84.771 123.791 1.00 28.14 C +ATOM 15561 CH2 TRP H 208 16.962 84.778 125.160 1.00 26.44 C +ATOM 15562 N ASP H 209 9.750 86.209 121.322 1.00 26.18 N +ATOM 15563 CA ASP H 209 8.304 86.338 121.200 1.00 28.19 C +ATOM 15564 C ASP H 209 7.578 84.979 121.064 1.00 29.26 C +ATOM 15565 O ASP H 209 6.437 84.853 121.465 1.00 29.49 O +ATOM 15566 CB ASP H 209 7.930 87.266 120.019 1.00 28.62 C +ATOM 15567 CG ASP H 209 8.380 86.730 118.677 1.00 31.11 C +ATOM 15568 OD1 ASP H 209 9.531 86.248 118.566 1.00 30.90 O +ATOM 15569 OD2 ASP H 209 7.584 86.790 117.725 1.00 34.72 O +ATOM 15570 N LYS H 210 8.248 83.973 120.521 1.00 29.49 N +ATOM 15571 CA LYS H 210 7.642 82.649 120.329 1.00 29.84 C +ATOM 15572 C LYS H 210 7.975 81.649 121.443 1.00 29.80 C +ATOM 15573 O LYS H 210 7.227 80.706 121.675 1.00 31.10 O +ATOM 15574 CB LYS H 210 8.118 82.045 119.000 1.00 29.96 C +ATOM 15575 CG LYS H 210 7.908 82.916 117.761 1.00 33.17 C +ATOM 15576 CD LYS H 210 6.508 82.815 117.227 1.00 37.97 C +ATOM 15577 CE LYS H 210 6.255 83.880 116.186 1.00 45.83 C +ATOM 15578 NZ LYS H 210 7.498 84.434 115.626 1.00 50.38 N +ATOM 15579 N ALA H 211 9.114 81.860 122.095 1.00 29.05 N +ATOM 15580 CA ALA H 211 9.724 80.894 122.964 1.00 28.78 C +ATOM 15581 C ALA H 211 9.703 81.237 124.464 1.00 30.24 C +ATOM 15582 O ALA H 211 10.107 80.402 125.272 1.00 31.71 O +ATOM 15583 CB ALA H 211 11.141 80.688 122.522 1.00 28.50 C +ATOM 15584 N THR H 212 9.298 82.457 124.830 1.00 30.30 N +ATOM 15585 CA THR H 212 9.197 82.870 126.250 1.00 29.81 C +ATOM 15586 C THR H 212 7.861 83.555 126.549 1.00 32.20 C +ATOM 15587 O THR H 212 7.157 83.998 125.641 1.00 35.01 O +ATOM 15588 CB THR H 212 10.353 83.827 126.682 1.00 28.69 C +ATOM 15589 OG1 THR H 212 10.151 85.117 126.095 1.00 27.40 O +ATOM 15590 CG2 THR H 212 11.748 83.251 126.272 1.00 20.24 C +ATOM 15591 N VAL H 213 7.526 83.629 127.834 1.00 32.73 N +ATOM 15592 CA VAL H 213 6.314 84.308 128.303 1.00 33.43 C +ATOM 15593 C VAL H 213 6.681 85.616 128.994 1.00 31.25 C +ATOM 15594 O VAL H 213 6.195 86.678 128.625 1.00 31.92 O +ATOM 15595 CB VAL H 213 5.481 83.377 129.265 1.00 34.41 C +ATOM 15596 CG1 VAL H 213 4.145 84.003 129.600 1.00 35.26 C +ATOM 15597 CG2 VAL H 213 5.272 81.990 128.603 1.00 36.92 C +ATOM 15598 N ASP H 214 7.574 85.532 129.970 1.00 29.08 N +ATOM 15599 CA ASP H 214 7.927 86.681 130.830 1.00 29.05 C +ATOM 15600 C ASP H 214 9.322 87.227 130.504 1.00 27.15 C +ATOM 15601 O ASP H 214 9.807 88.100 131.194 1.00 25.70 O +ATOM 15602 CB ASP H 214 7.837 86.275 132.306 1.00 29.64 C +ATOM 15603 CG ASP H 214 8.683 85.059 132.621 1.00 30.67 C +ATOM 15604 OD1 ASP H 214 9.813 84.977 132.085 1.00 30.12 O +ATOM 15605 OD2 ASP H 214 8.215 84.173 133.374 1.00 35.01 O +ATOM 15606 N SER H 215 9.908 86.711 129.416 1.00 25.72 N +ATOM 15607 CA SER H 215 11.249 87.027 128.910 1.00 25.46 C +ATOM 15608 C SER H 215 12.353 86.174 129.556 1.00 25.17 C +ATOM 15609 O SER H 215 13.493 86.154 129.086 1.00 26.60 O +ATOM 15610 CB SER H 215 11.553 88.538 128.946 1.00 25.53 C +ATOM 15611 OG SER H 215 12.112 88.929 130.168 1.00 24.90 O +ATOM 15612 N GLY H 216 12.010 85.434 130.608 1.00 23.46 N +ATOM 15613 CA GLY H 216 12.968 84.558 131.266 1.00 22.58 C +ATOM 15614 C GLY H 216 13.049 83.193 130.601 1.00 22.52 C +ATOM 15615 O GLY H 216 12.092 82.738 129.958 1.00 21.81 O +ATOM 15616 N VAL H 217 14.208 82.559 130.721 1.00 23.21 N +ATOM 15617 CA VAL H 217 14.376 81.168 130.304 1.00 24.03 C +ATOM 15618 C VAL H 217 14.892 80.300 131.482 1.00 24.78 C +ATOM 15619 O VAL H 217 16.091 80.149 131.692 1.00 24.05 O +ATOM 15620 CB VAL H 217 15.303 81.022 129.071 1.00 24.33 C +ATOM 15621 CG1 VAL H 217 15.406 79.497 128.640 1.00 20.64 C +ATOM 15622 CG2 VAL H 217 14.798 81.875 127.952 1.00 19.57 C +ATOM 15623 N GLY H 218 13.952 79.694 132.207 1.00 25.15 N +ATOM 15624 CA GLY H 218 14.266 78.906 133.385 1.00 25.70 C +ATOM 15625 C GLY H 218 13.555 79.450 134.605 1.00 26.46 C +ATOM 15626 O GLY H 218 13.477 80.679 134.793 1.00 26.33 O +ATOM 15627 N ASN H 219 13.042 78.545 135.443 1.00 27.19 N +ATOM 15628 CA ASN H 219 12.332 78.945 136.668 1.00 26.43 C +ATOM 15629 C ASN H 219 13.358 79.345 137.732 1.00 24.40 C +ATOM 15630 O ASN H 219 14.169 78.503 138.168 1.00 25.75 O +ATOM 15631 CB ASN H 219 11.407 77.824 137.177 1.00 26.52 C +ATOM 15632 CG ASN H 219 10.406 78.293 138.254 1.00 29.81 C +ATOM 15633 OD1 ASN H 219 10.659 79.243 139.008 1.00 23.88 O +ATOM 15634 ND2 ASN H 219 9.259 77.605 138.328 1.00 24.17 N +ATOM 15635 N PRO H 220 13.342 80.630 138.153 1.00 23.44 N +ATOM 15636 CA PRO H 220 14.316 81.104 139.134 1.00 24.85 C +ATOM 15637 C PRO H 220 13.940 80.816 140.606 1.00 25.77 C +ATOM 15638 O PRO H 220 14.730 81.146 141.477 1.00 24.17 O +ATOM 15639 CB PRO H 220 14.315 82.615 138.895 1.00 23.63 C +ATOM 15640 CG PRO H 220 12.885 82.908 138.528 1.00 22.76 C +ATOM 15641 CD PRO H 220 12.407 81.709 137.754 1.00 21.53 C +ATOM 15642 N LYS H 221 12.785 80.179 140.866 1.00 27.14 N +ATOM 15643 CA LYS H 221 12.158 80.135 142.222 1.00 27.93 C +ATOM 15644 C LYS H 221 12.997 79.579 143.382 1.00 26.80 C +ATOM 15645 O LYS H 221 12.770 79.943 144.531 1.00 26.75 O +ATOM 15646 CB LYS H 221 10.784 79.415 142.190 1.00 26.46 C +ATOM 15647 CG LYS H 221 10.874 77.865 142.093 1.00 33.92 C +ATOM 15648 CD LYS H 221 9.480 77.196 142.304 1.00 33.90 C +ATOM 15649 CE LYS H 221 9.494 75.708 142.014 1.00 35.70 C +ATOM 15650 NZ LYS H 221 8.100 75.195 142.086 1.00 43.53 N +ATOM 15651 N LYS H 222 13.953 78.706 143.084 1.00 26.57 N +ATOM 15652 CA LYS H 222 14.837 78.144 144.105 1.00 26.66 C +ATOM 15653 C LYS H 222 16.126 78.921 144.323 1.00 24.64 C +ATOM 15654 O LYS H 222 16.972 78.502 145.091 1.00 24.12 O +ATOM 15655 CB LYS H 222 15.141 76.655 143.802 1.00 27.24 C +ATOM 15656 CG LYS H 222 13.898 75.806 143.911 1.00 31.22 C +ATOM 15657 CD LYS H 222 14.148 74.350 143.667 1.00 39.55 C +ATOM 15658 CE LYS H 222 12.825 73.596 143.577 1.00 47.63 C +ATOM 15659 NZ LYS H 222 13.015 72.209 143.080 1.00 51.09 N +ATOM 15660 N ALA H 223 16.254 80.061 143.659 1.00 24.13 N +ATOM 15661 CA ALA H 223 17.371 80.982 143.840 1.00 22.67 C +ATOM 15662 C ALA H 223 17.531 81.440 145.304 1.00 22.91 C +ATOM 15663 O ALA H 223 16.559 81.791 145.996 1.00 22.18 O +ATOM 15664 CB ALA H 223 17.185 82.201 142.931 1.00 19.41 C +ATOM 15665 N THR H 224 18.775 81.428 145.766 1.00 22.38 N +ATOM 15666 CA THR H 224 19.149 82.015 147.042 1.00 22.08 C +ATOM 15667 C THR H 224 20.510 82.743 146.938 1.00 22.20 C +ATOM 15668 O THR H 224 21.338 82.424 146.070 1.00 21.09 O +ATOM 15669 CB THR H 224 19.264 80.983 148.140 1.00 22.93 C +ATOM 15670 OG1 THR H 224 20.451 80.216 147.946 1.00 20.22 O +ATOM 15671 CG2 THR H 224 17.982 80.059 148.226 1.00 19.56 C +ATOM 15672 N ALA H 225 20.696 83.740 147.822 1.00 21.77 N +ATOM 15673 CA ALA H 225 21.967 84.469 147.968 1.00 21.20 C +ATOM 15674 C ALA H 225 23.112 83.537 148.245 1.00 23.81 C +ATOM 15675 O ALA H 225 24.206 83.727 147.728 1.00 24.00 O +ATOM 15676 CB ALA H 225 21.874 85.545 149.060 1.00 16.98 C +ATOM 15677 N GLU H 226 22.893 82.524 149.070 1.00 25.81 N +ATOM 15678 CA GLU H 226 23.987 81.653 149.472 1.00 27.33 C +ATOM 15679 C GLU H 226 24.443 80.777 148.301 1.00 24.47 C +ATOM 15680 O GLU H 226 25.636 80.539 148.133 1.00 23.12 O +ATOM 15681 CB GLU H 226 23.570 80.764 150.663 1.00 29.93 C +ATOM 15682 CG GLU H 226 24.731 80.001 151.335 1.00 37.14 C +ATOM 15683 CD GLU H 226 24.263 78.793 152.166 1.00 39.90 C +ATOM 15684 OE1 GLU H 226 24.020 77.708 151.560 1.00 54.83 O +ATOM 15685 OE2 GLU H 226 24.156 78.936 153.410 1.00 48.98 O +ATOM 15686 N LYS H 227 23.490 80.261 147.523 1.00 23.14 N +ATOM 15687 CA LYS H 227 23.830 79.511 146.331 1.00 23.64 C +ATOM 15688 C LYS H 227 24.671 80.357 145.368 1.00 23.50 C +ATOM 15689 O LYS H 227 25.581 79.839 144.749 1.00 23.52 O +ATOM 15690 CB LYS H 227 22.575 79.064 145.602 1.00 23.53 C +ATOM 15691 CG LYS H 227 21.827 77.902 146.202 1.00 24.75 C +ATOM 15692 CD LYS H 227 20.674 77.580 145.276 1.00 23.35 C +ATOM 15693 CE LYS H 227 19.960 76.346 145.679 1.00 26.02 C +ATOM 15694 NZ LYS H 227 18.728 76.187 144.873 1.00 27.65 N +ATOM 15695 N GLY H 228 24.336 81.640 145.234 1.00 23.21 N +ATOM 15696 CA GLY H 228 25.108 82.582 144.426 1.00 22.73 C +ATOM 15697 C GLY H 228 26.517 82.805 144.936 1.00 23.72 C +ATOM 15698 O GLY H 228 27.486 82.799 144.179 1.00 23.21 O +ATOM 15699 N GLU H 229 26.638 82.984 146.238 1.00 24.68 N +ATOM 15700 CA GLU H 229 27.927 83.134 146.878 1.00 26.28 C +ATOM 15701 C GLU H 229 28.853 81.959 146.646 1.00 25.40 C +ATOM 15702 O GLU H 229 30.048 82.156 146.378 1.00 24.76 O +ATOM 15703 CB GLU H 229 27.742 83.328 148.365 1.00 24.67 C +ATOM 15704 CG GLU H 229 29.025 83.600 149.087 1.00 29.56 C +ATOM 15705 CD GLU H 229 28.788 83.865 150.554 1.00 37.38 C +ATOM 15706 OE1 GLU H 229 27.874 83.226 151.148 1.00 48.32 O +ATOM 15707 OE2 GLU H 229 29.513 84.719 151.113 1.00 51.16 O +ATOM 15708 N ARG H 230 28.301 80.751 146.779 1.00 25.05 N +ATOM 15709 CA AARG H 230 29.012 79.478 146.559 0.50 26.73 C +ATOM 15710 CA BARG H 230 29.089 79.545 146.593 0.50 27.18 C +ATOM 15711 C ARG H 230 29.497 79.323 145.128 1.00 24.80 C +ATOM 15712 O ARG H 230 30.566 78.805 144.872 1.00 24.92 O +ATOM 15713 CB AARG H 230 28.089 78.276 146.854 0.50 26.80 C +ATOM 15714 CB BARG H 230 28.344 78.339 147.174 0.50 27.56 C +ATOM 15715 CG AARG H 230 28.006 77.846 148.313 0.50 31.58 C +ATOM 15716 CG BARG H 230 28.244 78.369 148.717 0.50 30.17 C +ATOM 15717 CD AARG H 230 27.653 76.331 148.465 0.50 31.18 C +ATOM 15718 CD BARG H 230 27.642 77.059 149.218 0.50 33.99 C +ATOM 15719 NE AARG H 230 26.210 76.062 148.447 0.50 36.68 N +ATOM 15720 NE BARG H 230 27.389 76.996 150.660 0.50 38.03 N +ATOM 15721 CZ AARG H 230 25.492 75.755 147.368 0.50 29.52 C +ATOM 15722 CZ BARG H 230 26.619 76.073 151.239 0.50 39.15 C +ATOM 15723 NH1AARG H 230 26.053 75.671 146.180 0.50 32.19 N +ATOM 15724 NH1BARG H 230 26.013 75.142 150.508 0.50 36.35 N +ATOM 15725 NH2AARG H 230 24.192 75.542 147.476 0.50 31.02 N +ATOM 15726 NH2BARG H 230 26.444 76.081 152.554 0.50 42.35 N +ATOM 15727 N TYR H 231 28.650 79.733 144.184 1.00 23.17 N +ATOM 15728 CA TYR H 231 28.973 79.632 142.766 1.00 22.73 C +ATOM 15729 C TYR H 231 30.065 80.572 142.367 1.00 22.10 C +ATOM 15730 O TYR H 231 30.950 80.171 141.621 1.00 24.62 O +ATOM 15731 CB TYR H 231 27.742 79.908 141.920 1.00 23.46 C +ATOM 15732 CG TYR H 231 27.890 79.766 140.435 1.00 20.74 C +ATOM 15733 CD1 TYR H 231 28.541 78.685 139.875 1.00 19.22 C +ATOM 15734 CD2 TYR H 231 27.306 80.689 139.580 1.00 21.57 C +ATOM 15735 CE1 TYR H 231 28.643 78.553 138.502 1.00 18.85 C +ATOM 15736 CE2 TYR H 231 27.371 80.549 138.214 1.00 21.19 C +ATOM 15737 CZ TYR H 231 28.074 79.506 137.674 1.00 21.14 C +ATOM 15738 OH TYR H 231 28.151 79.386 136.304 1.00 20.31 O +ATOM 15739 N VAL H 232 30.002 81.820 142.824 1.00 22.33 N +ATOM 15740 CA VAL H 232 30.941 82.827 142.336 1.00 22.22 C +ATOM 15741 C VAL H 232 32.299 82.631 142.947 1.00 23.50 C +ATOM 15742 O VAL H 232 33.288 83.073 142.354 1.00 23.59 O +ATOM 15743 CB VAL H 232 30.472 84.303 142.491 1.00 23.88 C +ATOM 15744 CG1 VAL H 232 29.156 84.554 141.718 1.00 22.84 C +ATOM 15745 CG2 VAL H 232 30.371 84.724 143.941 1.00 20.06 C +ATOM 15746 N LYS H 233 32.387 81.933 144.085 1.00 23.09 N +ATOM 15747 CA LYS H 233 33.676 81.753 144.727 1.00 23.65 C +ATOM 15748 C LYS H 233 34.772 81.119 143.853 1.00 22.34 C +ATOM 15749 O LYS H 233 35.860 81.653 143.766 1.00 23.70 O +ATOM 15750 CB LYS H 233 33.523 80.965 146.029 1.00 25.63 C +ATOM 15751 CG LYS H 233 34.789 80.947 146.820 1.00 23.38 C +ATOM 15752 CD LYS H 233 34.679 79.986 148.019 1.00 40.94 C +ATOM 15753 CE LYS H 233 36.048 79.699 148.653 1.00 45.57 C +ATOM 15754 NZ LYS H 233 36.393 80.678 149.713 1.00 50.55 N +ATOM 15755 N PRO H 234 34.513 79.949 143.269 1.00 21.74 N +ATOM 15756 CA PRO H 234 35.472 79.348 142.323 1.00 21.87 C +ATOM 15757 C PRO H 234 35.654 80.111 141.005 1.00 20.90 C +ATOM 15758 O PRO H 234 36.721 80.022 140.390 1.00 20.63 O +ATOM 15759 CB PRO H 234 34.871 77.979 142.051 1.00 20.18 C +ATOM 15760 CG PRO H 234 33.405 78.155 142.291 1.00 23.04 C +ATOM 15761 CD PRO H 234 33.346 79.073 143.465 1.00 20.75 C +ATOM 15762 N ILE H 235 34.633 80.865 140.589 1.00 21.45 N +ATOM 15763 CA ILE H 235 34.728 81.719 139.384 1.00 20.66 C +ATOM 15764 C ILE H 235 35.734 82.842 139.641 1.00 20.73 C +ATOM 15765 O ILE H 235 36.634 83.060 138.830 1.00 22.21 O +ATOM 15766 CB ILE H 235 33.329 82.276 138.957 1.00 22.10 C +ATOM 15767 CG1 ILE H 235 32.422 81.127 138.495 1.00 17.45 C +ATOM 15768 CG2 ILE H 235 33.429 83.335 137.828 1.00 17.99 C +ATOM 15769 CD1 ILE H 235 31.040 81.550 138.325 1.00 18.50 C +ATOM 15770 N VAL H 236 35.603 83.521 140.778 1.00 20.20 N +ATOM 15771 CA VAL H 236 36.504 84.612 141.179 1.00 19.98 C +ATOM 15772 C VAL H 236 37.928 84.091 141.314 1.00 21.56 C +ATOM 15773 O VAL H 236 38.886 84.726 140.892 1.00 21.18 O +ATOM 15774 CB VAL H 236 36.050 85.281 142.505 1.00 20.69 C +ATOM 15775 CG1 VAL H 236 37.169 86.139 143.113 1.00 16.74 C +ATOM 15776 CG2 VAL H 236 34.732 86.091 142.318 1.00 14.34 C +ATOM 15777 N GLU H 237 38.048 82.906 141.896 1.00 22.99 N +ATOM 15778 CA GLU H 237 39.350 82.241 142.079 1.00 23.13 C +ATOM 15779 C GLU H 237 40.029 81.889 140.735 1.00 21.97 C +ATOM 15780 O GLU H 237 41.240 82.097 140.582 1.00 21.57 O +ATOM 15781 CB GLU H 237 39.169 80.964 142.937 1.00 23.92 C +ATOM 15782 CG GLU H 237 40.431 80.435 143.569 1.00 32.72 C +ATOM 15783 CD GLU H 237 41.360 79.730 142.564 1.00 40.27 C +ATOM 15784 OE1 GLU H 237 40.828 79.068 141.619 1.00 43.52 O +ATOM 15785 OE2 GLU H 237 42.614 79.844 142.730 1.00 39.84 O +ATOM 15786 N LYS H 238 39.276 81.302 139.802 1.00 21.74 N +ATOM 15787 CA LYS H 238 39.837 80.963 138.501 1.00 23.28 C +ATOM 15788 C LYS H 238 40.195 82.210 137.680 1.00 22.12 C +ATOM 15789 O LYS H 238 41.230 82.232 137.022 1.00 21.83 O +ATOM 15790 CB LYS H 238 38.915 80.072 137.700 1.00 22.13 C +ATOM 15791 CG LYS H 238 38.929 78.618 138.070 1.00 28.34 C +ATOM 15792 CD LYS H 238 38.013 77.823 137.126 1.00 33.11 C +ATOM 15793 CE LYS H 238 37.776 76.402 137.625 1.00 44.69 C +ATOM 15794 NZ LYS H 238 39.055 75.648 137.807 1.00 45.67 N +ATOM 15795 N LEU H 239 39.356 83.249 137.745 1.00 21.95 N +ATOM 15796 CA LEU H 239 39.652 84.499 137.055 1.00 21.15 C +ATOM 15797 C LEU H 239 40.917 85.193 137.612 1.00 21.01 C +ATOM 15798 O LEU H 239 41.723 85.673 136.805 1.00 19.91 O +ATOM 15799 CB LEU H 239 38.455 85.454 137.009 1.00 20.68 C +ATOM 15800 CG LEU H 239 37.295 84.997 136.134 1.00 18.83 C +ATOM 15801 CD1 LEU H 239 36.028 85.822 136.436 1.00 19.03 C +ATOM 15802 CD2 LEU H 239 37.714 85.056 134.640 1.00 21.22 C +ATOM 15803 N ALA H 240 41.058 85.244 138.949 1.00 20.86 N +ATOM 15804 CA ALA H 240 42.239 85.769 139.639 1.00 20.18 C +ATOM 15805 C ALA H 240 43.493 85.050 139.183 1.00 20.57 C +ATOM 15806 O ALA H 240 44.507 85.673 138.920 1.00 22.12 O +ATOM 15807 CB ALA H 240 42.097 85.591 141.170 1.00 18.62 C +ATOM 15808 N GLY H 241 43.405 83.723 139.107 1.00 20.71 N +ATOM 15809 CA GLY H 241 44.461 82.903 138.513 1.00 21.45 C +ATOM 15810 C GLY H 241 44.812 83.269 137.066 1.00 21.62 C +ATOM 15811 O GLY H 241 45.972 83.418 136.733 1.00 21.62 O +ATOM 15812 N LEU H 242 43.803 83.426 136.212 1.00 21.26 N +ATOM 15813 CA LEU H 242 44.013 83.958 134.851 1.00 21.22 C +ATOM 15814 C LEU H 242 44.695 85.338 134.843 1.00 21.74 C +ATOM 15815 O LEU H 242 45.667 85.548 134.086 1.00 21.04 O +ATOM 15816 CB LEU H 242 42.683 84.004 134.056 1.00 20.08 C +ATOM 15817 CG LEU H 242 42.657 84.609 132.641 1.00 22.55 C +ATOM 15818 CD1 LEU H 242 43.580 83.813 131.686 1.00 18.08 C +ATOM 15819 CD2 LEU H 242 41.204 84.668 132.077 1.00 20.46 C +ATOM 15820 N PHE H 243 44.194 86.276 135.666 1.00 22.07 N +ATOM 15821 CA PHE H 243 44.773 87.634 135.672 1.00 23.19 C +ATOM 15822 C PHE H 243 46.270 87.553 136.031 1.00 24.01 C +ATOM 15823 O PHE H 243 47.126 88.197 135.390 1.00 24.71 O +ATOM 15824 CB PHE H 243 44.100 88.613 136.648 1.00 21.84 C +ATOM 15825 CG PHE H 243 42.622 88.822 136.457 1.00 22.01 C +ATOM 15826 CD1 PHE H 243 41.956 88.454 135.304 1.00 23.55 C +ATOM 15827 CD2 PHE H 243 41.885 89.457 137.472 1.00 24.75 C +ATOM 15828 CE1 PHE H 243 40.596 88.645 135.193 1.00 23.65 C +ATOM 15829 CE2 PHE H 243 40.530 89.671 137.346 1.00 22.66 C +ATOM 15830 CZ PHE H 243 39.876 89.241 136.201 1.00 22.44 C +ATOM 15831 N GLU H 244 46.570 86.760 137.059 1.00 23.71 N +ATOM 15832 CA GLU H 244 47.930 86.560 137.517 1.00 24.28 C +ATOM 15833 C GLU H 244 48.823 86.007 136.424 1.00 24.15 C +ATOM 15834 O GLU H 244 49.957 86.465 136.264 1.00 25.41 O +ATOM 15835 CB GLU H 244 47.968 85.613 138.719 1.00 23.50 C +ATOM 15836 CG GLU H 244 47.389 86.234 139.992 1.00 27.91 C +ATOM 15837 CD GLU H 244 46.974 85.235 141.081 1.00 27.66 C +ATOM 15838 OE1 GLU H 244 47.188 83.999 140.953 1.00 34.44 O +ATOM 15839 OE2 GLU H 244 46.456 85.723 142.102 1.00 31.50 O +ATOM 15840 N GLU H 245 48.337 84.995 135.710 1.00 24.55 N +ATOM 15841 CA GLU H 245 49.138 84.346 134.665 1.00 25.42 C +ATOM 15842 C GLU H 245 49.331 85.269 133.446 1.00 25.95 C +ATOM 15843 O GLU H 245 50.425 85.321 132.887 1.00 26.79 O +ATOM 15844 CB GLU H 245 48.522 82.999 134.286 1.00 24.21 C +ATOM 15845 CG GLU H 245 48.679 81.958 135.359 1.00 24.07 C +ATOM 15846 CD GLU H 245 47.723 80.801 135.247 1.00 28.34 C +ATOM 15847 OE1 GLU H 245 46.900 80.791 134.330 1.00 28.64 O +ATOM 15848 OE2 GLU H 245 47.791 79.878 136.094 1.00 37.23 O +HETATM15849 N MSE H 246 48.293 86.016 133.073 1.00 25.70 N +HETATM15850 CA MSE H 246 48.412 87.012 132.000 1.00 26.05 C +HETATM15851 C MSE H 246 49.448 88.073 132.340 1.00 28.24 C +HETATM15852 O MSE H 246 50.206 88.461 131.479 1.00 28.70 O +HETATM15853 CB MSE H 246 47.084 87.703 131.688 1.00 26.07 C +HETATM15854 CG MSE H 246 46.081 86.813 131.033 1.00 25.61 C +HETATM15855 SE MSE H 246 44.353 87.646 130.762 0.75 24.39 SE +HETATM15856 CE MSE H 246 44.554 88.752 129.191 1.00 23.68 C +ATOM 15857 N ALA H 247 49.484 88.516 133.596 1.00 29.53 N +ATOM 15858 CA ALA H 247 50.464 89.479 134.062 1.00 30.33 C +ATOM 15859 C ALA H 247 51.890 88.917 134.087 1.00 30.69 C +ATOM 15860 O ALA H 247 52.856 89.651 133.895 1.00 31.29 O +ATOM 15861 CB ALA H 247 50.091 89.994 135.442 1.00 28.51 C +ATOM 15862 N GLN H 248 52.023 87.626 134.333 1.00 30.45 N +ATOM 15863 CA GLN H 248 53.323 87.057 134.662 1.00 33.38 C +ATOM 15864 C GLN H 248 53.981 86.238 133.565 1.00 33.40 C +ATOM 15865 O GLN H 248 55.139 85.908 133.686 1.00 34.15 O +ATOM 15866 CB GLN H 248 53.173 86.237 135.934 1.00 34.31 C +ATOM 15867 CG GLN H 248 52.832 87.134 137.121 1.00 36.58 C +ATOM 15868 CD GLN H 248 52.682 86.397 138.417 1.00 37.30 C +ATOM 15869 OE1 GLN H 248 52.362 85.212 138.449 1.00 42.08 O +ATOM 15870 NE2 GLN H 248 52.898 87.116 139.512 1.00 41.63 N +ATOM 15871 N HIS H 249 53.244 85.933 132.505 1.00 32.75 N +ATOM 15872 CA HIS H 249 53.765 85.128 131.392 1.00 32.89 C +ATOM 15873 C HIS H 249 53.448 85.789 130.056 1.00 32.25 C +ATOM 15874 O HIS H 249 52.461 86.499 129.925 1.00 33.03 O +ATOM 15875 CB HIS H 249 53.195 83.697 131.426 1.00 32.18 C +ATOM 15876 CG HIS H 249 53.674 82.889 132.587 1.00 32.34 C +ATOM 15877 ND1 HIS H 249 54.942 82.353 132.646 1.00 37.56 N +ATOM 15878 CD2 HIS H 249 53.077 82.569 133.760 1.00 35.64 C +ATOM 15879 CE1 HIS H 249 55.102 81.729 133.800 1.00 40.97 C +ATOM 15880 NE2 HIS H 249 53.989 81.856 134.499 1.00 37.24 N +ATOM 15881 N ASP H 250 54.299 85.564 129.061 1.00 32.12 N +ATOM 15882 CA ASP H 250 53.927 85.872 127.679 1.00 31.54 C +ATOM 15883 C ASP H 250 52.978 84.785 127.248 1.00 28.11 C +ATOM 15884 O ASP H 250 52.897 83.756 127.887 1.00 26.99 O +ATOM 15885 CB ASP H 250 55.133 85.879 126.749 1.00 32.92 C +ATOM 15886 CG ASP H 250 56.139 86.951 127.089 1.00 39.68 C +ATOM 15887 OD1 ASP H 250 55.727 88.108 127.378 1.00 42.54 O +ATOM 15888 OD2 ASP H 250 57.356 86.618 127.058 1.00 49.08 O +ATOM 15889 N LEU H 251 52.263 85.024 126.156 1.00 26.69 N +ATOM 15890 CA LEU H 251 51.332 84.052 125.618 1.00 25.82 C +ATOM 15891 C LEU H 251 52.072 82.753 125.315 1.00 25.73 C +ATOM 15892 O LEU H 251 51.621 81.663 125.655 1.00 24.38 O +ATOM 15893 CB LEU H 251 50.620 84.607 124.367 1.00 26.92 C +ATOM 15894 CG LEU H 251 49.433 83.774 123.858 1.00 20.29 C +ATOM 15895 CD1 LEU H 251 48.395 83.737 124.956 1.00 19.72 C +ATOM 15896 CD2 LEU H 251 48.880 84.336 122.523 1.00 21.97 C +ATOM 15897 N TYR H 252 53.239 82.869 124.718 1.00 26.72 N +ATOM 15898 CA TYR H 252 54.056 81.689 124.454 1.00 28.37 C +ATOM 15899 C TYR H 252 55.444 81.925 125.026 1.00 31.70 C +ATOM 15900 O TYR H 252 55.956 83.049 125.004 1.00 31.58 O +ATOM 15901 CB TYR H 252 54.119 81.392 122.949 1.00 26.14 C +ATOM 15902 CG TYR H 252 52.805 80.903 122.338 1.00 22.72 C +ATOM 15903 CD1 TYR H 252 52.509 79.568 122.281 1.00 21.34 C +ATOM 15904 CD2 TYR H 252 51.891 81.795 121.796 1.00 21.63 C +ATOM 15905 CE1 TYR H 252 51.364 79.122 121.705 1.00 25.01 C +ATOM 15906 CE2 TYR H 252 50.727 81.354 121.241 1.00 22.00 C +ATOM 15907 CZ TYR H 252 50.472 80.024 121.182 1.00 19.22 C +ATOM 15908 OH TYR H 252 49.318 79.558 120.612 1.00 21.89 O +ATOM 15909 N GLU H 253 56.038 80.872 125.579 1.00 36.42 N +ATOM 15910 CA GLU H 253 57.305 81.011 126.279 1.00 38.55 C +ATOM 15911 C GLU H 253 58.184 79.794 126.029 1.00 44.08 C +ATOM 15912 O GLU H 253 58.240 79.272 124.938 1.00 45.72 O +ATOM 15913 CB GLU H 253 57.053 81.178 127.777 1.00 38.17 C +ATOM 15914 CG GLU H 253 56.511 82.539 128.151 1.00 37.33 C +ATOM 15915 CD GLU H 253 56.564 82.818 129.638 1.00 35.64 C +ATOM 15916 OE1 GLU H 253 56.521 81.848 130.444 1.00 32.69 O +ATOM 15917 OE2 GLU H 253 56.645 84.023 129.985 1.00 35.40 O +ATOM 15918 OXT GLU H 253 58.844 79.291 126.931 1.00 46.19 O +TER 15919 GLU H 253 +HETATM15920 N MSE I 1 28.346 63.930 89.335 1.00 39.28 N +HETATM15921 CA MSE I 1 27.944 65.297 88.877 1.00 40.09 C +HETATM15922 C MSE I 1 26.420 65.418 88.924 1.00 37.52 C +HETATM15923 O MSE I 1 25.735 64.680 88.243 1.00 37.87 O +HETATM15924 CB MSE I 1 28.442 65.581 87.460 1.00 39.11 C +HETATM15925 CG MSE I 1 27.698 66.714 86.711 1.00 41.70 C +HETATM15926 SE MSE I 1 28.681 67.580 85.173 0.75 51.54 SE +HETATM15927 CE MSE I 1 30.453 67.462 86.025 1.00 41.07 C +ATOM 15928 N ASN I 2 25.908 66.357 89.721 1.00 33.64 N +ATOM 15929 CA ASN I 2 24.467 66.532 89.908 1.00 31.02 C +ATOM 15930 C ASN I 2 24.034 67.971 89.721 1.00 29.79 C +ATOM 15931 O ASN I 2 24.170 68.780 90.620 1.00 27.94 O +ATOM 15932 CB ASN I 2 24.027 66.036 91.291 1.00 30.19 C +ATOM 15933 CG ASN I 2 22.530 65.841 91.372 1.00 29.70 C +ATOM 15934 OD1 ASN I 2 21.785 66.528 90.682 1.00 31.20 O +ATOM 15935 ND2 ASN I 2 22.087 64.874 92.166 1.00 26.64 N +ATOM 15936 N LYS I 3 23.502 68.283 88.548 1.00 28.70 N +ATOM 15937 CA LYS I 3 23.138 69.639 88.200 1.00 29.92 C +ATOM 15938 C LYS I 3 21.873 70.090 88.931 1.00 28.62 C +ATOM 15939 O LYS I 3 21.603 71.289 89.024 1.00 27.59 O +ATOM 15940 CB LYS I 3 22.961 69.785 86.674 1.00 30.14 C +ATOM 15941 CG LYS I 3 24.277 69.748 85.862 1.00 31.56 C +ATOM 15942 CD LYS I 3 24.029 70.157 84.355 1.00 34.86 C +ATOM 15943 CE LYS I 3 25.317 70.153 83.453 1.00 37.11 C +ATOM 15944 NZ LYS I 3 25.109 70.817 82.088 1.00 32.75 N +ATOM 15945 N GLU I 4 21.113 69.128 89.459 1.00 27.82 N +ATOM 15946 CA GLU I 4 19.879 69.443 90.168 1.00 27.69 C +ATOM 15947 C GLU I 4 20.150 70.158 91.505 1.00 23.79 C +ATOM 15948 O GLU I 4 19.416 71.078 91.868 1.00 24.78 O +ATOM 15949 CB GLU I 4 19.054 68.171 90.377 1.00 27.94 C +ATOM 15950 CG GLU I 4 17.646 68.446 90.827 1.00 31.75 C +ATOM 15951 CD GLU I 4 16.696 67.253 90.701 1.00 33.01 C +ATOM 15952 OE1 GLU I 4 17.096 66.151 90.257 1.00 41.59 O +ATOM 15953 OE2 GLU I 4 15.522 67.441 91.056 1.00 34.79 O +ATOM 15954 N VAL I 5 21.214 69.762 92.203 1.00 21.56 N +ATOM 15955 CA VAL I 5 21.494 70.231 93.564 1.00 20.71 C +ATOM 15956 C VAL I 5 22.872 70.829 93.776 1.00 20.52 C +ATOM 15957 O VAL I 5 23.160 71.292 94.863 1.00 20.19 O +ATOM 15958 CB VAL I 5 21.262 69.107 94.613 1.00 21.11 C +ATOM 15959 CG1 VAL I 5 19.836 68.510 94.454 1.00 19.65 C +ATOM 15960 CG2 VAL I 5 22.344 68.038 94.540 1.00 16.27 C +ATOM 15961 N ASP I 6 23.703 70.854 92.736 1.00 19.47 N +ATOM 15962 CA ASP I 6 25.051 71.341 92.852 1.00 19.68 C +ATOM 15963 C ASP I 6 25.310 72.520 91.880 1.00 20.02 C +ATOM 15964 O ASP I 6 25.693 72.310 90.721 1.00 20.31 O +ATOM 15965 CB ASP I 6 26.082 70.191 92.661 1.00 17.32 C +ATOM 15966 CG ASP I 6 27.506 70.638 92.926 1.00 20.36 C +ATOM 15967 OD1 ASP I 6 27.684 71.764 93.383 1.00 22.76 O +ATOM 15968 OD2 ASP I 6 28.466 69.894 92.669 1.00 24.65 O +ATOM 15969 N LEU I 7 25.179 73.749 92.391 1.00 18.83 N +ATOM 15970 CA LEU I 7 25.324 74.949 91.546 1.00 19.89 C +ATOM 15971 C LEU I 7 26.662 75.038 90.830 1.00 20.61 C +ATOM 15972 O LEU I 7 26.746 75.635 89.756 1.00 22.13 O +ATOM 15973 CB LEU I 7 25.100 76.273 92.319 1.00 20.09 C +ATOM 15974 CG LEU I 7 24.761 77.447 91.386 1.00 17.50 C +ATOM 15975 CD1 LEU I 7 23.330 77.340 90.973 1.00 10.16 C +ATOM 15976 CD2 LEU I 7 25.098 78.807 91.993 1.00 17.97 C +ATOM 15977 N SER I 8 27.697 74.470 91.429 1.00 20.83 N +ATOM 15978 CA SER I 8 29.038 74.495 90.869 1.00 21.76 C +ATOM 15979 C SER I 8 29.122 73.853 89.466 1.00 22.74 C +ATOM 15980 O SER I 8 30.042 74.157 88.702 1.00 23.57 O +ATOM 15981 CB SER I 8 30.018 73.797 91.834 1.00 21.80 C +ATOM 15982 OG SER I 8 30.172 74.530 93.049 1.00 22.66 O +ATOM 15983 N VAL I 9 28.202 72.958 89.140 1.00 22.19 N +ATOM 15984 CA VAL I 9 28.163 72.353 87.796 1.00 22.98 C +ATOM 15985 C VAL I 9 26.852 72.616 87.017 1.00 24.10 C +ATOM 15986 O VAL I 9 26.736 72.218 85.858 1.00 27.37 O +ATOM 15987 CB VAL I 9 28.421 70.826 87.847 1.00 23.26 C +ATOM 15988 CG1 VAL I 9 29.843 70.528 88.361 1.00 21.17 C +ATOM 15989 CG2 VAL I 9 27.396 70.144 88.678 1.00 21.42 C +ATOM 15990 N SER I 10 25.899 73.320 87.629 1.00 22.57 N +ATOM 15991 CA SER I 10 24.580 73.468 87.095 1.00 21.63 C +ATOM 15992 C SER I 10 24.482 74.638 86.101 1.00 22.73 C +ATOM 15993 O SER I 10 25.375 75.467 85.997 1.00 22.44 O +ATOM 15994 CB SER I 10 23.595 73.698 88.232 1.00 21.53 C +ATOM 15995 OG SER I 10 22.283 73.486 87.755 1.00 29.24 O +ATOM 15996 N CYS I 11 23.361 74.680 85.387 1.00 22.79 N +ATOM 15997 CA CYS I 11 23.024 75.743 84.454 1.00 23.32 C +ATOM 15998 C CYS I 11 21.551 76.087 84.591 1.00 22.97 C +ATOM 15999 O CYS I 11 20.802 75.303 85.131 1.00 23.52 O +ATOM 16000 CB CYS I 11 23.309 75.303 83.028 1.00 22.49 C +ATOM 16001 SG CYS I 11 22.497 73.783 82.636 1.00 27.05 S +ATOM 16002 N LEU I 12 21.154 77.256 84.088 1.00 23.09 N +ATOM 16003 CA LEU I 12 19.786 77.766 84.286 1.00 24.05 C +ATOM 16004 C LEU I 12 18.709 76.838 83.745 1.00 25.41 C +ATOM 16005 O LEU I 12 17.626 76.745 84.333 1.00 26.23 O +ATOM 16006 CB LEU I 12 19.620 79.166 83.674 1.00 23.28 C +ATOM 16007 CG LEU I 12 18.236 79.797 83.822 1.00 25.09 C +ATOM 16008 CD1 LEU I 12 17.897 80.016 85.309 1.00 22.92 C +ATOM 16009 CD2 LEU I 12 18.126 81.086 83.056 1.00 24.59 C +ATOM 16010 N GLY I 13 19.008 76.160 82.644 1.00 26.07 N +ATOM 16011 CA GLY I 13 18.072 75.244 81.995 1.00 26.67 C +ATOM 16012 C GLY I 13 17.658 74.084 82.866 1.00 28.27 C +ATOM 16013 O GLY I 13 16.504 73.635 82.808 1.00 28.63 O +ATOM 16014 N LYS I 14 18.599 73.578 83.662 1.00 28.88 N +ATOM 16015 CA LYS I 14 18.371 72.439 84.548 1.00 30.04 C +ATOM 16016 C LYS I 14 17.611 72.885 85.798 1.00 30.98 C +ATOM 16017 O LYS I 14 16.956 72.070 86.423 1.00 35.39 O +ATOM 16018 CB LYS I 14 19.709 71.777 84.947 1.00 28.96 C +ATOM 16019 N VAL I 15 17.695 74.162 86.169 1.00 29.39 N +ATOM 16020 CA VAL I 15 17.106 74.619 87.438 1.00 28.54 C +ATOM 16021 C VAL I 15 15.796 75.382 87.307 1.00 29.16 C +ATOM 16022 O VAL I 15 14.979 75.345 88.207 1.00 27.36 O +ATOM 16023 CB VAL I 15 18.099 75.484 88.293 1.00 29.30 C +ATOM 16024 CG1 VAL I 15 19.463 74.782 88.442 1.00 26.00 C +ATOM 16025 CG2 VAL I 15 18.233 76.895 87.746 1.00 23.49 C +ATOM 16026 N LYS I 16 15.587 76.068 86.196 1.00 31.06 N +ATOM 16027 CA LYS I 16 14.575 77.142 86.170 1.00 34.85 C +ATOM 16028 C LYS I 16 13.133 76.691 86.396 1.00 34.97 C +ATOM 16029 O LYS I 16 12.337 77.484 86.877 1.00 35.23 O +ATOM 16030 CB LYS I 16 14.675 78.000 84.893 1.00 34.59 C +ATOM 16031 CG LYS I 16 14.380 77.266 83.596 1.00 35.91 C +ATOM 16032 CD LYS I 16 14.020 78.254 82.465 1.00 40.53 C +ATOM 16033 CE LYS I 16 13.360 77.502 81.295 1.00 51.54 C +ATOM 16034 NZ LYS I 16 12.522 78.380 80.435 1.00 56.49 N +ATOM 16035 N GLU I 17 12.811 75.440 86.085 1.00 35.91 N +ATOM 16036 CA GLU I 17 11.449 74.937 86.273 1.00 39.88 C +ATOM 16037 C GLU I 17 11.251 74.134 87.587 1.00 38.69 C +ATOM 16038 O GLU I 17 10.146 73.639 87.846 1.00 39.48 O +ATOM 16039 CB GLU I 17 11.014 74.094 85.045 1.00 43.08 C +ATOM 16040 CG GLU I 17 10.862 74.902 83.680 1.00 48.83 C +ATOM 16041 CD GLU I 17 9.811 76.033 83.742 1.00 57.19 C +ATOM 16042 OE1 GLU I 17 8.595 75.728 83.880 1.00 62.02 O +ATOM 16043 OE2 GLU I 17 10.200 77.229 83.644 1.00 61.14 O +ATOM 16044 N LEU I 18 12.299 74.018 88.405 1.00 35.50 N +ATOM 16045 CA LEU I 18 12.249 73.205 89.629 1.00 33.02 C +ATOM 16046 C LEU I 18 12.006 74.075 90.860 1.00 31.78 C +ATOM 16047 O LEU I 18 12.458 75.211 90.920 1.00 32.35 O +ATOM 16048 CB LEU I 18 13.534 72.392 89.799 1.00 31.26 C +ATOM 16049 CG LEU I 18 13.912 71.492 88.629 1.00 30.26 C +ATOM 16050 CD1 LEU I 18 15.131 70.678 88.933 1.00 21.87 C +ATOM 16051 CD2 LEU I 18 12.753 70.572 88.287 1.00 29.79 C +ATOM 16052 N LYS I 19 11.248 73.543 91.822 1.00 30.67 N +ATOM 16053 CA LYS I 19 11.066 74.198 93.108 1.00 29.81 C +ATOM 16054 C LYS I 19 12.226 73.835 94.018 1.00 26.91 C +ATOM 16055 O LYS I 19 12.560 72.656 94.176 1.00 24.09 O +ATOM 16056 CB LYS I 19 9.773 73.727 93.775 1.00 33.71 C +ATOM 16057 CG LYS I 19 9.472 74.382 95.154 1.00 39.29 C +ATOM 16058 CD LYS I 19 8.798 75.731 95.011 1.00 47.32 C +ATOM 16059 CE LYS I 19 8.469 76.363 96.363 1.00 52.81 C +ATOM 16060 NZ LYS I 19 7.564 77.576 96.200 1.00 53.74 N +ATOM 16061 N TYR I 20 12.813 74.851 94.630 1.00 25.37 N +ATOM 16062 CA TYR I 20 13.848 74.651 95.641 1.00 24.60 C +ATOM 16063 C TYR I 20 13.297 75.064 96.990 1.00 23.95 C +ATOM 16064 O TYR I 20 12.636 76.093 97.095 1.00 25.66 O +ATOM 16065 CB TYR I 20 15.137 75.398 95.264 1.00 24.49 C +ATOM 16066 CG TYR I 20 15.846 74.711 94.122 1.00 21.24 C +ATOM 16067 CD1 TYR I 20 15.543 75.024 92.812 1.00 20.62 C +ATOM 16068 CD2 TYR I 20 16.784 73.722 94.360 1.00 20.13 C +ATOM 16069 CE1 TYR I 20 16.156 74.381 91.770 1.00 22.88 C +ATOM 16070 CE2 TYR I 20 17.399 73.060 93.321 1.00 16.47 C +ATOM 16071 CZ TYR I 20 17.072 73.385 92.030 1.00 17.29 C +ATOM 16072 OH TYR I 20 17.674 72.749 91.001 1.00 19.54 O +ATOM 16073 N ASP I 21 13.543 74.221 97.996 1.00 24.82 N +ATOM 16074 CA ASP I 21 12.996 74.387 99.353 1.00 26.08 C +ATOM 16075 C ASP I 21 13.993 75.046 100.306 1.00 25.85 C +ATOM 16076 O ASP I 21 13.622 75.921 101.069 1.00 27.62 O +ATOM 16077 CB ASP I 21 12.564 73.018 99.921 1.00 27.20 C +ATOM 16078 CG ASP I 21 11.450 72.339 99.094 1.00 30.07 C +ATOM 16079 OD1 ASP I 21 10.321 72.870 99.076 1.00 35.88 O +ATOM 16080 OD2 ASP I 21 11.702 71.262 98.484 1.00 33.88 O +ATOM 16081 N VAL I 22 15.254 74.619 100.264 1.00 24.23 N +ATOM 16082 CA VAL I 22 16.295 75.134 101.141 1.00 22.83 C +ATOM 16083 C VAL I 22 17.577 75.399 100.345 1.00 21.89 C +ATOM 16084 O VAL I 22 17.912 74.641 99.426 1.00 20.69 O +ATOM 16085 CB VAL I 22 16.588 74.160 102.335 1.00 22.43 C +ATOM 16086 CG1 VAL I 22 17.646 74.751 103.286 1.00 21.28 C +ATOM 16087 CG2 VAL I 22 15.309 73.886 103.127 1.00 23.02 C +ATOM 16088 N ILE I 23 18.282 76.482 100.677 1.00 19.85 N +ATOM 16089 CA ILE I 23 19.588 76.784 100.068 1.00 18.33 C +ATOM 16090 C ILE I 23 20.682 76.429 101.055 1.00 18.16 C +ATOM 16091 O ILE I 23 20.572 76.741 102.255 1.00 18.35 O +ATOM 16092 CB ILE I 23 19.732 78.268 99.701 1.00 18.40 C +ATOM 16093 CG1 ILE I 23 18.490 78.766 98.959 1.00 17.87 C +ATOM 16094 CG2 ILE I 23 20.977 78.507 98.827 1.00 12.72 C +ATOM 16095 CD1 ILE I 23 18.225 78.022 97.668 1.00 21.59 C +ATOM 16096 N ILE I 24 21.737 75.783 100.564 1.00 17.50 N +ATOM 16097 CA ILE I 24 22.859 75.393 101.414 1.00 17.53 C +ATOM 16098 C ILE I 24 24.075 76.155 100.915 1.00 16.86 C +ATOM 16099 O ILE I 24 24.456 76.039 99.751 1.00 17.06 O +ATOM 16100 CB ILE I 24 23.153 73.859 101.424 1.00 17.30 C +ATOM 16101 CG1 ILE I 24 21.880 73.005 101.595 1.00 23.28 C +ATOM 16102 CG2 ILE I 24 24.238 73.498 102.508 1.00 11.08 C +ATOM 16103 CD1 ILE I 24 21.125 73.280 102.831 1.00 26.69 C +ATOM 16104 N LEU I 25 24.666 76.954 101.790 1.00 17.07 N +ATOM 16105 CA LEU I 25 25.854 77.743 101.465 1.00 17.24 C +ATOM 16106 C LEU I 25 27.087 77.098 102.148 1.00 17.72 C +ATOM 16107 O LEU I 25 27.327 77.265 103.332 1.00 18.57 O +ATOM 16108 CB LEU I 25 25.650 79.234 101.844 1.00 13.70 C +ATOM 16109 CG LEU I 25 26.872 80.173 101.616 1.00 17.64 C +ATOM 16110 CD1 LEU I 25 27.203 80.358 100.181 1.00 12.65 C +ATOM 16111 CD2 LEU I 25 26.672 81.515 102.300 1.00 14.53 C +ATOM 16112 N PRO I 26 27.873 76.335 101.394 1.00 18.70 N +ATOM 16113 CA PRO I 26 29.101 75.889 102.028 1.00 18.21 C +ATOM 16114 C PRO I 26 30.065 77.080 102.232 1.00 18.44 C +ATOM 16115 O PRO I 26 30.172 77.947 101.370 1.00 18.73 O +ATOM 16116 CB PRO I 26 29.670 74.850 101.033 1.00 19.15 C +ATOM 16117 CG PRO I 26 28.663 74.625 100.017 1.00 19.22 C +ATOM 16118 CD PRO I 26 27.775 75.866 99.997 1.00 19.18 C +ATOM 16119 N TRP I 27 30.750 77.140 103.364 1.00 18.74 N +ATOM 16120 CA TRP I 27 31.622 78.271 103.653 1.00 17.41 C +ATOM 16121 C TRP I 27 32.891 77.729 104.239 1.00 16.39 C +ATOM 16122 O TRP I 27 32.884 77.124 105.305 1.00 17.18 O +ATOM 16123 CB TRP I 27 30.962 79.259 104.631 1.00 16.79 C +ATOM 16124 CG TRP I 27 31.598 80.648 104.594 1.00 13.91 C +ATOM 16125 CD1 TRP I 27 32.933 80.938 104.644 1.00 16.62 C +ATOM 16126 CD2 TRP I 27 30.923 81.909 104.445 1.00 12.46 C +ATOM 16127 NE1 TRP I 27 33.128 82.288 104.567 1.00 16.16 N +ATOM 16128 CE2 TRP I 27 31.910 82.910 104.447 1.00 17.53 C +ATOM 16129 CE3 TRP I 27 29.569 82.292 104.348 1.00 18.42 C +ATOM 16130 CZ2 TRP I 27 31.593 84.276 104.328 1.00 17.57 C +ATOM 16131 CZ3 TRP I 27 29.258 83.633 104.224 1.00 15.42 C +ATOM 16132 CH2 TRP I 27 30.268 84.608 104.222 1.00 15.66 C +ATOM 16133 N GLY I 28 33.994 78.031 103.582 1.00 16.51 N +ATOM 16134 CA GLY I 28 35.287 77.437 103.907 1.00 16.69 C +ATOM 16135 C GLY I 28 36.367 78.435 104.208 1.00 17.07 C +ATOM 16136 O GLY I 28 36.180 79.373 105.010 1.00 16.92 O +ATOM 16137 N ALA I 29 37.538 78.188 103.640 1.00 17.60 N +ATOM 16138 CA ALA I 29 38.707 79.015 103.890 1.00 17.02 C +ATOM 16139 C ALA I 29 39.767 78.645 102.850 1.00 17.55 C +ATOM 16140 O ALA I 29 39.685 77.578 102.254 1.00 17.74 O +ATOM 16141 CB ALA I 29 39.211 78.784 105.298 1.00 15.77 C +ATOM 16142 N THR I 30 40.738 79.539 102.642 1.00 18.50 N +ATOM 16143 CA THR I 30 41.951 79.272 101.841 1.00 18.64 C +ATOM 16144 C THR I 30 43.112 79.224 102.823 1.00 19.87 C +ATOM 16145 O THR I 30 43.564 80.249 103.308 1.00 19.08 O +ATOM 16146 CB THR I 30 42.182 80.378 100.797 1.00 19.84 C +ATOM 16147 OG1 THR I 30 41.037 80.449 99.977 1.00 18.34 O +ATOM 16148 CG2 THR I 30 43.428 80.124 99.915 1.00 14.25 C +ATOM 16149 N GLU I 31 43.519 78.012 103.181 1.00 20.57 N +ATOM 16150 CA GLU I 31 44.258 77.784 104.414 1.00 20.76 C +ATOM 16151 C GLU I 31 45.127 76.544 104.261 1.00 21.09 C +ATOM 16152 O GLU I 31 44.625 75.489 103.917 1.00 20.85 O +ATOM 16153 CB GLU I 31 43.279 77.571 105.585 1.00 21.49 C +ATOM 16154 CG GLU I 31 43.923 77.369 106.966 1.00 20.93 C +ATOM 16155 CD GLU I 31 42.935 77.048 108.064 1.00 24.59 C +ATOM 16156 OE1 GLU I 31 41.927 76.328 107.808 1.00 22.92 O +ATOM 16157 OE2 GLU I 31 43.193 77.495 109.201 1.00 24.51 O +ATOM 16158 N PRO I 32 46.438 76.675 104.531 1.00 22.45 N +ATOM 16159 CA PRO I 32 47.306 75.506 104.598 1.00 22.14 C +ATOM 16160 C PRO I 32 46.802 74.446 105.586 1.00 21.40 C +ATOM 16161 O PRO I 32 46.431 74.786 106.705 1.00 20.28 O +ATOM 16162 CB PRO I 32 48.634 76.087 105.075 1.00 20.86 C +ATOM 16163 CG PRO I 32 48.602 77.505 104.725 1.00 23.62 C +ATOM 16164 CD PRO I 32 47.180 77.938 104.697 1.00 22.19 C +ATOM 16165 N HIS I 33 46.775 73.181 105.158 1.00 20.33 N +ATOM 16166 CA HIS I 33 46.328 72.065 106.014 1.00 19.66 C +ATOM 16167 C HIS I 33 47.416 71.001 106.199 1.00 20.44 C +ATOM 16168 O HIS I 33 47.403 69.986 105.503 1.00 17.98 O +ATOM 16169 CB HIS I 33 45.104 71.406 105.409 1.00 17.77 C +ATOM 16170 CG HIS I 33 43.817 72.074 105.755 1.00 17.46 C +ATOM 16171 ND1 HIS I 33 43.466 73.318 105.279 1.00 16.40 N +ATOM 16172 CD2 HIS I 33 42.780 71.646 106.509 1.00 18.91 C +ATOM 16173 CE1 HIS I 33 42.271 73.629 105.738 1.00 23.50 C +ATOM 16174 NE2 HIS I 33 41.838 72.636 106.498 1.00 15.73 N +ATOM 16175 N ASN I 34 48.351 71.233 107.133 1.00 20.93 N +ATOM 16176 CA ASN I 34 49.555 70.393 107.252 1.00 22.21 C +ATOM 16177 C ASN I 34 50.242 70.478 105.883 1.00 23.69 C +ATOM 16178 O ASN I 34 49.982 71.428 105.130 1.00 24.40 O +ATOM 16179 CB ASN I 34 49.182 68.954 107.691 1.00 20.63 C +ATOM 16180 CG ASN I 34 50.369 68.135 108.281 1.00 21.84 C +ATOM 16181 OD1 ASN I 34 51.435 68.001 107.674 1.00 17.38 O +ATOM 16182 ND2 ASN I 34 50.127 67.514 109.425 1.00 19.11 N +ATOM 16183 N LEU I 35 51.121 69.531 105.554 1.00 23.99 N +ATOM 16184 CA LEU I 35 51.848 69.552 104.285 1.00 23.08 C +ATOM 16185 C LEU I 35 51.061 68.869 103.187 1.00 22.04 C +ATOM 16186 O LEU I 35 51.349 69.081 102.031 1.00 24.17 O +ATOM 16187 CB LEU I 35 53.232 68.866 104.418 1.00 21.99 C +ATOM 16188 CG LEU I 35 54.254 69.533 105.349 1.00 25.41 C +ATOM 16189 CD1 LEU I 35 55.608 68.747 105.555 1.00 22.12 C +ATOM 16190 CD2 LEU I 35 54.511 70.950 104.827 1.00 22.25 C +ATOM 16191 N HIS I 36 50.038 68.097 103.550 1.00 22.28 N +ATOM 16192 CA HIS I 36 49.468 67.091 102.666 1.00 22.12 C +ATOM 16193 C HIS I 36 48.037 67.378 102.143 1.00 22.35 C +ATOM 16194 O HIS I 36 47.606 66.816 101.147 1.00 22.77 O +ATOM 16195 CB HIS I 36 49.513 65.732 103.373 1.00 20.39 C +ATOM 16196 CG HIS I 36 48.532 65.587 104.493 1.00 19.60 C +ATOM 16197 ND1 HIS I 36 48.480 66.465 105.556 1.00 21.79 N +ATOM 16198 CD2 HIS I 36 47.593 64.640 104.737 1.00 16.42 C +ATOM 16199 CE1 HIS I 36 47.509 66.098 106.375 1.00 22.95 C +ATOM 16200 NE2 HIS I 36 46.977 64.975 105.915 1.00 20.90 N +ATOM 16201 N LEU I 37 47.282 68.214 102.829 1.00 21.33 N +ATOM 16202 CA LEU I 37 45.891 68.388 102.466 1.00 20.28 C +ATOM 16203 C LEU I 37 45.755 69.685 101.664 1.00 19.94 C +ATOM 16204 O LEU I 37 46.566 70.599 101.827 1.00 20.03 O +ATOM 16205 CB LEU I 37 45.012 68.385 103.699 1.00 19.29 C +ATOM 16206 CG LEU I 37 44.546 67.043 104.270 1.00 20.68 C +ATOM 16207 CD1 LEU I 37 43.925 67.328 105.614 1.00 18.01 C +ATOM 16208 CD2 LEU I 37 43.555 66.247 103.375 1.00 21.53 C +ATOM 16209 N PRO I 38 44.753 69.755 100.771 1.00 20.86 N +ATOM 16210 CA PRO I 38 44.550 70.915 99.901 1.00 20.68 C +ATOM 16211 C PRO I 38 44.248 72.220 100.652 1.00 19.77 C +ATOM 16212 O PRO I 38 43.618 72.200 101.710 1.00 18.67 O +ATOM 16213 CB PRO I 38 43.344 70.518 99.069 1.00 20.99 C +ATOM 16214 CG PRO I 38 43.234 69.074 99.202 1.00 23.65 C +ATOM 16215 CD PRO I 38 43.782 68.695 100.497 1.00 17.47 C +ATOM 16216 N TYR I 39 44.721 73.331 100.096 1.00 19.26 N +ATOM 16217 CA TYR I 39 44.404 74.659 100.577 1.00 18.66 C +ATOM 16218 C TYR I 39 42.904 74.896 100.705 1.00 18.40 C +ATOM 16219 O TYR I 39 42.488 75.624 101.612 1.00 18.44 O +ATOM 16220 CB TYR I 39 44.981 75.697 99.642 1.00 17.89 C +ATOM 16221 CG TYR I 39 46.401 76.095 99.967 1.00 19.47 C +ATOM 16222 CD1 TYR I 39 47.478 75.331 99.527 1.00 19.62 C +ATOM 16223 CD2 TYR I 39 46.668 77.238 100.708 1.00 16.74 C +ATOM 16224 CE1 TYR I 39 48.817 75.725 99.797 1.00 21.89 C +ATOM 16225 CE2 TYR I 39 47.977 77.627 100.994 1.00 22.51 C +ATOM 16226 CZ TYR I 39 49.055 76.876 100.525 1.00 20.88 C +ATOM 16227 OH TYR I 39 50.356 77.278 100.827 1.00 21.93 O +ATOM 16228 N LEU I 40 42.114 74.263 99.825 1.00 18.09 N +ATOM 16229 CA LEU I 40 40.651 74.402 99.835 1.00 17.40 C +ATOM 16230 C LEU I 40 39.881 73.291 100.576 1.00 17.93 C +ATOM 16231 O LEU I 40 38.670 73.154 100.407 1.00 17.91 O +ATOM 16232 CB LEU I 40 40.135 74.580 98.405 1.00 15.37 C +ATOM 16233 CG LEU I 40 40.422 75.898 97.659 1.00 18.76 C +ATOM 16234 CD1 LEU I 40 39.874 75.833 96.208 1.00 19.03 C +ATOM 16235 CD2 LEU I 40 39.828 77.129 98.390 1.00 15.90 C +ATOM 16236 N THR I 41 40.551 72.560 101.462 1.00 18.49 N +ATOM 16237 CA THR I 41 39.875 71.499 102.264 1.00 18.45 C +ATOM 16238 C THR I 41 38.537 71.967 102.877 1.00 18.73 C +ATOM 16239 O THR I 41 37.546 71.252 102.803 1.00 18.16 O +ATOM 16240 CB THR I 41 40.814 70.890 103.360 1.00 18.46 C +ATOM 16241 OG1 THR I 41 41.916 70.227 102.740 1.00 18.31 O +ATOM 16242 CG2 THR I 41 40.102 69.873 104.226 1.00 15.35 C +ATOM 16243 N ASP I 42 38.514 73.188 103.416 1.00 19.15 N +ATOM 16244 CA ASP I 42 37.373 73.679 104.173 1.00 17.84 C +ATOM 16245 C ASP I 42 36.202 74.074 103.324 1.00 18.27 C +ATOM 16246 O ASP I 42 35.097 74.203 103.840 1.00 18.41 O +ATOM 16247 CB ASP I 42 37.788 74.842 105.040 1.00 19.65 C +ATOM 16248 CG ASP I 42 38.719 74.419 106.154 1.00 18.54 C +ATOM 16249 OD1 ASP I 42 38.964 73.181 106.300 1.00 20.46 O +ATOM 16250 OD2 ASP I 42 39.179 75.309 106.892 1.00 19.70 O +ATOM 16251 N CYS I 43 36.451 74.230 102.029 1.00 18.09 N +ATOM 16252 CA CYS I 43 35.434 74.433 101.038 1.00 19.86 C +ATOM 16253 C CYS I 43 34.954 73.128 100.458 1.00 19.05 C +ATOM 16254 O CYS I 43 33.786 72.981 100.246 1.00 19.14 O +ATOM 16255 CB CYS I 43 35.965 75.289 99.871 1.00 21.42 C +ATOM 16256 SG CYS I 43 36.395 76.956 100.305 1.00 23.15 S +ATOM 16257 N ILE I 44 35.868 72.241 100.114 1.00 18.39 N +ATOM 16258 CA ILE I 44 35.551 70.983 99.450 1.00 18.65 C +ATOM 16259 C ILE I 44 34.724 70.073 100.349 1.00 19.60 C +ATOM 16260 O ILE I 44 33.714 69.540 99.924 1.00 20.33 O +ATOM 16261 CB ILE I 44 36.847 70.236 98.997 1.00 19.48 C +ATOM 16262 CG1 ILE I 44 37.638 71.080 97.971 1.00 17.55 C +ATOM 16263 CG2 ILE I 44 36.507 68.811 98.468 1.00 17.16 C +ATOM 16264 CD1 ILE I 44 39.104 70.642 97.741 1.00 16.47 C +ATOM 16265 N LEU I 45 35.116 69.900 101.610 1.00 19.07 N +ATOM 16266 CA LEU I 45 34.408 68.912 102.422 1.00 19.05 C +ATOM 16267 C LEU I 45 32.963 69.292 102.692 1.00 18.17 C +ATOM 16268 O LEU I 45 32.097 68.474 102.470 1.00 18.53 O +ATOM 16269 CB LEU I 45 35.151 68.551 103.707 1.00 18.29 C +ATOM 16270 CG LEU I 45 36.538 67.935 103.477 1.00 20.86 C +ATOM 16271 CD1 LEU I 45 37.143 67.663 104.798 1.00 15.87 C +ATOM 16272 CD2 LEU I 45 36.489 66.684 102.627 1.00 15.65 C +ATOM 16273 N PRO I 46 32.688 70.515 103.170 1.00 18.37 N +ATOM 16274 CA PRO I 46 31.277 70.799 103.366 1.00 18.55 C +ATOM 16275 C PRO I 46 30.485 70.829 102.056 1.00 18.26 C +ATOM 16276 O PRO I 46 29.297 70.566 102.060 1.00 20.48 O +ATOM 16277 CB PRO I 46 31.301 72.180 104.069 1.00 17.93 C +ATOM 16278 CG PRO I 46 32.535 72.804 103.593 1.00 17.39 C +ATOM 16279 CD PRO I 46 33.514 71.660 103.585 1.00 18.49 C +ATOM 16280 N HIS I 47 31.129 71.172 100.943 1.00 19.74 N +ATOM 16281 CA HIS I 47 30.456 71.076 99.631 1.00 21.01 C +ATOM 16282 C HIS I 47 29.980 69.655 99.312 1.00 19.59 C +ATOM 16283 O HIS I 47 28.807 69.420 98.966 1.00 19.16 O +ATOM 16284 CB HIS I 47 31.375 71.533 98.507 1.00 20.10 C +ATOM 16285 CG HIS I 47 30.781 71.339 97.143 1.00 22.81 C +ATOM 16286 ND1 HIS I 47 30.935 70.173 96.422 1.00 23.40 N +ATOM 16287 CD2 HIS I 47 30.009 72.152 96.383 1.00 23.17 C +ATOM 16288 CE1 HIS I 47 30.302 70.287 95.267 1.00 23.69 C +ATOM 16289 NE2 HIS I 47 29.739 71.479 95.217 1.00 24.86 N +ATOM 16290 N ASP I 48 30.891 68.709 99.441 1.00 20.71 N +ATOM 16291 CA ASP I 48 30.590 67.310 99.091 1.00 21.22 C +ATOM 16292 C ASP I 48 29.568 66.673 100.026 1.00 20.60 C +ATOM 16293 O ASP I 48 28.649 65.970 99.590 1.00 21.53 O +ATOM 16294 CB ASP I 48 31.873 66.512 99.074 1.00 23.49 C +ATOM 16295 CG ASP I 48 32.797 66.927 97.916 1.00 27.82 C +ATOM 16296 OD1 ASP I 48 32.409 67.767 97.046 1.00 30.96 O +ATOM 16297 OD2 ASP I 48 33.914 66.415 97.904 1.00 28.01 O +ATOM 16298 N ILE I 49 29.689 66.966 101.309 1.00 20.01 N +ATOM 16299 CA ILE I 49 28.714 66.490 102.292 1.00 18.68 C +ATOM 16300 C ILE I 49 27.328 67.104 102.027 1.00 19.73 C +ATOM 16301 O ILE I 49 26.312 66.431 102.166 1.00 19.79 O +ATOM 16302 CB ILE I 49 29.197 66.820 103.734 1.00 19.06 C +ATOM 16303 CG1 ILE I 49 30.467 66.018 104.069 1.00 19.49 C +ATOM 16304 CG2 ILE I 49 28.133 66.527 104.773 1.00 20.01 C +ATOM 16305 CD1 ILE I 49 31.216 66.499 105.275 1.00 16.21 C +ATOM 16306 N ALA I 50 27.289 68.400 101.705 1.00 19.66 N +ATOM 16307 CA ALA I 50 26.020 69.074 101.469 1.00 19.17 C +ATOM 16308 C ALA I 50 25.313 68.455 100.264 1.00 19.31 C +ATOM 16309 O ALA I 50 24.092 68.281 100.286 1.00 19.55 O +ATOM 16310 CB ALA I 50 26.206 70.597 101.253 1.00 14.99 C +ATOM 16311 N VAL I 51 26.087 68.133 99.221 1.00 19.47 N +ATOM 16312 CA VAL I 51 25.550 67.540 97.985 1.00 20.53 C +ATOM 16313 C VAL I 51 24.986 66.166 98.272 1.00 20.76 C +ATOM 16314 O VAL I 51 23.863 65.876 97.861 1.00 20.78 O +ATOM 16315 CB VAL I 51 26.625 67.521 96.837 1.00 19.13 C +ATOM 16316 CG1 VAL I 51 26.281 66.539 95.734 1.00 19.71 C +ATOM 16317 CG2 VAL I 51 26.771 68.890 96.279 1.00 15.84 C +ATOM 16318 N GLU I 52 25.725 65.340 99.021 1.00 21.32 N +ATOM 16319 CA GLU I 52 25.208 64.016 99.417 1.00 22.05 C +ATOM 16320 C GLU I 52 23.917 64.158 100.215 1.00 21.50 C +ATOM 16321 O GLU I 52 22.957 63.462 99.936 1.00 22.43 O +ATOM 16322 CB GLU I 52 26.210 63.207 100.234 1.00 22.32 C +ATOM 16323 CG GLU I 52 27.353 62.616 99.470 1.00 26.83 C +ATOM 16324 CD GLU I 52 28.012 61.406 100.193 1.00 29.44 C +ATOM 16325 OE1 GLU I 52 28.482 61.536 101.341 1.00 35.40 O +ATOM 16326 OE2 GLU I 52 28.091 60.317 99.582 1.00 52.68 O +ATOM 16327 N ALA I 53 23.896 65.091 101.169 1.00 20.49 N +ATOM 16328 CA ALA I 53 22.746 65.291 102.050 1.00 19.11 C +ATOM 16329 C ALA I 53 21.549 65.753 101.245 1.00 20.02 C +ATOM 16330 O ALA I 53 20.447 65.279 101.447 1.00 20.06 O +ATOM 16331 CB ALA I 53 23.077 66.305 103.150 1.00 17.08 C +ATOM 16332 N ALA I 54 21.789 66.681 100.324 1.00 20.22 N +ATOM 16333 CA ALA I 54 20.760 67.181 99.417 1.00 21.11 C +ATOM 16334 C ALA I 54 20.215 66.035 98.538 1.00 20.82 C +ATOM 16335 O ALA I 54 19.000 65.941 98.317 1.00 21.30 O +ATOM 16336 CB ALA I 54 21.328 68.312 98.567 1.00 17.15 C +ATOM 16337 N GLU I 55 21.114 65.169 98.061 1.00 22.25 N +ATOM 16338 CA GLU I 55 20.716 63.996 97.251 1.00 24.44 C +ATOM 16339 C GLU I 55 19.825 63.026 98.031 1.00 23.63 C +ATOM 16340 O GLU I 55 18.818 62.575 97.517 1.00 23.51 O +ATOM 16341 CB GLU I 55 21.953 63.260 96.669 1.00 24.17 C +ATOM 16342 CG GLU I 55 22.547 63.974 95.459 1.00 27.84 C +ATOM 16343 CD GLU I 55 23.929 63.450 94.989 1.00 28.98 C +ATOM 16344 OE1 GLU I 55 24.663 62.803 95.774 1.00 34.24 O +ATOM 16345 OE2 GLU I 55 24.273 63.728 93.809 1.00 33.25 O +ATOM 16346 N LEU I 56 20.191 62.765 99.281 1.00 23.60 N +ATOM 16347 CA LEU I 56 19.419 61.911 100.179 1.00 22.98 C +ATOM 16348 C LEU I 56 18.072 62.567 100.544 1.00 24.70 C +ATOM 16349 O LEU I 56 17.034 61.892 100.482 1.00 25.22 O +ATOM 16350 CB LEU I 56 20.254 61.556 101.423 1.00 24.28 C +ATOM 16351 CG LEU I 56 19.573 60.719 102.517 1.00 26.08 C +ATOM 16352 CD1 LEU I 56 19.279 59.308 101.971 1.00 25.36 C +ATOM 16353 CD2 LEU I 56 20.402 60.682 103.812 1.00 20.41 C +ATOM 16354 N ALA I 57 18.039 63.871 100.861 1.00 24.10 N +ATOM 16355 CA ALA I 57 16.729 64.477 101.181 1.00 24.23 C +ATOM 16356 C ALA I 57 15.750 64.423 99.986 1.00 24.92 C +ATOM 16357 O ALA I 57 14.529 64.231 100.149 1.00 25.98 O +ATOM 16358 CB ALA I 57 16.857 65.933 101.746 1.00 23.29 C +ATOM 16359 N LEU I 58 16.295 64.595 98.790 1.00 24.86 N +ATOM 16360 CA LEU I 58 15.502 64.598 97.575 1.00 25.93 C +ATOM 16361 C LEU I 58 14.944 63.207 97.259 1.00 26.67 C +ATOM 16362 O LEU I 58 13.758 63.069 96.972 1.00 26.99 O +ATOM 16363 CB LEU I 58 16.340 65.144 96.412 1.00 25.31 C +ATOM 16364 CG LEU I 58 15.678 65.214 95.056 1.00 24.93 C +ATOM 16365 CD1 LEU I 58 14.404 65.981 95.114 1.00 23.13 C +ATOM 16366 CD2 LEU I 58 16.677 65.888 94.111 1.00 26.91 C +ATOM 16367 N SER I 59 15.785 62.181 97.343 1.00 27.91 N +ATOM 16368 CA SER I 59 15.336 60.793 97.083 1.00 31.25 C +ATOM 16369 C SER I 59 14.378 60.274 98.129 1.00 31.88 C +ATOM 16370 O SER I 59 13.413 59.598 97.818 1.00 34.17 O +ATOM 16371 CB SER I 59 16.513 59.816 96.965 1.00 31.66 C +ATOM 16372 OG SER I 59 17.132 59.599 98.208 1.00 37.19 O +ATOM 16373 N ARG I 60 14.649 60.617 99.366 1.00 31.84 N +ATOM 16374 CA ARG I 60 13.923 60.113 100.522 1.00 32.26 C +ATOM 16375 C ARG I 60 12.599 60.859 100.743 1.00 31.79 C +ATOM 16376 O ARG I 60 11.593 60.259 101.080 1.00 33.13 O +ATOM 16377 CB ARG I 60 14.862 60.253 101.741 1.00 32.33 C +ATOM 16378 CG ARG I 60 14.264 59.955 103.069 1.00 35.77 C +ATOM 16379 CD ARG I 60 15.351 59.719 104.088 1.00 37.36 C +ATOM 16380 NE ARG I 60 15.876 60.925 104.737 1.00 37.01 N +ATOM 16381 CZ ARG I 60 16.755 60.875 105.734 1.00 33.37 C +ATOM 16382 NH1 ARG I 60 17.211 59.705 106.161 1.00 36.87 N +ATOM 16383 NH2 ARG I 60 17.190 61.979 106.303 1.00 39.61 N +ATOM 16384 N SER I 61 12.584 62.170 100.556 1.00 30.95 N +ATOM 16385 CA SER I 61 11.401 62.956 100.894 1.00 31.86 C +ATOM 16386 C SER I 61 10.876 63.884 99.802 1.00 29.54 C +ATOM 16387 O SER I 61 9.843 64.556 99.994 1.00 29.24 O +ATOM 16388 CB SER I 61 11.724 63.780 102.125 1.00 33.47 C +ATOM 16389 OG SER I 61 11.969 62.900 103.200 1.00 41.78 O +ATOM 16390 N GLY I 62 11.578 63.942 98.676 1.00 28.27 N +ATOM 16391 CA GLY I 62 11.257 64.867 97.631 1.00 27.97 C +ATOM 16392 C GLY I 62 11.518 66.310 98.014 1.00 28.28 C +ATOM 16393 O GLY I 62 10.967 67.212 97.393 1.00 29.58 O +ATOM 16394 N VAL I 63 12.347 66.539 99.036 1.00 27.68 N +ATOM 16395 CA VAL I 63 12.750 67.882 99.408 1.00 25.73 C +ATOM 16396 C VAL I 63 13.992 68.266 98.579 1.00 25.22 C +ATOM 16397 O VAL I 63 15.038 67.583 98.646 1.00 24.10 O +ATOM 16398 CB VAL I 63 13.039 67.985 100.942 1.00 24.98 C +ATOM 16399 CG1 VAL I 63 13.501 69.388 101.317 1.00 23.26 C +ATOM 16400 CG2 VAL I 63 11.814 67.639 101.714 1.00 24.93 C +ATOM 16401 N ARG I 64 13.885 69.353 97.805 1.00 24.23 N +ATOM 16402 CA ARG I 64 14.965 69.756 96.908 1.00 23.62 C +ATOM 16403 C ARG I 64 15.731 70.990 97.406 1.00 22.81 C +ATOM 16404 O ARG I 64 15.142 72.042 97.645 1.00 22.68 O +ATOM 16405 CB ARG I 64 14.418 70.023 95.499 1.00 25.32 C +ATOM 16406 CG ARG I 64 15.538 70.197 94.438 1.00 24.84 C +ATOM 16407 CD ARG I 64 14.984 70.493 93.043 1.00 26.22 C +ATOM 16408 NE ARG I 64 14.318 69.312 92.485 1.00 26.38 N +ATOM 16409 CZ ARG I 64 12.995 69.115 92.452 1.00 29.66 C +ATOM 16410 NH1 ARG I 64 12.135 69.991 92.954 1.00 29.58 N +ATOM 16411 NH2 ARG I 64 12.517 67.998 91.924 1.00 30.40 N +ATOM 16412 N CYS I 65 17.043 70.833 97.568 1.00 22.80 N +ATOM 16413 CA CYS I 65 17.934 71.861 98.118 1.00 23.20 C +ATOM 16414 C CYS I 65 19.003 72.213 97.091 1.00 22.65 C +ATOM 16415 O CYS I 65 19.412 71.369 96.314 1.00 24.03 O +ATOM 16416 CB CYS I 65 18.597 71.350 99.408 1.00 21.32 C +ATOM 16417 SG CYS I 65 17.392 70.871 100.698 1.00 27.51 S +HETATM16418 N MSE I 66 19.443 73.460 97.072 1.00 20.79 N +HETATM16419 CA MSE I 66 20.535 73.842 96.194 1.00 19.18 C +HETATM16420 C MSE I 66 21.782 74.151 97.000 1.00 18.81 C +HETATM16421 O MSE I 66 21.736 74.955 97.910 1.00 18.43 O +HETATM16422 CB MSE I 66 20.169 75.057 95.397 1.00 18.01 C +HETATM16423 CG MSE I 66 21.268 75.551 94.510 1.00 19.08 C +HETATM16424 SE MSE I 66 21.959 74.232 93.252 0.75 21.17 SE +HETATM16425 CE MSE I 66 20.525 74.291 91.930 1.00 14.37 C +ATOM 16426 N VAL I 67 22.875 73.489 96.669 1.00 18.64 N +ATOM 16427 CA VAL I 67 24.136 73.742 97.298 1.00 17.80 C +ATOM 16428 C VAL I 67 24.826 74.783 96.431 1.00 18.90 C +ATOM 16429 O VAL I 67 25.156 74.526 95.265 1.00 18.88 O +ATOM 16430 CB VAL I 67 24.954 72.462 97.418 1.00 18.50 C +ATOM 16431 CG1 VAL I 67 26.321 72.714 98.155 1.00 16.05 C +ATOM 16432 CG2 VAL I 67 24.107 71.411 98.091 1.00 15.47 C +HETATM16433 N MSE I 68 25.022 75.959 97.005 1.00 17.48 N +HETATM16434 CA MSE I 68 25.704 77.049 96.330 1.00 18.32 C +HETATM16435 C MSE I 68 27.214 76.789 96.244 1.00 18.89 C +HETATM16436 O MSE I 68 27.720 75.892 96.886 1.00 19.38 O +HETATM16437 CB MSE I 68 25.477 78.372 97.075 1.00 15.47 C +HETATM16438 CG MSE I 68 24.011 78.755 97.221 1.00 21.67 C +HETATM16439 SE MSE I 68 23.154 79.221 95.552 0.75 18.92 SE +HETATM16440 CE MSE I 68 24.103 81.051 95.270 1.00 17.57 C +ATOM 16441 N PRO I 69 27.928 77.578 95.430 1.00 19.60 N +ATOM 16442 CA PRO I 69 29.367 77.456 95.425 1.00 21.50 C +ATOM 16443 C PRO I 69 29.961 77.867 96.784 1.00 21.88 C +ATOM 16444 O PRO I 69 29.476 78.834 97.420 1.00 20.94 O +ATOM 16445 CB PRO I 69 29.798 78.433 94.314 1.00 21.70 C +ATOM 16446 CG PRO I 69 28.565 78.613 93.455 1.00 19.09 C +ATOM 16447 CD PRO I 69 27.471 78.593 94.461 1.00 19.56 C +ATOM 16448 N PRO I 70 30.984 77.137 97.230 1.00 22.40 N +ATOM 16449 CA PRO I 70 31.596 77.411 98.531 1.00 22.22 C +ATOM 16450 C PRO I 70 32.263 78.760 98.576 1.00 21.89 C +ATOM 16451 O PRO I 70 32.789 79.227 97.555 1.00 23.23 O +ATOM 16452 CB PRO I 70 32.617 76.283 98.680 1.00 23.29 C +ATOM 16453 CG PRO I 70 32.189 75.264 97.731 1.00 21.84 C +ATOM 16454 CD PRO I 70 31.614 75.968 96.588 1.00 22.94 C +ATOM 16455 N VAL I 71 32.199 79.409 99.740 1.00 21.23 N +ATOM 16456 CA VAL I 71 32.863 80.690 99.936 1.00 18.13 C +ATOM 16457 C VAL I 71 34.277 80.366 100.449 1.00 17.24 C +ATOM 16458 O VAL I 71 34.431 79.714 101.454 1.00 17.28 O +ATOM 16459 CB VAL I 71 32.044 81.597 100.872 1.00 19.42 C +ATOM 16460 CG1 VAL I 71 32.652 83.015 100.978 1.00 12.32 C +ATOM 16461 CG2 VAL I 71 30.575 81.665 100.383 1.00 14.60 C +ATOM 16462 N PRO I 72 35.325 80.762 99.713 1.00 17.17 N +ATOM 16463 CA PRO I 72 36.677 80.413 100.167 1.00 17.71 C +ATOM 16464 C PRO I 72 37.327 81.400 101.131 1.00 18.03 C +ATOM 16465 O PRO I 72 38.567 81.411 101.259 1.00 21.76 O +ATOM 16466 CB PRO I 72 37.461 80.363 98.845 1.00 17.77 C +ATOM 16467 CG PRO I 72 36.873 81.400 98.031 1.00 22.63 C +ATOM 16468 CD PRO I 72 35.371 81.518 98.451 1.00 17.21 C +ATOM 16469 N PHE I 73 36.526 82.225 101.808 1.00 17.60 N +ATOM 16470 CA PHE I 73 37.045 83.319 102.605 1.00 16.92 C +ATOM 16471 C PHE I 73 36.780 83.091 104.091 1.00 17.71 C +ATOM 16472 O PHE I 73 35.675 83.372 104.596 1.00 18.07 O +ATOM 16473 CB PHE I 73 36.446 84.645 102.138 1.00 18.17 C +ATOM 16474 CG PHE I 73 36.776 84.988 100.730 1.00 17.84 C +ATOM 16475 CD1 PHE I 73 38.079 85.367 100.381 1.00 22.77 C +ATOM 16476 CD2 PHE I 73 35.809 84.909 99.746 1.00 16.89 C +ATOM 16477 CE1 PHE I 73 38.395 85.663 99.063 1.00 23.40 C +ATOM 16478 CE2 PHE I 73 36.109 85.182 98.444 1.00 20.14 C +ATOM 16479 CZ PHE I 73 37.410 85.576 98.087 1.00 20.16 C +ATOM 16480 N GLY I 74 37.807 82.583 104.774 1.00 17.89 N +ATOM 16481 CA GLY I 74 37.784 82.290 106.191 1.00 17.38 C +ATOM 16482 C GLY I 74 38.485 83.316 107.057 1.00 17.03 C +ATOM 16483 O GLY I 74 39.303 84.093 106.563 1.00 16.53 O +ATOM 16484 N ALA I 75 38.173 83.274 108.355 1.00 16.59 N +ATOM 16485 CA ALA I 75 38.800 84.077 109.369 1.00 16.83 C +ATOM 16486 C ALA I 75 39.938 83.279 110.017 1.00 18.03 C +ATOM 16487 O ALA I 75 39.722 82.179 110.509 1.00 19.79 O +ATOM 16488 CB ALA I 75 37.731 84.495 110.436 1.00 15.67 C +ATOM 16489 N HIS I 76 41.137 83.846 110.060 1.00 19.20 N +ATOM 16490 CA HIS I 76 42.328 83.095 110.458 1.00 19.26 C +ATOM 16491 C HIS I 76 43.015 83.721 111.670 1.00 20.69 C +ATOM 16492 O HIS I 76 42.539 84.736 112.188 1.00 19.81 O +ATOM 16493 CB HIS I 76 43.243 82.888 109.221 1.00 17.97 C +ATOM 16494 CG HIS I 76 42.599 82.014 108.183 1.00 20.51 C +ATOM 16495 ND1 HIS I 76 42.378 80.670 108.382 1.00 17.59 N +ATOM 16496 CD2 HIS I 76 42.033 82.313 106.995 1.00 21.32 C +ATOM 16497 CE1 HIS I 76 41.749 80.175 107.336 1.00 26.31 C +ATOM 16498 NE2 HIS I 76 41.513 81.155 106.486 1.00 23.84 N +ATOM 16499 N ASN I 77 44.090 83.068 112.131 1.00 20.51 N +ATOM 16500 CA ASN I 77 44.711 83.298 113.445 1.00 20.97 C +ATOM 16501 C ASN I 77 46.040 83.958 113.220 1.00 21.92 C +ATOM 16502 O ASN I 77 46.606 83.858 112.127 1.00 22.03 O +ATOM 16503 CB ASN I 77 44.959 81.960 114.223 1.00 18.45 C +ATOM 16504 CG ASN I 77 43.702 81.448 114.961 1.00 22.09 C +ATOM 16505 OD1 ASN I 77 42.583 81.681 114.531 1.00 22.59 O +ATOM 16506 ND2 ASN I 77 43.900 80.720 116.057 1.00 19.39 N +ATOM 16507 N PRO I 78 46.571 84.607 114.274 1.00 23.31 N +ATOM 16508 CA PRO I 78 47.948 85.104 114.180 1.00 23.27 C +ATOM 16509 C PRO I 78 48.887 84.015 113.718 1.00 22.57 C +ATOM 16510 O PRO I 78 48.769 82.893 114.149 1.00 22.78 O +ATOM 16511 CB PRO I 78 48.249 85.502 115.626 1.00 23.81 C +ATOM 16512 CG PRO I 78 46.875 85.916 116.167 1.00 23.45 C +ATOM 16513 CD PRO I 78 45.979 84.881 115.608 1.00 22.08 C +ATOM 16514 N GLY I 79 49.810 84.330 112.831 1.00 22.18 N +ATOM 16515 CA GLY I 79 50.762 83.326 112.352 1.00 23.44 C +ATOM 16516 C GLY I 79 50.375 82.623 111.062 1.00 23.64 C +ATOM 16517 O GLY I 79 51.245 82.142 110.352 1.00 25.73 O +ATOM 16518 N GLN I 80 49.076 82.587 110.753 1.00 23.01 N +ATOM 16519 CA GLN I 80 48.568 81.913 109.590 1.00 23.39 C +ATOM 16520 C GLN I 80 48.628 82.803 108.346 1.00 24.64 C +ATOM 16521 O GLN I 80 48.807 82.320 107.227 1.00 24.74 O +ATOM 16522 CB GLN I 80 47.119 81.510 109.792 1.00 22.28 C +ATOM 16523 CG GLN I 80 46.874 80.421 110.759 1.00 20.60 C +ATOM 16524 CD GLN I 80 45.487 79.828 110.619 1.00 23.17 C +ATOM 16525 OE1 GLN I 80 44.495 80.372 111.112 1.00 24.75 O +ATOM 16526 NE2 GLN I 80 45.414 78.689 109.969 1.00 20.24 N +ATOM 16527 N ARG I 81 48.417 84.103 108.542 1.00 24.47 N +ATOM 16528 CA ARG I 81 48.386 85.040 107.441 1.00 26.60 C +ATOM 16529 C ARG I 81 49.752 85.098 106.714 1.00 26.15 C +ATOM 16530 O ARG I 81 49.809 85.356 105.532 1.00 27.32 O +ATOM 16531 CB ARG I 81 47.933 86.405 107.990 1.00 27.35 C +ATOM 16532 CG ARG I 81 47.663 87.451 106.959 1.00 28.17 C +ATOM 16533 CD ARG I 81 47.205 88.743 107.601 1.00 27.71 C +ATOM 16534 NE ARG I 81 48.236 89.396 108.419 1.00 35.14 N +ATOM 16535 CZ ARG I 81 48.265 90.705 108.719 1.00 35.08 C +ATOM 16536 NH1 ARG I 81 47.360 91.553 108.268 1.00 31.67 N +ATOM 16537 NH2 ARG I 81 49.221 91.177 109.489 1.00 38.68 N +ATOM 16538 N GLU I 82 50.841 84.822 107.423 1.00 26.87 N +ATOM 16539 CA GLU I 82 52.169 84.901 106.839 1.00 29.75 C +ATOM 16540 C GLU I 82 52.537 83.653 106.038 1.00 26.82 C +ATOM 16541 O GLU I 82 53.528 83.661 105.344 1.00 25.87 O +ATOM 16542 CB GLU I 82 53.227 85.187 107.923 1.00 31.69 C +ATOM 16543 CG GLU I 82 53.686 83.958 108.734 1.00 38.01 C +ATOM 16544 CD GLU I 82 54.267 84.299 110.139 1.00 39.98 C +ATOM 16545 OE1 GLU I 82 53.807 85.275 110.792 1.00 51.58 O +ATOM 16546 OE2 GLU I 82 55.150 83.537 110.604 1.00 49.61 O +ATOM 16547 N LEU I 83 51.741 82.590 106.134 1.00 25.05 N +ATOM 16548 CA LEU I 83 51.983 81.364 105.362 1.00 24.23 C +ATOM 16549 C LEU I 83 51.550 81.586 103.930 1.00 23.35 C +ATOM 16550 O LEU I 83 50.471 82.142 103.704 1.00 21.66 O +ATOM 16551 CB LEU I 83 51.183 80.188 105.962 1.00 25.32 C +ATOM 16552 CG LEU I 83 51.457 79.697 107.386 1.00 25.69 C +ATOM 16553 CD1 LEU I 83 50.343 78.701 107.847 1.00 21.31 C +ATOM 16554 CD2 LEU I 83 52.839 79.095 107.464 1.00 27.73 C +ATOM 16555 N PRO I 84 52.344 81.119 102.936 1.00 23.35 N +ATOM 16556 CA PRO I 84 51.938 81.468 101.552 1.00 22.71 C +ATOM 16557 C PRO I 84 50.524 81.030 101.175 1.00 21.45 C +ATOM 16558 O PRO I 84 50.103 79.887 101.458 1.00 21.46 O +ATOM 16559 CB PRO I 84 52.979 80.763 100.686 1.00 23.99 C +ATOM 16560 CG PRO I 84 53.508 79.678 101.556 1.00 27.48 C +ATOM 16561 CD PRO I 84 53.560 80.297 102.927 1.00 23.97 C +ATOM 16562 N PHE I 85 49.814 81.973 100.556 1.00 21.62 N +ATOM 16563 CA PHE I 85 48.455 81.827 99.993 1.00 20.62 C +ATOM 16564 C PHE I 85 47.337 81.618 101.006 1.00 20.76 C +ATOM 16565 O PHE I 85 46.192 81.309 100.635 1.00 21.80 O +ATOM 16566 CB PHE I 85 48.424 80.768 98.908 1.00 21.31 C +ATOM 16567 CG PHE I 85 49.635 80.791 98.038 1.00 22.61 C +ATOM 16568 CD1 PHE I 85 49.944 81.931 97.309 1.00 24.63 C +ATOM 16569 CD2 PHE I 85 50.493 79.703 97.985 1.00 20.02 C +ATOM 16570 CE1 PHE I 85 51.078 81.983 96.529 1.00 22.88 C +ATOM 16571 CE2 PHE I 85 51.651 79.751 97.199 1.00 25.90 C +ATOM 16572 CZ PHE I 85 51.939 80.880 96.477 1.00 20.51 C +ATOM 16573 N CYS I 86 47.649 81.798 102.285 1.00 20.93 N +ATOM 16574 CA CYS I 86 46.607 81.883 103.288 1.00 21.15 C +ATOM 16575 C CYS I 86 45.901 83.249 103.242 1.00 21.27 C +ATOM 16576 O CYS I 86 46.553 84.293 103.313 1.00 22.96 O +ATOM 16577 CB CYS I 86 47.218 81.682 104.656 1.00 21.95 C +ATOM 16578 SG CYS I 86 45.965 81.551 105.925 1.00 21.39 S +ATOM 16579 N ILE I 87 44.577 83.255 103.111 1.00 19.49 N +ATOM 16580 CA ILE I 87 43.848 84.516 102.988 1.00 19.75 C +ATOM 16581 C ILE I 87 42.983 84.766 104.211 1.00 18.79 C +ATOM 16582 O ILE I 87 41.984 84.083 104.409 1.00 18.67 O +ATOM 16583 CB ILE I 87 43.002 84.618 101.664 1.00 19.59 C +ATOM 16584 CG1 ILE I 87 43.878 84.347 100.410 1.00 21.34 C +ATOM 16585 CG2 ILE I 87 42.266 85.983 101.562 1.00 16.82 C +ATOM 16586 CD1 ILE I 87 45.186 85.193 100.288 1.00 18.66 C +ATOM 16587 N HIS I 88 43.375 85.749 105.027 1.00 18.58 N +ATOM 16588 CA HIS I 88 42.572 86.126 106.196 1.00 18.08 C +ATOM 16589 C HIS I 88 41.501 87.090 105.744 1.00 17.49 C +ATOM 16590 O HIS I 88 41.810 88.072 105.056 1.00 17.93 O +ATOM 16591 CB HIS I 88 43.388 86.731 107.347 1.00 16.01 C +ATOM 16592 CG HIS I 88 42.532 87.379 108.389 1.00 20.28 C +ATOM 16593 ND1 HIS I 88 41.664 86.659 109.193 1.00 20.63 N +ATOM 16594 CD2 HIS I 88 42.344 88.689 108.704 1.00 17.69 C +ATOM 16595 CE1 HIS I 88 41.005 87.497 109.976 1.00 21.37 C +ATOM 16596 NE2 HIS I 88 41.402 88.732 109.700 1.00 19.97 N +ATOM 16597 N THR I 89 40.259 86.790 106.122 1.00 17.12 N +ATOM 16598 CA THR I 89 39.087 87.616 105.790 1.00 17.58 C +ATOM 16599 C THR I 89 38.546 88.257 107.062 1.00 16.61 C +ATOM 16600 O THR I 89 38.202 87.554 108.031 1.00 17.06 O +ATOM 16601 CB THR I 89 37.971 86.762 105.119 1.00 16.18 C +ATOM 16602 OG1 THR I 89 38.542 85.893 104.135 1.00 16.88 O +ATOM 16603 CG2 THR I 89 36.945 87.618 104.459 1.00 14.55 C +ATOM 16604 N ARG I 90 38.493 89.583 107.076 1.00 14.94 N +ATOM 16605 CA ARG I 90 37.884 90.319 108.188 1.00 15.52 C +ATOM 16606 C ARG I 90 36.384 89.933 108.368 1.00 16.83 C +ATOM 16607 O ARG I 90 35.705 89.589 107.405 1.00 16.08 O +ATOM 16608 CB ARG I 90 37.972 91.815 107.936 1.00 15.34 C +ATOM 16609 CG ARG I 90 39.320 92.434 108.146 1.00 18.31 C +ATOM 16610 CD ARG I 90 39.346 93.878 107.726 1.00 19.83 C +ATOM 16611 NE ARG I 90 39.228 94.021 106.266 1.00 23.95 N +ATOM 16612 CZ ARG I 90 39.176 95.182 105.626 1.00 22.11 C +ATOM 16613 NH1 ARG I 90 39.213 96.305 106.319 1.00 24.02 N +ATOM 16614 NH2 ARG I 90 39.052 95.214 104.294 1.00 19.77 N +ATOM 16615 N TYR I 91 35.888 90.000 109.598 1.00 17.60 N +ATOM 16616 CA TYR I 91 34.492 89.702 109.891 1.00 17.50 C +ATOM 16617 C TYR I 91 33.574 90.545 109.015 1.00 15.53 C +ATOM 16618 O TYR I 91 32.577 90.060 108.480 1.00 17.11 O +ATOM 16619 CB TYR I 91 34.154 89.964 111.370 1.00 18.38 C +ATOM 16620 CG TYR I 91 32.813 89.401 111.821 1.00 18.48 C +ATOM 16621 CD1 TYR I 91 31.602 90.133 111.739 1.00 19.61 C +ATOM 16622 CD2 TYR I 91 32.758 88.137 112.374 1.00 23.95 C +ATOM 16623 CE1 TYR I 91 30.363 89.550 112.196 1.00 17.55 C +ATOM 16624 CE2 TYR I 91 31.550 87.562 112.800 1.00 24.44 C +ATOM 16625 CZ TYR I 91 30.359 88.264 112.726 1.00 21.02 C +ATOM 16626 OH TYR I 91 29.222 87.558 113.191 1.00 25.36 O +ATOM 16627 N ALA I 92 33.902 91.818 108.912 1.00 16.45 N +ATOM 16628 CA ALA I 92 33.100 92.792 108.144 1.00 16.28 C +ATOM 16629 C ALA I 92 33.016 92.462 106.661 1.00 15.44 C +ATOM 16630 O ALA I 92 32.028 92.789 105.983 1.00 15.70 O +ATOM 16631 CB ALA I 92 33.682 94.252 108.360 1.00 18.08 C +ATOM 16632 N THR I 93 34.060 91.840 106.139 1.00 15.94 N +ATOM 16633 CA THR I 93 34.092 91.415 104.745 1.00 14.57 C +ATOM 16634 C THR I 93 33.198 90.210 104.590 1.00 15.94 C +ATOM 16635 O THR I 93 32.357 90.156 103.680 1.00 15.90 O +ATOM 16636 CB THR I 93 35.537 91.054 104.297 1.00 13.75 C +ATOM 16637 OG1 THR I 93 36.384 92.182 104.520 1.00 11.67 O +ATOM 16638 CG2 THR I 93 35.552 90.603 102.814 1.00 11.28 C +ATOM 16639 N GLN I 94 33.339 89.255 105.499 1.00 16.13 N +ATOM 16640 CA GLN I 94 32.447 88.103 105.504 1.00 15.73 C +ATOM 16641 C GLN I 94 30.998 88.511 105.632 1.00 15.76 C +ATOM 16642 O GLN I 94 30.158 87.940 104.971 1.00 15.50 O +ATOM 16643 CB GLN I 94 32.776 87.148 106.645 1.00 15.72 C +ATOM 16644 CG GLN I 94 34.126 86.474 106.498 1.00 17.29 C +ATOM 16645 CD GLN I 94 34.428 85.576 107.659 1.00 15.76 C +ATOM 16646 OE1 GLN I 94 34.132 85.909 108.815 1.00 20.03 O +ATOM 16647 NE2 GLN I 94 34.984 84.413 107.371 1.00 15.11 N +ATOM 16648 N GLN I 95 30.709 89.493 106.489 1.00 16.64 N +ATOM 16649 CA GLN I 95 29.331 89.965 106.688 1.00 16.55 C +ATOM 16650 C GLN I 95 28.785 90.628 105.425 1.00 15.46 C +ATOM 16651 O GLN I 95 27.620 90.453 105.106 1.00 16.75 O +ATOM 16652 CB GLN I 95 29.246 90.928 107.885 1.00 16.88 C +ATOM 16653 CG GLN I 95 27.833 91.529 108.109 1.00 21.50 C +ATOM 16654 CD GLN I 95 27.702 92.372 109.380 1.00 25.66 C +ATOM 16655 OE1 GLN I 95 28.259 92.069 110.429 1.00 32.08 O +ATOM 16656 NE2 GLN I 95 26.923 93.433 109.272 1.00 39.79 N +ATOM 16657 N ALA I 96 29.627 91.406 104.735 1.00 15.85 N +ATOM 16658 CA ALA I 96 29.292 91.999 103.447 1.00 14.98 C +ATOM 16659 C ALA I 96 28.946 90.912 102.422 1.00 16.17 C +ATOM 16660 O ALA I 96 27.924 91.010 101.750 1.00 14.39 O +ATOM 16661 CB ALA I 96 30.464 92.882 102.941 1.00 14.62 C +ATOM 16662 N ILE I 97 29.765 89.856 102.336 1.00 15.49 N +ATOM 16663 CA ILE I 97 29.439 88.707 101.474 1.00 14.60 C +ATOM 16664 C ILE I 97 28.074 88.066 101.815 1.00 15.63 C +ATOM 16665 O ILE I 97 27.221 87.875 100.944 1.00 15.69 O +ATOM 16666 CB ILE I 97 30.567 87.615 101.494 1.00 14.51 C +ATOM 16667 CG1 ILE I 97 31.865 88.126 100.849 1.00 14.49 C +ATOM 16668 CG2 ILE I 97 30.073 86.364 100.789 1.00 17.31 C +ATOM 16669 CD1 ILE I 97 33.140 87.349 101.222 1.00 12.14 C +ATOM 16670 N LEU I 98 27.848 87.738 103.074 1.00 15.88 N +ATOM 16671 CA LEU I 98 26.570 87.110 103.460 1.00 16.73 C +ATOM 16672 C LEU I 98 25.375 88.042 103.197 1.00 17.28 C +ATOM 16673 O LEU I 98 24.326 87.585 102.727 1.00 17.85 O +ATOM 16674 CB LEU I 98 26.587 86.634 104.924 1.00 16.83 C +ATOM 16675 CG LEU I 98 25.363 85.820 105.365 1.00 18.03 C +ATOM 16676 CD1 LEU I 98 25.271 84.481 104.551 1.00 13.92 C +ATOM 16677 CD2 LEU I 98 25.462 85.567 106.857 1.00 14.20 C +ATOM 16678 N GLU I 99 25.558 89.344 103.433 1.00 18.11 N +ATOM 16679 CA GLU I 99 24.523 90.348 103.127 1.00 18.24 C +ATOM 16680 C GLU I 99 24.124 90.332 101.663 1.00 17.81 C +ATOM 16681 O GLU I 99 22.923 90.366 101.340 1.00 17.58 O +ATOM 16682 CB GLU I 99 24.976 91.769 103.527 1.00 18.42 C +ATOM 16683 CG GLU I 99 24.894 92.035 105.017 1.00 20.90 C +ATOM 16684 CD GLU I 99 25.588 93.341 105.490 1.00 22.91 C +ATOM 16685 OE1 GLU I 99 26.323 94.002 104.699 1.00 25.73 O +ATOM 16686 OE2 GLU I 99 25.419 93.668 106.700 1.00 24.94 O +ATOM 16687 N ASP I 100 25.116 90.283 100.782 1.00 16.74 N +ATOM 16688 CA ASP I 100 24.866 90.232 99.340 1.00 17.10 C +ATOM 16689 C ASP I 100 24.183 88.933 98.899 1.00 17.73 C +ATOM 16690 O ASP I 100 23.246 88.951 98.057 1.00 18.68 O +ATOM 16691 CB ASP I 100 26.176 90.487 98.553 1.00 15.59 C +ATOM 16692 CG ASP I 100 26.639 91.942 98.652 1.00 22.34 C +ATOM 16693 OD1 ASP I 100 25.868 92.778 99.166 1.00 21.98 O +ATOM 16694 OD2 ASP I 100 27.787 92.263 98.266 1.00 22.46 O +ATOM 16695 N ILE I 101 24.625 87.812 99.472 1.00 17.74 N +ATOM 16696 CA ILE I 101 24.029 86.512 99.175 1.00 16.06 C +ATOM 16697 C ILE I 101 22.580 86.514 99.619 1.00 16.49 C +ATOM 16698 O ILE I 101 21.725 86.153 98.872 1.00 17.49 O +ATOM 16699 CB ILE I 101 24.826 85.318 99.789 1.00 13.66 C +ATOM 16700 CG1 ILE I 101 26.165 85.148 99.076 1.00 15.76 C +ATOM 16701 CG2 ILE I 101 24.018 84.012 99.727 1.00 14.01 C +ATOM 16702 CD1 ILE I 101 27.221 84.384 99.890 1.00 14.62 C +ATOM 16703 N VAL I 102 22.312 86.985 100.822 1.00 17.21 N +ATOM 16704 CA VAL I 102 20.977 87.011 101.356 1.00 17.58 C +ATOM 16705 C VAL I 102 20.040 87.999 100.602 1.00 17.90 C +ATOM 16706 O VAL I 102 18.918 87.655 100.276 1.00 18.77 O +ATOM 16707 CB VAL I 102 20.990 87.230 102.903 1.00 19.40 C +ATOM 16708 CG1 VAL I 102 19.588 87.485 103.439 1.00 14.47 C +ATOM 16709 CG2 VAL I 102 21.629 86.001 103.584 1.00 16.49 C +ATOM 16710 N SER I 103 20.511 89.182 100.266 1.00 17.39 N +ATOM 16711 CA ASER I 103 19.709 90.158 99.508 0.50 17.42 C +ATOM 16712 CA BSER I 103 19.657 90.124 99.547 0.50 18.78 C +ATOM 16713 C SER I 103 19.212 89.528 98.203 1.00 18.41 C +ATOM 16714 O SER I 103 18.045 89.623 97.848 1.00 19.83 O +ATOM 16715 CB ASER I 103 20.526 91.437 99.237 0.50 16.28 C +ATOM 16716 CB BSER I 103 20.319 91.498 99.403 0.50 18.38 C +ATOM 16717 OG ASER I 103 19.791 92.404 98.481 0.50 14.12 O +ATOM 16718 OG BSER I 103 21.474 91.448 98.613 0.50 23.84 O +ATOM 16719 N SER I 104 20.117 88.861 97.495 1.00 18.61 N +ATOM 16720 CA SER I 104 19.812 88.230 96.207 1.00 18.12 C +ATOM 16721 C SER I 104 18.822 87.083 96.342 1.00 17.36 C +ATOM 16722 O SER I 104 17.806 87.058 95.643 1.00 17.84 O +ATOM 16723 CB SER I 104 21.096 87.728 95.518 1.00 18.45 C +ATOM 16724 OG SER I 104 21.876 88.801 95.015 1.00 20.34 O +ATOM 16725 N LEU I 105 19.128 86.140 97.221 1.00 17.34 N +ATOM 16726 CA LEU I 105 18.282 84.987 97.463 1.00 17.58 C +ATOM 16727 C LEU I 105 16.889 85.418 97.912 1.00 18.78 C +ATOM 16728 O LEU I 105 15.898 84.800 97.561 1.00 18.12 O +ATOM 16729 CB LEU I 105 18.911 84.033 98.509 1.00 18.42 C +ATOM 16730 CG LEU I 105 20.204 83.273 98.147 1.00 16.91 C +ATOM 16731 CD1 LEU I 105 20.682 82.477 99.384 1.00 11.61 C +ATOM 16732 CD2 LEU I 105 20.070 82.362 96.920 1.00 16.02 C +ATOM 16733 N HIS I 106 16.819 86.496 98.680 1.00 19.41 N +ATOM 16734 CA HIS I 106 15.527 86.996 99.126 1.00 21.41 C +ATOM 16735 C HIS I 106 14.683 87.536 97.953 1.00 21.04 C +ATOM 16736 O HIS I 106 13.503 87.232 97.838 1.00 22.46 O +ATOM 16737 CB HIS I 106 15.729 88.046 100.215 1.00 22.02 C +ATOM 16738 CG HIS I 106 14.479 88.405 100.940 1.00 25.19 C +ATOM 16739 ND1 HIS I 106 13.588 89.351 100.467 1.00 21.45 N +ATOM 16740 CD2 HIS I 106 13.973 87.948 102.108 1.00 19.78 C +ATOM 16741 CE1 HIS I 106 12.579 89.446 101.310 1.00 26.83 C +ATOM 16742 NE2 HIS I 106 12.796 88.617 102.321 1.00 24.63 N +ATOM 16743 N VAL I 107 15.305 88.326 97.082 1.00 21.68 N +ATOM 16744 CA VAL I 107 14.637 88.866 95.898 1.00 19.90 C +ATOM 16745 C VAL I 107 14.152 87.760 94.964 1.00 22.10 C +ATOM 16746 O VAL I 107 13.157 87.936 94.259 1.00 22.20 O +ATOM 16747 CB VAL I 107 15.535 89.889 95.138 1.00 21.44 C +ATOM 16748 CG1 VAL I 107 15.250 89.880 93.640 1.00 19.51 C +ATOM 16749 CG2 VAL I 107 15.285 91.287 95.691 1.00 19.99 C +ATOM 16750 N GLN I 108 14.859 86.631 94.984 1.00 21.46 N +ATOM 16751 CA GLN I 108 14.521 85.438 94.221 1.00 21.45 C +ATOM 16752 C GLN I 108 13.401 84.607 94.834 1.00 23.12 C +ATOM 16753 O GLN I 108 12.950 83.653 94.217 1.00 23.16 O +ATOM 16754 CB GLN I 108 15.775 84.576 94.060 1.00 20.68 C +ATOM 16755 CG GLN I 108 16.879 85.279 93.254 1.00 18.58 C +ATOM 16756 CD GLN I 108 18.252 84.692 93.505 1.00 16.90 C +ATOM 16757 OE1 GLN I 108 18.394 83.558 93.988 1.00 19.99 O +ATOM 16758 NE2 GLN I 108 19.266 85.443 93.161 1.00 16.89 N +ATOM 16759 N GLY I 109 12.973 84.958 96.053 1.00 22.85 N +ATOM 16760 CA GLY I 109 11.843 84.304 96.709 1.00 21.93 C +ATOM 16761 C GLY I 109 12.241 83.225 97.713 1.00 22.35 C +ATOM 16762 O GLY I 109 11.382 82.562 98.284 1.00 21.18 O +ATOM 16763 N PHE I 110 13.545 83.036 97.937 1.00 21.32 N +ATOM 16764 CA PHE I 110 13.988 82.011 98.897 1.00 19.84 C +ATOM 16765 C PHE I 110 13.903 82.559 100.318 1.00 20.26 C +ATOM 16766 O PHE I 110 14.118 83.731 100.535 1.00 20.72 O +ATOM 16767 CB PHE I 110 15.387 81.519 98.560 1.00 20.80 C +ATOM 16768 CG PHE I 110 15.489 80.920 97.191 1.00 17.78 C +ATOM 16769 CD1 PHE I 110 14.750 79.790 96.866 1.00 19.53 C +ATOM 16770 CD2 PHE I 110 16.296 81.507 96.220 1.00 19.55 C +ATOM 16771 CE1 PHE I 110 14.809 79.239 95.611 1.00 21.53 C +ATOM 16772 CE2 PHE I 110 16.390 80.956 94.940 1.00 19.97 C +ATOM 16773 CZ PHE I 110 15.638 79.823 94.628 1.00 22.89 C +ATOM 16774 N ARG I 111 13.582 81.683 101.261 1.00 19.63 N +ATOM 16775 CA ARG I 111 13.348 82.060 102.649 1.00 21.61 C +ATOM 16776 C ARG I 111 14.041 81.173 103.698 1.00 20.53 C +ATOM 16777 O ARG I 111 13.798 81.317 104.884 1.00 20.62 O +ATOM 16778 CB ARG I 111 11.842 82.063 102.920 1.00 20.28 C +ATOM 16779 CG ARG I 111 11.063 83.095 102.148 1.00 22.44 C +ATOM 16780 CD ARG I 111 11.541 84.498 102.459 1.00 22.07 C +ATOM 16781 NE ARG I 111 10.693 85.453 101.777 1.00 21.30 N +ATOM 16782 CZ ARG I 111 10.921 85.996 100.590 1.00 24.15 C +ATOM 16783 NH1 ARG I 111 12.005 85.702 99.888 1.00 20.85 N +ATOM 16784 NH2 ARG I 111 10.040 86.866 100.100 1.00 22.93 N +ATOM 16785 N LYS I 112 14.901 80.259 103.273 1.00 19.99 N +ATOM 16786 CA LYS I 112 15.576 79.349 104.202 1.00 20.19 C +ATOM 16787 C LYS I 112 16.986 79.006 103.727 1.00 19.52 C +ATOM 16788 O LYS I 112 17.190 78.528 102.594 1.00 18.91 O +ATOM 16789 CB LYS I 112 14.775 78.068 104.336 1.00 18.98 C +ATOM 16790 CG LYS I 112 13.313 78.290 104.646 1.00 26.82 C +ATOM 16791 CD LYS I 112 12.517 77.037 104.504 1.00 34.55 C +ATOM 16792 CE LYS I 112 11.070 77.281 104.903 1.00 41.05 C +ATOM 16793 NZ LYS I 112 10.224 76.095 104.591 1.00 43.08 N +ATOM 16794 N LEU I 113 17.952 79.256 104.591 1.00 18.83 N +ATOM 16795 CA LEU I 113 19.387 79.111 104.272 1.00 18.17 C +ATOM 16796 C LEU I 113 20.111 78.411 105.425 1.00 17.88 C +ATOM 16797 O LEU I 113 19.895 78.753 106.576 1.00 18.69 O +ATOM 16798 CB LEU I 113 20.000 80.490 104.020 1.00 15.77 C +ATOM 16799 CG LEU I 113 21.501 80.675 103.693 1.00 18.30 C +ATOM 16800 CD1 LEU I 113 21.973 79.902 102.411 1.00 15.82 C +ATOM 16801 CD2 LEU I 113 21.825 82.135 103.511 1.00 17.66 C +ATOM 16802 N LEU I 114 20.879 77.368 105.115 1.00 17.58 N +ATOM 16803 CA LEU I 114 21.833 76.813 106.046 1.00 17.68 C +ATOM 16804 C LEU I 114 23.222 77.175 105.564 1.00 17.04 C +ATOM 16805 O LEU I 114 23.556 76.887 104.437 1.00 18.73 O +ATOM 16806 CB LEU I 114 21.716 75.270 106.179 1.00 17.26 C +ATOM 16807 CG LEU I 114 22.822 74.639 107.034 1.00 16.41 C +ATOM 16808 CD1 LEU I 114 22.624 74.821 108.597 1.00 9.99 C +ATOM 16809 CD2 LEU I 114 22.942 73.171 106.692 1.00 16.48 C +ATOM 16810 N ILE I 115 24.005 77.831 106.411 1.00 17.41 N +ATOM 16811 CA ILE I 115 25.442 78.000 106.202 1.00 17.55 C +ATOM 16812 C ILE I 115 26.083 76.754 106.811 1.00 18.33 C +ATOM 16813 O ILE I 115 25.916 76.496 108.019 1.00 18.22 O +ATOM 16814 CB ILE I 115 26.014 79.268 106.862 1.00 17.55 C +ATOM 16815 CG1 ILE I 115 25.169 80.494 106.448 1.00 21.07 C +ATOM 16816 CG2 ILE I 115 27.514 79.426 106.503 1.00 16.05 C +ATOM 16817 CD1 ILE I 115 25.476 81.788 107.229 1.00 19.13 C +ATOM 16818 N LEU I 116 26.755 75.967 105.958 1.00 17.79 N +ATOM 16819 CA LEU I 116 27.535 74.802 106.368 1.00 17.00 C +ATOM 16820 C LEU I 116 29.018 75.106 106.254 1.00 17.90 C +ATOM 16821 O LEU I 116 29.609 75.067 105.161 1.00 17.69 O +ATOM 16822 CB LEU I 116 27.206 73.582 105.495 1.00 18.07 C +ATOM 16823 CG LEU I 116 27.761 72.258 105.995 1.00 17.38 C +ATOM 16824 CD1 LEU I 116 27.221 71.897 107.444 1.00 14.47 C +ATOM 16825 CD2 LEU I 116 27.484 71.142 104.926 1.00 16.44 C +ATOM 16826 N SER I 117 29.634 75.350 107.401 1.00 18.13 N +ATOM 16827 CA SER I 117 30.999 75.758 107.449 1.00 18.60 C +ATOM 16828 C SER I 117 31.947 74.572 107.512 1.00 20.40 C +ATOM 16829 O SER I 117 31.665 73.574 108.157 1.00 20.25 O +ATOM 16830 CB SER I 117 31.224 76.668 108.665 1.00 16.51 C +ATOM 16831 OG SER I 117 32.606 76.984 108.814 1.00 20.69 O +ATOM 16832 N GLY I 118 33.096 74.743 106.862 1.00 20.59 N +ATOM 16833 CA GLY I 118 34.202 73.826 106.965 1.00 20.69 C +ATOM 16834 C GLY I 118 35.381 74.344 107.780 1.00 20.35 C +ATOM 16835 O GLY I 118 36.389 73.648 107.901 1.00 20.91 O +ATOM 16836 N HIS I 119 35.222 75.528 108.394 1.00 20.00 N +ATOM 16837 CA HIS I 119 36.313 76.207 109.069 1.00 21.06 C +ATOM 16838 C HIS I 119 35.853 76.742 110.403 1.00 22.49 C +ATOM 16839 O HIS I 119 35.003 77.634 110.457 1.00 23.64 O +ATOM 16840 CB HIS I 119 36.832 77.359 108.226 1.00 20.91 C +ATOM 16841 CG HIS I 119 37.914 78.179 108.885 1.00 19.03 C +ATOM 16842 ND1 HIS I 119 39.093 77.634 109.331 1.00 21.69 N +ATOM 16843 CD2 HIS I 119 38.024 79.518 109.095 1.00 21.64 C +ATOM 16844 CE1 HIS I 119 39.874 78.588 109.814 1.00 21.68 C +ATOM 16845 NE2 HIS I 119 39.245 79.742 109.691 1.00 20.33 N +ATOM 16846 N GLY I 120 36.472 76.212 111.464 1.00 22.96 N +ATOM 16847 CA GLY I 120 36.140 76.520 112.844 1.00 23.16 C +ATOM 16848 C GLY I 120 36.382 77.961 113.208 1.00 23.41 C +ATOM 16849 O GLY I 120 35.700 78.490 114.072 1.00 24.73 O +ATOM 16850 N GLY I 121 37.309 78.605 112.516 1.00 23.28 N +ATOM 16851 CA GLY I 121 37.515 80.047 112.647 1.00 22.82 C +ATOM 16852 C GLY I 121 36.358 80.914 112.236 1.00 22.51 C +ATOM 16853 O GLY I 121 36.316 82.091 112.590 1.00 23.08 O +ATOM 16854 N ASN I 122 35.428 80.364 111.453 1.00 22.75 N +ATOM 16855 CA ASN I 122 34.270 81.134 110.965 1.00 21.58 C +ATOM 16856 C ASN I 122 33.191 81.130 112.052 1.00 22.45 C +ATOM 16857 O ASN I 122 32.909 80.090 112.675 1.00 21.59 O +ATOM 16858 CB ASN I 122 33.688 80.556 109.651 1.00 21.74 C +ATOM 16859 CG ASN I 122 34.658 80.613 108.451 1.00 19.52 C +ATOM 16860 OD1 ASN I 122 35.531 81.484 108.348 1.00 16.72 O +ATOM 16861 ND2 ASN I 122 34.462 79.703 107.521 1.00 16.43 N +ATOM 16862 N ASN I 123 32.607 82.297 112.289 1.00 21.22 N +ATOM 16863 CA ASN I 123 31.570 82.460 113.305 1.00 22.58 C +ATOM 16864 C ASN I 123 30.489 83.289 112.673 1.00 20.71 C +ATOM 16865 O ASN I 123 30.766 84.363 112.159 1.00 21.34 O +ATOM 16866 CB ASN I 123 32.151 83.174 114.530 1.00 25.68 C +ATOM 16867 CG ASN I 123 32.989 82.250 115.396 1.00 30.73 C +ATOM 16868 OD1 ASN I 123 32.453 81.355 116.062 1.00 38.22 O +ATOM 16869 ND2 ASN I 123 34.312 82.455 115.386 1.00 32.31 N +ATOM 16870 N PHE I 124 29.258 82.788 112.676 1.00 20.10 N +ATOM 16871 CA PHE I 124 28.177 83.440 111.942 1.00 18.81 C +ATOM 16872 C PHE I 124 27.039 83.954 112.818 1.00 18.88 C +ATOM 16873 O PHE I 124 26.092 84.491 112.304 1.00 19.29 O +ATOM 16874 CB PHE I 124 27.640 82.495 110.845 1.00 17.77 C +ATOM 16875 CG PHE I 124 28.706 82.096 109.820 1.00 19.53 C +ATOM 16876 CD1 PHE I 124 29.074 82.965 108.799 1.00 19.19 C +ATOM 16877 CD2 PHE I 124 29.369 80.867 109.924 1.00 18.75 C +ATOM 16878 CE1 PHE I 124 30.095 82.621 107.872 1.00 14.97 C +ATOM 16879 CE2 PHE I 124 30.329 80.501 109.019 1.00 15.34 C +ATOM 16880 CZ PHE I 124 30.723 81.397 107.993 1.00 17.02 C +ATOM 16881 N LYS I 125 27.127 83.797 114.133 1.00 19.09 N +ATOM 16882 CA LYS I 125 26.005 84.133 114.995 1.00 19.18 C +ATOM 16883 C LYS I 125 25.649 85.635 114.970 1.00 18.61 C +ATOM 16884 O LYS I 125 24.485 85.999 114.901 1.00 20.26 O +ATOM 16885 CB LYS I 125 26.260 83.640 116.414 1.00 20.03 C +ATOM 16886 CG LYS I 125 26.244 82.155 116.525 1.00 20.35 C +ATOM 16887 CD LYS I 125 26.412 81.658 117.945 1.00 22.42 C +ATOM 16888 CE LYS I 125 26.327 80.118 117.957 1.00 24.52 C +ATOM 16889 NZ LYS I 125 26.407 79.612 119.351 1.00 31.75 N +ATOM 16890 N GLY I 126 26.653 86.487 115.053 1.00 17.87 N +ATOM 16891 CA GLY I 126 26.477 87.954 114.952 1.00 18.23 C +ATOM 16892 C GLY I 126 25.768 88.394 113.682 1.00 19.37 C +ATOM 16893 O GLY I 126 24.764 89.127 113.729 1.00 17.70 O +HETATM16894 N MSE I 127 26.238 87.851 112.562 1.00 19.67 N +HETATM16895 CA MSE I 127 25.693 88.134 111.245 1.00 19.70 C +HETATM16896 C MSE I 127 24.269 87.668 111.155 1.00 18.33 C +HETATM16897 O MSE I 127 23.421 88.352 110.607 1.00 16.82 O +HETATM16898 CB MSE I 127 26.476 87.387 110.146 1.00 19.41 C +HETATM16899 CG MSE I 127 27.957 87.726 110.067 1.00 22.30 C +HETATM16900 SE MSE I 127 28.901 86.771 108.635 0.75 19.56 SE +HETATM16901 CE MSE I 127 30.796 86.798 109.428 1.00 14.40 C +ATOM 16902 N ILE I 128 24.036 86.453 111.618 1.00 18.40 N +ATOM 16903 CA ILE I 128 22.689 85.900 111.587 1.00 18.51 C +ATOM 16904 C ILE I 128 21.730 86.761 112.400 1.00 17.97 C +ATOM 16905 O ILE I 128 20.640 87.048 111.938 1.00 18.51 O +ATOM 16906 CB ILE I 128 22.654 84.457 112.042 1.00 18.11 C +ATOM 16907 CG1 ILE I 128 23.188 83.552 110.929 1.00 19.89 C +ATOM 16908 CG2 ILE I 128 21.247 84.077 112.410 1.00 17.66 C +ATOM 16909 CD1 ILE I 128 23.625 82.200 111.419 1.00 16.42 C +ATOM 16910 N ARG I 129 22.147 87.201 113.586 1.00 18.25 N +ATOM 16911 CA ARG I 129 21.305 88.090 114.409 1.00 18.58 C +ATOM 16912 C ARG I 129 20.974 89.399 113.740 1.00 18.64 C +ATOM 16913 O ARG I 129 19.829 89.862 113.792 1.00 20.08 O +ATOM 16914 CB ARG I 129 21.958 88.389 115.755 1.00 19.15 C +ATOM 16915 CG ARG I 129 21.901 87.232 116.734 1.00 19.14 C +ATOM 16916 CD ARG I 129 22.482 87.635 118.080 1.00 20.25 C +ATOM 16917 NE ARG I 129 22.122 86.673 119.113 1.00 20.47 N +ATOM 16918 CZ ARG I 129 22.854 85.631 119.495 1.00 21.96 C +ATOM 16919 NH1 ARG I 129 24.056 85.395 118.975 1.00 27.42 N +ATOM 16920 NH2 ARG I 129 22.380 84.813 120.431 1.00 25.67 N +ATOM 16921 N ASP I 130 21.973 90.005 113.127 1.00 18.74 N +ATOM 16922 CA ASP I 130 21.792 91.285 112.432 1.00 19.07 C +ATOM 16923 C ASP I 130 20.907 91.133 111.199 1.00 19.55 C +ATOM 16924 O ASP I 130 20.042 91.983 110.953 1.00 20.59 O +ATOM 16925 CB ASP I 130 23.148 91.917 112.088 1.00 21.63 C +ATOM 16926 CG ASP I 130 23.908 92.416 113.321 1.00 24.22 C +ATOM 16927 OD1 ASP I 130 23.300 92.531 114.425 1.00 25.96 O +ATOM 16928 OD2 ASP I 130 25.130 92.703 113.177 1.00 26.02 O +ATOM 16929 N LEU I 131 21.069 90.040 110.449 1.00 19.11 N +ATOM 16930 CA LEU I 131 20.181 89.745 109.314 1.00 19.99 C +ATOM 16931 C LEU I 131 18.716 89.402 109.669 1.00 20.39 C +ATOM 16932 O LEU I 131 17.817 89.612 108.875 1.00 20.97 O +ATOM 16933 CB LEU I 131 20.802 88.651 108.422 1.00 20.05 C +ATOM 16934 CG LEU I 131 21.935 89.175 107.547 1.00 19.96 C +ATOM 16935 CD1 LEU I 131 22.680 88.045 106.940 1.00 24.14 C +ATOM 16936 CD2 LEU I 131 21.394 90.155 106.475 1.00 17.05 C +ATOM 16937 N ALA I 132 18.515 88.861 110.862 1.00 21.22 N +ATOM 16938 CA ALA I 132 17.211 88.507 111.360 1.00 22.10 C +ATOM 16939 C ALA I 132 16.323 89.726 111.522 1.00 22.14 C +ATOM 16940 O ALA I 132 15.130 89.637 111.285 1.00 24.12 O +ATOM 16941 CB ALA I 132 17.321 87.692 112.679 1.00 19.62 C +ATOM 16942 N PHE I 133 16.900 90.869 111.846 1.00 24.13 N +ATOM 16943 CA PHE I 133 16.152 92.130 111.885 1.00 25.30 C +ATOM 16944 C PHE I 133 15.975 92.800 110.512 1.00 26.39 C +ATOM 16945 O PHE I 133 14.977 93.477 110.267 1.00 27.80 O +ATOM 16946 CB PHE I 133 16.819 93.088 112.878 1.00 26.12 C +ATOM 16947 CG PHE I 133 16.816 92.569 114.297 1.00 27.28 C +ATOM 16948 CD1 PHE I 133 15.606 92.273 114.940 1.00 29.49 C +ATOM 16949 CD2 PHE I 133 17.994 92.335 114.965 1.00 25.25 C +ATOM 16950 CE1 PHE I 133 15.583 91.780 116.253 1.00 27.67 C +ATOM 16951 CE2 PHE I 133 17.988 91.841 116.268 1.00 27.47 C +ATOM 16952 CZ PHE I 133 16.772 91.574 116.924 1.00 25.69 C +ATOM 16953 N GLU I 134 16.947 92.635 109.618 1.00 27.20 N +ATOM 16954 CA GLU I 134 16.820 93.157 108.262 1.00 29.76 C +ATOM 16955 C GLU I 134 15.825 92.338 107.450 1.00 26.16 C +ATOM 16956 O GLU I 134 15.091 92.896 106.644 1.00 25.06 O +ATOM 16957 CB GLU I 134 18.154 93.095 107.522 1.00 28.92 C +ATOM 16958 CG GLU I 134 19.190 94.111 107.897 1.00 41.47 C +ATOM 16959 CD GLU I 134 20.318 94.152 106.852 1.00 42.50 C +ATOM 16960 OE1 GLU I 134 20.039 94.627 105.715 1.00 63.48 O +ATOM 16961 OE2 GLU I 134 21.453 93.694 107.157 1.00 52.55 O +ATOM 16962 N TYR I 135 15.857 91.009 107.630 1.00 23.60 N +ATOM 16963 CA TYR I 135 15.037 90.072 106.839 1.00 22.26 C +ATOM 16964 C TYR I 135 14.297 89.119 107.764 1.00 22.97 C +ATOM 16965 O TYR I 135 14.644 87.960 107.852 1.00 20.43 O +ATOM 16966 CB TYR I 135 15.918 89.247 105.880 1.00 21.17 C +ATOM 16967 CG TYR I 135 16.671 90.055 104.877 1.00 20.89 C +ATOM 16968 CD1 TYR I 135 16.087 90.432 103.692 1.00 22.83 C +ATOM 16969 CD2 TYR I 135 17.993 90.403 105.089 1.00 21.10 C +ATOM 16970 CE1 TYR I 135 16.765 91.158 102.777 1.00 22.90 C +ATOM 16971 CE2 TYR I 135 18.674 91.142 104.186 1.00 20.63 C +ATOM 16972 CZ TYR I 135 18.051 91.522 103.017 1.00 20.32 C +ATOM 16973 OH TYR I 135 18.737 92.270 102.082 1.00 22.14 O +ATOM 16974 N PRO I 136 13.253 89.609 108.448 1.00 24.54 N +ATOM 16975 CA PRO I 136 12.590 88.804 109.483 1.00 25.78 C +ATOM 16976 C PRO I 136 11.898 87.559 108.995 1.00 25.67 C +ATOM 16977 O PRO I 136 11.683 86.655 109.786 1.00 26.91 O +ATOM 16978 CB PRO I 136 11.612 89.775 110.133 1.00 26.14 C +ATOM 16979 CG PRO I 136 11.459 90.867 109.151 1.00 29.11 C +ATOM 16980 CD PRO I 136 12.680 90.945 108.330 1.00 25.76 C +ATOM 16981 N ASP I 137 11.632 87.476 107.696 1.00 25.64 N +ATOM 16982 CA ASP I 137 11.000 86.302 107.081 1.00 25.86 C +ATOM 16983 C ASP I 137 12.000 85.320 106.454 1.00 24.19 C +ATOM 16984 O ASP I 137 11.608 84.390 105.780 1.00 23.96 O +ATOM 16985 CB ASP I 137 9.988 86.754 106.007 1.00 27.34 C +ATOM 16986 CG ASP I 137 10.626 87.602 104.885 1.00 32.33 C +ATOM 16987 OD1 ASP I 137 11.764 88.142 105.035 1.00 31.60 O +ATOM 16988 OD2 ASP I 137 9.949 87.751 103.849 1.00 43.21 O +ATOM 16989 N PHE I 138 13.281 85.506 106.698 1.00 22.88 N +ATOM 16990 CA PHE I 138 14.321 84.722 106.063 1.00 21.19 C +ATOM 16991 C PHE I 138 15.049 83.997 107.194 1.00 21.24 C +ATOM 16992 O PHE I 138 15.659 84.636 108.098 1.00 21.69 O +ATOM 16993 CB PHE I 138 15.250 85.649 105.262 1.00 23.19 C +ATOM 16994 CG PHE I 138 16.197 84.920 104.320 1.00 22.69 C +ATOM 16995 CD1 PHE I 138 17.311 84.259 104.805 1.00 30.43 C +ATOM 16996 CD2 PHE I 138 15.975 84.898 102.958 1.00 22.29 C +ATOM 16997 CE1 PHE I 138 18.163 83.584 103.950 1.00 29.44 C +ATOM 16998 CE2 PHE I 138 16.838 84.221 102.101 1.00 22.68 C +ATOM 16999 CZ PHE I 138 17.902 83.556 102.590 1.00 24.31 C +ATOM 17000 N LEU I 139 14.931 82.671 107.191 1.00 21.19 N +ATOM 17001 CA LEU I 139 15.570 81.811 108.197 1.00 21.52 C +ATOM 17002 C LEU I 139 17.005 81.463 107.810 1.00 21.13 C +ATOM 17003 O LEU I 139 17.238 80.910 106.749 1.00 21.53 O +ATOM 17004 CB LEU I 139 14.779 80.514 108.369 1.00 22.43 C +ATOM 17005 CG LEU I 139 15.312 79.462 109.343 1.00 22.30 C +ATOM 17006 CD1 LEU I 139 15.215 80.012 110.763 1.00 19.67 C +ATOM 17007 CD2 LEU I 139 14.532 78.183 109.205 1.00 21.28 C +ATOM 17008 N ILE I 140 17.957 81.761 108.702 1.00 19.94 N +ATOM 17009 CA ILE I 140 19.336 81.350 108.522 1.00 19.03 C +ATOM 17010 C ILE I 140 19.798 80.481 109.674 1.00 18.97 C +ATOM 17011 O ILE I 140 19.716 80.889 110.826 1.00 19.09 O +ATOM 17012 CB ILE I 140 20.251 82.564 108.368 1.00 18.65 C +ATOM 17013 CG1 ILE I 140 19.681 83.513 107.319 1.00 20.86 C +ATOM 17014 CG2 ILE I 140 21.638 82.131 107.929 1.00 15.79 C +ATOM 17015 CD1 ILE I 140 20.603 84.748 107.046 1.00 18.01 C +ATOM 17016 N ALA I 141 20.265 79.266 109.364 1.00 19.14 N +ATOM 17017 CA ALA I 141 20.943 78.390 110.326 1.00 17.99 C +ATOM 17018 C ALA I 141 22.437 78.290 109.995 1.00 18.26 C +ATOM 17019 O ALA I 141 22.845 78.492 108.848 1.00 18.63 O +ATOM 17020 CB ALA I 141 20.296 77.000 110.337 1.00 15.34 C +ATOM 17021 N ALA I 142 23.252 78.000 111.006 1.00 17.26 N +ATOM 17022 CA ALA I 142 24.672 77.739 110.815 1.00 18.13 C +ATOM 17023 C ALA I 142 25.061 76.472 111.552 1.00 19.07 C +ATOM 17024 O ALA I 142 24.534 76.177 112.623 1.00 19.17 O +ATOM 17025 CB ALA I 142 25.507 78.859 111.287 1.00 16.52 C +ATOM 17026 N ALA I 143 25.975 75.723 110.934 1.00 20.10 N +ATOM 17027 CA ALA I 143 26.550 74.503 111.497 1.00 20.53 C +ATOM 17028 C ALA I 143 27.934 74.283 110.900 1.00 20.80 C +ATOM 17029 O ALA I 143 28.139 74.596 109.723 1.00 19.80 O +ATOM 17030 CB ALA I 143 25.663 73.332 111.192 1.00 20.03 C +ATOM 17031 N ASN I 144 28.882 73.805 111.720 1.00 20.66 N +ATOM 17032 CA ASN I 144 30.139 73.207 111.226 1.00 21.38 C +ATOM 17033 C ASN I 144 29.881 71.751 110.922 1.00 21.28 C +ATOM 17034 O ASN I 144 29.267 71.063 111.744 1.00 20.86 O +ATOM 17035 CB ASN I 144 31.228 73.277 112.288 1.00 21.11 C +ATOM 17036 CG ASN I 144 31.754 74.678 112.491 1.00 26.01 C +ATOM 17037 OD1 ASN I 144 32.267 75.306 111.560 1.00 23.98 O +ATOM 17038 ND2 ASN I 144 31.628 75.181 113.719 1.00 20.03 N +ATOM 17039 N TRP I 145 30.312 71.271 109.752 1.00 19.93 N +ATOM 17040 CA TRP I 145 29.976 69.877 109.351 1.00 20.38 C +ATOM 17041 C TRP I 145 30.570 68.879 110.340 1.00 20.44 C +ATOM 17042 O TRP I 145 29.952 67.878 110.658 1.00 20.55 O +ATOM 17043 CB TRP I 145 30.421 69.532 107.919 1.00 17.98 C +ATOM 17044 CG TRP I 145 31.905 69.438 107.721 1.00 17.88 C +ATOM 17045 CD1 TRP I 145 32.740 70.424 107.282 1.00 15.79 C +ATOM 17046 CD2 TRP I 145 32.733 68.300 107.987 1.00 20.22 C +ATOM 17047 NE1 TRP I 145 34.032 69.963 107.236 1.00 19.32 N +ATOM 17048 CE2 TRP I 145 34.056 68.663 107.676 1.00 16.26 C +ATOM 17049 CE3 TRP I 145 32.484 67.016 108.475 1.00 20.81 C +ATOM 17050 CZ2 TRP I 145 35.130 67.779 107.828 1.00 19.66 C +ATOM 17051 CZ3 TRP I 145 33.567 66.127 108.607 1.00 20.87 C +ATOM 17052 CH2 TRP I 145 34.861 66.522 108.275 1.00 20.08 C +ATOM 17053 N PHE I 146 31.756 69.200 110.841 1.00 21.37 N +ATOM 17054 CA PHE I 146 32.474 68.338 111.770 1.00 21.32 C +ATOM 17055 C PHE I 146 31.958 68.384 113.197 1.00 21.41 C +ATOM 17056 O PHE I 146 32.557 67.771 114.072 1.00 23.30 O +ATOM 17057 CB PHE I 146 33.977 68.650 111.743 1.00 21.93 C +ATOM 17058 CG PHE I 146 34.283 70.091 111.923 1.00 24.15 C +ATOM 17059 CD1 PHE I 146 34.337 70.650 113.204 1.00 26.68 C +ATOM 17060 CD2 PHE I 146 34.493 70.912 110.814 1.00 24.60 C +ATOM 17061 CE1 PHE I 146 34.619 71.981 113.377 1.00 26.02 C +ATOM 17062 CE2 PHE I 146 34.777 72.235 110.977 1.00 28.24 C +ATOM 17063 CZ PHE I 146 34.834 72.783 112.258 1.00 28.63 C +ATOM 17064 N GLU I 147 30.856 69.099 113.440 1.00 21.79 N +ATOM 17065 CA GLU I 147 30.213 69.104 114.764 1.00 21.57 C +ATOM 17066 C GLU I 147 28.865 68.404 114.768 1.00 22.11 C +ATOM 17067 O GLU I 147 28.284 68.208 115.813 1.00 23.41 O +ATOM 17068 CB GLU I 147 30.085 70.549 115.289 1.00 18.95 C +ATOM 17069 CG GLU I 147 31.394 71.085 115.785 1.00 22.05 C +ATOM 17070 CD GLU I 147 31.334 72.548 116.208 1.00 23.87 C +ATOM 17071 OE1 GLU I 147 30.338 73.229 115.896 1.00 25.18 O +ATOM 17072 OE2 GLU I 147 32.307 73.003 116.838 1.00 31.93 O +ATOM 17073 N VAL I 148 28.404 68.010 113.588 1.00 23.16 N +ATOM 17074 CA VAL I 148 27.117 67.349 113.411 1.00 22.61 C +ATOM 17075 C VAL I 148 27.145 65.999 114.155 1.00 23.88 C +ATOM 17076 O VAL I 148 26.172 65.624 114.841 1.00 22.51 O +ATOM 17077 CB VAL I 148 26.807 67.219 111.893 1.00 23.96 C +ATOM 17078 CG1 VAL I 148 25.654 66.278 111.606 1.00 16.71 C +ATOM 17079 CG2 VAL I 148 26.594 68.637 111.300 1.00 16.81 C +ATOM 17080 N VAL I 149 28.291 65.328 114.056 1.00 23.42 N +ATOM 17081 CA VAL I 149 28.602 64.117 114.796 1.00 22.90 C +ATOM 17082 C VAL I 149 29.990 64.305 115.352 1.00 24.27 C +ATOM 17083 O VAL I 149 30.904 64.677 114.615 1.00 24.14 O +ATOM 17084 CB VAL I 149 28.653 62.893 113.873 1.00 24.63 C +ATOM 17085 CG1 VAL I 149 29.259 61.656 114.613 1.00 22.68 C +ATOM 17086 CG2 VAL I 149 27.269 62.607 113.288 1.00 16.39 C +ATOM 17087 N SER I 150 30.162 64.005 116.633 1.00 26.73 N +ATOM 17088 CA SER I 150 31.467 64.048 117.269 1.00 29.50 C +ATOM 17089 C SER I 150 32.400 63.012 116.642 1.00 29.64 C +ATOM 17090 O SER I 150 32.004 61.871 116.413 1.00 29.80 O +ATOM 17091 CB SER I 150 31.331 63.768 118.772 1.00 31.41 C +ATOM 17092 OG SER I 150 32.603 63.769 119.394 1.00 33.75 O +ATOM 17093 N PRO I 151 33.630 63.412 116.347 1.00 31.46 N +ATOM 17094 CA PRO I 151 34.595 62.453 115.830 1.00 32.87 C +ATOM 17095 C PRO I 151 35.124 61.501 116.887 1.00 34.65 C +ATOM 17096 O PRO I 151 35.629 60.424 116.544 1.00 34.38 O +ATOM 17097 CB PRO I 151 35.724 63.341 115.280 1.00 32.04 C +ATOM 17098 CG PRO I 151 35.598 64.621 116.021 1.00 34.76 C +ATOM 17099 CD PRO I 151 34.171 64.782 116.403 1.00 33.15 C +ATOM 17100 N LYS I 152 35.025 61.906 118.153 1.00 39.73 N +ATOM 17101 CA LYS I 152 35.388 61.034 119.271 1.00 43.76 C +ATOM 17102 C LYS I 152 34.667 59.687 119.102 1.00 39.06 C +ATOM 17103 O LYS I 152 33.440 59.622 119.104 1.00 39.85 O +ATOM 17104 CB LYS I 152 35.053 61.710 120.618 1.00 44.42 C +ATOM 17105 CG LYS I 152 35.878 62.984 120.874 1.00 51.27 C +ATOM 17106 CD LYS I 152 35.586 63.609 122.249 1.00 52.72 C +ATOM 17107 CE LYS I 152 36.519 64.806 122.550 1.00 60.55 C +ATOM 17108 NZ LYS I 152 36.014 66.140 122.046 1.00 66.76 N +ATOM 17109 N GLY I 153 35.440 58.628 118.915 1.00 36.12 N +ATOM 17110 CA GLY I 153 34.883 57.328 118.578 1.00 34.38 C +ATOM 17111 C GLY I 153 35.242 56.902 117.173 1.00 33.07 C +ATOM 17112 O GLY I 153 35.449 55.717 116.904 1.00 34.26 O +ATOM 17113 N TYR I 154 35.333 57.865 116.266 1.00 28.99 N +ATOM 17114 CA TYR I 154 35.514 57.576 114.846 1.00 26.50 C +ATOM 17115 C TYR I 154 36.976 57.562 114.445 1.00 25.37 C +ATOM 17116 O TYR I 154 37.338 56.964 113.432 1.00 26.60 O +ATOM 17117 CB TYR I 154 34.695 58.595 114.013 1.00 26.04 C +ATOM 17118 CG TYR I 154 33.199 58.322 114.055 1.00 21.80 C +ATOM 17119 CD1 TYR I 154 32.605 57.474 113.133 1.00 24.90 C +ATOM 17120 CD2 TYR I 154 32.403 58.893 114.998 1.00 23.28 C +ATOM 17121 CE1 TYR I 154 31.233 57.225 113.157 1.00 21.81 C +ATOM 17122 CE2 TYR I 154 31.026 58.645 115.040 1.00 23.82 C +ATOM 17123 CZ TYR I 154 30.453 57.815 114.103 1.00 24.67 C +ATOM 17124 OH TYR I 154 29.080 57.558 114.142 1.00 28.46 O +ATOM 17125 N PHE I 155 37.815 58.195 115.254 1.00 25.33 N +ATOM 17126 CA PHE I 155 39.223 58.339 114.939 1.00 26.84 C +ATOM 17127 C PHE I 155 40.044 58.064 116.173 1.00 29.35 C +ATOM 17128 O PHE I 155 39.546 58.156 117.281 1.00 31.40 O +ATOM 17129 CB PHE I 155 39.493 59.750 114.380 1.00 27.12 C +ATOM 17130 CG PHE I 155 38.643 60.077 113.180 1.00 25.40 C +ATOM 17131 CD1 PHE I 155 38.927 59.507 111.938 1.00 17.99 C +ATOM 17132 CD2 PHE I 155 37.492 60.845 113.315 1.00 24.02 C +ATOM 17133 CE1 PHE I 155 38.120 59.744 110.853 1.00 23.05 C +ATOM 17134 CE2 PHE I 155 36.683 61.079 112.236 1.00 23.80 C +ATOM 17135 CZ PHE I 155 37.004 60.538 110.990 1.00 21.41 C +ATOM 17136 N GLU I 156 41.309 57.719 115.972 1.00 31.85 N +ATOM 17137 CA GLU I 156 42.179 57.299 117.058 1.00 36.18 C +ATOM 17138 C GLU I 156 42.935 58.436 117.703 1.00 34.21 C +ATOM 17139 O GLU I 156 43.061 58.450 118.914 1.00 35.00 O +ATOM 17140 CB GLU I 156 43.202 56.283 116.555 1.00 37.17 C +ATOM 17141 CG GLU I 156 42.615 54.931 116.189 1.00 41.21 C +ATOM 17142 CD GLU I 156 43.707 53.976 115.689 1.00 44.73 C +ATOM 17143 OE1 GLU I 156 44.742 53.876 116.406 1.00 42.20 O +ATOM 17144 OE2 GLU I 156 43.531 53.363 114.585 1.00 51.73 O +ATOM 17145 N ALA I 157 43.469 59.361 116.896 1.00 35.02 N +ATOM 17146 CA ALA I 157 44.225 60.503 117.417 1.00 34.74 C +ATOM 17147 C ALA I 157 43.398 61.276 118.439 1.00 35.94 C +ATOM 17148 O ALA I 157 42.203 61.566 118.217 1.00 35.51 O +ATOM 17149 CB ALA I 157 44.679 61.424 116.287 1.00 33.53 C +ATOM 17150 N GLU I 158 44.023 61.589 119.571 1.00 37.66 N +ATOM 17151 CA GLU I 158 43.329 62.293 120.652 1.00 40.78 C +ATOM 17152 C GLU I 158 43.237 63.781 120.302 1.00 38.07 C +ATOM 17153 O GLU I 158 42.146 64.370 120.367 1.00 38.24 O +ATOM 17154 CB GLU I 158 44.029 62.081 122.005 1.00 42.69 C +ATOM 17155 N ILE I 159 44.365 64.362 119.881 1.00 35.51 N +ATOM 17156 CA ILE I 159 44.370 65.720 119.312 1.00 34.09 C +ATOM 17157 C ILE I 159 44.072 65.664 117.800 1.00 32.70 C +ATOM 17158 O ILE I 159 44.764 64.982 117.021 1.00 30.45 O +ATOM 17159 CB ILE I 159 45.682 66.464 119.574 1.00 33.47 C +ATOM 17160 CG1 ILE I 159 45.937 66.584 121.083 1.00 32.38 C +ATOM 17161 CG2 ILE I 159 45.653 67.864 118.905 1.00 29.62 C +ATOM 17162 CD1 ILE I 159 47.277 67.285 121.408 1.00 35.02 C +ATOM 17163 N ASP I 160 43.016 66.379 117.413 1.00 31.39 N +ATOM 17164 CA ASP I 160 42.555 66.417 116.042 1.00 32.34 C +ATOM 17165 C ASP I 160 41.780 67.723 115.795 1.00 31.88 C +ATOM 17166 O ASP I 160 40.555 67.747 115.697 1.00 32.59 O +ATOM 17167 CB ASP I 160 41.700 65.176 115.782 1.00 33.46 C +ATOM 17168 CG ASP I 160 41.298 65.030 114.327 1.00 35.61 C +ATOM 17169 OD1 ASP I 160 41.618 65.934 113.512 1.00 38.95 O +ATOM 17170 OD2 ASP I 160 40.642 64.018 114.006 1.00 39.77 O +ATOM 17171 N ASP I 161 42.519 68.812 115.682 1.00 31.56 N +ATOM 17172 CA ASP I 161 41.929 70.139 115.542 1.00 30.71 C +ATOM 17173 C ASP I 161 41.961 70.671 114.113 1.00 29.57 C +ATOM 17174 O ASP I 161 41.054 71.403 113.723 1.00 30.50 O +ATOM 17175 CB ASP I 161 42.657 71.141 116.450 1.00 31.17 C +ATOM 17176 CG ASP I 161 42.328 70.946 117.937 1.00 38.14 C +ATOM 17177 OD1 ASP I 161 41.285 70.340 118.278 1.00 43.24 O +ATOM 17178 OD2 ASP I 161 43.130 71.413 118.774 1.00 49.06 O +ATOM 17179 N HIS I 162 43.010 70.359 113.356 1.00 25.90 N +ATOM 17180 CA HIS I 162 43.184 70.934 112.034 1.00 23.71 C +ATOM 17181 C HIS I 162 44.123 70.079 111.150 1.00 22.59 C +ATOM 17182 O HIS I 162 45.284 69.849 111.503 1.00 20.63 O +ATOM 17183 CB HIS I 162 43.712 72.365 112.195 1.00 23.71 C +ATOM 17184 CG HIS I 162 44.146 73.001 110.911 1.00 21.25 C +ATOM 17185 ND1 HIS I 162 43.257 73.457 109.969 1.00 20.73 N +ATOM 17186 CD2 HIS I 162 45.380 73.245 110.418 1.00 21.07 C +ATOM 17187 CE1 HIS I 162 43.925 73.948 108.944 1.00 27.02 C +ATOM 17188 NE2 HIS I 162 45.215 73.836 109.193 1.00 18.54 N +ATOM 17189 N ALA I 163 43.600 69.613 110.027 1.00 20.81 N +ATOM 17190 CA ALA I 163 44.336 68.807 109.091 1.00 21.65 C +ATOM 17191 C ALA I 163 44.758 67.467 109.715 1.00 23.28 C +ATOM 17192 O ALA I 163 45.773 66.906 109.358 1.00 23.06 O +ATOM 17193 CB ALA I 163 45.557 69.563 108.565 1.00 18.99 C +ATOM 17194 N GLY I 164 43.974 66.987 110.669 1.00 23.31 N +ATOM 17195 CA GLY I 164 44.347 65.812 111.418 1.00 23.86 C +ATOM 17196 C GLY I 164 43.644 64.591 110.883 1.00 23.49 C +ATOM 17197 O GLY I 164 43.303 64.528 109.700 1.00 23.37 O +ATOM 17198 N GLU I 165 43.407 63.628 111.767 1.00 22.91 N +ATOM 17199 CA GLU I 165 42.944 62.323 111.330 1.00 22.87 C +ATOM 17200 C GLU I 165 41.554 62.409 110.691 1.00 22.23 C +ATOM 17201 O GLU I 165 41.322 61.823 109.640 1.00 22.98 O +ATOM 17202 CB GLU I 165 42.977 61.331 112.485 1.00 23.00 C +ATOM 17203 CG GLU I 165 42.753 59.874 112.034 1.00 25.67 C +ATOM 17204 CD GLU I 165 42.826 58.857 113.187 1.00 25.69 C +ATOM 17205 OE1 GLU I 165 43.719 59.001 114.065 1.00 23.34 O +ATOM 17206 OE2 GLU I 165 41.985 57.920 113.194 1.00 26.69 O +ATOM 17207 N SER I 166 40.640 63.178 111.291 1.00 22.72 N +ATOM 17208 CA SER I 166 39.278 63.273 110.745 1.00 22.92 C +ATOM 17209 C SER I 166 39.248 63.932 109.364 1.00 22.87 C +ATOM 17210 O SER I 166 38.749 63.334 108.417 1.00 24.77 O +ATOM 17211 CB SER I 166 38.272 63.914 111.739 1.00 22.39 C +ATOM 17212 OG SER I 166 38.661 65.166 112.192 1.00 27.11 O +ATOM 17213 N GLU I 167 39.786 65.142 109.234 1.00 23.60 N +ATOM 17214 CA GLU I 167 39.755 65.855 107.939 1.00 22.96 C +ATOM 17215 C GLU I 167 40.462 65.033 106.864 1.00 21.31 C +ATOM 17216 O GLU I 167 39.951 64.923 105.725 1.00 20.58 O +ATOM 17217 CB GLU I 167 40.383 67.249 108.003 1.00 22.70 C +ATOM 17218 CG GLU I 167 39.377 68.331 108.303 1.00 25.79 C +ATOM 17219 CD GLU I 167 39.965 69.711 108.220 1.00 26.28 C +ATOM 17220 OE1 GLU I 167 41.143 69.873 108.594 1.00 26.22 O +ATOM 17221 OE2 GLU I 167 39.242 70.646 107.776 1.00 24.36 O +ATOM 17222 N THR I 168 41.612 64.474 107.243 1.00 19.57 N +ATOM 17223 CA THR I 168 42.389 63.671 106.348 1.00 20.47 C +ATOM 17224 C THR I 168 41.618 62.446 105.872 1.00 20.42 C +ATOM 17225 O THR I 168 41.666 62.136 104.695 1.00 22.07 O +ATOM 17226 CB THR I 168 43.733 63.237 106.938 1.00 17.39 C +ATOM 17227 OG1 THR I 168 44.518 64.388 107.230 1.00 16.77 O +ATOM 17228 CG2 THR I 168 44.513 62.428 105.919 1.00 20.17 C +ATOM 17229 N SER I 169 40.896 61.774 106.761 1.00 20.60 N +ATOM 17230 CA SER I 169 40.148 60.573 106.377 1.00 20.50 C +ATOM 17231 C SER I 169 38.981 60.920 105.465 1.00 21.30 C +ATOM 17232 O SER I 169 38.719 60.201 104.493 1.00 20.94 O +ATOM 17233 CB SER I 169 39.604 59.859 107.605 1.00 22.08 C +ATOM 17234 OG SER I 169 40.632 59.355 108.422 1.00 19.67 O +ATOM 17235 N VAL I 170 38.259 62.003 105.792 1.00 21.25 N +ATOM 17236 CA VAL I 170 37.117 62.451 104.973 1.00 19.63 C +ATOM 17237 C VAL I 170 37.630 62.888 103.597 1.00 20.00 C +ATOM 17238 O VAL I 170 37.073 62.494 102.608 1.00 22.48 O +ATOM 17239 CB VAL I 170 36.241 63.499 105.712 1.00 19.28 C +ATOM 17240 CG1 VAL I 170 35.050 63.909 104.890 1.00 17.08 C +ATOM 17241 CG2 VAL I 170 35.770 62.945 107.063 1.00 17.51 C +HETATM17242 N MSE I 171 38.751 63.595 103.505 1.00 19.98 N +HETATM17243 CA MSE I 171 39.310 63.959 102.190 1.00 20.39 C +HETATM17244 C MSE I 171 39.737 62.734 101.366 1.00 21.19 C +HETATM17245 O MSE I 171 39.536 62.696 100.176 1.00 21.65 O +HETATM17246 CB MSE I 171 40.487 64.933 102.317 1.00 20.90 C +HETATM17247 CG MSE I 171 41.002 65.489 100.949 1.00 20.89 C +HETATM17248 SE MSE I 171 39.703 66.512 99.896 0.75 18.48 SE +HETATM17249 CE MSE I 171 39.491 68.003 101.066 1.00 16.92 C +HETATM17250 N MSE I 172 40.325 61.743 102.012 1.00 21.94 N +HETATM17251 CA MSE I 172 40.714 60.476 101.359 1.00 21.83 C +HETATM17252 C MSE I 172 39.506 59.721 100.794 1.00 22.61 C +HETATM17253 O MSE I 172 39.585 59.105 99.716 1.00 23.37 O +HETATM17254 CB MSE I 172 41.448 59.585 102.371 1.00 21.21 C +HETATM17255 CG MSE I 172 42.857 59.997 102.623 1.00 20.94 C +HETATM17256 SE MSE I 172 43.754 59.009 104.084 0.75 19.18 SE +HETATM17257 CE MSE I 172 44.508 57.510 102.994 1.00 23.56 C +ATOM 17258 N HIS I 173 38.384 59.785 101.522 1.00 22.27 N +ATOM 17259 CA HIS I 173 37.122 59.233 101.052 1.00 21.43 C +ATOM 17260 C HIS I 173 36.597 59.926 99.815 1.00 23.12 C +ATOM 17261 O HIS I 173 36.388 59.276 98.795 1.00 22.99 O +ATOM 17262 CB HIS I 173 36.071 59.312 102.139 1.00 21.98 C +ATOM 17263 CG HIS I 173 34.696 58.948 101.674 1.00 21.85 C +ATOM 17264 ND1 HIS I 173 34.419 57.747 101.053 1.00 26.02 N +ATOM 17265 CD2 HIS I 173 33.513 59.602 101.786 1.00 22.84 C +ATOM 17266 CE1 HIS I 173 33.123 57.695 100.780 1.00 27.27 C +ATOM 17267 NE2 HIS I 173 32.552 58.805 101.215 1.00 21.17 N +ATOM 17268 N TYR I 174 36.372 61.247 99.903 1.00 22.60 N +ATOM 17269 CA TYR I 174 35.795 61.999 98.786 1.00 21.47 C +ATOM 17270 C TYR I 174 36.757 62.290 97.667 1.00 20.55 C +ATOM 17271 O TYR I 174 36.341 62.341 96.529 1.00 19.46 O +ATOM 17272 CB TYR I 174 35.188 63.332 99.240 1.00 22.32 C +ATOM 17273 CG TYR I 174 33.896 63.215 100.003 1.00 20.32 C +ATOM 17274 CD1 TYR I 174 32.745 62.688 99.411 1.00 20.48 C +ATOM 17275 CD2 TYR I 174 33.788 63.725 101.276 1.00 18.59 C +ATOM 17276 CE1 TYR I 174 31.559 62.623 100.111 1.00 21.06 C +ATOM 17277 CE2 TYR I 174 32.588 63.667 101.984 1.00 21.90 C +ATOM 17278 CZ TYR I 174 31.491 63.122 101.408 1.00 22.93 C +ATOM 17279 OH TYR I 174 30.311 63.103 102.125 1.00 20.57 O +ATOM 17280 N HIS I 175 38.023 62.523 97.965 1.00 21.63 N +ATOM 17281 CA HIS I 175 38.969 62.867 96.934 1.00 22.17 C +ATOM 17282 C HIS I 175 40.371 62.323 97.210 1.00 23.29 C +ATOM 17283 O HIS I 175 41.293 63.112 97.448 1.00 23.36 O +ATOM 17284 CB HIS I 175 39.082 64.379 96.820 1.00 23.73 C +ATOM 17285 CG HIS I 175 37.845 65.061 96.342 1.00 22.14 C +ATOM 17286 ND1 HIS I 175 37.547 65.197 95.003 1.00 24.53 N +ATOM 17287 CD2 HIS I 175 36.848 65.687 97.022 1.00 22.64 C +ATOM 17288 CE1 HIS I 175 36.404 65.856 94.877 1.00 29.46 C +ATOM 17289 NE2 HIS I 175 35.964 66.170 96.087 1.00 23.09 N +ATOM 17290 N PRO I 176 40.552 60.992 97.086 1.00 25.18 N +ATOM 17291 CA PRO I 176 41.844 60.371 97.315 1.00 26.15 C +ATOM 17292 C PRO I 176 42.934 60.921 96.425 1.00 25.82 C +ATOM 17293 O PRO I 176 44.099 60.898 96.813 1.00 27.32 O +ATOM 17294 CB PRO I 176 41.598 58.881 97.025 1.00 26.11 C +ATOM 17295 CG PRO I 176 40.317 58.806 96.328 1.00 25.60 C +ATOM 17296 CD PRO I 176 39.532 59.995 96.682 1.00 25.53 C +ATOM 17297 N GLU I 177 42.551 61.434 95.263 1.00 27.41 N +ATOM 17298 CA GLU I 177 43.487 62.035 94.326 1.00 27.65 C +ATOM 17299 C GLU I 177 44.090 63.367 94.822 1.00 27.57 C +ATOM 17300 O GLU I 177 45.158 63.787 94.339 1.00 26.96 O +ATOM 17301 CB GLU I 177 42.809 62.179 92.945 1.00 28.58 C +ATOM 17302 CG GLU I 177 41.842 63.402 92.755 1.00 29.70 C +ATOM 17303 CD GLU I 177 40.412 63.231 93.334 1.00 33.89 C +ATOM 17304 OE1 GLU I 177 40.036 62.112 93.799 1.00 30.96 O +ATOM 17305 OE2 GLU I 177 39.662 64.251 93.313 1.00 34.07 O +ATOM 17306 N LEU I 178 43.439 64.033 95.794 1.00 26.53 N +ATOM 17307 CA LEU I 178 43.930 65.355 96.266 1.00 25.62 C +ATOM 17308 C LEU I 178 44.830 65.280 97.498 1.00 26.61 C +ATOM 17309 O LEU I 178 45.292 66.308 97.972 1.00 28.39 O +ATOM 17310 CB LEU I 178 42.765 66.333 96.547 1.00 25.37 C +ATOM 17311 CG LEU I 178 41.924 66.788 95.354 1.00 24.90 C +ATOM 17312 CD1 LEU I 178 40.818 67.713 95.826 1.00 24.59 C +ATOM 17313 CD2 LEU I 178 42.765 67.464 94.254 1.00 25.21 C +ATOM 17314 N VAL I 179 45.035 64.079 98.034 1.00 26.90 N +ATOM 17315 CA VAL I 179 45.810 63.888 99.256 1.00 27.19 C +ATOM 17316 C VAL I 179 46.723 62.684 99.191 1.00 28.11 C +ATOM 17317 O VAL I 179 46.307 61.608 98.832 1.00 28.42 O +ATOM 17318 CB VAL I 179 44.929 63.774 100.536 1.00 28.35 C +ATOM 17319 CG1 VAL I 179 43.774 62.809 100.362 1.00 26.53 C +ATOM 17320 CG2 VAL I 179 45.805 63.414 101.725 1.00 28.49 C +ATOM 17321 N ASN I 180 47.992 62.913 99.492 1.00 29.28 N +ATOM 17322 CA ASN I 180 48.954 61.843 99.652 1.00 30.70 C +ATOM 17323 C ASN I 180 49.373 61.796 101.112 1.00 27.63 C +ATOM 17324 O ASN I 180 50.169 62.618 101.555 1.00 26.92 O +ATOM 17325 CB ASN I 180 50.164 62.071 98.746 1.00 31.08 C +ATOM 17326 CG ASN I 180 49.834 61.869 97.278 1.00 40.48 C +ATOM 17327 OD1 ASN I 180 49.030 60.993 96.925 1.00 41.78 O +ATOM 17328 ND2 ASN I 180 50.454 62.682 96.405 1.00 41.14 N +ATOM 17329 N LEU I 181 48.824 60.835 101.850 1.00 26.98 N +ATOM 17330 CA LEU I 181 49.070 60.719 103.284 1.00 27.15 C +ATOM 17331 C LEU I 181 50.556 60.644 103.648 1.00 27.08 C +ATOM 17332 O LEU I 181 50.963 61.199 104.667 1.00 27.00 O +ATOM 17333 CB LEU I 181 48.320 59.523 103.875 1.00 26.39 C +ATOM 17334 CG LEU I 181 48.422 59.337 105.381 1.00 26.37 C +ATOM 17335 CD1 LEU I 181 48.045 60.616 106.173 1.00 26.34 C +ATOM 17336 CD2 LEU I 181 47.555 58.136 105.762 1.00 26.12 C +ATOM 17337 N ALA I 182 51.370 59.997 102.826 1.00 28.00 N +ATOM 17338 CA ALA I 182 52.841 59.942 103.076 1.00 28.96 C +ATOM 17339 C ALA I 182 53.531 61.310 103.164 1.00 30.02 C +ATOM 17340 O ALA I 182 54.646 61.410 103.692 1.00 30.51 O +ATOM 17341 CB ALA I 182 53.550 59.087 101.995 1.00 28.76 C +ATOM 17342 N GLU I 183 52.911 62.357 102.612 1.00 30.74 N +ATOM 17343 CA GLU I 183 53.495 63.716 102.634 1.00 31.41 C +ATOM 17344 C GLU I 183 53.246 64.470 103.938 1.00 27.95 C +ATOM 17345 O GLU I 183 53.846 65.521 104.176 1.00 27.67 O +ATOM 17346 CB GLU I 183 52.938 64.537 101.457 1.00 32.13 C +ATOM 17347 CG GLU I 183 53.269 63.963 100.064 1.00 36.19 C +ATOM 17348 CD GLU I 183 52.611 64.732 98.900 1.00 38.07 C +ATOM 17349 OE1 GLU I 183 52.132 65.879 99.093 1.00 42.46 O +ATOM 17350 OE2 GLU I 183 52.575 64.170 97.775 1.00 45.21 O +ATOM 17351 N ALA I 184 52.373 63.932 104.787 1.00 26.69 N +ATOM 17352 CA ALA I 184 51.960 64.589 106.033 1.00 25.58 C +ATOM 17353 C ALA I 184 53.085 64.683 107.068 1.00 26.22 C +ATOM 17354 O ALA I 184 53.901 63.779 107.210 1.00 27.15 O +ATOM 17355 CB ALA I 184 50.704 63.889 106.641 1.00 21.10 C +ATOM 17356 N GLY I 185 53.137 65.820 107.758 1.00 26.13 N +ATOM 17357 CA GLY I 185 53.933 65.963 108.976 1.00 24.73 C +ATOM 17358 C GLY I 185 53.176 65.441 110.179 1.00 25.17 C +ATOM 17359 O GLY I 185 51.999 65.098 110.084 1.00 24.09 O +ATOM 17360 N ASP I 186 53.835 65.414 111.343 1.00 26.58 N +ATOM 17361 CA AASP I 186 53.189 64.832 112.528 0.50 28.31 C +ATOM 17362 CA BASP I 186 53.247 64.861 112.571 0.50 28.16 C +ATOM 17363 C ASP I 186 52.135 65.745 113.184 1.00 27.43 C +ATOM 17364 O ASP I 186 51.415 65.312 114.097 1.00 27.13 O +ATOM 17365 CB AASP I 186 54.226 64.319 113.551 0.50 30.74 C +ATOM 17366 CB BASP I 186 54.357 64.630 113.618 0.50 29.63 C +ATOM 17367 CG AASP I 186 55.083 65.422 114.162 0.50 33.41 C +ATOM 17368 CG BASP I 186 55.263 63.434 113.284 0.50 33.96 C +ATOM 17369 OD1AASP I 186 54.996 66.594 113.726 0.50 41.32 O +ATOM 17370 OD1BASP I 186 55.198 62.919 112.145 0.50 33.82 O +ATOM 17371 OD2AASP I 186 55.857 65.100 115.099 0.50 37.22 O +ATOM 17372 OD2BASP I 186 56.030 63.007 114.184 0.50 32.20 O +ATOM 17373 N GLY I 187 52.016 66.990 112.713 1.00 27.09 N +ATOM 17374 CA GLY I 187 51.017 67.925 113.247 1.00 26.89 C +ATOM 17375 C GLY I 187 51.177 68.235 114.727 1.00 26.96 C +ATOM 17376 O GLY I 187 50.188 68.409 115.443 1.00 25.89 O +ATOM 17377 N GLU I 188 52.424 68.288 115.183 1.00 27.96 N +ATOM 17378 CA GLU I 188 52.728 68.557 116.597 1.00 30.94 C +ATOM 17379 C GLU I 188 52.309 69.972 116.933 1.00 30.73 C +ATOM 17380 O GLU I 188 52.451 70.872 116.101 1.00 29.89 O +ATOM 17381 CB GLU I 188 54.220 68.383 116.914 1.00 32.60 C +ATOM 17382 CG GLU I 188 54.629 66.941 117.211 1.00 48.10 C +ATOM 17383 CD GLU I 188 53.939 66.334 118.448 1.00 58.18 C +ATOM 17384 OE1 GLU I 188 53.887 66.999 119.514 1.00 61.12 O +ATOM 17385 OE2 GLU I 188 53.458 65.179 118.337 1.00 60.47 O +ATOM 17386 N SER I 189 51.736 70.137 118.131 1.00 31.97 N +ATOM 17387 CA SER I 189 51.231 71.428 118.584 1.00 32.76 C +ATOM 17388 C SER I 189 51.770 71.750 119.966 1.00 33.55 C +ATOM 17389 O SER I 189 52.121 70.860 120.741 1.00 34.50 O +ATOM 17390 CB SER I 189 49.697 71.469 118.565 1.00 32.55 C +ATOM 17391 OG SER I 189 49.124 70.439 119.350 1.00 38.41 O +ATOM 17392 N LYS I 190 51.860 73.039 120.250 1.00 32.28 N +ATOM 17393 CA LYS I 190 52.373 73.516 121.503 1.00 34.46 C +ATOM 17394 C LYS I 190 51.315 74.360 122.181 1.00 31.73 C +ATOM 17395 O LYS I 190 50.611 75.109 121.524 1.00 30.52 O +ATOM 17396 CB LYS I 190 53.626 74.345 121.282 1.00 33.31 C +ATOM 17397 CG LYS I 190 54.852 73.569 120.861 1.00 40.52 C +ATOM 17398 CD LYS I 190 56.055 74.525 120.767 1.00 44.48 C +ATOM 17399 CE LYS I 190 56.856 74.337 119.469 1.00 55.21 C +ATOM 17400 NZ LYS I 190 56.078 74.724 118.218 1.00 55.56 N +ATOM 17401 N PRO I 191 51.227 74.259 123.512 1.00 30.93 N +ATOM 17402 CA PRO I 191 50.254 75.048 124.269 1.00 29.48 C +ATOM 17403 C PRO I 191 50.724 76.471 124.534 1.00 27.25 C +ATOM 17404 O PRO I 191 51.880 76.851 124.200 1.00 26.13 O +ATOM 17405 CB PRO I 191 50.168 74.289 125.595 1.00 30.22 C +ATOM 17406 CG PRO I 191 51.550 73.807 125.802 1.00 30.37 C +ATOM 17407 CD PRO I 191 52.052 73.423 124.406 1.00 30.62 C +ATOM 17408 N PHE I 192 49.825 77.237 125.159 1.00 26.44 N +ATOM 17409 CA PHE I 192 50.150 78.543 125.694 1.00 25.66 C +ATOM 17410 C PHE I 192 51.048 78.391 126.947 1.00 26.21 C +ATOM 17411 O PHE I 192 51.043 77.343 127.631 1.00 25.78 O +ATOM 17412 CB PHE I 192 48.866 79.288 126.102 1.00 26.16 C +ATOM 17413 CG PHE I 192 47.874 79.553 124.959 1.00 23.99 C +ATOM 17414 CD1 PHE I 192 48.238 80.288 123.843 1.00 22.74 C +ATOM 17415 CD2 PHE I 192 46.563 79.087 125.041 1.00 24.56 C +ATOM 17416 CE1 PHE I 192 47.307 80.544 122.818 1.00 19.94 C +ATOM 17417 CE2 PHE I 192 45.642 79.333 124.030 1.00 23.12 C +ATOM 17418 CZ PHE I 192 46.023 80.065 122.922 1.00 23.01 C +ATOM 17419 N ALA I 193 51.777 79.464 127.264 1.00 26.35 N +ATOM 17420 CA ALA I 193 52.502 79.598 128.540 1.00 27.32 C +ATOM 17421 C ALA I 193 51.579 79.982 129.724 1.00 28.06 C +ATOM 17422 O ALA I 193 52.014 79.936 130.873 1.00 29.32 O +ATOM 17423 CB ALA I 193 53.642 80.637 128.392 1.00 23.07 C +ATOM 17424 N ILE I 194 50.338 80.379 129.404 1.00 27.95 N +ATOM 17425 CA ILE I 194 49.315 80.857 130.335 1.00 25.20 C +ATOM 17426 C ILE I 194 48.351 79.694 130.568 1.00 26.09 C +ATOM 17427 O ILE I 194 47.505 79.373 129.722 1.00 25.99 O +ATOM 17428 CB ILE I 194 48.573 82.120 129.777 1.00 25.80 C +ATOM 17429 CG1 ILE I 194 49.540 83.303 129.602 1.00 22.81 C +ATOM 17430 CG2 ILE I 194 47.396 82.559 130.673 1.00 19.60 C +ATOM 17431 CD1 ILE I 194 48.890 84.517 128.933 1.00 22.79 C +ATOM 17432 N ALA I 195 48.510 79.060 131.733 1.00 25.60 N +ATOM 17433 CA ALA I 195 47.844 77.808 132.041 1.00 25.08 C +ATOM 17434 C ALA I 195 46.329 77.927 131.960 1.00 24.52 C +ATOM 17435 O ALA I 195 45.702 77.050 131.402 1.00 25.74 O +ATOM 17436 CB ALA I 195 48.298 77.260 133.411 1.00 24.76 C +ATOM 17437 N SER I 196 45.739 79.006 132.483 1.00 24.06 N +ATOM 17438 CA SER I 196 44.279 79.198 132.441 1.00 23.70 C +ATOM 17439 C SER I 196 43.705 79.219 131.021 1.00 23.56 C +ATOM 17440 O SER I 196 42.546 78.842 130.817 1.00 23.60 O +ATOM 17441 CB SER I 196 43.879 80.471 133.208 1.00 24.29 C +ATOM 17442 OG SER I 196 44.412 80.445 134.520 1.00 21.43 O +ATOM 17443 N LEU I 197 44.508 79.666 130.045 1.00 23.34 N +ATOM 17444 CA LEU I 197 44.083 79.670 128.665 1.00 24.21 C +ATOM 17445 C LEU I 197 44.065 78.261 128.064 1.00 24.80 C +ATOM 17446 O LEU I 197 43.165 77.937 127.331 1.00 25.25 O +ATOM 17447 CB LEU I 197 44.922 80.633 127.808 1.00 24.44 C +ATOM 17448 CG LEU I 197 44.879 82.130 128.125 1.00 20.42 C +ATOM 17449 CD1 LEU I 197 45.771 82.801 127.135 1.00 20.28 C +ATOM 17450 CD2 LEU I 197 43.466 82.723 128.114 1.00 17.77 C +ATOM 17451 N ASN I 198 45.023 77.416 128.439 1.00 26.81 N +ATOM 17452 CA ASN I 198 44.973 75.999 128.076 1.00 27.11 C +ATOM 17453 C ASN I 198 43.774 75.314 128.730 1.00 27.56 C +ATOM 17454 O ASN I 198 43.145 74.483 128.114 1.00 27.56 O +ATOM 17455 CB ASN I 198 46.248 75.272 128.448 1.00 26.34 C +ATOM 17456 CG ASN I 198 47.474 75.874 127.810 1.00 25.88 C +ATOM 17457 OD1 ASN I 198 47.470 76.243 126.640 1.00 25.14 O +ATOM 17458 ND2 ASN I 198 48.535 75.966 128.572 1.00 24.51 N +ATOM 17459 N GLU I 199 43.429 75.713 129.943 1.00 28.37 N +ATOM 17460 CA GLU I 199 42.285 75.153 130.662 1.00 31.14 C +ATOM 17461 C GLU I 199 40.951 75.720 130.167 1.00 30.05 C +ATOM 17462 O GLU I 199 39.896 75.253 130.568 1.00 29.53 O +ATOM 17463 CB GLU I 199 42.479 75.380 132.173 1.00 30.77 C +ATOM 17464 CG GLU I 199 43.671 74.555 132.741 1.00 35.86 C +ATOM 17465 CD GLU I 199 44.386 75.194 133.969 1.00 41.30 C +ATOM 17466 OE1 GLU I 199 43.997 76.303 134.455 1.00 47.21 O +ATOM 17467 OE2 GLU I 199 45.366 74.553 134.449 1.00 55.81 O +ATOM 17468 N LYS I 200 41.031 76.743 129.314 1.00 29.92 N +ATOM 17469 CA LYS I 200 39.887 77.388 128.654 1.00 29.78 C +ATOM 17470 C LYS I 200 39.040 78.263 129.576 1.00 27.62 C +ATOM 17471 O LYS I 200 37.854 78.466 129.313 1.00 27.67 O +ATOM 17472 CB LYS I 200 39.036 76.365 127.878 1.00 31.35 C +ATOM 17473 CG LYS I 200 39.902 75.515 126.951 1.00 35.82 C +ATOM 17474 CD LYS I 200 39.138 74.779 125.894 1.00 42.72 C +ATOM 17475 CE LYS I 200 40.130 74.323 124.796 1.00 50.71 C +ATOM 17476 NZ LYS I 200 39.474 73.582 123.665 1.00 55.29 N +ATOM 17477 N VAL I 201 39.660 78.803 130.621 1.00 24.88 N +ATOM 17478 CA VAL I 201 39.013 79.788 131.486 1.00 24.30 C +ATOM 17479 C VAL I 201 38.631 81.021 130.660 1.00 23.77 C +ATOM 17480 O VAL I 201 37.554 81.601 130.847 1.00 23.06 O +ATOM 17481 CB VAL I 201 39.935 80.194 132.614 1.00 23.78 C +ATOM 17482 CG1 VAL I 201 39.303 81.374 133.449 1.00 21.59 C +ATOM 17483 CG2 VAL I 201 40.266 78.982 133.462 1.00 18.08 C +ATOM 17484 N ALA I 202 39.520 81.394 129.735 1.00 22.32 N +ATOM 17485 CA ALA I 202 39.234 82.394 128.717 1.00 21.13 C +ATOM 17486 C ALA I 202 39.759 81.917 127.351 1.00 22.06 C +ATOM 17487 O ALA I 202 40.566 80.999 127.299 1.00 21.88 O +ATOM 17488 CB ALA I 202 39.838 83.759 129.101 1.00 18.47 C +ATOM 17489 N TRP I 203 39.273 82.540 126.272 1.00 22.15 N +ATOM 17490 CA TRP I 203 39.682 82.214 124.895 1.00 20.84 C +ATOM 17491 C TRP I 203 40.597 83.278 124.297 1.00 20.44 C +ATOM 17492 O TRP I 203 40.302 84.479 124.357 1.00 19.09 O +ATOM 17493 CB TRP I 203 38.467 82.023 123.980 1.00 21.84 C +ATOM 17494 CG TRP I 203 38.826 81.652 122.563 1.00 20.07 C +ATOM 17495 CD1 TRP I 203 39.020 80.396 122.063 1.00 22.10 C +ATOM 17496 CD2 TRP I 203 39.036 82.555 121.470 1.00 18.02 C +ATOM 17497 NE1 TRP I 203 39.324 80.468 120.724 1.00 23.62 N +ATOM 17498 CE2 TRP I 203 39.360 81.785 120.346 1.00 20.61 C +ATOM 17499 CE3 TRP I 203 38.997 83.953 121.341 1.00 22.42 C +ATOM 17500 CZ2 TRP I 203 39.632 82.360 119.104 1.00 24.48 C +ATOM 17501 CZ3 TRP I 203 39.261 84.522 120.100 1.00 21.68 C +ATOM 17502 CH2 TRP I 203 39.583 83.732 119.006 1.00 21.93 C +ATOM 17503 N VAL I 204 41.717 82.817 123.750 1.00 19.55 N +ATOM 17504 CA VAL I 204 42.647 83.619 122.938 1.00 20.23 C +ATOM 17505 C VAL I 204 42.973 82.769 121.695 1.00 21.55 C +ATOM 17506 O VAL I 204 43.117 81.558 121.810 1.00 21.48 O +ATOM 17507 CB VAL I 204 43.929 83.928 123.735 1.00 20.91 C +ATOM 17508 CG1 VAL I 204 45.064 84.563 122.837 1.00 21.46 C +ATOM 17509 CG2 VAL I 204 43.609 84.812 124.886 1.00 18.08 C +ATOM 17510 N PRO I 205 43.079 83.376 120.494 1.00 21.05 N +ATOM 17511 CA PRO I 205 43.396 82.476 119.364 1.00 22.49 C +ATOM 17512 C PRO I 205 44.836 81.908 119.414 1.00 22.59 C +ATOM 17513 O PRO I 205 45.774 82.609 119.785 1.00 22.93 O +ATOM 17514 CB PRO I 205 43.216 83.371 118.139 1.00 23.03 C +ATOM 17515 CG PRO I 205 43.430 84.792 118.670 1.00 21.80 C +ATOM 17516 CD PRO I 205 42.955 84.783 120.080 1.00 20.64 C +ATOM 17517 N ARG I 206 44.970 80.634 119.074 1.00 23.59 N +ATOM 17518 CA ARG I 206 46.255 79.975 118.951 1.00 24.95 C +ATOM 17519 C ARG I 206 47.083 80.772 117.939 1.00 22.71 C +ATOM 17520 O ARG I 206 46.544 81.239 116.939 1.00 21.54 O +ATOM 17521 CB ARG I 206 46.024 78.539 118.460 1.00 24.53 C +ATOM 17522 CG ARG I 206 47.268 77.699 118.212 1.00 31.06 C +ATOM 17523 CD ARG I 206 47.024 76.379 117.416 1.00 32.08 C +ATOM 17524 NE ARG I 206 46.033 75.440 117.984 1.00 41.85 N +ATOM 17525 CZ ARG I 206 46.259 74.580 118.996 1.00 49.21 C +ATOM 17526 NH1 ARG I 206 47.439 74.533 119.647 1.00 45.73 N +ATOM 17527 NH2 ARG I 206 45.278 73.756 119.382 1.00 48.16 N +ATOM 17528 N HIS I 207 48.378 80.936 118.194 1.00 22.36 N +ATOM 17529 CA HIS I 207 49.270 81.532 117.218 1.00 22.33 C +ATOM 17530 C HIS I 207 49.996 80.424 116.470 1.00 24.13 C +ATOM 17531 O HIS I 207 50.755 79.639 117.074 1.00 23.13 O +ATOM 17532 CB HIS I 207 50.276 82.458 117.872 1.00 22.89 C +ATOM 17533 CG HIS I 207 49.669 83.682 118.458 1.00 22.05 C +ATOM 17534 ND1 HIS I 207 50.346 84.874 118.538 1.00 24.56 N +ATOM 17535 CD2 HIS I 207 48.437 83.910 118.972 1.00 21.30 C +ATOM 17536 CE1 HIS I 207 49.563 85.784 119.090 1.00 21.68 C +ATOM 17537 NE2 HIS I 207 48.395 85.227 119.355 1.00 18.88 N +ATOM 17538 N TRP I 208 49.770 80.380 115.160 1.00 23.67 N +ATOM 17539 CA TRP I 208 50.255 79.287 114.346 1.00 24.18 C +ATOM 17540 C TRP I 208 51.753 79.233 114.261 1.00 25.27 C +ATOM 17541 O TRP I 208 52.316 78.152 114.245 1.00 25.38 O +ATOM 17542 CB TRP I 208 49.685 79.334 112.938 1.00 23.58 C +ATOM 17543 CG TRP I 208 48.827 78.158 112.571 1.00 24.19 C +ATOM 17544 CD1 TRP I 208 49.107 77.212 111.632 1.00 24.95 C +ATOM 17545 CD2 TRP I 208 47.528 77.831 113.096 1.00 25.50 C +ATOM 17546 NE1 TRP I 208 48.068 76.303 111.546 1.00 27.01 N +ATOM 17547 CE2 TRP I 208 47.087 76.663 112.425 1.00 24.77 C +ATOM 17548 CE3 TRP I 208 46.705 78.401 114.070 1.00 23.69 C +ATOM 17549 CZ2 TRP I 208 45.865 76.065 112.693 1.00 25.18 C +ATOM 17550 CZ3 TRP I 208 45.496 77.814 114.335 1.00 26.40 C +ATOM 17551 CH2 TRP I 208 45.078 76.652 113.653 1.00 29.25 C +ATOM 17552 N ASP I 209 52.394 80.386 114.259 1.00 25.55 N +ATOM 17553 CA ASP I 209 53.842 80.459 114.163 1.00 27.94 C +ATOM 17554 C ASP I 209 54.582 79.984 115.422 1.00 29.22 C +ATOM 17555 O ASP I 209 55.759 79.693 115.350 1.00 29.39 O +ATOM 17556 CB ASP I 209 54.285 81.888 113.795 1.00 27.85 C +ATOM 17557 CG ASP I 209 53.873 82.953 114.838 1.00 28.77 C +ATOM 17558 OD1 ASP I 209 52.728 82.924 115.319 1.00 25.85 O +ATOM 17559 OD2 ASP I 209 54.702 83.841 115.149 1.00 33.93 O +ATOM 17560 N LYS I 210 53.910 79.964 116.570 1.00 29.56 N +ATOM 17561 CA LYS I 210 54.485 79.481 117.823 1.00 29.62 C +ATOM 17562 C LYS I 210 53.951 78.105 118.216 1.00 30.05 C +ATOM 17563 O LYS I 210 54.640 77.356 118.910 1.00 31.73 O +ATOM 17564 CB LYS I 210 54.182 80.446 118.952 1.00 30.67 C +ATOM 17565 CG LYS I 210 54.380 81.924 118.648 1.00 33.23 C +ATOM 17566 CD LYS I 210 55.780 82.451 118.925 1.00 40.20 C +ATOM 17567 CE LYS I 210 55.833 83.965 118.712 1.00 43.40 C +ATOM 17568 NZ LYS I 210 54.597 84.694 119.191 1.00 49.60 N +ATOM 17569 N ALA I 211 52.743 77.771 117.756 1.00 28.95 N +ATOM 17570 CA ALA I 211 51.999 76.601 118.170 1.00 28.77 C +ATOM 17571 C ALA I 211 52.158 75.390 117.253 1.00 30.31 C +ATOM 17572 O ALA I 211 51.944 74.273 117.702 1.00 31.83 O +ATOM 17573 CB ALA I 211 50.521 76.957 118.224 1.00 28.79 C +ATOM 17574 N THR I 212 52.488 75.611 115.976 1.00 30.25 N +ATOM 17575 CA ATHR I 212 52.525 74.571 114.932 0.50 29.45 C +ATOM 17576 CA BTHR I 212 52.595 74.503 115.035 0.50 31.43 C +ATOM 17577 C THR I 212 53.866 74.614 114.172 1.00 32.23 C +ATOM 17578 O THR I 212 54.481 75.676 114.061 1.00 35.01 O +ATOM 17579 CB ATHR I 212 51.407 74.793 113.887 0.50 28.10 C +ATOM 17580 CB BTHR I 212 51.322 74.369 114.190 0.50 30.11 C +ATOM 17581 OG1ATHR I 212 51.709 75.953 113.091 0.50 22.85 O +ATOM 17582 OG1BTHR I 212 51.276 73.061 113.600 0.50 36.37 O +ATOM 17583 CG2ATHR I 212 50.052 74.969 114.546 0.50 24.21 C +ATOM 17584 CG2BTHR I 212 51.277 75.432 113.122 0.50 31.32 C +ATOM 17585 N VAL I 213 54.301 73.480 113.644 1.00 32.44 N +ATOM 17586 CA VAL I 213 55.507 73.406 112.813 1.00 33.21 C +ATOM 17587 C VAL I 213 55.118 73.265 111.328 1.00 31.47 C +ATOM 17588 O VAL I 213 55.616 74.014 110.484 1.00 31.88 O +ATOM 17589 CB VAL I 213 56.452 72.244 113.241 1.00 34.47 C +ATOM 17590 CG1 VAL I 213 57.573 72.090 112.249 1.00 35.07 C +ATOM 17591 CG2 VAL I 213 56.999 72.486 114.650 1.00 34.72 C +ATOM 17592 N ASP I 214 54.217 72.333 111.019 1.00 28.66 N +ATOM 17593 CA ASP I 214 53.839 72.018 109.606 1.00 29.01 C +ATOM 17594 C ASP I 214 52.504 72.641 109.193 1.00 27.25 C +ATOM 17595 O ASP I 214 52.019 72.411 108.086 1.00 26.06 O +ATOM 17596 CB ASP I 214 53.830 70.484 109.344 1.00 27.40 C +ATOM 17597 CG ASP I 214 53.030 69.699 110.394 1.00 31.36 C +ATOM 17598 OD1 ASP I 214 51.916 70.131 110.725 1.00 31.06 O +ATOM 17599 OD2 ASP I 214 53.506 68.649 110.895 1.00 32.15 O +ATOM 17600 N SER I 215 51.943 73.442 110.102 1.00 26.04 N +ATOM 17601 CA SER I 215 50.633 74.077 109.990 1.00 25.60 C +ATOM 17602 C SER I 215 49.467 73.177 110.381 1.00 25.51 C +ATOM 17603 O SER I 215 48.357 73.662 110.458 1.00 27.38 O +ATOM 17604 CB SER I 215 50.379 74.730 108.611 1.00 25.77 C +ATOM 17605 OG SER I 215 49.736 73.829 107.721 1.00 24.20 O +ATOM 17606 N GLY I 216 49.685 71.901 110.644 1.00 23.66 N +ATOM 17607 CA GLY I 216 48.627 71.070 111.187 1.00 22.65 C +ATOM 17608 C GLY I 216 48.563 71.051 112.720 1.00 22.49 C +ATOM 17609 O GLY I 216 49.528 71.372 113.428 1.00 21.67 O +ATOM 17610 N VAL I 217 47.392 70.700 113.220 1.00 22.90 N +ATOM 17611 CA VAL I 217 47.171 70.520 114.631 1.00 24.21 C +ATOM 17612 C VAL I 217 46.506 69.147 114.837 1.00 24.71 C +ATOM 17613 O VAL I 217 45.273 69.004 114.774 1.00 23.72 O +ATOM 17614 CB VAL I 217 46.331 71.643 115.224 1.00 23.05 C +ATOM 17615 CG1 VAL I 217 46.191 71.424 116.713 1.00 22.38 C +ATOM 17616 CG2 VAL I 217 46.998 72.998 114.936 1.00 25.05 C +ATOM 17617 N GLY I 218 47.351 68.143 115.064 1.00 25.22 N +ATOM 17618 CA GLY I 218 46.898 66.759 115.245 1.00 25.84 C +ATOM 17619 C GLY I 218 47.564 65.871 114.218 1.00 26.49 C +ATOM 17620 O GLY I 218 47.746 66.267 113.065 1.00 26.21 O +ATOM 17621 N ASN I 219 47.943 64.668 114.649 1.00 27.35 N +ATOM 17622 CA ASN I 219 48.673 63.722 113.803 1.00 26.47 C +ATOM 17623 C ASN I 219 47.666 62.982 112.932 1.00 24.23 C +ATOM 17624 O ASN I 219 46.781 62.303 113.478 1.00 25.54 O +ATOM 17625 CB ASN I 219 49.465 62.739 114.689 1.00 26.53 C +ATOM 17626 CG ASN I 219 50.419 61.895 113.892 1.00 31.21 C +ATOM 17627 OD1 ASN I 219 50.177 61.618 112.710 1.00 31.75 O +ATOM 17628 ND2 ASN I 219 51.522 61.492 114.516 1.00 22.43 N +ATOM 17629 N PRO I 220 47.758 63.138 111.589 1.00 23.32 N +ATOM 17630 CA PRO I 220 46.800 62.527 110.659 1.00 24.83 C +ATOM 17631 C PRO I 220 47.146 61.098 110.204 1.00 25.92 C +ATOM 17632 O PRO I 220 46.409 60.502 109.401 1.00 24.04 O +ATOM 17633 CB PRO I 220 46.895 63.443 109.454 1.00 24.68 C +ATOM 17634 CG PRO I 220 48.362 63.794 109.413 1.00 19.46 C +ATOM 17635 CD PRO I 220 48.762 63.954 110.850 1.00 23.61 C +ATOM 17636 N LYS I 221 48.255 60.570 110.715 1.00 27.72 N +ATOM 17637 CA LYS I 221 48.915 59.439 110.076 1.00 29.34 C +ATOM 17638 C LYS I 221 48.146 58.109 110.124 1.00 27.17 C +ATOM 17639 O LYS I 221 48.470 57.206 109.381 1.00 27.53 O +ATOM 17640 CB LYS I 221 50.350 59.326 110.610 1.00 30.68 C +ATOM 17641 CG LYS I 221 51.270 60.496 110.063 1.00 39.70 C +ATOM 17642 CD LYS I 221 52.800 60.383 110.406 1.00 37.57 C +ATOM 17643 CE LYS I 221 53.611 61.422 109.598 1.00 40.41 C +ATOM 17644 NZ LYS I 221 55.086 61.429 109.882 1.00 42.95 N +ATOM 17645 N LYS I 222 47.126 57.987 110.976 1.00 26.98 N +ATOM 17646 CA LYS I 222 46.261 56.804 110.967 1.00 26.77 C +ATOM 17647 C LYS I 222 44.960 57.002 110.170 1.00 25.37 C +ATOM 17648 O LYS I 222 44.029 56.184 110.257 1.00 24.40 O +ATOM 17649 CB LYS I 222 45.946 56.386 112.398 1.00 30.47 C +ATOM 17650 CG LYS I 222 47.194 56.279 113.292 1.00 32.84 C +ATOM 17651 CD LYS I 222 46.997 55.236 114.363 1.00 43.51 C +ATOM 17652 CE LYS I 222 48.267 55.034 115.202 1.00 48.39 C +ATOM 17653 NZ LYS I 222 47.962 54.311 116.486 1.00 52.18 N +ATOM 17654 N ALA I 223 44.895 58.087 109.393 1.00 24.33 N +ATOM 17655 CA ALA I 223 43.703 58.378 108.566 1.00 22.81 C +ATOM 17656 C ALA I 223 43.521 57.299 107.500 1.00 23.03 C +ATOM 17657 O ALA I 223 44.501 56.758 106.965 1.00 22.74 O +ATOM 17658 CB ALA I 223 43.831 59.750 107.891 1.00 20.26 C +ATOM 17659 N THR I 224 42.270 56.996 107.180 1.00 22.30 N +ATOM 17660 CA THR I 224 41.959 56.074 106.086 1.00 22.39 C +ATOM 17661 C THR I 224 40.637 56.504 105.448 1.00 21.79 C +ATOM 17662 O THR I 224 39.782 57.070 106.116 1.00 21.50 O +ATOM 17663 CB THR I 224 41.817 54.579 106.574 1.00 23.34 C +ATOM 17664 OG1 THR I 224 40.637 54.451 107.366 1.00 24.08 O +ATOM 17665 CG2 THR I 224 43.037 54.078 107.403 1.00 21.15 C +ATOM 17666 N ALA I 225 40.472 56.235 104.156 1.00 21.81 N +ATOM 17667 CA ALA I 225 39.221 56.485 103.450 1.00 21.39 C +ATOM 17668 C ALA I 225 38.044 55.797 104.131 1.00 24.29 C +ATOM 17669 O ALA I 225 36.951 56.382 104.231 1.00 24.24 O +ATOM 17670 CB ALA I 225 39.334 56.016 102.036 1.00 21.36 C +ATOM 17671 N GLU I 226 38.254 54.561 104.602 1.00 25.83 N +ATOM 17672 CA GLU I 226 37.171 53.797 105.223 1.00 27.05 C +ATOM 17673 C GLU I 226 36.697 54.463 106.511 1.00 24.06 C +ATOM 17674 O GLU I 226 35.527 54.442 106.804 1.00 23.47 O +ATOM 17675 CB GLU I 226 37.574 52.347 105.520 1.00 25.06 C +ATOM 17676 CG GLU I 226 37.329 51.389 104.370 1.00 37.20 C +ATOM 17677 CD GLU I 226 37.462 49.902 104.768 1.00 38.38 C +ATOM 17678 OE1 GLU I 226 37.280 49.570 105.983 1.00 50.96 O +ATOM 17679 OE2 GLU I 226 37.750 49.077 103.852 1.00 45.80 O +ATOM 17680 N LYS I 227 37.624 55.021 107.289 1.00 23.34 N +ATOM 17681 CA LYS I 227 37.260 55.795 108.490 1.00 23.97 C +ATOM 17682 C LYS I 227 36.445 57.057 108.145 1.00 23.25 C +ATOM 17683 O LYS I 227 35.519 57.402 108.860 1.00 23.64 O +ATOM 17684 CB LYS I 227 38.517 56.212 109.244 1.00 24.28 C +ATOM 17685 CG LYS I 227 39.146 55.169 110.128 1.00 25.48 C +ATOM 17686 CD LYS I 227 40.502 55.715 110.616 1.00 25.48 C +ATOM 17687 CE LYS I 227 41.085 54.878 111.731 1.00 26.56 C +ATOM 17688 NZ LYS I 227 42.432 55.334 112.094 1.00 26.16 N +ATOM 17689 N GLY I 228 36.802 57.718 107.041 1.00 23.27 N +ATOM 17690 CA GLY I 228 36.071 58.893 106.547 1.00 23.10 C +ATOM 17691 C GLY I 228 34.678 58.559 106.083 1.00 23.49 C +ATOM 17692 O GLY I 228 33.698 59.222 106.434 1.00 23.46 O +ATOM 17693 N GLU I 229 34.579 57.500 105.304 1.00 24.85 N +ATOM 17694 CA GLU I 229 33.292 57.032 104.857 1.00 26.79 C +ATOM 17695 C GLU I 229 32.324 56.750 106.023 1.00 25.52 C +ATOM 17696 O GLU I 229 31.173 57.175 105.993 1.00 24.89 O +ATOM 17697 CB GLU I 229 33.491 55.780 104.011 1.00 27.56 C +ATOM 17698 CG GLU I 229 32.218 55.229 103.412 1.00 30.40 C +ATOM 17699 CD GLU I 229 32.502 54.061 102.475 1.00 36.11 C +ATOM 17700 OE1 GLU I 229 33.249 53.127 102.887 1.00 45.70 O +ATOM 17701 OE2 GLU I 229 31.986 54.098 101.332 1.00 49.19 O +ATOM 17702 N ARG I 230 32.789 56.024 107.041 1.00 25.25 N +ATOM 17703 CA ARG I 230 31.932 55.694 108.209 1.00 26.14 C +ATOM 17704 C ARG I 230 31.577 56.925 109.041 1.00 24.74 C +ATOM 17705 O ARG I 230 30.540 56.974 109.658 1.00 25.30 O +ATOM 17706 CB ARG I 230 32.611 54.667 109.154 1.00 28.29 C +ATOM 17707 CG ARG I 230 32.710 53.240 108.586 1.00 26.90 C +ATOM 17708 CD ARG I 230 32.952 52.198 109.699 1.00 24.79 C +ATOM 17709 NE ARG I 230 34.292 52.336 110.279 1.00 21.71 N +ATOM 17710 CZ ARG I 230 35.391 51.856 109.716 1.00 31.98 C +ATOM 17711 NH1 ARG I 230 35.322 51.173 108.573 1.00 35.30 N +ATOM 17712 NH2 ARG I 230 36.578 52.060 110.300 1.00 35.05 N +ATOM 17713 N TYR I 231 32.459 57.911 109.078 1.00 23.55 N +ATOM 17714 CA TYR I 231 32.156 59.168 109.808 1.00 22.92 C +ATOM 17715 C TYR I 231 31.112 60.030 109.073 1.00 22.35 C +ATOM 17716 O TYR I 231 30.183 60.553 109.701 1.00 24.87 O +ATOM 17717 CB TYR I 231 33.451 59.948 110.084 1.00 23.32 C +ATOM 17718 CG TYR I 231 33.303 61.233 110.904 1.00 24.35 C +ATOM 17719 CD1 TYR I 231 32.491 61.295 112.042 1.00 20.46 C +ATOM 17720 CD2 TYR I 231 33.969 62.384 110.521 1.00 21.37 C +ATOM 17721 CE1 TYR I 231 32.362 62.483 112.758 1.00 23.84 C +ATOM 17722 CE2 TYR I 231 33.846 63.565 111.227 1.00 19.69 C +ATOM 17723 CZ TYR I 231 33.061 63.620 112.344 1.00 21.73 C +ATOM 17724 OH TYR I 231 32.985 64.818 113.026 1.00 22.09 O +ATOM 17725 N VAL I 232 31.233 60.182 107.751 1.00 22.56 N +ATOM 17726 CA VAL I 232 30.342 61.111 107.061 1.00 22.36 C +ATOM 17727 C VAL I 232 28.947 60.551 106.845 1.00 23.37 C +ATOM 17728 O VAL I 232 28.043 61.326 106.659 1.00 22.81 O +ATOM 17729 CB VAL I 232 30.891 61.632 105.725 1.00 23.64 C +ATOM 17730 CG1 VAL I 232 32.131 62.586 105.965 1.00 25.59 C +ATOM 17731 CG2 VAL I 232 31.188 60.497 104.785 1.00 23.15 C +ATOM 17732 N LYS I 233 28.778 59.218 106.906 1.00 23.72 N +ATOM 17733 CA LYS I 233 27.455 58.610 106.725 1.00 26.27 C +ATOM 17734 C LYS I 233 26.366 59.147 107.672 1.00 22.69 C +ATOM 17735 O LYS I 233 25.331 59.594 107.185 1.00 24.14 O +ATOM 17736 CB LYS I 233 27.486 57.065 106.750 1.00 26.83 C +ATOM 17737 CG LYS I 233 26.229 56.492 106.052 1.00 35.36 C +ATOM 17738 CD LYS I 233 26.300 55.005 105.681 1.00 34.94 C +ATOM 17739 CE LYS I 233 25.171 54.648 104.678 1.00 43.62 C +ATOM 17740 NZ LYS I 233 25.349 55.225 103.276 1.00 46.19 N +ATOM 17741 N PRO I 234 26.584 59.103 109.009 1.00 21.64 N +ATOM 17742 CA PRO I 234 25.630 59.714 109.925 1.00 21.88 C +ATOM 17743 C PRO I 234 25.593 61.247 109.846 1.00 20.89 C +ATOM 17744 O PRO I 234 24.556 61.836 110.136 1.00 21.12 O +ATOM 17745 CB PRO I 234 26.110 59.246 111.291 1.00 20.45 C +ATOM 17746 CG PRO I 234 27.573 59.018 111.116 1.00 21.76 C +ATOM 17747 CD PRO I 234 27.714 58.487 109.743 1.00 22.93 C +ATOM 17748 N ILE I 235 26.690 61.886 109.451 1.00 21.35 N +ATOM 17749 CA ILE I 235 26.660 63.345 109.208 1.00 20.75 C +ATOM 17750 C ILE I 235 25.674 63.719 108.048 1.00 20.69 C +ATOM 17751 O ILE I 235 24.804 64.556 108.224 1.00 21.96 O +ATOM 17752 CB ILE I 235 28.064 63.909 108.920 1.00 21.10 C +ATOM 17753 CG1 ILE I 235 28.961 63.748 110.167 1.00 20.64 C +ATOM 17754 CG2 ILE I 235 27.934 65.385 108.469 1.00 19.00 C +ATOM 17755 CD1 ILE I 235 30.411 64.100 109.930 1.00 17.36 C +ATOM 17756 N VAL I 236 25.831 63.085 106.886 1.00 19.82 N +ATOM 17757 CA VAL I 236 24.915 63.263 105.742 1.00 20.22 C +ATOM 17758 C VAL I 236 23.460 62.965 106.132 1.00 21.69 C +ATOM 17759 O VAL I 236 22.542 63.735 105.786 1.00 22.33 O +ATOM 17760 CB VAL I 236 25.350 62.383 104.515 1.00 19.72 C +ATOM 17761 CG1 VAL I 236 24.241 62.232 103.447 1.00 19.29 C +ATOM 17762 CG2 VAL I 236 26.649 62.926 103.866 1.00 18.98 C +ATOM 17763 N GLU I 237 23.256 61.885 106.883 1.00 22.53 N +ATOM 17764 CA GLU I 237 21.936 61.475 107.288 1.00 23.15 C +ATOM 17765 C GLU I 237 21.291 62.517 108.185 1.00 21.85 C +ATOM 17766 O GLU I 237 20.162 62.901 107.935 1.00 21.93 O +ATOM 17767 CB GLU I 237 21.995 60.114 107.995 1.00 26.32 C +ATOM 17768 CG GLU I 237 20.660 59.360 108.063 1.00 31.47 C +ATOM 17769 CD GLU I 237 19.700 59.983 109.058 1.00 38.92 C +ATOM 17770 OE1 GLU I 237 20.139 60.381 110.175 1.00 43.29 O +ATOM 17771 OE2 GLU I 237 18.507 60.087 108.717 1.00 38.53 O +ATOM 17772 N LYS I 238 22.028 62.993 109.191 1.00 21.94 N +ATOM 17773 CA LYS I 238 21.564 64.078 110.078 1.00 23.46 C +ATOM 17774 C LYS I 238 21.261 65.434 109.382 1.00 22.18 C +ATOM 17775 O LYS I 238 20.262 66.092 109.686 1.00 21.85 O +ATOM 17776 CB LYS I 238 22.563 64.289 111.229 1.00 22.61 C +ATOM 17777 CG LYS I 238 22.201 63.570 112.543 1.00 28.83 C +ATOM 17778 CD LYS I 238 23.374 63.685 113.537 1.00 33.53 C +ATOM 17779 CE LYS I 238 23.047 63.304 115.003 1.00 44.37 C +ATOM 17780 NZ LYS I 238 21.582 63.514 115.385 1.00 49.24 N +ATOM 17781 N LEU I 239 22.124 65.833 108.457 1.00 21.99 N +ATOM 17782 CA LEU I 239 21.911 67.055 107.661 1.00 21.08 C +ATOM 17783 C LEU I 239 20.695 66.910 106.730 1.00 20.90 C +ATOM 17784 O LEU I 239 19.879 67.810 106.640 1.00 20.26 O +ATOM 17785 CB LEU I 239 23.167 67.434 106.875 1.00 19.76 C +ATOM 17786 CG LEU I 239 24.357 67.926 107.709 1.00 19.86 C +ATOM 17787 CD1 LEU I 239 25.596 68.133 106.859 1.00 17.05 C +ATOM 17788 CD2 LEU I 239 23.997 69.210 108.481 1.00 19.73 C +ATOM 17789 N ALA I 240 20.577 65.762 106.054 1.00 21.23 N +ATOM 17790 CA ALA I 240 19.389 65.474 105.259 1.00 20.58 C +ATOM 17791 C ALA I 240 18.098 65.652 106.084 1.00 20.41 C +ATOM 17792 O ALA I 240 17.106 66.180 105.606 1.00 22.71 O +ATOM 17793 CB ALA I 240 19.469 64.030 104.669 1.00 19.11 C +ATOM 17794 N GLY I 241 18.116 65.182 107.321 1.00 20.99 N +ATOM 17795 CA GLY I 241 16.989 65.310 108.204 1.00 21.07 C +ATOM 17796 C GLY I 241 16.666 66.738 108.539 1.00 22.25 C +ATOM 17797 O GLY I 241 15.464 67.111 108.600 1.00 22.38 O +ATOM 17798 N LEU I 242 17.720 67.523 108.767 1.00 21.22 N +ATOM 17799 CA LEU I 242 17.590 68.960 109.002 1.00 21.31 C +ATOM 17800 C LEU I 242 16.955 69.653 107.802 1.00 21.61 C +ATOM 17801 O LEU I 242 16.021 70.443 107.954 1.00 20.99 O +ATOM 17802 CB LEU I 242 18.969 69.584 109.305 1.00 21.30 C +ATOM 17803 CG LEU I 242 19.037 71.111 109.480 1.00 23.32 C +ATOM 17804 CD1 LEU I 242 18.229 71.653 110.724 1.00 17.17 C +ATOM 17805 CD2 LEU I 242 20.496 71.484 109.589 1.00 20.57 C +ATOM 17806 N PHE I 243 17.448 69.343 106.609 1.00 22.14 N +ATOM 17807 CA PHE I 243 16.928 69.966 105.379 1.00 23.26 C +ATOM 17808 C PHE I 243 15.428 69.708 105.252 1.00 23.86 C +ATOM 17809 O PHE I 243 14.663 70.616 104.972 1.00 24.97 O +ATOM 17810 CB PHE I 243 17.621 69.420 104.108 1.00 23.92 C +ATOM 17811 CG PHE I 243 19.122 69.654 104.040 1.00 19.88 C +ATOM 17812 CD1 PHE I 243 19.803 70.399 104.997 1.00 25.70 C +ATOM 17813 CD2 PHE I 243 19.842 69.127 102.979 1.00 23.47 C +ATOM 17814 CE1 PHE I 243 21.185 70.602 104.895 1.00 25.49 C +ATOM 17815 CE2 PHE I 243 21.221 69.342 102.864 1.00 23.37 C +ATOM 17816 CZ PHE I 243 21.892 70.055 103.836 1.00 23.40 C +ATOM 17817 N GLU I 244 15.039 68.457 105.447 1.00 23.64 N +ATOM 17818 CA GLU I 244 13.658 68.027 105.419 1.00 24.14 C +ATOM 17819 C GLU I 244 12.806 68.817 106.398 1.00 24.24 C +ATOM 17820 O GLU I 244 11.732 69.313 106.047 1.00 25.23 O +ATOM 17821 CB GLU I 244 13.580 66.527 105.749 1.00 23.54 C +ATOM 17822 CG GLU I 244 13.925 65.638 104.536 1.00 28.78 C +ATOM 17823 CD GLU I 244 14.452 64.202 104.852 1.00 28.25 C +ATOM 17824 OE1 GLU I 244 14.617 63.792 106.029 1.00 28.63 O +ATOM 17825 OE2 GLU I 244 14.732 63.493 103.855 1.00 33.08 O +ATOM 17826 N GLU I 245 13.282 68.920 107.635 1.00 24.64 N +ATOM 17827 CA GLU I 245 12.508 69.576 108.681 1.00 25.40 C +ATOM 17828 C GLU I 245 12.401 71.095 108.441 1.00 26.08 C +ATOM 17829 O GLU I 245 11.377 71.681 108.746 1.00 26.77 O +ATOM 17830 CB GLU I 245 13.128 69.288 110.049 1.00 26.19 C +ATOM 17831 CG GLU I 245 13.012 67.823 110.527 1.00 25.70 C +ATOM 17832 CD GLU I 245 14.023 67.453 111.626 1.00 25.55 C +ATOM 17833 OE1 GLU I 245 14.966 68.238 111.945 1.00 23.26 O +ATOM 17834 OE2 GLU I 245 13.891 66.343 112.150 1.00 33.49 O +HETATM17835 N MSE I 246 13.468 71.713 107.908 1.00 26.18 N +HETATM17836 CA MSE I 246 13.482 73.126 107.517 1.00 25.85 C +HETATM17837 C MSE I 246 12.514 73.384 106.389 1.00 28.56 C +HETATM17838 O MSE I 246 11.839 74.403 106.383 1.00 28.74 O +HETATM17839 CB MSE I 246 14.871 73.558 107.081 1.00 24.81 C +HETATM17840 CG MSE I 246 15.838 73.785 108.208 1.00 23.13 C +HETATM17841 SE MSE I 246 17.679 74.290 107.651 0.75 21.26 SE +HETATM17842 CE MSE I 246 17.341 76.219 107.185 1.00 23.66 C +ATOM 17843 N ALA I 247 12.442 72.443 105.441 1.00 29.90 N +ATOM 17844 CA ALA I 247 11.485 72.511 104.344 1.00 30.64 C +ATOM 17845 C ALA I 247 10.059 72.358 104.844 1.00 30.86 C +ATOM 17846 O ALA I 247 9.182 73.093 104.374 1.00 31.70 O +ATOM 17847 CB ALA I 247 11.810 71.469 103.243 1.00 28.47 C +ATOM 17848 N GLN I 248 9.828 71.467 105.817 1.00 30.37 N +ATOM 17849 CA GLN I 248 8.461 71.040 106.174 1.00 33.31 C +ATOM 17850 C GLN I 248 7.824 71.719 107.405 1.00 33.67 C +ATOM 17851 O GLN I 248 6.617 71.616 107.599 1.00 34.17 O +ATOM 17852 CB GLN I 248 8.433 69.508 106.323 1.00 33.29 C +ATOM 17853 CG GLN I 248 8.731 68.856 104.940 1.00 37.88 C +ATOM 17854 CD GLN I 248 9.038 67.370 104.922 1.00 38.02 C +ATOM 17855 OE1 GLN I 248 9.367 66.741 105.945 1.00 45.70 O +ATOM 17856 NE2 GLN I 248 8.946 66.799 103.727 1.00 36.53 N +ATOM 17857 N HIS I 249 8.623 72.419 108.215 1.00 33.13 N +ATOM 17858 CA HIS I 249 8.149 73.019 109.478 1.00 33.01 C +ATOM 17859 C HIS I 249 8.530 74.470 109.540 1.00 32.28 C +ATOM 17860 O HIS I 249 9.602 74.835 109.091 1.00 32.71 O +ATOM 17861 CB HIS I 249 8.750 72.303 110.707 1.00 32.30 C +ATOM 17862 CG HIS I 249 8.307 70.882 110.864 1.00 34.32 C +ATOM 17863 ND1 HIS I 249 7.055 70.540 111.336 1.00 38.51 N +ATOM 17864 CD2 HIS I 249 8.945 69.717 110.614 1.00 33.73 C +ATOM 17865 CE1 HIS I 249 6.940 69.228 111.366 1.00 39.89 C +ATOM 17866 NE2 HIS I 249 8.074 68.706 110.937 1.00 39.08 N +ATOM 17867 N ASP I 250 7.627 75.297 110.070 1.00 32.04 N +ATOM 17868 CA ASP I 250 7.982 76.649 110.473 1.00 31.38 C +ATOM 17869 C ASP I 250 8.898 76.490 111.678 1.00 28.16 C +ATOM 17870 O ASP I 250 8.913 75.441 112.322 1.00 27.33 O +ATOM 17871 CB ASP I 250 6.742 77.483 110.855 1.00 32.86 C +ATOM 17872 CG ASP I 250 5.826 77.811 109.670 1.00 39.23 C +ATOM 17873 OD1 ASP I 250 6.286 77.919 108.514 1.00 41.46 O +ATOM 17874 OD2 ASP I 250 4.622 77.987 109.923 1.00 47.93 O +ATOM 17875 N LEU I 251 9.662 77.527 111.985 1.00 26.33 N +ATOM 17876 CA LEU I 251 10.608 77.487 113.094 1.00 25.71 C +ATOM 17877 C LEU I 251 9.888 77.148 114.415 1.00 25.90 C +ATOM 17878 O LEU I 251 10.397 76.380 115.263 1.00 24.01 O +ATOM 17879 CB LEU I 251 11.334 78.831 113.219 1.00 23.96 C +ATOM 17880 CG LEU I 251 12.524 78.856 114.154 1.00 25.19 C +ATOM 17881 CD1 LEU I 251 13.586 77.768 113.742 1.00 19.69 C +ATOM 17882 CD2 LEU I 251 13.102 80.291 114.155 1.00 22.86 C +ATOM 17883 N TYR I 252 8.706 77.730 114.577 1.00 26.77 N +ATOM 17884 CA TYR I 252 7.869 77.458 115.707 1.00 28.24 C +ATOM 17885 C TYR I 252 6.489 77.085 115.218 1.00 31.65 C +ATOM 17886 O TYR I 252 6.017 77.589 114.201 1.00 31.32 O +ATOM 17887 CB TYR I 252 7.827 78.678 116.651 1.00 27.04 C +ATOM 17888 CG TYR I 252 9.130 78.963 117.394 1.00 23.80 C +ATOM 17889 CD1 TYR I 252 9.377 78.410 118.651 1.00 26.13 C +ATOM 17890 CD2 TYR I 252 10.105 79.804 116.846 1.00 21.28 C +ATOM 17891 CE1 TYR I 252 10.599 78.674 119.343 1.00 24.07 C +ATOM 17892 CE2 TYR I 252 11.296 80.082 117.529 1.00 23.58 C +ATOM 17893 CZ TYR I 252 11.535 79.527 118.763 1.00 22.71 C +ATOM 17894 OH TYR I 252 12.705 79.824 119.420 1.00 21.25 O +ATOM 17895 N GLU I 253 5.852 76.183 115.957 1.00 36.51 N +ATOM 17896 CA GLU I 253 4.518 75.696 115.642 1.00 40.62 C +ATOM 17897 C GLU I 253 3.696 75.518 116.917 1.00 44.29 C +ATOM 17898 O GLU I 253 4.194 75.644 118.029 1.00 45.63 O +ATOM 17899 CB GLU I 253 4.614 74.380 114.869 1.00 40.68 C +ATOM 17900 CG GLU I 253 5.199 74.565 113.450 1.00 39.59 C +ATOM 17901 CD GLU I 253 5.235 73.281 112.621 1.00 43.53 C +ATOM 17902 OE1 GLU I 253 5.212 72.174 113.222 1.00 35.35 O +ATOM 17903 OE2 GLU I 253 5.271 73.406 111.363 1.00 44.06 O +ATOM 17904 OXT GLU I 253 2.496 75.250 116.865 1.00 46.78 O +TER 17905 GLU I 253 +HETATM17906 N MSE J 1 45.763 67.911 86.486 1.00 39.21 N +HETATM17907 CA MSE J 1 45.973 68.500 87.843 1.00 40.06 C +HETATM17908 C MSE J 1 47.395 69.049 87.980 1.00 37.46 C +HETATM17909 O MSE J 1 48.366 68.391 87.610 1.00 37.85 O +HETATM17910 CB MSE J 1 45.691 67.446 88.926 1.00 40.33 C +HETATM17911 CG MSE J 1 46.170 67.815 90.342 1.00 43.00 C +HETATM17912 SE MSE J 1 45.787 66.453 91.746 0.75 46.07 SE +HETATM17913 CE MSE J 1 43.893 66.002 91.083 1.00 42.50 C +ATOM 17914 N ASN J 2 47.518 70.263 88.500 1.00 33.79 N +ATOM 17915 CA ASN J 2 48.827 70.896 88.639 1.00 31.17 C +ATOM 17916 C ASN J 2 48.986 71.678 89.940 1.00 29.85 C +ATOM 17917 O ASN J 2 48.679 72.864 89.990 1.00 27.69 O +ATOM 17918 CB ASN J 2 49.116 71.795 87.434 1.00 31.42 C +ATOM 17919 CG ASN J 2 50.549 72.229 87.389 1.00 28.61 C +ATOM 17920 OD1 ASN J 2 51.213 72.307 88.416 1.00 33.16 O +ATOM 17921 ND2 ASN J 2 51.029 72.533 86.210 1.00 28.57 N +ATOM 17922 N LYS J 3 49.515 70.987 90.963 1.00 28.99 N +ATOM 17923 CA LYS J 3 49.647 71.510 92.327 1.00 29.83 C +ATOM 17924 C LYS J 3 50.679 72.615 92.438 1.00 28.59 C +ATOM 17925 O LYS J 3 50.672 73.369 93.418 1.00 28.11 O +ATOM 17926 CB LYS J 3 50.002 70.396 93.322 1.00 30.94 C +ATOM 17927 CG LYS J 3 48.909 69.370 93.579 1.00 31.63 C +ATOM 17928 CD LYS J 3 49.257 68.481 94.781 1.00 32.52 C +ATOM 17929 CE LYS J 3 48.226 67.351 94.994 1.00 36.90 C +ATOM 17930 NZ LYS J 3 48.337 66.780 96.379 1.00 33.87 N +ATOM 17931 N GLU J 4 51.541 72.734 91.428 1.00 27.66 N +ATOM 17932 CA GLU J 4 52.558 73.781 91.397 1.00 27.71 C +ATOM 17933 C GLU J 4 51.970 75.193 91.150 1.00 24.04 C +ATOM 17934 O GLU J 4 52.458 76.176 91.721 1.00 25.17 O +ATOM 17935 CB GLU J 4 53.627 73.444 90.338 1.00 27.55 C +ATOM 17936 CG GLU J 4 54.970 74.134 90.565 1.00 32.08 C +ATOM 17937 CD GLU J 4 56.077 73.719 89.581 1.00 32.91 C +ATOM 17938 OE1 GLU J 4 55.854 72.871 88.670 1.00 41.36 O +ATOM 17939 OE2 GLU J 4 57.193 74.254 89.732 1.00 30.77 O +ATOM 17940 N VAL J 5 50.952 75.301 90.303 1.00 21.39 N +ATOM 17941 CA VAL J 5 50.449 76.629 89.864 1.00 21.21 C +ATOM 17942 C VAL J 5 48.929 76.831 90.010 1.00 20.70 C +ATOM 17943 O VAL J 5 48.427 77.916 89.703 1.00 20.68 O +ATOM 17944 CB VAL J 5 50.867 76.970 88.385 1.00 21.86 C +ATOM 17945 CG1 VAL J 5 52.361 76.768 88.176 1.00 20.41 C +ATOM 17946 CG2 VAL J 5 50.110 76.157 87.438 1.00 17.92 C +ATOM 17947 N ASP J 6 48.230 75.824 90.531 1.00 19.51 N +ATOM 17948 CA ASP J 6 46.786 75.879 90.733 1.00 19.70 C +ATOM 17949 C ASP J 6 46.498 75.544 92.195 1.00 19.86 C +ATOM 17950 O ASP J 6 46.475 74.373 92.577 1.00 20.43 O +ATOM 17951 CB ASP J 6 46.108 74.883 89.775 1.00 19.38 C +ATOM 17952 CG ASP J 6 44.600 74.887 89.852 1.00 22.23 C +ATOM 17953 OD1 ASP J 6 43.982 75.821 90.410 1.00 25.89 O +ATOM 17954 OD2 ASP J 6 44.015 73.923 89.312 1.00 26.34 O +ATOM 17955 N LEU J 7 46.233 76.586 92.989 1.00 19.35 N +ATOM 17956 CA LEU J 7 45.960 76.468 94.414 1.00 19.67 C +ATOM 17957 C LEU J 7 44.727 75.644 94.752 1.00 20.85 C +ATOM 17958 O LEU J 7 44.638 75.061 95.854 1.00 22.05 O +ATOM 17959 CB LEU J 7 45.827 77.858 95.061 1.00 18.76 C +ATOM 17960 CG LEU J 7 46.083 77.918 96.572 1.00 18.43 C +ATOM 17961 CD1 LEU J 7 47.587 77.921 96.823 1.00 14.28 C +ATOM 17962 CD2 LEU J 7 45.377 79.145 97.245 1.00 16.90 C +ATOM 17963 N SER J 8 43.764 75.611 93.835 1.00 21.43 N +ATOM 17964 CA SER J 8 42.525 74.840 94.033 1.00 22.00 C +ATOM 17965 C SER J 8 42.774 73.355 94.198 1.00 22.68 C +ATOM 17966 O SER J 8 41.942 72.687 94.773 1.00 23.31 O +ATOM 17967 CB SER J 8 41.534 75.073 92.877 1.00 23.56 C +ATOM 17968 OG SER J 8 41.364 76.482 92.689 1.00 27.75 O +ATOM 17969 N VAL J 9 43.925 72.848 93.729 1.00 22.45 N +ATOM 17970 CA VAL J 9 44.289 71.433 93.922 1.00 22.71 C +ATOM 17971 C VAL J 9 45.569 71.250 94.790 1.00 23.90 C +ATOM 17972 O VAL J 9 45.942 70.124 95.129 1.00 27.38 O +ATOM 17973 CB VAL J 9 44.451 70.679 92.540 1.00 22.54 C +ATOM 17974 CG1 VAL J 9 43.151 70.730 91.748 1.00 19.13 C +ATOM 17975 CG2 VAL J 9 45.621 71.252 91.735 1.00 19.17 C +ATOM 17976 N SER J 10 46.211 72.353 95.165 1.00 22.74 N +ATOM 17977 CA SER J 10 47.554 72.333 95.732 1.00 21.91 C +ATOM 17978 C SER J 10 47.563 72.174 97.262 1.00 22.82 C +ATOM 17979 O SER J 10 46.553 72.282 97.902 1.00 21.91 O +ATOM 17980 CB SER J 10 48.269 73.622 95.371 1.00 23.70 C +ATOM 17981 OG SER J 10 49.634 73.529 95.742 1.00 27.94 O +ATOM 17982 N CYS J 11 48.741 71.943 97.826 1.00 22.93 N +ATOM 17983 CA CYS J 11 48.906 71.774 99.268 1.00 23.11 C +ATOM 17984 C CYS J 11 50.217 72.421 99.685 1.00 23.04 C +ATOM 17985 O CYS J 11 51.070 72.627 98.842 1.00 23.88 O +ATOM 17986 CB CYS J 11 48.885 70.281 99.618 1.00 24.20 C +ATOM 17987 SG CYS J 11 50.220 69.345 98.858 1.00 24.37 S +ATOM 17988 N LEU J 12 50.371 72.744 100.974 1.00 23.84 N +ATOM 17989 CA LEU J 12 51.524 73.512 101.481 1.00 23.98 C +ATOM 17990 C LEU J 12 52.851 72.802 101.179 1.00 25.39 C +ATOM 17991 O LEU J 12 53.823 73.443 100.813 1.00 25.86 O +ATOM 17992 CB LEU J 12 51.407 73.781 102.998 1.00 26.04 C +ATOM 17993 CG LEU J 12 52.566 74.560 103.663 1.00 24.97 C +ATOM 17994 CD1 LEU J 12 52.621 76.038 103.152 1.00 22.65 C +ATOM 17995 CD2 LEU J 12 52.541 74.507 105.197 1.00 20.87 C +ATOM 17996 N GLY J 13 52.871 71.482 101.316 1.00 26.16 N +ATOM 17997 CA GLY J 13 54.064 70.706 100.988 1.00 27.03 C +ATOM 17998 C GLY J 13 54.623 70.921 99.586 1.00 28.20 C +ATOM 17999 O GLY J 13 55.838 70.922 99.408 1.00 28.34 O +ATOM 18000 N LYS J 14 53.740 71.120 98.595 1.00 28.94 N +ATOM 18001 CA LYS J 14 54.165 71.360 97.192 1.00 30.36 C +ATOM 18002 C LYS J 14 54.672 72.778 96.976 1.00 31.12 C +ATOM 18003 O LYS J 14 55.572 73.002 96.149 1.00 35.39 O +ATOM 18004 CB LYS J 14 53.030 71.069 96.183 1.00 30.53 C +ATOM 18005 CG LYS J 14 52.544 69.600 96.168 1.00 41.89 C +ATOM 18006 CD LYS J 14 53.609 68.594 95.637 1.00 46.44 C +ATOM 18007 CE LYS J 14 54.357 67.857 96.762 1.00 49.81 C +ATOM 18008 NZ LYS J 14 55.685 67.315 96.333 1.00 50.17 N +ATOM 18009 N VAL J 15 54.112 73.740 97.713 1.00 29.46 N +ATOM 18010 CA VAL J 15 54.378 75.157 97.444 1.00 28.41 C +ATOM 18011 C VAL J 15 55.471 75.775 98.328 1.00 29.17 C +ATOM 18012 O VAL J 15 56.130 76.725 97.919 1.00 27.04 O +ATOM 18013 CB VAL J 15 53.074 76.009 97.538 1.00 27.52 C +ATOM 18014 CG1 VAL J 15 51.937 75.334 96.764 1.00 29.11 C +ATOM 18015 CG2 VAL J 15 52.651 76.244 98.985 1.00 27.03 C +ATOM 18016 N LYS J 16 55.681 75.222 99.519 1.00 30.95 N +ATOM 18017 CA LYS J 16 56.407 75.959 100.536 1.00 34.95 C +ATOM 18018 C LYS J 16 57.873 76.143 100.192 1.00 35.00 C +ATOM 18019 O LYS J 16 58.458 77.128 100.638 1.00 35.20 O +ATOM 18020 CB LYS J 16 56.232 75.370 101.947 1.00 35.83 C +ATOM 18021 CG LYS J 16 56.874 74.018 102.166 1.00 38.51 C +ATOM 18022 CD LYS J 16 57.108 73.738 103.653 1.00 39.99 C +ATOM 18023 CE LYS J 16 57.800 72.393 103.827 1.00 49.50 C +ATOM 18024 NZ LYS J 16 58.802 72.444 104.934 1.00 54.41 N +ATOM 18025 N GLU J 17 58.466 75.244 99.408 1.00 35.89 N +ATOM 18026 CA GLU J 17 59.890 75.422 99.079 1.00 39.84 C +ATOM 18027 C GLU J 17 60.147 76.040 97.693 1.00 38.55 C +ATOM 18028 O GLU J 17 61.272 76.020 97.228 1.00 39.59 O +ATOM 18029 CB GLU J 17 60.680 74.104 99.283 1.00 41.98 C +ATOM 18030 CG GLU J 17 60.851 73.646 100.788 1.00 48.30 C +ATOM 18031 CD GLU J 17 61.431 74.736 101.755 1.00 56.42 C +ATOM 18032 OE1 GLU J 17 62.263 75.585 101.335 1.00 61.55 O +ATOM 18033 OE2 GLU J 17 61.053 74.735 102.953 1.00 60.62 O +ATOM 18034 N LEU J 18 59.117 76.595 97.047 1.00 35.51 N +ATOM 18035 CA LEU J 18 59.254 77.177 95.703 1.00 32.83 C +ATOM 18036 C LEU J 18 59.092 78.681 95.732 1.00 31.54 C +ATOM 18037 O LEU J 18 58.357 79.226 96.539 1.00 32.15 O +ATOM 18038 CB LEU J 18 58.233 76.563 94.727 1.00 32.39 C +ATOM 18039 CG LEU J 18 58.229 75.044 94.597 1.00 29.61 C +ATOM 18040 CD1 LEU J 18 57.154 74.610 93.675 1.00 24.27 C +ATOM 18041 CD2 LEU J 18 59.596 74.568 94.134 1.00 29.74 C +ATOM 18042 N LYS J 19 59.809 79.349 94.850 1.00 30.41 N +ATOM 18043 CA LYS J 19 59.669 80.782 94.662 1.00 29.75 C +ATOM 18044 C LYS J 19 58.569 81.073 93.639 1.00 27.02 C +ATOM 18045 O LYS J 19 58.585 80.535 92.538 1.00 24.18 O +ATOM 18046 CB LYS J 19 60.981 81.410 94.179 1.00 29.71 C +ATOM 18047 CG LYS J 19 60.822 82.875 93.782 1.00 37.77 C +ATOM 18048 CD LYS J 19 62.100 83.457 93.267 1.00 47.17 C +ATOM 18049 CE LYS J 19 61.934 84.921 92.893 1.00 53.21 C +ATOM 18050 NZ LYS J 19 62.745 85.248 91.686 1.00 53.46 N +ATOM 18051 N TYR J 20 57.668 81.979 94.008 1.00 25.26 N +ATOM 18052 CA TYR J 20 56.565 82.418 93.159 1.00 24.15 C +ATOM 18053 C TYR J 20 56.817 83.853 92.820 1.00 23.77 C +ATOM 18054 O TYR J 20 57.148 84.652 93.682 1.00 25.70 O +ATOM 18055 CB TYR J 20 55.217 82.189 93.877 1.00 20.85 C +ATOM 18056 CG TYR J 20 54.862 80.706 93.921 1.00 21.69 C +ATOM 18057 CD1 TYR J 20 55.273 79.871 94.958 1.00 21.38 C +ATOM 18058 CD2 TYR J 20 54.166 80.133 92.878 1.00 16.92 C +ATOM 18059 CE1 TYR J 20 54.961 78.486 94.946 1.00 21.38 C +ATOM 18060 CE2 TYR J 20 53.880 78.802 92.846 1.00 20.58 C +ATOM 18061 CZ TYR J 20 54.261 77.976 93.885 1.00 22.32 C +ATOM 18062 OH TYR J 20 53.884 76.659 93.773 1.00 22.43 O +ATOM 18063 N ASP J 21 56.672 84.179 91.544 1.00 24.72 N +ATOM 18064 CA ASP J 21 57.021 85.484 91.024 1.00 25.81 C +ATOM 18065 C ASP J 21 55.821 86.407 90.909 1.00 25.99 C +ATOM 18066 O ASP J 21 55.921 87.595 91.239 1.00 27.50 O +ATOM 18067 CB ASP J 21 57.626 85.311 89.632 1.00 27.50 C +ATOM 18068 CG ASP J 21 58.953 84.543 89.646 1.00 29.78 C +ATOM 18069 OD1 ASP J 21 59.919 85.044 90.245 1.00 34.80 O +ATOM 18070 OD2 ASP J 21 59.020 83.455 89.051 1.00 31.86 O +ATOM 18071 N VAL J 22 54.709 85.872 90.389 1.00 24.44 N +ATOM 18072 CA VAL J 22 53.470 86.638 90.182 1.00 22.95 C +ATOM 18073 C VAL J 22 52.282 85.851 90.721 1.00 21.56 C +ATOM 18074 O VAL J 22 52.303 84.640 90.668 1.00 20.22 O +ATOM 18075 CB VAL J 22 53.247 86.963 88.676 1.00 23.68 C +ATOM 18076 CG1 VAL J 22 52.011 87.846 88.497 1.00 21.36 C +ATOM 18077 CG2 VAL J 22 54.481 87.628 88.105 1.00 23.70 C +ATOM 18078 N ILE J 23 51.277 86.542 91.289 1.00 19.56 N +ATOM 18079 CA ILE J 23 50.047 85.893 91.753 1.00 18.33 C +ATOM 18080 C ILE J 23 48.929 86.303 90.779 1.00 18.08 C +ATOM 18081 O ILE J 23 48.854 87.457 90.382 1.00 18.08 O +ATOM 18082 CB ILE J 23 49.652 86.318 93.219 1.00 19.24 C +ATOM 18083 CG1 ILE J 23 50.787 86.054 94.236 1.00 18.94 C +ATOM 18084 CG2 ILE J 23 48.244 85.774 93.629 1.00 12.42 C +ATOM 18085 CD1 ILE J 23 51.373 84.698 94.247 1.00 18.57 C +ATOM 18086 N ILE J 24 48.110 85.329 90.377 1.00 17.96 N +ATOM 18087 CA ILE J 24 47.000 85.521 89.445 1.00 16.77 C +ATOM 18088 C ILE J 24 45.721 85.203 90.175 1.00 16.88 C +ATOM 18089 O ILE J 24 45.578 84.100 90.721 1.00 17.56 O +ATOM 18090 CB ILE J 24 47.030 84.551 88.234 1.00 15.90 C +ATOM 18091 CG1 ILE J 24 48.415 84.461 87.570 1.00 17.47 C +ATOM 18092 CG2 ILE J 24 45.994 84.974 87.237 1.00 16.23 C +ATOM 18093 CD1 ILE J 24 48.956 85.775 87.119 1.00 18.31 C +ATOM 18094 N LEU J 25 44.793 86.150 90.158 1.00 16.90 N +ATOM 18095 CA LEU J 25 43.530 86.024 90.838 1.00 17.64 C +ATOM 18096 C LEU J 25 42.378 86.006 89.825 1.00 17.96 C +ATOM 18097 O LEU J 25 42.017 87.059 89.303 1.00 19.03 O +ATOM 18098 CB LEU J 25 43.372 87.205 91.802 1.00 16.98 C +ATOM 18099 CG LEU J 25 42.090 87.232 92.614 1.00 16.13 C +ATOM 18100 CD1 LEU J 25 41.960 85.982 93.509 1.00 14.59 C +ATOM 18101 CD2 LEU J 25 42.026 88.545 93.382 1.00 15.21 C +ATOM 18102 N PRO J 26 41.825 84.815 89.529 1.00 18.66 N +ATOM 18103 CA PRO J 26 40.664 84.751 88.698 1.00 18.37 C +ATOM 18104 C PRO J 26 39.478 85.378 89.426 1.00 18.78 C +ATOM 18105 O PRO J 26 39.247 85.127 90.617 1.00 18.58 O +ATOM 18106 CB PRO J 26 40.465 83.234 88.466 1.00 16.51 C +ATOM 18107 CG PRO J 26 41.706 82.604 88.860 1.00 16.18 C +ATOM 18108 CD PRO J 26 42.237 83.453 89.951 1.00 20.54 C +ATOM 18109 N TRP J 27 38.717 86.186 88.708 1.00 18.83 N +ATOM 18110 CA TRP J 27 37.574 86.848 89.323 1.00 17.45 C +ATOM 18111 C TRP J 27 36.362 86.740 88.415 1.00 16.55 C +ATOM 18112 O TRP J 27 36.313 87.314 87.334 1.00 17.30 O +ATOM 18113 CB TRP J 27 37.912 88.302 89.722 1.00 14.87 C +ATOM 18114 CG TRP J 27 36.986 88.847 90.787 1.00 17.95 C +ATOM 18115 CD1 TRP J 27 35.639 88.767 90.791 1.00 13.80 C +ATOM 18116 CD2 TRP J 27 37.344 89.574 91.971 1.00 15.75 C +ATOM 18117 NE1 TRP J 27 35.124 89.373 91.905 1.00 17.63 N +ATOM 18118 CE2 TRP J 27 36.147 89.893 92.640 1.00 17.77 C +ATOM 18119 CE3 TRP J 27 38.552 89.981 92.527 1.00 16.07 C +ATOM 18120 CZ2 TRP J 27 36.124 90.568 93.864 1.00 18.47 C +ATOM 18121 CZ3 TRP J 27 38.531 90.652 93.725 1.00 17.19 C +ATOM 18122 CH2 TRP J 27 37.329 90.948 94.379 1.00 18.36 C +ATOM 18123 N GLY J 28 35.366 86.005 88.876 1.00 15.99 N +ATOM 18124 CA GLY J 28 34.193 85.749 88.074 1.00 16.67 C +ATOM 18125 C GLY J 28 32.915 86.319 88.669 1.00 16.97 C +ATOM 18126 O GLY J 28 32.820 87.508 88.973 1.00 16.27 O +ATOM 18127 N ALA J 29 31.937 85.430 88.804 1.00 17.49 N +ATOM 18128 CA ALA J 29 30.560 85.780 89.023 1.00 16.93 C +ATOM 18129 C ALA J 29 29.801 84.467 89.171 1.00 17.84 C +ATOM 18130 O ALA J 29 30.264 83.417 88.688 1.00 18.52 O +ATOM 18131 CB ALA J 29 30.023 86.579 87.839 1.00 13.53 C +ATOM 18132 N THR J 30 28.671 84.522 89.879 1.00 18.62 N +ATOM 18133 CA THR J 30 27.714 83.435 89.957 1.00 18.61 C +ATOM 18134 C THR J 30 26.450 83.944 89.234 1.00 19.88 C +ATOM 18135 O THR J 30 25.696 84.730 89.800 1.00 19.31 O +ATOM 18136 CB THR J 30 27.379 83.046 91.433 1.00 19.56 C +ATOM 18137 OG1 THR J 30 28.568 82.717 92.133 1.00 19.65 O +ATOM 18138 CG2 THR J 30 26.444 81.850 91.495 1.00 13.63 C +ATOM 18139 N GLU J 31 26.237 83.482 87.995 1.00 20.54 N +ATOM 18140 CA GLU J 31 25.363 84.167 87.020 1.00 20.75 C +ATOM 18141 C GLU J 31 24.773 83.199 85.986 1.00 21.08 C +ATOM 18142 O GLU J 31 25.499 82.442 85.346 1.00 21.27 O +ATOM 18143 CB GLU J 31 26.216 85.186 86.286 1.00 21.17 C +ATOM 18144 CG GLU J 31 25.492 86.164 85.422 1.00 21.04 C +ATOM 18145 CD GLU J 31 26.439 87.000 84.555 1.00 23.61 C +ATOM 18146 OE1 GLU J 31 27.573 86.538 84.298 1.00 22.89 O +ATOM 18147 OE2 GLU J 31 26.031 88.092 84.094 1.00 27.06 O +ATOM 18148 N PRO J 32 23.443 83.198 85.816 1.00 22.41 N +ATOM 18149 CA PRO J 32 22.917 82.401 84.707 1.00 22.36 C +ATOM 18150 C PRO J 32 23.555 82.792 83.355 1.00 21.33 C +ATOM 18151 O PRO J 32 23.720 83.980 83.083 1.00 20.64 O +ATOM 18152 CB PRO J 32 21.431 82.760 84.679 1.00 23.57 C +ATOM 18153 CG PRO J 32 21.128 83.415 85.943 1.00 23.94 C +ATOM 18154 CD PRO J 32 22.390 83.872 86.586 1.00 20.09 C +ATOM 18155 N HIS J 33 23.885 81.782 82.536 1.00 20.90 N +ATOM 18156 CA HIS J 33 24.548 81.944 81.236 1.00 20.03 C +ATOM 18157 C HIS J 33 23.729 81.256 80.133 1.00 20.53 C +ATOM 18158 O HIS J 33 23.971 80.085 79.798 1.00 18.22 O +ATOM 18159 CB HIS J 33 25.970 81.360 81.312 1.00 18.41 C +ATOM 18160 CG HIS J 33 27.005 82.336 81.767 1.00 18.01 C +ATOM 18161 ND1 HIS J 33 27.157 82.722 83.088 1.00 18.70 N +ATOM 18162 CD2 HIS J 33 27.972 82.986 81.073 1.00 20.78 C +ATOM 18163 CE1 HIS J 33 28.143 83.595 83.175 1.00 20.20 C +ATOM 18164 NE2 HIS J 33 28.660 83.771 81.969 1.00 18.22 N +ATOM 18165 N ASN J 34 22.726 81.976 79.597 1.00 21.37 N +ATOM 18166 CA ASN J 34 21.731 81.339 78.709 1.00 22.41 C +ATOM 18167 C ASN J 34 21.216 80.083 79.468 1.00 23.52 C +ATOM 18168 O ASN J 34 21.256 80.031 80.702 1.00 23.68 O +ATOM 18169 CB ASN J 34 22.373 81.011 77.345 1.00 20.71 C +ATOM 18170 CG ASN J 34 21.367 80.747 76.230 1.00 19.95 C +ATOM 18171 OD1 ASN J 34 20.376 80.023 76.388 1.00 20.60 O +ATOM 18172 ND2 ASN J 34 21.656 81.286 75.069 1.00 19.67 N +ATOM 18173 N LEU J 35 20.764 79.068 78.743 1.00 23.99 N +ATOM 18174 CA LEU J 35 20.214 77.889 79.370 1.00 23.29 C +ATOM 18175 C LEU J 35 21.228 76.751 79.539 1.00 22.19 C +ATOM 18176 O LEU J 35 20.993 75.853 80.347 1.00 24.12 O +ATOM 18177 CB LEU J 35 18.992 77.397 78.572 1.00 22.87 C +ATOM 18178 CG LEU J 35 17.813 78.353 78.487 1.00 24.51 C +ATOM 18179 CD1 LEU J 35 16.869 77.918 77.358 1.00 23.13 C +ATOM 18180 CD2 LEU J 35 17.092 78.390 79.804 1.00 23.38 C +ATOM 18181 N HIS J 36 22.345 76.816 78.809 1.00 22.18 N +ATOM 18182 CA HIS J 36 23.292 75.687 78.634 1.00 21.75 C +ATOM 18183 C HIS J 36 24.642 75.816 79.353 1.00 22.37 C +ATOM 18184 O HIS J 36 25.319 74.814 79.579 1.00 23.08 O +ATOM 18185 CB HIS J 36 23.569 75.463 77.125 1.00 20.28 C +ATOM 18186 CG HIS J 36 24.274 76.619 76.472 1.00 21.32 C +ATOM 18187 ND1 HIS J 36 23.813 77.915 76.556 1.00 18.82 N +ATOM 18188 CD2 HIS J 36 25.413 76.679 75.744 1.00 18.75 C +ATOM 18189 CE1 HIS J 36 24.645 78.725 75.929 1.00 18.47 C +ATOM 18190 NE2 HIS J 36 25.618 77.998 75.413 1.00 18.67 N +ATOM 18191 N LEU J 37 25.083 77.031 79.679 1.00 21.45 N +ATOM 18192 CA LEU J 37 26.400 77.199 80.300 1.00 20.27 C +ATOM 18193 C LEU J 37 26.312 77.238 81.837 1.00 19.93 C +ATOM 18194 O LEU J 37 25.286 77.645 82.435 1.00 20.24 O +ATOM 18195 CB LEU J 37 27.105 78.458 79.780 1.00 19.31 C +ATOM 18196 CG LEU J 37 27.719 78.406 78.376 1.00 17.83 C +ATOM 18197 CD1 LEU J 37 28.007 79.810 77.876 1.00 17.34 C +ATOM 18198 CD2 LEU J 37 28.982 77.526 78.386 1.00 18.59 C +ATOM 18199 N PRO J 38 27.384 76.823 82.495 1.00 21.18 N +ATOM 18200 CA PRO J 38 27.395 76.844 83.967 1.00 20.94 C +ATOM 18201 C PRO J 38 27.201 78.215 84.619 1.00 19.77 C +ATOM 18202 O PRO J 38 27.663 79.238 84.082 1.00 18.95 O +ATOM 18203 CB PRO J 38 28.786 76.317 84.309 1.00 22.33 C +ATOM 18204 CG PRO J 38 29.250 75.601 83.097 1.00 21.05 C +ATOM 18205 CD PRO J 38 28.627 76.266 81.937 1.00 20.42 C +ATOM 18206 N TYR J 39 26.499 78.231 85.758 1.00 19.28 N +ATOM 18207 CA TYR J 39 26.474 79.426 86.640 1.00 18.96 C +ATOM 18208 C TYR J 39 27.881 79.954 86.941 1.00 18.15 C +ATOM 18209 O TYR J 39 28.065 81.141 87.090 1.00 18.61 O +ATOM 18210 CB TYR J 39 25.762 79.100 87.950 1.00 18.69 C +ATOM 18211 CG TYR J 39 24.256 79.186 87.877 1.00 17.15 C +ATOM 18212 CD1 TYR J 39 23.468 78.109 87.466 1.00 20.66 C +ATOM 18213 CD2 TYR J 39 23.623 80.315 88.275 1.00 17.98 C +ATOM 18214 CE1 TYR J 39 22.036 78.217 87.424 1.00 18.67 C +ATOM 18215 CE2 TYR J 39 22.237 80.425 88.240 1.00 21.60 C +ATOM 18216 CZ TYR J 39 21.446 79.390 87.816 1.00 19.16 C +ATOM 18217 OH TYR J 39 20.041 79.598 87.814 1.00 22.58 O +ATOM 18218 N LEU J 40 28.876 79.059 87.017 1.00 18.49 N +ATOM 18219 CA LEU J 40 30.260 79.468 87.305 1.00 17.65 C +ATOM 18220 C LEU J 40 31.216 79.717 86.130 1.00 17.56 C +ATOM 18221 O LEU J 40 32.413 79.811 86.333 1.00 18.50 O +ATOM 18222 CB LEU J 40 30.870 78.477 88.305 1.00 17.52 C +ATOM 18223 CG LEU J 40 30.239 78.529 89.690 1.00 18.35 C +ATOM 18224 CD1 LEU J 40 30.809 77.429 90.543 1.00 18.62 C +ATOM 18225 CD2 LEU J 40 30.445 79.888 90.309 1.00 17.59 C +ATOM 18226 N THR J 41 30.688 79.862 84.927 1.00 18.83 N +ATOM 18227 CA THR J 41 31.469 80.103 83.686 1.00 18.33 C +ATOM 18228 C THR J 41 32.524 81.186 83.880 1.00 18.87 C +ATOM 18229 O THR J 41 33.699 81.011 83.527 1.00 18.35 O +ATOM 18230 CB THR J 41 30.487 80.463 82.467 1.00 18.73 C +ATOM 18231 OG1 THR J 41 29.596 79.372 82.253 1.00 19.17 O +ATOM 18232 CG2 THR J 41 31.214 80.785 81.138 1.00 14.61 C +ATOM 18233 N ASP J 42 32.141 82.297 84.505 1.00 19.47 N +ATOM 18234 CA ASP J 42 33.071 83.404 84.667 1.00 17.66 C +ATOM 18235 C ASP J 42 34.212 83.141 85.634 1.00 18.54 C +ATOM 18236 O ASP J 42 35.203 83.881 85.644 1.00 17.54 O +ATOM 18237 CB ASP J 42 32.331 84.675 85.074 1.00 20.70 C +ATOM 18238 CG ASP J 42 31.365 85.153 84.013 1.00 19.24 C +ATOM 18239 OD1 ASP J 42 31.387 84.608 82.877 1.00 19.39 O +ATOM 18240 OD2 ASP J 42 30.607 86.092 84.322 1.00 23.78 O +ATOM 18241 N CYS J 43 34.061 82.113 86.473 1.00 18.93 N +ATOM 18242 CA CYS J 43 35.157 81.668 87.319 1.00 19.76 C +ATOM 18243 C CYS J 43 35.976 80.637 86.570 1.00 19.21 C +ATOM 18244 O CYS J 43 37.196 80.700 86.559 1.00 19.21 O +ATOM 18245 CB CYS J 43 34.645 81.051 88.612 1.00 19.11 C +ATOM 18246 SG CYS J 43 33.873 82.218 89.708 1.00 23.27 S +ATOM 18247 N ILE J 44 35.297 79.667 85.977 1.00 18.82 N +ATOM 18248 CA ILE J 44 35.969 78.530 85.338 1.00 18.77 C +ATOM 18249 C ILE J 44 36.894 78.988 84.237 1.00 19.53 C +ATOM 18250 O ILE J 44 38.059 78.583 84.174 1.00 20.60 O +ATOM 18251 CB ILE J 44 34.966 77.523 84.785 1.00 19.26 C +ATOM 18252 CG1 ILE J 44 34.165 76.886 85.936 1.00 21.34 C +ATOM 18253 CG2 ILE J 44 35.675 76.376 83.984 1.00 18.92 C +ATOM 18254 CD1 ILE J 44 32.890 76.209 85.503 1.00 16.20 C +ATOM 18255 N LEU J 45 36.401 79.849 83.356 1.00 19.38 N +ATOM 18256 CA LEU J 45 37.183 80.153 82.158 1.00 19.23 C +ATOM 18257 C LEU J 45 38.495 80.868 82.436 1.00 18.35 C +ATOM 18258 O LEU J 45 39.520 80.428 81.941 1.00 18.88 O +ATOM 18259 CB LEU J 45 36.352 80.886 81.109 1.00 20.07 C +ATOM 18260 CG LEU J 45 35.143 80.115 80.561 1.00 22.30 C +ATOM 18261 CD1 LEU J 45 34.458 80.979 79.462 1.00 16.91 C +ATOM 18262 CD2 LEU J 45 35.548 78.695 80.087 1.00 16.37 C +ATOM 18263 N PRO J 46 38.482 81.979 83.201 1.00 18.71 N +ATOM 18264 CA PRO J 46 39.777 82.593 83.490 1.00 18.33 C +ATOM 18265 C PRO J 46 40.672 81.733 84.353 1.00 18.59 C +ATOM 18266 O PRO J 46 41.879 81.896 84.282 1.00 20.83 O +ATOM 18267 CB PRO J 46 39.426 83.892 84.224 1.00 20.20 C +ATOM 18268 CG PRO J 46 38.016 83.696 84.742 1.00 18.46 C +ATOM 18269 CD PRO J 46 37.361 82.771 83.741 1.00 18.86 C +ATOM 18270 N HIS J 47 40.101 80.839 85.155 1.00 19.33 N +ATOM 18271 CA HIS J 47 40.920 79.930 85.938 1.00 21.18 C +ATOM 18272 C HIS J 47 41.751 79.004 85.038 1.00 19.74 C +ATOM 18273 O HIS J 47 42.969 78.876 85.202 1.00 18.89 O +ATOM 18274 CB HIS J 47 40.063 79.101 86.912 1.00 21.63 C +ATOM 18275 CG HIS J 47 40.825 78.008 87.595 1.00 20.29 C +ATOM 18276 ND1 HIS J 47 40.996 76.758 87.036 1.00 27.78 N +ATOM 18277 CD2 HIS J 47 41.513 77.995 88.759 1.00 21.35 C +ATOM 18278 CE1 HIS J 47 41.739 76.018 87.841 1.00 24.08 C +ATOM 18279 NE2 HIS J 47 42.062 76.747 88.894 1.00 23.41 N +ATOM 18280 N ASP J 48 41.064 78.373 84.091 1.00 21.08 N +ATOM 18281 CA ASP J 48 41.684 77.440 83.132 1.00 21.20 C +ATOM 18282 C ASP J 48 42.651 78.136 82.191 1.00 20.55 C +ATOM 18283 O ASP J 48 43.747 77.620 81.953 1.00 21.54 O +ATOM 18284 CB ASP J 48 40.595 76.692 82.364 1.00 23.30 C +ATOM 18285 CG ASP J 48 39.787 75.754 83.263 1.00 26.69 C +ATOM 18286 OD1 ASP J 48 40.097 75.661 84.490 1.00 30.15 O +ATOM 18287 OD2 ASP J 48 38.833 75.125 82.737 1.00 28.37 O +ATOM 18288 N ILE J 49 42.281 79.331 81.714 1.00 19.75 N +ATOM 18289 CA ILE J 49 43.191 80.162 80.948 1.00 18.48 C +ATOM 18290 C ILE J 49 44.432 80.534 81.749 1.00 19.75 C +ATOM 18291 O ILE J 49 45.572 80.354 81.274 1.00 20.76 O +ATOM 18292 CB ILE J 49 42.519 81.436 80.418 1.00 18.53 C +ATOM 18293 CG1 ILE J 49 41.566 81.088 79.269 1.00 19.46 C +ATOM 18294 CG2 ILE J 49 43.564 82.430 79.892 1.00 18.75 C +ATOM 18295 CD1 ILE J 49 40.520 82.133 78.998 1.00 19.54 C +ATOM 18296 N ALA J 50 44.227 81.031 82.969 1.00 19.52 N +ATOM 18297 CA ALA J 50 45.357 81.445 83.805 1.00 19.44 C +ATOM 18298 C ALA J 50 46.286 80.270 84.080 1.00 18.83 C +ATOM 18299 O ALA J 50 47.479 80.418 84.007 1.00 20.19 O +ATOM 18300 CB ALA J 50 44.856 82.098 85.123 1.00 15.46 C +ATOM 18301 N VAL J 51 45.753 79.099 84.395 1.00 19.21 N +ATOM 18302 CA VAL J 51 46.616 77.951 84.703 1.00 20.67 C +ATOM 18303 C VAL J 51 47.471 77.556 83.498 1.00 20.92 C +ATOM 18304 O VAL J 51 48.656 77.327 83.631 1.00 21.24 O +ATOM 18305 CB VAL J 51 45.803 76.741 85.213 1.00 21.48 C +ATOM 18306 CG1 VAL J 51 46.629 75.430 85.205 1.00 17.93 C +ATOM 18307 CG2 VAL J 51 45.278 77.003 86.571 1.00 17.99 C +ATOM 18308 N GLU J 52 46.838 77.492 82.331 1.00 21.97 N +ATOM 18309 CA GLU J 52 47.504 77.205 81.044 1.00 23.77 C +ATOM 18310 C GLU J 52 48.602 78.194 80.757 1.00 21.60 C +ATOM 18311 O GLU J 52 49.695 77.789 80.362 1.00 23.04 O +ATOM 18312 CB GLU J 52 46.486 77.217 79.903 1.00 24.60 C +ATOM 18313 CG GLU J 52 46.862 76.425 78.670 1.00 29.91 C +ATOM 18314 CD GLU J 52 45.661 75.758 78.019 1.00 34.63 C +ATOM 18315 OE1 GLU J 52 44.987 76.397 77.178 1.00 39.71 O +ATOM 18316 OE2 GLU J 52 45.400 74.575 78.359 1.00 43.14 O +ATOM 18317 N ALA J 53 48.339 79.478 81.004 1.00 20.97 N +ATOM 18318 CA ALA J 53 49.354 80.514 80.803 1.00 19.49 C +ATOM 18319 C ALA J 53 50.492 80.419 81.835 1.00 20.44 C +ATOM 18320 O ALA J 53 51.664 80.669 81.517 1.00 20.84 O +ATOM 18321 CB ALA J 53 48.702 81.949 80.798 1.00 18.93 C +ATOM 18322 N ALA J 54 50.167 80.052 83.072 1.00 20.61 N +ATOM 18323 CA ALA J 54 51.223 79.898 84.105 1.00 21.35 C +ATOM 18324 C ALA J 54 52.096 78.679 83.781 1.00 20.88 C +ATOM 18325 O ALA J 54 53.304 78.693 83.970 1.00 21.87 O +ATOM 18326 CB ALA J 54 50.609 79.806 85.525 1.00 17.72 C +ATOM 18327 N GLU J 55 51.463 77.627 83.283 1.00 22.74 N +ATOM 18328 CA GLU J 55 52.183 76.443 82.815 1.00 24.13 C +ATOM 18329 C GLU J 55 53.168 76.736 81.656 1.00 23.98 C +ATOM 18330 O GLU J 55 54.302 76.191 81.645 1.00 23.84 O +ATOM 18331 CB GLU J 55 51.190 75.355 82.422 1.00 22.25 C +ATOM 18332 CG GLU J 55 50.615 74.633 83.583 1.00 25.60 C +ATOM 18333 CD GLU J 55 49.502 73.653 83.221 1.00 27.30 C +ATOM 18334 OE1 GLU J 55 48.936 73.749 82.124 1.00 32.60 O +ATOM 18335 OE2 GLU J 55 49.180 72.786 84.060 1.00 33.75 O +ATOM 18336 N LEU J 56 52.747 77.603 80.723 1.00 23.84 N +ATOM 18337 CA LEU J 56 53.586 78.057 79.606 1.00 23.18 C +ATOM 18338 C LEU J 56 54.690 78.950 80.073 1.00 24.80 C +ATOM 18339 O LEU J 56 55.800 78.784 79.633 1.00 25.78 O +ATOM 18340 CB LEU J 56 52.756 78.754 78.509 1.00 24.94 C +ATOM 18341 CG LEU J 56 53.449 79.312 77.254 1.00 24.31 C +ATOM 18342 CD1 LEU J 56 54.318 78.244 76.543 1.00 25.76 C +ATOM 18343 CD2 LEU J 56 52.452 79.949 76.277 1.00 23.00 C +ATOM 18344 N ALA J 57 54.405 79.915 80.953 1.00 25.02 N +ATOM 18345 CA ALA J 57 55.463 80.802 81.469 1.00 24.29 C +ATOM 18346 C ALA J 57 56.534 80.019 82.241 1.00 24.84 C +ATOM 18347 O ALA J 57 57.729 80.329 82.169 1.00 26.28 O +ATOM 18348 CB ALA J 57 54.856 81.883 82.342 1.00 23.17 C +ATOM 18349 N LEU J 58 56.111 79.004 82.990 1.00 25.19 N +ATOM 18350 CA LEU J 58 57.056 78.204 83.755 1.00 25.84 C +ATOM 18351 C LEU J 58 57.985 77.397 82.815 1.00 27.16 C +ATOM 18352 O LEU J 58 59.207 77.500 82.931 1.00 27.05 O +ATOM 18353 CB LEU J 58 56.327 77.292 84.753 1.00 26.80 C +ATOM 18354 CG LEU J 58 57.144 76.434 85.719 1.00 26.50 C +ATOM 18355 CD1 LEU J 58 58.057 77.273 86.588 1.00 23.57 C +ATOM 18356 CD2 LEU J 58 56.226 75.581 86.567 1.00 25.48 C +ATOM 18357 N SER J 59 57.414 76.645 81.878 1.00 27.83 N +ATOM 18358 CA SER J 59 58.213 75.799 80.989 1.00 31.21 C +ATOM 18359 C SER J 59 59.103 76.631 80.066 1.00 32.17 C +ATOM 18360 O SER J 59 60.253 76.280 79.802 1.00 34.08 O +ATOM 18361 CB SER J 59 57.335 74.870 80.146 1.00 30.71 C +ATOM 18362 OG SER J 59 56.593 75.622 79.207 1.00 39.33 O +ATOM 18363 N ARG J 60 58.562 77.756 79.613 1.00 32.04 N +ATOM 18364 CA ARG J 60 59.220 78.630 78.662 1.00 32.22 C +ATOM 18365 C ARG J 60 60.329 79.503 79.241 1.00 31.84 C +ATOM 18366 O ARG J 60 61.383 79.651 78.616 1.00 33.28 O +ATOM 18367 CB ARG J 60 58.146 79.515 78.023 1.00 31.91 C +ATOM 18368 CG ARG J 60 58.640 80.572 77.095 1.00 36.63 C +ATOM 18369 CD ARG J 60 57.531 81.035 76.189 1.00 37.69 C +ATOM 18370 NE ARG J 60 56.812 82.212 76.666 1.00 36.97 N +ATOM 18371 CZ ARG J 60 55.781 82.736 76.004 1.00 36.28 C +ATOM 18372 NH1 ARG J 60 55.378 82.189 74.858 1.00 37.01 N +ATOM 18373 NH2 ARG J 60 55.154 83.807 76.474 1.00 38.24 N +ATOM 18374 N SER J 61 60.093 80.109 80.407 1.00 31.26 N +ATOM 18375 CA SER J 61 61.042 81.055 81.008 1.00 30.86 C +ATOM 18376 C SER J 61 61.451 80.732 82.435 1.00 29.24 C +ATOM 18377 O SER J 61 62.175 81.501 83.026 1.00 28.78 O +ATOM 18378 CB SER J 61 60.425 82.450 81.053 1.00 33.69 C +ATOM 18379 OG SER J 61 59.997 82.890 79.778 1.00 43.13 O +ATOM 18380 N GLY J 62 60.946 79.652 83.026 1.00 28.50 N +ATOM 18381 CA GLY J 62 61.157 79.423 84.472 1.00 28.50 C +ATOM 18382 C GLY J 62 60.479 80.436 85.410 1.00 28.25 C +ATOM 18383 O GLY J 62 60.772 80.468 86.599 1.00 30.04 O +ATOM 18384 N VAL J 63 59.580 81.266 84.884 1.00 27.61 N +ATOM 18385 CA VAL J 63 58.805 82.178 85.713 1.00 26.08 C +ATOM 18386 C VAL J 63 57.629 81.380 86.323 1.00 25.03 C +ATOM 18387 O VAL J 63 56.917 80.702 85.613 1.00 24.28 O +ATOM 18388 CB VAL J 63 58.317 83.394 84.894 1.00 27.35 C +ATOM 18389 CG1 VAL J 63 57.334 84.221 85.714 1.00 22.40 C +ATOM 18390 CG2 VAL J 63 59.527 84.251 84.414 1.00 23.68 C +ATOM 18391 N ARG J 64 57.450 81.450 87.638 1.00 24.05 N +ATOM 18392 CA ARG J 64 56.453 80.635 88.322 1.00 23.59 C +ATOM 18393 C ARG J 64 55.368 81.498 88.978 1.00 23.13 C +ATOM 18394 O ARG J 64 55.660 82.270 89.924 1.00 22.88 O +ATOM 18395 CB ARG J 64 57.104 79.733 89.401 1.00 22.96 C +ATOM 18396 CG ARG J 64 56.104 78.710 89.979 1.00 24.56 C +ATOM 18397 CD ARG J 64 56.658 77.889 91.122 1.00 27.23 C +ATOM 18398 NE ARG J 64 57.613 76.873 90.676 1.00 26.45 N +ATOM 18399 CZ ARG J 64 58.933 76.995 90.746 1.00 27.79 C +ATOM 18400 NH1 ARG J 64 59.499 78.104 91.214 1.00 31.57 N +ATOM 18401 NH2 ARG J 64 59.703 76.026 90.300 1.00 30.43 N +ATOM 18402 N CYS J 65 54.123 81.285 88.528 1.00 22.51 N +ATOM 18403 CA CYS J 65 52.940 81.998 88.998 1.00 23.44 C +ATOM 18404 C CYS J 65 51.967 81.061 89.690 1.00 22.98 C +ATOM 18405 O CYS J 65 51.924 79.883 89.371 1.00 24.07 O +ATOM 18406 CB CYS J 65 52.223 82.630 87.810 1.00 24.75 C +ATOM 18407 SG CYS J 65 53.338 83.642 86.858 1.00 24.22 S +HETATM18408 N MSE J 66 51.233 81.597 90.671 1.00 21.12 N +HETATM18409 CA MSE J 66 50.201 80.853 91.408 1.00 19.08 C +HETATM18410 C MSE J 66 48.845 81.412 91.044 1.00 18.72 C +HETATM18411 O MSE J 66 48.603 82.621 91.139 1.00 18.68 O +HETATM18412 CB MSE J 66 50.417 80.950 92.922 1.00 20.70 C +HETATM18413 CG MSE J 66 49.350 80.230 93.742 1.00 19.96 C +HETATM18414 SE MSE J 66 49.263 78.373 93.297 0.75 17.07 SE +HETATM18415 CE MSE J 66 50.717 77.674 94.356 1.00 15.27 C +ATOM 18416 N VAL J 67 47.980 80.525 90.578 1.00 18.89 N +ATOM 18417 CA VAL J 67 46.635 80.846 90.241 1.00 17.87 C +ATOM 18418 C VAL J 67 45.775 80.549 91.485 1.00 18.76 C +ATOM 18419 O VAL J 67 45.584 79.387 91.885 1.00 18.45 O +ATOM 18420 CB VAL J 67 46.124 80.038 89.000 1.00 20.15 C +ATOM 18421 CG1 VAL J 67 44.749 80.550 88.550 1.00 13.33 C +ATOM 18422 CG2 VAL J 67 47.140 80.065 87.842 1.00 18.05 C +HETATM18423 N MSE J 68 45.263 81.629 92.079 1.00 18.36 N +HETATM18424 CA MSE J 68 44.484 81.571 93.311 1.00 18.31 C +HETATM18425 C MSE J 68 43.074 81.054 93.003 1.00 19.01 C +HETATM18426 O MSE J 68 42.666 80.986 91.839 1.00 19.53 O +HETATM18427 CB MSE J 68 44.366 82.980 93.918 1.00 17.62 C +HETATM18428 CG MSE J 68 45.637 83.617 94.338 1.00 20.23 C +HETATM18429 SE MSE J 68 46.461 82.657 95.777 0.75 27.19 SE +HETATM18430 CE MSE J 68 44.987 83.126 97.196 1.00 18.51 C +ATOM 18431 N PRO J 69 42.323 80.651 94.039 1.00 19.82 N +ATOM 18432 CA PRO J 69 40.990 80.160 93.738 1.00 21.51 C +ATOM 18433 C PRO J 69 40.123 81.298 93.181 1.00 21.86 C +ATOM 18434 O PRO J 69 40.282 82.457 93.576 1.00 20.19 O +ATOM 18435 CB PRO J 69 40.483 79.666 95.101 1.00 21.40 C +ATOM 18436 CG PRO J 69 41.731 79.472 95.929 1.00 19.42 C +ATOM 18437 CD PRO J 69 42.620 80.558 95.480 1.00 21.87 C +ATOM 18438 N PRO J 70 39.228 80.979 92.244 1.00 22.50 N +ATOM 18439 CA PRO J 70 38.435 82.080 91.651 1.00 21.97 C +ATOM 18440 C PRO J 70 37.470 82.731 92.639 1.00 21.45 C +ATOM 18441 O PRO J 70 36.921 82.042 93.479 1.00 22.26 O +ATOM 18442 CB PRO J 70 37.659 81.373 90.554 1.00 22.59 C +ATOM 18443 CG PRO J 70 38.429 80.125 90.292 1.00 23.67 C +ATOM 18444 CD PRO J 70 38.877 79.692 91.631 1.00 21.98 C +ATOM 18445 N VAL J 71 37.260 84.041 92.516 1.00 20.73 N +ATOM 18446 CA VAL J 71 36.308 84.748 93.352 1.00 18.13 C +ATOM 18447 C VAL J 71 34.964 84.696 92.645 1.00 17.38 C +ATOM 18448 O VAL J 71 34.831 85.226 91.533 1.00 17.81 O +ATOM 18449 CB VAL J 71 36.700 86.197 93.586 1.00 18.38 C +ATOM 18450 CG1 VAL J 71 35.733 86.850 94.638 1.00 13.32 C +ATOM 18451 CG2 VAL J 71 38.168 86.302 93.998 1.00 14.43 C +ATOM 18452 N PRO J 72 33.961 84.041 93.253 1.00 16.83 N +ATOM 18453 CA PRO J 72 32.688 83.888 92.528 1.00 17.67 C +ATOM 18454 C PRO J 72 31.654 85.025 92.700 1.00 17.97 C +ATOM 18455 O PRO J 72 30.468 84.771 92.517 1.00 21.90 O +ATOM 18456 CB PRO J 72 32.134 82.589 93.127 1.00 18.57 C +ATOM 18457 CG PRO J 72 32.576 82.653 94.568 1.00 19.34 C +ATOM 18458 CD PRO J 72 33.927 83.362 94.564 1.00 16.30 C +ATOM 18459 N PHE J 73 32.102 86.243 92.997 1.00 17.44 N +ATOM 18460 CA PHE J 73 31.250 87.370 93.397 1.00 17.08 C +ATOM 18461 C PHE J 73 31.339 88.533 92.427 1.00 17.26 C +ATOM 18462 O PHE J 73 32.212 89.357 92.526 1.00 17.78 O +ATOM 18463 CB PHE J 73 31.639 87.844 94.813 1.00 18.32 C +ATOM 18464 CG PHE J 73 31.381 86.814 95.870 1.00 21.52 C +ATOM 18465 CD1 PHE J 73 30.085 86.439 96.179 1.00 22.16 C +ATOM 18466 CD2 PHE J 73 32.428 86.184 96.515 1.00 20.08 C +ATOM 18467 CE1 PHE J 73 29.845 85.450 97.130 1.00 23.99 C +ATOM 18468 CE2 PHE J 73 32.189 85.214 97.469 1.00 19.99 C +ATOM 18469 CZ PHE J 73 30.906 84.839 97.762 1.00 16.51 C +ATOM 18470 N GLY J 74 30.418 88.572 91.479 1.00 18.16 N +ATOM 18471 CA GLY J 74 30.401 89.606 90.451 1.00 17.54 C +ATOM 18472 C GLY J 74 29.360 90.667 90.720 1.00 17.07 C +ATOM 18473 O GLY J 74 28.472 90.477 91.539 1.00 16.99 O +ATOM 18474 N ALA J 75 29.519 91.789 90.035 1.00 16.89 N +ATOM 18475 CA ALA J 75 28.591 92.911 90.009 1.00 16.78 C +ATOM 18476 C ALA J 75 27.660 92.709 88.842 1.00 18.55 C +ATOM 18477 O ALA J 75 28.139 92.596 87.696 1.00 20.07 O +ATOM 18478 CB ALA J 75 29.369 94.161 89.768 1.00 16.73 C +ATOM 18479 N HIS J 76 26.351 92.691 89.107 1.00 19.36 N +ATOM 18480 CA HIS J 76 25.357 92.394 88.109 1.00 19.55 C +ATOM 18481 C HIS J 76 24.386 93.573 87.835 1.00 20.75 C +ATOM 18482 O HIS J 76 24.505 94.632 88.447 1.00 19.65 O +ATOM 18483 CB HIS J 76 24.665 91.077 88.500 1.00 21.16 C +ATOM 18484 CG HIS J 76 25.608 89.917 88.475 1.00 20.61 C +ATOM 18485 ND1 HIS J 76 26.062 89.361 87.297 1.00 23.81 N +ATOM 18486 CD2 HIS J 76 26.262 89.277 89.470 1.00 21.24 C +ATOM 18487 CE1 HIS J 76 26.943 88.413 87.572 1.00 25.81 C +ATOM 18488 NE2 HIS J 76 27.094 88.353 88.882 1.00 19.36 N +ATOM 18489 N ASN J 77 23.476 93.367 86.878 1.00 20.26 N +ATOM 18490 CA ASN J 77 22.631 94.406 86.305 1.00 20.96 C +ATOM 18491 C ASN J 77 21.190 94.296 86.786 1.00 21.85 C +ATOM 18492 O ASN J 77 20.774 93.218 87.239 1.00 22.46 O +ATOM 18493 CB ASN J 77 22.583 94.280 84.775 1.00 20.59 C +ATOM 18494 CG ASN J 77 23.800 94.840 84.070 1.00 23.27 C +ATOM 18495 OD1 ASN J 77 24.917 94.647 84.512 1.00 25.09 O +ATOM 18496 ND2 ASN J 77 23.578 95.509 82.913 1.00 21.31 N +ATOM 18497 N PRO J 78 20.388 95.367 86.587 1.00 23.13 N +ATOM 18498 CA PRO J 78 18.966 95.254 86.871 1.00 23.39 C +ATOM 18499 C PRO J 78 18.359 94.082 86.107 1.00 22.89 C +ATOM 18500 O PRO J 78 18.792 93.778 84.986 1.00 23.07 O +ATOM 18501 CB PRO J 78 18.391 96.621 86.404 1.00 23.94 C +ATOM 18502 CG PRO J 78 19.529 97.533 86.375 1.00 24.42 C +ATOM 18503 CD PRO J 78 20.719 96.706 86.047 1.00 24.08 C +ATOM 18504 N GLY J 79 17.447 93.378 86.761 1.00 22.39 N +ATOM 18505 CA GLY J 79 16.845 92.163 86.210 1.00 23.52 C +ATOM 18506 C GLY J 79 17.559 90.849 86.451 1.00 23.57 C +ATOM 18507 O GLY J 79 16.939 89.805 86.332 1.00 25.96 O +ATOM 18508 N GLN J 80 18.862 90.873 86.715 1.00 23.22 N +ATOM 18509 CA GLN J 80 19.634 89.643 86.881 1.00 23.45 C +ATOM 18510 C GLN J 80 19.460 89.069 88.292 1.00 24.71 C +ATOM 18511 O GLN J 80 19.385 87.855 88.472 1.00 24.85 O +ATOM 18512 CB GLN J 80 21.129 89.873 86.612 1.00 25.02 C +ATOM 18513 CG GLN J 80 21.525 90.160 85.170 1.00 21.97 C +ATOM 18514 CD GLN J 80 23.008 89.962 84.947 1.00 24.64 C +ATOM 18515 OE1 GLN J 80 23.840 90.829 85.278 1.00 28.70 O +ATOM 18516 NE2 GLN J 80 23.363 88.807 84.416 1.00 21.87 N +ATOM 18517 N ARG J 81 19.392 89.955 89.285 1.00 24.34 N +ATOM 18518 CA ARG J 81 19.307 89.586 90.694 1.00 26.51 C +ATOM 18519 C ARG J 81 18.055 88.761 91.005 1.00 26.26 C +ATOM 18520 O ARG J 81 18.069 87.953 91.919 1.00 27.10 O +ATOM 18521 CB ARG J 81 19.340 90.863 91.549 1.00 27.29 C +ATOM 18522 CG ARG J 81 19.544 90.667 93.025 1.00 30.66 C +ATOM 18523 CD ARG J 81 19.691 92.014 93.740 1.00 29.12 C +ATOM 18524 NE ARG J 81 18.458 92.812 93.705 1.00 34.06 N +ATOM 18525 CZ ARG J 81 18.145 93.756 94.603 1.00 37.57 C +ATOM 18526 NH1 ARG J 81 18.956 94.026 95.624 1.00 31.88 N +ATOM 18527 NH2 ARG J 81 17.005 94.431 94.493 1.00 37.95 N +ATOM 18528 N GLU J 82 16.995 88.946 90.226 1.00 26.71 N +ATOM 18529 CA GLU J 82 15.786 88.163 90.389 1.00 29.66 C +ATOM 18530 C GLU J 82 15.870 86.743 89.790 1.00 26.68 C +ATOM 18531 O GLU J 82 15.045 85.892 90.106 1.00 26.08 O +ATOM 18532 CB GLU J 82 14.563 88.929 89.836 1.00 31.80 C +ATOM 18533 CG GLU J 82 14.440 88.962 88.293 1.00 37.92 C +ATOM 18534 CD GLU J 82 13.352 89.922 87.758 1.00 37.93 C +ATOM 18535 OE1 GLU J 82 13.061 90.941 88.410 1.00 55.09 O +ATOM 18536 OE2 GLU J 82 12.809 89.667 86.666 1.00 49.08 O +ATOM 18537 N LEU J 83 16.861 86.483 88.947 1.00 25.21 N +ATOM 18538 CA LEU J 83 17.067 85.150 88.375 1.00 24.19 C +ATOM 18539 C LEU J 83 17.638 84.205 89.465 1.00 23.82 C +ATOM 18540 O LEU J 83 18.551 84.601 90.233 1.00 21.42 O +ATOM 18541 CB LEU J 83 17.994 85.227 87.161 1.00 25.03 C +ATOM 18542 CG LEU J 83 17.564 86.049 85.935 1.00 26.61 C +ATOM 18543 CD1 LEU J 83 18.701 86.227 84.932 1.00 22.03 C +ATOM 18544 CD2 LEU J 83 16.362 85.405 85.253 1.00 26.32 C +ATOM 18545 N PRO J 84 17.088 82.971 89.568 1.00 23.25 N +ATOM 18546 CA PRO J 84 17.500 82.057 90.634 1.00 22.71 C +ATOM 18547 C PRO J 84 19.015 81.838 90.695 1.00 21.65 C +ATOM 18548 O PRO J 84 19.657 81.587 89.663 1.00 21.23 O +ATOM 18549 CB PRO J 84 16.766 80.746 90.290 1.00 24.22 C +ATOM 18550 CG PRO J 84 16.369 80.878 88.859 1.00 26.30 C +ATOM 18551 CD PRO J 84 16.076 82.339 88.702 1.00 26.32 C +ATOM 18552 N PHE J 85 19.560 81.988 91.902 1.00 20.96 N +ATOM 18553 CA PHE J 85 20.963 81.734 92.211 1.00 20.59 C +ATOM 18554 C PHE J 85 21.969 82.735 91.664 1.00 20.31 C +ATOM 18555 O PHE J 85 23.145 82.536 91.795 1.00 22.22 O +ATOM 18556 CB PHE J 85 21.328 80.302 91.847 1.00 18.63 C +ATOM 18557 CG PHE J 85 20.258 79.292 92.283 1.00 23.17 C +ATOM 18558 CD1 PHE J 85 19.843 79.241 93.600 1.00 23.36 C +ATOM 18559 CD2 PHE J 85 19.665 78.424 91.366 1.00 21.81 C +ATOM 18560 CE1 PHE J 85 18.869 78.356 93.996 1.00 20.38 C +ATOM 18561 CE2 PHE J 85 18.673 77.546 91.755 1.00 22.64 C +ATOM 18562 CZ PHE J 85 18.282 77.521 93.081 1.00 24.05 C +ATOM 18563 N CYS J 86 21.510 83.828 91.088 1.00 20.82 N +ATOM 18564 CA CYS J 86 22.393 84.900 90.667 1.00 21.21 C +ATOM 18565 C CYS J 86 22.706 85.749 91.899 1.00 21.19 C +ATOM 18566 O CYS J 86 21.793 86.181 92.603 1.00 22.89 O +ATOM 18567 CB CYS J 86 21.716 85.759 89.598 1.00 22.39 C +ATOM 18568 SG CYS J 86 22.811 87.088 88.956 1.00 20.64 S +ATOM 18569 N ILE J 87 23.984 85.949 92.178 1.00 19.20 N +ATOM 18570 CA ILE J 87 24.397 86.716 93.327 1.00 19.60 C +ATOM 18571 C ILE J 87 24.995 88.038 92.915 1.00 18.76 C +ATOM 18572 O ILE J 87 26.127 88.064 92.444 1.00 19.21 O +ATOM 18573 CB ILE J 87 25.420 85.943 94.233 1.00 18.96 C +ATOM 18574 CG1 ILE J 87 24.857 84.563 94.625 1.00 20.80 C +ATOM 18575 CG2 ILE J 87 25.773 86.774 95.479 1.00 15.98 C +ATOM 18576 CD1 ILE J 87 23.496 84.577 95.394 1.00 18.04 C +ATOM 18577 N HIS J 88 24.280 89.141 93.164 1.00 18.34 N +ATOM 18578 CA HIS J 88 24.864 90.488 92.969 1.00 18.42 C +ATOM 18579 C HIS J 88 25.798 90.863 94.122 1.00 17.16 C +ATOM 18580 O HIS J 88 25.437 90.746 95.296 1.00 17.60 O +ATOM 18581 CB HIS J 88 23.794 91.568 92.832 1.00 18.34 C +ATOM 18582 CG HIS J 88 24.361 92.952 92.787 1.00 19.17 C +ATOM 18583 ND1 HIS J 88 25.162 93.389 91.754 1.00 17.34 N +ATOM 18584 CD2 HIS J 88 24.258 93.990 93.649 1.00 19.62 C +ATOM 18585 CE1 HIS J 88 25.546 94.632 91.989 1.00 21.51 C +ATOM 18586 NE2 HIS J 88 25.005 95.023 93.131 1.00 20.86 N +ATOM 18587 N THR J 89 26.983 91.339 93.778 1.00 17.55 N +ATOM 18588 CA THR J 89 27.965 91.781 94.761 1.00 17.19 C +ATOM 18589 C THR J 89 28.141 93.306 94.662 1.00 16.60 C +ATOM 18590 O THR J 89 28.471 93.823 93.592 1.00 16.93 O +ATOM 18591 CB THR J 89 29.304 91.074 94.485 1.00 18.09 C +ATOM 18592 OG1 THR J 89 29.069 89.658 94.340 1.00 17.18 O +ATOM 18593 CG2 THR J 89 30.296 91.314 95.609 1.00 16.35 C +ATOM 18594 N ARG J 90 27.967 94.011 95.777 1.00 14.38 N +ATOM 18595 CA ARG J 90 28.222 95.442 95.819 1.00 15.96 C +ATOM 18596 C ARG J 90 29.703 95.718 95.594 1.00 16.67 C +ATOM 18597 O ARG J 90 30.526 94.901 95.933 1.00 16.00 O +ATOM 18598 CB ARG J 90 27.790 96.053 97.159 1.00 14.76 C +ATOM 18599 CG ARG J 90 26.290 96.106 97.375 1.00 17.98 C +ATOM 18600 CD ARG J 90 25.989 96.545 98.803 1.00 18.67 C +ATOM 18601 NE ARG J 90 26.236 95.437 99.706 1.00 24.93 N +ATOM 18602 CZ ARG J 90 26.282 95.507 101.031 1.00 27.07 C +ATOM 18603 NH1 ARG J 90 26.109 96.669 101.657 1.00 27.58 N +ATOM 18604 NH2 ARG J 90 26.503 94.392 101.730 1.00 24.50 N +ATOM 18605 N TYR J 91 30.025 96.874 95.012 1.00 17.68 N +ATOM 18606 CA TYR J 91 31.422 97.273 94.768 1.00 17.21 C +ATOM 18607 C TYR J 91 32.213 97.285 96.075 1.00 15.58 C +ATOM 18608 O TYR J 91 33.351 96.825 96.100 1.00 16.91 O +ATOM 18609 CB TYR J 91 31.480 98.679 94.119 1.00 20.09 C +ATOM 18610 CG TYR J 91 32.857 99.109 93.625 1.00 20.70 C +ATOM 18611 CD1 TYR J 91 33.829 99.592 94.500 1.00 21.25 C +ATOM 18612 CD2 TYR J 91 33.165 99.049 92.281 1.00 24.87 C +ATOM 18613 CE1 TYR J 91 35.069 100.005 94.046 1.00 21.41 C +ATOM 18614 CE2 TYR J 91 34.390 99.446 91.809 1.00 25.38 C +ATOM 18615 CZ TYR J 91 35.348 99.922 92.703 1.00 26.11 C +ATOM 18616 OH TYR J 91 36.566 100.302 92.206 1.00 32.41 O +ATOM 18617 N ALA J 92 31.589 97.794 97.146 1.00 16.43 N +ATOM 18618 CA ALA J 92 32.194 97.856 98.489 1.00 16.09 C +ATOM 18619 C ALA J 92 32.531 96.462 99.006 1.00 15.62 C +ATOM 18620 O ALA J 92 33.577 96.281 99.607 1.00 15.10 O +ATOM 18621 CB ALA J 92 31.290 98.657 99.538 1.00 15.58 C +ATOM 18622 N THR J 93 31.676 95.484 98.697 1.00 15.55 N +ATOM 18623 CA THR J 93 31.917 94.088 99.091 1.00 14.60 C +ATOM 18624 C THR J 93 33.113 93.522 98.347 1.00 15.66 C +ATOM 18625 O THR J 93 33.974 92.905 98.949 1.00 15.96 O +ATOM 18626 CB THR J 93 30.668 93.208 98.855 1.00 14.44 C +ATOM 18627 OG1 THR J 93 29.551 93.753 99.581 1.00 13.20 O +ATOM 18628 CG2 THR J 93 30.924 91.710 99.265 1.00 9.19 C +ATOM 18629 N GLN J 94 33.178 93.753 97.042 1.00 16.76 N +ATOM 18630 CA GLN J 94 34.343 93.341 96.238 1.00 15.74 C +ATOM 18631 C GLN J 94 35.599 94.037 96.675 1.00 15.76 C +ATOM 18632 O GLN J 94 36.673 93.435 96.689 1.00 15.60 O +ATOM 18633 CB GLN J 94 34.132 93.608 94.745 1.00 16.29 C +ATOM 18634 CG GLN J 94 32.904 92.924 94.121 1.00 16.06 C +ATOM 18635 CD GLN J 94 32.732 93.255 92.657 1.00 15.86 C +ATOM 18636 OE1 GLN J 94 32.752 94.429 92.259 1.00 21.41 O +ATOM 18637 NE2 GLN J 94 32.591 92.224 91.835 1.00 16.22 N +ATOM 18638 N GLN J 95 35.497 95.326 97.003 1.00 16.50 N +ATOM 18639 CA GLN J 95 36.668 96.032 97.467 1.00 16.26 C +ATOM 18640 C GLN J 95 37.188 95.464 98.787 1.00 15.57 C +ATOM 18641 O GLN J 95 38.384 95.341 98.951 1.00 16.52 O +ATOM 18642 CB GLN J 95 36.436 97.515 97.601 1.00 16.10 C +ATOM 18643 CG GLN J 95 37.708 98.265 97.892 1.00 17.07 C +ATOM 18644 CD GLN J 95 37.459 99.732 98.101 1.00 27.43 C +ATOM 18645 OE1 GLN J 95 37.026 100.429 97.197 1.00 32.07 O +ATOM 18646 NE2 GLN J 95 37.705 100.208 99.318 1.00 39.92 N +ATOM 18647 N ALA J 96 36.295 95.129 99.719 1.00 15.54 N +ATOM 18648 CA ALA J 96 36.702 94.492 100.980 1.00 15.47 C +ATOM 18649 C ALA J 96 37.442 93.195 100.705 1.00 16.26 C +ATOM 18650 O ALA J 96 38.503 92.944 101.302 1.00 14.78 O +ATOM 18651 CB ALA J 96 35.489 94.241 101.918 1.00 14.17 C +ATOM 18652 N ILE J 97 36.890 92.385 99.797 1.00 15.98 N +ATOM 18653 CA ILE J 97 37.514 91.125 99.357 1.00 14.77 C +ATOM 18654 C ILE J 97 38.934 91.345 98.854 1.00 15.88 C +ATOM 18655 O ILE J 97 39.851 90.750 99.399 1.00 16.41 O +ATOM 18656 CB ILE J 97 36.707 90.368 98.278 1.00 14.75 C +ATOM 18657 CG1 ILE J 97 35.433 89.777 98.872 1.00 16.84 C +ATOM 18658 CG2 ILE J 97 37.542 89.232 97.667 1.00 12.58 C +ATOM 18659 CD1 ILE J 97 34.453 89.180 97.856 1.00 11.69 C +ATOM 18660 N LEU J 98 39.117 92.224 97.863 1.00 16.40 N +ATOM 18661 CA LEU J 98 40.436 92.521 97.307 1.00 16.59 C +ATOM 18662 C LEU J 98 41.404 93.064 98.364 1.00 17.45 C +ATOM 18663 O LEU J 98 42.568 92.688 98.359 1.00 18.04 O +ATOM 18664 CB LEU J 98 40.360 93.502 96.114 1.00 16.30 C +ATOM 18665 CG LEU J 98 41.696 93.774 95.377 1.00 17.26 C +ATOM 18666 CD1 LEU J 98 42.302 92.483 94.776 1.00 14.25 C +ATOM 18667 CD2 LEU J 98 41.565 94.785 94.296 1.00 16.10 C +ATOM 18668 N GLU J 99 40.927 93.973 99.228 1.00 17.87 N +ATOM 18669 CA GLU J 99 41.707 94.470 100.387 1.00 18.26 C +ATOM 18670 C GLU J 99 42.236 93.330 101.269 1.00 17.69 C +ATOM 18671 O GLU J 99 43.391 93.323 101.647 1.00 17.78 O +ATOM 18672 CB GLU J 99 40.842 95.424 101.258 1.00 19.26 C +ATOM 18673 CG GLU J 99 40.717 96.866 100.735 1.00 20.73 C +ATOM 18674 CD GLU J 99 39.614 97.709 101.435 1.00 23.71 C +ATOM 18675 OE1 GLU J 99 38.892 97.189 102.327 1.00 26.59 O +ATOM 18676 OE2 GLU J 99 39.453 98.899 101.064 1.00 24.58 O +ATOM 18677 N ASP J 100 41.395 92.359 101.592 1.00 16.95 N +ATOM 18678 CA ASP J 100 41.860 91.212 102.390 1.00 17.08 C +ATOM 18679 C ASP J 100 42.890 90.324 101.672 1.00 17.76 C +ATOM 18680 O ASP J 100 43.896 89.934 102.279 1.00 18.16 O +ATOM 18681 CB ASP J 100 40.673 90.439 102.941 1.00 15.48 C +ATOM 18682 CG ASP J 100 39.902 91.264 103.976 1.00 21.20 C +ATOM 18683 OD1 ASP J 100 40.361 92.406 104.280 1.00 20.45 O +ATOM 18684 OD2 ASP J 100 38.847 90.795 104.455 1.00 21.78 O +ATOM 18685 N ILE J 101 42.694 90.092 100.374 1.00 17.86 N +ATOM 18686 CA ILE J 101 43.628 89.294 99.586 1.00 15.57 C +ATOM 18687 C ILE J 101 44.974 89.998 99.511 1.00 17.01 C +ATOM 18688 O ILE J 101 46.020 89.407 99.790 1.00 18.19 O +ATOM 18689 CB ILE J 101 43.043 89.024 98.158 1.00 16.46 C +ATOM 18690 CG1 ILE J 101 41.726 88.217 98.251 1.00 14.13 C +ATOM 18691 CG2 ILE J 101 44.021 88.294 97.296 1.00 14.86 C +ATOM 18692 CD1 ILE J 101 41.032 87.888 96.830 1.00 13.74 C +ATOM 18693 N VAL J 102 44.960 91.290 99.174 1.00 17.87 N +ATOM 18694 CA VAL J 102 46.196 92.044 99.030 1.00 17.32 C +ATOM 18695 C VAL J 102 46.914 92.107 100.368 1.00 18.05 C +ATOM 18696 O VAL J 102 48.149 91.895 100.438 1.00 19.00 O +ATOM 18697 CB VAL J 102 45.930 93.444 98.387 1.00 18.98 C +ATOM 18698 CG1 VAL J 102 47.187 94.302 98.357 1.00 14.97 C +ATOM 18699 CG2 VAL J 102 45.364 93.264 96.950 1.00 17.75 C +ATOM 18700 N SER J 103 46.166 92.383 101.439 1.00 17.45 N +ATOM 18701 CA SER J 103 46.768 92.449 102.773 1.00 18.58 C +ATOM 18702 C SER J 103 47.536 91.159 103.126 1.00 18.34 C +ATOM 18703 O SER J 103 48.672 91.214 103.601 1.00 19.18 O +ATOM 18704 CB SER J 103 45.710 92.725 103.842 1.00 16.44 C +ATOM 18705 OG SER J 103 46.293 92.632 105.146 1.00 29.33 O +ATOM 18706 N SER J 104 46.908 90.008 102.889 1.00 18.39 N +ATOM 18707 CA SER J 104 47.537 88.717 103.196 1.00 17.97 C +ATOM 18708 C SER J 104 48.742 88.482 102.297 1.00 17.24 C +ATOM 18709 O SER J 104 49.841 88.207 102.794 1.00 17.52 O +ATOM 18710 CB SER J 104 46.546 87.554 103.086 1.00 19.96 C +ATOM 18711 OG SER J 104 45.544 87.628 104.073 1.00 18.61 O +ATOM 18712 N LEU J 105 48.547 88.619 100.989 1.00 17.24 N +ATOM 18713 CA LEU J 105 49.626 88.415 100.035 1.00 17.67 C +ATOM 18714 C LEU J 105 50.825 89.304 100.337 1.00 18.54 C +ATOM 18715 O LEU J 105 51.937 88.808 100.265 1.00 18.21 O +ATOM 18716 CB LEU J 105 49.187 88.635 98.568 1.00 19.32 C +ATOM 18717 CG LEU J 105 48.138 87.704 97.931 1.00 16.19 C +ATOM 18718 CD1 LEU J 105 47.751 88.220 96.506 1.00 12.64 C +ATOM 18719 CD2 LEU J 105 48.577 86.292 97.916 1.00 16.42 C +ATOM 18720 N HIS J 106 50.595 90.580 100.679 1.00 19.08 N +ATOM 18721 CA HIS J 106 51.688 91.511 101.010 1.00 21.40 C +ATOM 18722 C HIS J 106 52.485 91.061 102.230 1.00 21.11 C +ATOM 18723 O HIS J 106 53.698 91.173 102.263 1.00 22.95 O +ATOM 18724 CB HIS J 106 51.142 92.933 101.204 1.00 23.60 C +ATOM 18725 CG HIS J 106 52.205 93.991 101.332 1.00 23.28 C +ATOM 18726 ND1 HIS J 106 52.780 94.340 102.539 1.00 24.03 N +ATOM 18727 CD2 HIS J 106 52.773 94.796 100.400 1.00 24.41 C +ATOM 18728 CE1 HIS J 106 53.669 95.301 102.337 1.00 25.21 C +ATOM 18729 NE2 HIS J 106 53.690 95.588 101.047 1.00 21.47 N +ATOM 18730 N VAL J 107 51.802 90.536 103.236 1.00 21.85 N +ATOM 18731 CA VAL J 107 52.473 90.039 104.445 1.00 23.00 C +ATOM 18732 C VAL J 107 53.339 88.827 104.124 1.00 22.34 C +ATOM 18733 O VAL J 107 54.363 88.589 104.769 1.00 22.69 O +ATOM 18734 CB VAL J 107 51.447 89.687 105.553 1.00 20.73 C +ATOM 18735 CG1 VAL J 107 52.055 88.750 106.649 1.00 21.04 C +ATOM 18736 CG2 VAL J 107 50.932 90.942 106.151 1.00 18.47 C +ATOM 18737 N GLN J 108 52.915 88.074 103.122 1.00 21.99 N +ATOM 18738 CA GLN J 108 53.615 86.844 102.696 1.00 21.73 C +ATOM 18739 C GLN J 108 54.811 87.111 101.819 1.00 22.93 C +ATOM 18740 O GLN J 108 55.501 86.171 101.433 1.00 23.58 O +ATOM 18741 CB GLN J 108 52.648 85.931 101.937 1.00 21.03 C +ATOM 18742 CG GLN J 108 51.522 85.425 102.814 1.00 19.41 C +ATOM 18743 CD GLN J 108 50.300 85.005 102.035 1.00 16.16 C +ATOM 18744 OE1 GLN J 108 50.367 84.748 100.840 1.00 20.83 O +ATOM 18745 NE2 GLN J 108 49.194 84.881 102.719 1.00 16.64 N +ATOM 18746 N GLY J 109 55.026 88.376 101.473 1.00 22.62 N +ATOM 18747 CA GLY J 109 56.189 88.779 100.719 1.00 22.09 C +ATOM 18748 C GLY J 109 55.947 89.038 99.254 1.00 22.27 C +ATOM 18749 O GLY J 109 56.892 89.370 98.551 1.00 21.62 O +ATOM 18750 N PHE J 110 54.704 88.885 98.780 1.00 20.90 N +ATOM 18751 CA PHE J 110 54.397 89.016 97.350 1.00 19.22 C +ATOM 18752 C PHE J 110 54.147 90.476 96.969 1.00 20.47 C +ATOM 18753 O PHE J 110 53.630 91.257 97.774 1.00 21.35 O +ATOM 18754 CB PHE J 110 53.200 88.166 96.974 1.00 20.62 C +ATOM 18755 CG PHE J 110 53.399 86.695 97.228 1.00 19.08 C +ATOM 18756 CD1 PHE J 110 54.397 86.000 96.573 1.00 18.76 C +ATOM 18757 CD2 PHE J 110 52.581 86.020 98.115 1.00 15.92 C +ATOM 18758 CE1 PHE J 110 54.598 84.664 96.806 1.00 22.31 C +ATOM 18759 CE2 PHE J 110 52.736 84.664 98.344 1.00 18.70 C +ATOM 18760 CZ PHE J 110 53.766 83.979 97.708 1.00 22.68 C +ATOM 18761 N ARG J 111 54.553 90.857 95.759 1.00 20.00 N +ATOM 18762 CA ARG J 111 54.495 92.245 95.334 1.00 21.41 C +ATOM 18763 C ARG J 111 53.849 92.486 93.950 1.00 20.46 C +ATOM 18764 O ARG J 111 53.766 93.626 93.507 1.00 20.48 O +ATOM 18765 CB ARG J 111 55.902 92.823 95.374 1.00 20.35 C +ATOM 18766 CG ARG J 111 56.497 92.914 96.797 1.00 20.87 C +ATOM 18767 CD ARG J 111 55.748 93.849 97.722 1.00 17.68 C +ATOM 18768 NE ARG J 111 56.376 93.936 99.040 1.00 24.93 N +ATOM 18769 CZ ARG J 111 56.094 93.171 100.088 1.00 23.10 C +ATOM 18770 NH1 ARG J 111 55.167 92.219 100.031 1.00 20.73 N +ATOM 18771 NH2 ARG J 111 56.735 93.370 101.222 1.00 23.79 N +ATOM 18772 N LYS J 112 53.392 91.419 93.297 1.00 19.62 N +ATOM 18773 CA LYS J 112 52.824 91.459 91.950 1.00 20.23 C +ATOM 18774 C LYS J 112 51.614 90.549 91.806 1.00 19.47 C +ATOM 18775 O LYS J 112 51.702 89.323 91.998 1.00 19.11 O +ATOM 18776 CB LYS J 112 53.864 91.018 90.913 1.00 21.67 C +ATOM 18777 CG LYS J 112 55.068 91.953 90.825 1.00 25.03 C +ATOM 18778 CD LYS J 112 56.279 91.279 90.289 1.00 32.49 C +ATOM 18779 CE LYS J 112 57.450 92.270 90.221 1.00 40.42 C +ATOM 18780 NZ LYS J 112 58.581 91.793 89.372 1.00 42.96 N +ATOM 18781 N LEU J 113 50.512 91.160 91.385 1.00 18.90 N +ATOM 18782 CA LEU J 113 49.219 90.515 91.271 1.00 18.51 C +ATOM 18783 C LEU J 113 48.494 90.959 90.002 1.00 18.23 C +ATOM 18784 O LEU J 113 48.379 92.157 89.698 1.00 19.11 O +ATOM 18785 CB LEU J 113 48.328 90.880 92.477 1.00 19.98 C +ATOM 18786 CG LEU J 113 46.865 90.403 92.432 1.00 14.74 C +ATOM 18787 CD1 LEU J 113 46.786 88.938 92.599 1.00 12.96 C +ATOM 18788 CD2 LEU J 113 46.071 91.104 93.512 1.00 16.80 C +ATOM 18789 N LEU J 114 47.993 89.982 89.272 1.00 17.95 N +ATOM 18790 CA LEU J 114 47.067 90.240 88.171 1.00 17.59 C +ATOM 18791 C LEU J 114 45.685 89.744 88.543 1.00 17.23 C +ATOM 18792 O LEU J 114 45.518 88.590 88.892 1.00 18.84 O +ATOM 18793 CB LEU J 114 47.538 89.512 86.900 1.00 19.34 C +ATOM 18794 CG LEU J 114 46.607 89.580 85.685 1.00 18.88 C +ATOM 18795 CD1 LEU J 114 46.638 91.010 85.039 1.00 13.23 C +ATOM 18796 CD2 LEU J 114 46.986 88.499 84.741 1.00 15.98 C +ATOM 18797 N ILE J 115 44.688 90.596 88.415 1.00 17.47 N +ATOM 18798 CA ILE J 115 43.304 90.155 88.489 1.00 17.33 C +ATOM 18799 C ILE J 115 42.877 89.770 87.065 1.00 18.42 C +ATOM 18800 O ILE J 115 42.895 90.613 86.180 1.00 18.96 O +ATOM 18801 CB ILE J 115 42.401 91.239 89.059 1.00 18.11 C +ATOM 18802 CG1 ILE J 115 42.992 91.790 90.384 1.00 16.37 C +ATOM 18803 CG2 ILE J 115 40.931 90.721 89.167 1.00 14.90 C +ATOM 18804 CD1 ILE J 115 42.264 93.013 90.937 1.00 14.25 C +ATOM 18805 N LEU J 116 42.523 88.509 86.837 1.00 17.66 N +ATOM 18806 CA LEU J 116 42.040 88.070 85.522 1.00 17.05 C +ATOM 18807 C LEU J 116 40.560 87.780 85.622 1.00 17.28 C +ATOM 18808 O LEU J 116 40.129 86.754 86.116 1.00 17.79 O +ATOM 18809 CB LEU J 116 42.782 86.827 85.026 1.00 17.48 C +ATOM 18810 CG LEU J 116 42.483 86.353 83.593 1.00 17.27 C +ATOM 18811 CD1 LEU J 116 42.904 87.457 82.589 1.00 12.19 C +ATOM 18812 CD2 LEU J 116 43.180 85.036 83.263 1.00 13.10 C +ATOM 18813 N SER J 117 39.776 88.700 85.109 1.00 18.51 N +ATOM 18814 CA SER J 117 38.351 88.665 85.274 1.00 18.56 C +ATOM 18815 C SER J 117 37.726 87.905 84.122 1.00 20.77 C +ATOM 18816 O SER J 117 38.194 88.016 82.992 1.00 20.57 O +ATOM 18817 CB SER J 117 37.809 90.098 85.352 1.00 19.69 C +ATOM 18818 OG SER J 117 36.397 90.121 85.368 1.00 21.93 O +ATOM 18819 N GLY J 118 36.674 87.125 84.435 1.00 20.42 N +ATOM 18820 CA GLY J 118 35.804 86.565 83.436 1.00 20.68 C +ATOM 18821 C GLY J 118 34.422 87.192 83.347 1.00 19.95 C +ATOM 18822 O GLY J 118 33.595 86.676 82.668 1.00 21.14 O +ATOM 18823 N HIS J 119 34.178 88.300 84.030 1.00 19.67 N +ATOM 18824 CA HIS J 119 32.879 88.948 84.045 1.00 21.03 C +ATOM 18825 C HIS J 119 33.052 90.449 83.798 1.00 22.48 C +ATOM 18826 O HIS J 119 33.688 91.160 84.593 1.00 23.63 O +ATOM 18827 CB HIS J 119 32.211 88.717 85.410 1.00 21.55 C +ATOM 18828 CG HIS J 119 30.944 89.475 85.601 1.00 20.82 C +ATOM 18829 ND1 HIS J 119 29.810 89.236 84.850 1.00 19.92 N +ATOM 18830 CD2 HIS J 119 30.619 90.458 86.472 1.00 23.63 C +ATOM 18831 CE1 HIS J 119 28.847 90.045 85.247 1.00 21.46 C +ATOM 18832 NE2 HIS J 119 29.308 90.791 86.239 1.00 21.22 N +ATOM 18833 N GLY J 120 32.465 90.928 82.704 1.00 22.96 N +ATOM 18834 CA GLY J 120 32.597 92.312 82.277 1.00 22.78 C +ATOM 18835 C GLY J 120 31.902 93.331 83.167 1.00 23.44 C +ATOM 18836 O GLY J 120 32.206 94.509 83.100 1.00 24.49 O +ATOM 18837 N GLY J 121 30.944 92.884 83.969 1.00 23.59 N +ATOM 18838 CA GLY J 121 30.345 93.723 84.985 1.00 22.75 C +ATOM 18839 C GLY J 121 31.278 94.090 86.121 1.00 22.56 C +ATOM 18840 O GLY J 121 31.004 95.029 86.843 1.00 23.01 O +ATOM 18841 N ASN J 122 32.380 93.352 86.291 1.00 22.59 N +ATOM 18842 CA ASN J 122 33.399 93.711 87.277 1.00 21.54 C +ATOM 18843 C ASN J 122 34.272 94.828 86.752 1.00 22.07 C +ATOM 18844 O ASN J 122 34.706 94.787 85.622 1.00 21.81 O +ATOM 18845 CB ASN J 122 34.319 92.529 87.610 1.00 22.16 C +ATOM 18846 CG ASN J 122 33.586 91.384 88.252 1.00 22.02 C +ATOM 18847 OD1 ASN J 122 32.585 91.601 88.939 1.00 20.97 O +ATOM 18848 ND2 ASN J 122 34.069 90.161 88.033 1.00 16.62 N +ATOM 18849 N ASN J 123 34.563 95.786 87.621 1.00 21.12 N +ATOM 18850 CA ASN J 123 35.407 96.921 87.333 1.00 22.90 C +ATOM 18851 C ASN J 123 36.357 97.106 88.524 1.00 20.47 C +ATOM 18852 O ASN J 123 35.905 97.207 89.636 1.00 21.28 O +ATOM 18853 CB ASN J 123 34.527 98.148 87.123 1.00 23.72 C +ATOM 18854 CG ASN J 123 33.707 98.077 85.832 1.00 31.07 C +ATOM 18855 OD1 ASN J 123 34.262 98.175 84.745 1.00 37.51 O +ATOM 18856 ND2 ASN J 123 32.366 97.921 85.956 1.00 32.56 N +ATOM 18857 N PHE J 124 37.660 97.125 88.265 1.00 20.41 N +ATOM 18858 CA PHE J 124 38.699 97.090 89.331 1.00 19.29 C +ATOM 18859 C PHE J 124 39.622 98.303 89.356 1.00 18.70 C +ATOM 18860 O PHE J 124 40.497 98.360 90.165 1.00 19.37 O +ATOM 18861 CB PHE J 124 39.562 95.818 89.221 1.00 19.25 C +ATOM 18862 CG PHE J 124 38.787 94.546 89.323 1.00 20.54 C +ATOM 18863 CD1 PHE J 124 38.338 94.082 90.563 1.00 21.33 C +ATOM 18864 CD2 PHE J 124 38.513 93.800 88.188 1.00 17.67 C +ATOM 18865 CE1 PHE J 124 37.611 92.948 90.666 1.00 15.53 C +ATOM 18866 CE2 PHE J 124 37.778 92.646 88.286 1.00 17.26 C +ATOM 18867 CZ PHE J 124 37.331 92.213 89.539 1.00 19.75 C +ATOM 18868 N LYS J 125 39.428 99.275 88.479 1.00 19.38 N +ATOM 18869 CA LYS J 125 40.389 100.383 88.350 1.00 18.87 C +ATOM 18870 C LYS J 125 40.395 101.296 89.586 1.00 18.94 C +ATOM 18871 O LYS J 125 41.466 101.661 90.087 1.00 20.69 O +ATOM 18872 CB LYS J 125 40.075 101.202 87.117 1.00 19.64 C +ATOM 18873 CG LYS J 125 40.330 100.484 85.784 1.00 20.16 C +ATOM 18874 CD LYS J 125 40.253 101.497 84.644 1.00 23.48 C +ATOM 18875 CE LYS J 125 40.250 100.842 83.271 1.00 28.08 C +ATOM 18876 NZ LYS J 125 40.414 101.885 82.251 1.00 32.30 N +ATOM 18877 N GLY J 126 39.215 101.641 90.094 1.00 18.03 N +ATOM 18878 CA GLY J 126 39.093 102.391 91.357 1.00 18.22 C +ATOM 18879 C GLY J 126 39.736 101.686 92.545 1.00 19.53 C +ATOM 18880 O GLY J 126 40.453 102.309 93.339 1.00 17.85 O +HETATM18881 N MSE J 127 39.473 100.382 92.673 1.00 19.85 N +HETATM18882 CA MSE J 127 40.071 99.576 93.753 1.00 19.71 C +HETATM18883 C MSE J 127 41.568 99.577 93.629 1.00 18.30 C +HETATM18884 O MSE J 127 42.268 99.661 94.618 1.00 17.19 O +HETATM18885 CB MSE J 127 39.627 98.101 93.709 1.00 17.96 C +HETATM18886 CG MSE J 127 38.175 97.894 93.927 1.00 23.84 C +HETATM18887 SE MSE J 127 37.672 96.080 93.795 0.75 18.25 SE +HETATM18888 CE MSE J 127 35.946 96.410 93.050 1.00 16.66 C +ATOM 18889 N ILE J 128 42.063 99.389 92.416 1.00 18.68 N +ATOM 18890 CA ILE J 128 43.515 99.429 92.202 1.00 18.00 C +ATOM 18891 C ILE J 128 44.116 100.824 92.507 1.00 18.30 C +ATOM 18892 O ILE J 128 45.218 100.938 93.072 1.00 18.25 O +ATOM 18893 CB ILE J 128 43.873 98.950 90.779 1.00 18.70 C +ATOM 18894 CG1 ILE J 128 43.611 97.447 90.644 1.00 17.52 C +ATOM 18895 CG2 ILE J 128 45.370 99.203 90.426 1.00 17.49 C +ATOM 18896 CD1 ILE J 128 43.608 96.938 89.227 1.00 16.05 C +ATOM 18897 N ARG J 129 43.420 101.899 92.145 1.00 18.17 N +ATOM 18898 CA ARG J 129 43.930 103.236 92.460 1.00 18.62 C +ATOM 18899 C ARG J 129 44.100 103.447 93.970 1.00 19.11 C +ATOM 18900 O ARG J 129 45.144 103.936 94.436 1.00 20.51 O +ATOM 18901 CB ARG J 129 43.026 104.322 91.867 1.00 19.70 C +ATOM 18902 CG ARG J 129 43.243 104.526 90.378 1.00 23.17 C +ATOM 18903 CD ARG J 129 42.424 105.695 89.880 1.00 23.47 C +ATOM 18904 NE ARG J 129 42.833 106.136 88.558 1.00 20.92 N +ATOM 18905 CZ ARG J 129 42.335 105.665 87.421 1.00 25.30 C +ATOM 18906 NH1 ARG J 129 41.379 104.745 87.435 1.00 28.06 N +ATOM 18907 NH2 ARG J 129 42.785 106.133 86.256 1.00 27.04 N +ATOM 18908 N ASP J 130 43.060 103.079 94.712 1.00 19.42 N +ATOM 18909 CA ASP J 130 43.005 103.236 96.170 1.00 19.21 C +ATOM 18910 C ASP J 130 44.027 102.332 96.856 1.00 19.84 C +ATOM 18911 O ASP J 130 44.658 102.746 97.829 1.00 20.45 O +ATOM 18912 CB ASP J 130 41.582 102.952 96.682 1.00 20.42 C +ATOM 18913 CG ASP J 130 40.564 104.040 96.264 1.00 22.68 C +ATOM 18914 OD1 ASP J 130 40.989 105.155 95.882 1.00 21.95 O +ATOM 18915 OD2 ASP J 130 39.350 103.772 96.322 1.00 23.49 O +ATOM 18916 N LEU J 131 44.174 101.103 96.365 1.00 19.50 N +ATOM 18917 CA LEU J 131 45.197 100.183 96.890 1.00 19.97 C +ATOM 18918 C LEU J 131 46.644 100.621 96.571 1.00 20.72 C +ATOM 18919 O LEU J 131 47.569 100.308 97.313 1.00 21.56 O +ATOM 18920 CB LEU J 131 44.931 98.764 96.403 1.00 19.11 C +ATOM 18921 CG LEU J 131 43.807 98.000 97.138 1.00 20.75 C +ATOM 18922 CD1 LEU J 131 43.337 96.709 96.456 1.00 19.48 C +ATOM 18923 CD2 LEU J 131 44.227 97.690 98.547 1.00 17.27 C +ATOM 18924 N ALA J 132 46.840 101.371 95.490 1.00 21.40 N +ATOM 18925 CA ALA J 132 48.156 101.892 95.104 1.00 21.87 C +ATOM 18926 C ALA J 132 48.693 102.860 96.132 1.00 22.24 C +ATOM 18927 O ALA J 132 49.879 102.920 96.369 1.00 23.57 O +ATOM 18928 CB ALA J 132 48.094 102.562 93.709 1.00 19.55 C +ATOM 18929 N PHE J 133 47.801 103.603 96.775 1.00 24.36 N +ATOM 18930 CA PHE J 133 48.202 104.525 97.849 1.00 25.48 C +ATOM 18931 C PHE J 133 48.415 103.773 99.172 1.00 26.13 C +ATOM 18932 O PHE J 133 49.357 104.042 99.879 1.00 27.67 O +ATOM 18933 CB PHE J 133 47.176 105.684 97.963 1.00 25.95 C +ATOM 18934 CG PHE J 133 47.080 106.530 96.700 1.00 26.04 C +ATOM 18935 CD1 PHE J 133 48.207 107.114 96.151 1.00 27.41 C +ATOM 18936 CD2 PHE J 133 45.884 106.731 96.065 1.00 25.92 C +ATOM 18937 CE1 PHE J 133 48.132 107.863 95.018 1.00 25.18 C +ATOM 18938 CE2 PHE J 133 45.817 107.483 94.923 1.00 26.32 C +ATOM 18939 CZ PHE J 133 46.949 108.058 94.403 1.00 24.21 C +ATOM 18940 N GLU J 134 47.600 102.772 99.474 1.00 27.05 N +ATOM 18941 CA GLU J 134 47.850 101.931 100.664 1.00 28.48 C +ATOM 18942 C GLU J 134 49.106 101.040 100.586 1.00 26.16 C +ATOM 18943 O GLU J 134 49.794 100.845 101.586 1.00 25.05 O +ATOM 18944 CB GLU J 134 46.645 101.034 100.957 1.00 28.63 C +ATOM 18945 CG GLU J 134 45.377 101.808 101.305 1.00 44.47 C +ATOM 18946 CD GLU J 134 45.575 102.723 102.509 1.00 52.13 C +ATOM 18947 OE1 GLU J 134 46.066 102.233 103.558 1.00 60.69 O +ATOM 18948 OE2 GLU J 134 45.251 103.933 102.393 1.00 67.62 O +ATOM 18949 N TYR J 135 49.348 100.446 99.422 1.00 23.36 N +ATOM 18950 CA TYR J 135 50.449 99.509 99.238 1.00 22.39 C +ATOM 18951 C TYR J 135 51.299 99.943 98.028 1.00 23.14 C +ATOM 18952 O TYR J 135 51.246 99.297 96.984 1.00 20.95 O +ATOM 18953 CB TYR J 135 49.913 98.086 99.023 1.00 21.06 C +ATOM 18954 CG TYR J 135 49.117 97.501 100.198 1.00 22.17 C +ATOM 18955 CD1 TYR J 135 49.742 96.845 101.261 1.00 22.62 C +ATOM 18956 CD2 TYR J 135 47.753 97.608 100.229 1.00 23.32 C +ATOM 18957 CE1 TYR J 135 49.000 96.325 102.318 1.00 26.03 C +ATOM 18958 CE2 TYR J 135 47.027 97.116 101.266 1.00 23.24 C +ATOM 18959 CZ TYR J 135 47.635 96.457 102.294 1.00 22.81 C +ATOM 18960 OH TYR J 135 46.827 95.968 103.288 1.00 23.85 O +ATOM 18961 N PRO J 136 52.080 101.046 98.165 1.00 24.59 N +ATOM 18962 CA PRO J 136 52.851 101.600 97.027 1.00 25.79 C +ATOM 18963 C PRO J 136 53.845 100.658 96.362 1.00 25.49 C +ATOM 18964 O PRO J 136 54.160 100.860 95.208 1.00 26.80 O +ATOM 18965 CB PRO J 136 53.580 102.829 97.622 1.00 26.34 C +ATOM 18966 CG PRO J 136 53.497 102.678 99.088 1.00 27.12 C +ATOM 18967 CD PRO J 136 52.262 101.843 99.387 1.00 25.86 C +ATOM 18968 N ASP J 137 54.279 99.624 97.072 1.00 25.73 N +ATOM 18969 CA ASP J 137 55.262 98.657 96.565 1.00 25.83 C +ATOM 18970 C ASP J 137 54.631 97.413 95.967 1.00 24.33 C +ATOM 18971 O ASP J 137 55.339 96.489 95.607 1.00 23.43 O +ATOM 18972 CB ASP J 137 56.244 98.257 97.677 1.00 26.30 C +ATOM 18973 CG ASP J 137 55.553 97.628 98.908 1.00 33.96 C +ATOM 18974 OD1 ASP J 137 54.330 97.786 99.099 1.00 30.35 O +ATOM 18975 OD2 ASP J 137 56.266 96.979 99.712 1.00 42.83 O +ATOM 18976 N PHE J 138 53.297 97.403 95.846 1.00 23.24 N +ATOM 18977 CA PHE J 138 52.523 96.245 95.395 1.00 21.36 C +ATOM 18978 C PHE J 138 51.857 96.606 94.057 1.00 21.41 C +ATOM 18979 O PHE J 138 50.995 97.482 93.970 1.00 21.94 O +ATOM 18980 CB PHE J 138 51.461 95.885 96.470 1.00 23.23 C +ATOM 18981 CG PHE J 138 50.865 94.498 96.338 1.00 21.88 C +ATOM 18982 CD1 PHE J 138 49.841 94.231 95.437 1.00 31.70 C +ATOM 18983 CD2 PHE J 138 51.284 93.454 97.151 1.00 27.98 C +ATOM 18984 CE1 PHE J 138 49.272 92.944 95.330 1.00 28.52 C +ATOM 18985 CE2 PHE J 138 50.711 92.168 97.043 1.00 22.31 C +ATOM 18986 CZ PHE J 138 49.709 91.926 96.132 1.00 23.37 C +ATOM 18987 N LEU J 139 52.250 95.896 93.024 1.00 21.68 N +ATOM 18988 CA LEU J 139 51.756 96.090 91.692 1.00 21.84 C +ATOM 18989 C LEU J 139 50.492 95.262 91.429 1.00 21.31 C +ATOM 18990 O LEU J 139 50.541 94.044 91.448 1.00 22.35 O +ATOM 18991 CB LEU J 139 52.848 95.650 90.707 1.00 21.97 C +ATOM 18992 CG LEU J 139 52.585 95.785 89.188 1.00 25.52 C +ATOM 18993 CD1 LEU J 139 52.240 97.196 88.785 1.00 18.98 C +ATOM 18994 CD2 LEU J 139 53.792 95.292 88.411 1.00 21.18 C +ATOM 18995 N ILE J 140 49.380 95.923 91.143 1.00 19.76 N +ATOM 18996 CA ILE J 140 48.175 95.239 90.727 1.00 19.40 C +ATOM 18997 C ILE J 140 47.823 95.667 89.287 1.00 19.26 C +ATOM 18998 O ILE J 140 47.751 96.863 89.004 1.00 19.46 O +ATOM 18999 CB ILE J 140 46.952 95.547 91.672 1.00 20.79 C +ATOM 19000 CG1 ILE J 140 47.361 95.453 93.140 1.00 22.40 C +ATOM 19001 CG2 ILE J 140 45.792 94.589 91.346 1.00 15.96 C +ATOM 19002 CD1 ILE J 140 46.179 95.603 94.148 1.00 19.88 C +ATOM 19003 N ALA J 141 47.671 94.679 88.406 1.00 19.19 N +ATOM 19004 CA ALA J 141 47.144 94.821 87.053 1.00 18.47 C +ATOM 19005 C ALA J 141 45.789 94.112 86.980 1.00 18.04 C +ATOM 19006 O ALA J 141 45.496 93.259 87.796 1.00 18.65 O +ATOM 19007 CB ALA J 141 48.094 94.213 86.062 1.00 14.33 C +ATOM 19008 N ALA J 142 44.979 94.473 85.997 1.00 17.71 N +ATOM 19009 CA ALA J 142 43.642 93.894 85.780 1.00 17.95 C +ATOM 19010 C ALA J 142 43.358 93.685 84.284 1.00 19.01 C +ATOM 19011 O ALA J 142 43.689 94.524 83.453 1.00 19.33 O +ATOM 19012 CB ALA J 142 42.570 94.806 86.385 1.00 14.70 C +ATOM 19013 N ALA J 143 42.725 92.563 83.950 1.00 19.84 N +ATOM 19014 CA ALA J 143 42.354 92.277 82.574 1.00 20.59 C +ATOM 19015 C ALA J 143 41.110 91.407 82.536 1.00 20.74 C +ATOM 19016 O ALA J 143 40.932 90.565 83.411 1.00 19.56 O +ATOM 19017 CB ALA J 143 43.529 91.575 81.855 1.00 20.20 C +ATOM 19018 N ASN J 144 40.239 91.633 81.544 1.00 20.95 N +ATOM 19019 CA ASN J 144 39.262 90.621 81.133 1.00 21.50 C +ATOM 19020 C ASN J 144 39.912 89.633 80.168 1.00 21.39 C +ATOM 19021 O ASN J 144 40.559 90.037 79.186 1.00 21.71 O +ATOM 19022 CB ASN J 144 38.050 91.268 80.479 1.00 23.03 C +ATOM 19023 CG ASN J 144 37.241 92.121 81.456 1.00 26.14 C +ATOM 19024 OD1 ASN J 144 36.886 91.686 82.553 1.00 26.87 O +ATOM 19025 ND2 ASN J 144 36.946 93.322 81.056 1.00 20.31 N +ATOM 19026 N TRP J 145 39.766 88.343 80.412 1.00 19.49 N +ATOM 19027 CA TRP J 145 40.431 87.389 79.530 1.00 20.55 C +ATOM 19028 C TRP J 145 39.963 87.502 78.082 1.00 20.60 C +ATOM 19029 O TRP J 145 40.722 87.158 77.166 1.00 20.83 O +ATOM 19030 CB TRP J 145 40.264 85.941 80.023 1.00 18.95 C +ATOM 19031 CG TRP J 145 38.868 85.388 79.862 1.00 18.33 C +ATOM 19032 CD1 TRP J 145 37.899 85.355 80.809 1.00 21.23 C +ATOM 19033 CD2 TRP J 145 38.297 84.774 78.687 1.00 22.17 C +ATOM 19034 NE1 TRP J 145 36.760 84.769 80.311 1.00 22.01 N +ATOM 19035 CE2 TRP J 145 36.972 84.426 79.003 1.00 18.56 C +ATOM 19036 CE3 TRP J 145 38.770 84.524 77.384 1.00 18.62 C +ATOM 19037 CZ2 TRP J 145 36.128 83.814 78.081 1.00 22.16 C +ATOM 19038 CZ3 TRP J 145 37.944 83.918 76.489 1.00 19.24 C +ATOM 19039 CH2 TRP J 145 36.640 83.565 76.829 1.00 21.23 C +ATOM 19040 N PHE J 146 38.691 87.889 77.895 1.00 21.30 N +ATOM 19041 CA PHE J 146 38.064 87.950 76.569 1.00 21.22 C +ATOM 19042 C PHE J 146 38.367 89.266 75.816 1.00 21.90 C +ATOM 19043 O PHE J 146 37.889 89.469 74.707 1.00 23.84 O +ATOM 19044 CB PHE J 146 36.563 87.742 76.680 1.00 22.20 C +ATOM 19045 CG PHE J 146 35.910 88.647 77.674 1.00 22.15 C +ATOM 19046 CD1 PHE J 146 35.609 89.952 77.344 1.00 22.08 C +ATOM 19047 CD2 PHE J 146 35.629 88.198 78.955 1.00 24.80 C +ATOM 19048 CE1 PHE J 146 35.026 90.792 78.258 1.00 26.66 C +ATOM 19049 CE2 PHE J 146 35.040 89.027 79.868 1.00 24.98 C +ATOM 19050 CZ PHE J 146 34.738 90.332 79.523 1.00 28.00 C +ATOM 19051 N GLU J 147 39.145 90.159 76.425 1.00 21.55 N +ATOM 19052 CA GLU J 147 39.655 91.330 75.737 1.00 21.42 C +ATOM 19053 C GLU J 147 41.134 91.223 75.417 1.00 22.09 C +ATOM 19054 O GLU J 147 41.672 92.114 74.798 1.00 24.13 O +ATOM 19055 CB GLU J 147 39.419 92.560 76.565 1.00 20.85 C +ATOM 19056 CG GLU J 147 37.959 92.842 76.682 1.00 23.95 C +ATOM 19057 CD GLU J 147 37.595 93.939 77.646 1.00 26.64 C +ATOM 19058 OE1 GLU J 147 38.409 94.311 78.547 1.00 29.35 O +ATOM 19059 OE2 GLU J 147 36.440 94.385 77.519 1.00 32.37 O +ATOM 19060 N VAL J 148 41.808 90.166 75.859 1.00 23.23 N +ATOM 19061 CA VAL J 148 43.253 90.007 75.563 1.00 22.54 C +ATOM 19062 C VAL J 148 43.465 89.846 74.047 1.00 23.79 C +ATOM 19063 O VAL J 148 44.403 90.404 73.485 1.00 23.43 O +ATOM 19064 CB VAL J 148 43.861 88.829 76.348 1.00 24.27 C +ATOM 19065 CG1 VAL J 148 45.209 88.360 75.739 1.00 17.77 C +ATOM 19066 CG2 VAL J 148 43.952 89.211 77.819 1.00 17.41 C +ATOM 19067 N VAL J 149 42.576 89.119 73.387 1.00 23.70 N +ATOM 19068 CA VAL J 149 42.586 89.009 71.918 1.00 23.19 C +ATOM 19069 C VAL J 149 41.164 89.245 71.460 1.00 24.16 C +ATOM 19070 O VAL J 149 40.237 88.678 72.024 1.00 23.95 O +ATOM 19071 CB VAL J 149 43.133 87.617 71.456 1.00 24.49 C +ATOM 19072 CG1 VAL J 149 42.845 87.365 69.962 1.00 25.00 C +ATOM 19073 CG2 VAL J 149 44.664 87.520 71.778 1.00 20.54 C +ATOM 19074 N SER J 150 40.989 90.105 70.465 1.00 26.67 N +ATOM 19075 CA SER J 150 39.653 90.383 69.937 1.00 29.52 C +ATOM 19076 C SER J 150 39.045 89.120 69.348 1.00 29.65 C +ATOM 19077 O SER J 150 39.725 88.379 68.641 1.00 29.30 O +ATOM 19078 CB SER J 150 39.714 91.448 68.838 1.00 31.30 C +ATOM 19079 OG SER J 150 38.523 91.437 68.078 1.00 36.93 O +ATOM 19080 N PRO J 151 37.761 88.878 69.642 1.00 31.72 N +ATOM 19081 CA PRO J 151 37.071 87.744 69.045 1.00 32.64 C +ATOM 19082 C PRO J 151 36.775 87.865 67.553 1.00 34.36 C +ATOM 19083 O PRO J 151 36.560 86.836 66.908 1.00 34.77 O +ATOM 19084 CB PRO J 151 35.792 87.639 69.866 1.00 32.73 C +ATOM 19085 CG PRO J 151 35.576 88.980 70.430 1.00 33.11 C +ATOM 19086 CD PRO J 151 36.899 89.627 70.574 1.00 33.08 C +ATOM 19087 N LYS J 152 36.778 89.066 66.971 1.00 35.80 N +ATOM 19088 CA LYS J 152 36.518 89.169 65.521 1.00 36.66 C +ATOM 19089 C LYS J 152 37.486 88.252 64.772 1.00 35.80 C +ATOM 19090 O LYS J 152 38.665 88.200 65.062 1.00 38.45 O +ATOM 19091 CB LYS J 152 36.623 90.619 65.016 1.00 37.70 C +ATOM 19092 N GLY J 153 36.974 87.488 63.826 1.00 36.56 N +ATOM 19093 CA GLY J 153 37.803 86.525 63.109 1.00 34.52 C +ATOM 19094 C GLY J 153 37.807 85.144 63.744 1.00 34.22 C +ATOM 19095 O GLY J 153 38.169 84.149 63.073 1.00 33.50 O +ATOM 19096 N TYR J 154 37.405 85.044 65.026 1.00 29.13 N +ATOM 19097 CA TYR J 154 37.374 83.728 65.680 1.00 26.44 C +ATOM 19098 C TYR J 154 35.997 83.131 65.726 1.00 25.18 C +ATOM 19099 O TYR J 154 35.857 81.892 65.729 1.00 26.45 O +ATOM 19100 CB TYR J 154 38.001 83.797 67.064 1.00 27.52 C +ATOM 19101 CG TYR J 154 39.484 84.065 67.005 1.00 22.11 C +ATOM 19102 CD1 TYR J 154 40.410 83.021 66.982 1.00 22.60 C +ATOM 19103 CD2 TYR J 154 39.966 85.371 66.991 1.00 24.47 C +ATOM 19104 CE1 TYR J 154 41.777 83.272 66.937 1.00 22.54 C +ATOM 19105 CE2 TYR J 154 41.328 85.633 66.958 1.00 23.89 C +ATOM 19106 CZ TYR J 154 42.229 84.585 66.943 1.00 23.43 C +ATOM 19107 OH TYR J 154 43.570 84.884 66.871 1.00 24.95 O +ATOM 19108 N PHE J 155 34.981 84.005 65.718 1.00 25.42 N +ATOM 19109 CA PHE J 155 33.581 83.610 65.841 1.00 26.82 C +ATOM 19110 C PHE J 155 32.680 84.347 64.817 1.00 29.36 C +ATOM 19111 O PHE J 155 33.033 85.421 64.358 1.00 30.96 O +ATOM 19112 CB PHE J 155 33.116 83.882 67.285 1.00 27.93 C +ATOM 19113 CG PHE J 155 34.036 83.294 68.318 1.00 23.11 C +ATOM 19114 CD1 PHE J 155 34.010 81.952 68.581 1.00 18.22 C +ATOM 19115 CD2 PHE J 155 34.977 84.079 68.958 1.00 27.19 C +ATOM 19116 CE1 PHE J 155 34.877 81.386 69.504 1.00 22.07 C +ATOM 19117 CE2 PHE J 155 35.868 83.515 69.877 1.00 23.34 C +ATOM 19118 CZ PHE J 155 35.807 82.170 70.141 1.00 23.37 C +ATOM 19119 N GLU J 156 31.533 83.737 64.493 1.00 31.60 N +ATOM 19120 CA GLU J 156 30.561 84.228 63.490 1.00 32.84 C +ATOM 19121 C GLU J 156 29.469 85.149 63.980 1.00 33.82 C +ATOM 19122 O GLU J 156 29.002 85.989 63.230 1.00 34.63 O +ATOM 19123 CB GLU J 156 29.731 83.087 62.924 1.00 30.20 C +ATOM 19124 CG GLU J 156 30.432 81.987 62.317 1.00 37.40 C +ATOM 19125 CD GLU J 156 29.492 81.116 61.524 1.00 31.79 C +ATOM 19126 OE1 GLU J 156 28.285 81.473 61.376 1.00 34.42 O +ATOM 19127 OE2 GLU J 156 29.973 80.074 61.059 1.00 40.34 O +ATOM 19128 N ALA J 157 28.959 84.877 65.170 1.00 34.78 N +ATOM 19129 CA ALA J 157 27.792 85.580 65.683 1.00 34.67 C +ATOM 19130 C ALA J 157 27.962 87.088 65.681 1.00 35.45 C +ATOM 19131 O ALA J 157 29.017 87.613 65.960 1.00 35.31 O +ATOM 19132 CB ALA J 157 27.405 85.079 67.100 1.00 34.05 C +ATOM 19133 N GLU J 158 26.882 87.763 65.331 1.00 37.44 N +ATOM 19134 CA GLU J 158 26.796 89.225 65.307 1.00 40.86 C +ATOM 19135 C GLU J 158 26.918 89.869 66.672 1.00 37.94 C +ATOM 19136 O GLU J 158 27.699 90.804 66.895 1.00 38.50 O +ATOM 19137 CB GLU J 158 25.391 89.587 64.771 1.00 43.47 C +ATOM 19138 CG GLU J 158 25.262 89.776 63.257 1.00 51.62 C +ATOM 19139 CD GLU J 158 24.958 91.218 62.914 1.00 60.14 C +ATOM 19140 OE1 GLU J 158 23.787 91.629 63.071 1.00 75.56 O +ATOM 19141 OE2 GLU J 158 25.884 91.954 62.518 1.00 61.63 O +ATOM 19142 N ILE J 159 26.074 89.380 67.567 1.00 35.39 N +ATOM 19143 CA ILE J 159 26.083 89.768 68.977 1.00 34.04 C +ATOM 19144 C ILE J 159 26.635 88.619 69.814 1.00 32.64 C +ATOM 19145 O ILE J 159 26.255 87.451 69.626 1.00 30.71 O +ATOM 19146 CB ILE J 159 24.673 90.174 69.499 1.00 33.99 C +ATOM 19147 CG1 ILE J 159 24.155 91.396 68.735 1.00 32.74 C +ATOM 19148 CG2 ILE J 159 24.721 90.514 71.023 1.00 29.95 C +ATOM 19149 CD1 ILE J 159 22.689 91.518 68.750 1.00 35.41 C +ATOM 19150 N ASP J 160 27.555 88.963 70.712 1.00 30.95 N +ATOM 19151 CA ASP J 160 28.250 87.985 71.528 1.00 32.51 C +ATOM 19152 C ASP J 160 28.684 88.643 72.839 1.00 31.98 C +ATOM 19153 O ASP J 160 29.859 88.834 73.093 1.00 32.65 O +ATOM 19154 CB ASP J 160 29.449 87.432 70.752 1.00 32.25 C +ATOM 19155 CG ASP J 160 30.087 86.229 71.420 1.00 38.00 C +ATOM 19156 OD1 ASP J 160 29.704 85.892 72.560 1.00 37.36 O +ATOM 19157 OD2 ASP J 160 31.000 85.631 70.796 1.00 42.58 O +ATOM 19158 N ASP J 161 27.717 89.020 73.660 1.00 31.29 N +ATOM 19159 CA ASP J 161 28.012 89.786 74.870 1.00 30.58 C +ATOM 19160 C ASP J 161 28.046 88.924 76.114 1.00 29.38 C +ATOM 19161 O ASP J 161 28.825 89.174 77.020 1.00 30.20 O +ATOM 19162 CB ASP J 161 27.000 90.933 75.063 1.00 32.54 C +ATOM 19163 CG ASP J 161 27.242 92.114 74.109 1.00 36.01 C +ATOM 19164 OD1 ASP J 161 28.304 92.152 73.438 1.00 42.87 O +ATOM 19165 OD2 ASP J 161 26.361 93.010 74.051 1.00 43.23 O +ATOM 19166 N HIS J 162 27.213 87.898 76.163 1.00 26.18 N +ATOM 19167 CA HIS J 162 27.142 87.097 77.356 1.00 23.92 C +ATOM 19168 C HIS J 162 26.583 85.719 77.042 1.00 22.19 C +ATOM 19169 O HIS J 162 25.517 85.607 76.475 1.00 20.75 O +ATOM 19170 CB HIS J 162 26.319 87.843 78.435 1.00 23.95 C +ATOM 19171 CG HIS J 162 25.891 86.972 79.583 1.00 22.90 C +ATOM 19172 ND1 HIS J 162 26.762 86.521 80.545 1.00 22.73 N +ATOM 19173 CD2 HIS J 162 24.683 86.465 79.907 1.00 20.80 C +ATOM 19174 CE1 HIS J 162 26.102 85.781 81.420 1.00 26.33 C +ATOM 19175 NE2 HIS J 162 24.840 85.722 81.049 1.00 17.67 N +ATOM 19176 N ALA J 163 27.335 84.684 77.410 1.00 20.96 N +ATOM 19177 CA ALA J 163 26.929 83.281 77.222 1.00 21.55 C +ATOM 19178 C ALA J 163 26.777 82.963 75.725 1.00 23.46 C +ATOM 19179 O ALA J 163 25.994 82.086 75.351 1.00 23.71 O +ATOM 19180 CB ALA J 163 25.656 83.008 77.984 1.00 17.98 C +ATOM 19181 N GLY J 164 27.521 83.701 74.886 1.00 23.63 N +ATOM 19182 CA GLY J 164 27.403 83.599 73.437 1.00 24.07 C +ATOM 19183 C GLY J 164 28.372 82.595 72.833 1.00 23.45 C +ATOM 19184 O GLY J 164 28.728 81.590 73.461 1.00 23.57 O +ATOM 19185 N GLU J 165 28.782 82.852 71.597 1.00 22.84 N +ATOM 19186 CA GLU J 165 29.595 81.902 70.844 1.00 22.81 C +ATOM 19187 C GLU J 165 31.011 81.762 71.444 1.00 22.44 C +ATOM 19188 O GLU J 165 31.518 80.649 71.588 1.00 22.89 O +ATOM 19189 CB GLU J 165 29.646 82.305 69.355 1.00 22.91 C +ATOM 19190 CG GLU J 165 29.975 81.186 68.366 1.00 24.21 C +ATOM 19191 CD GLU J 165 30.058 81.712 66.920 1.00 24.37 C +ATOM 19192 OE1 GLU J 165 29.085 82.341 66.476 1.00 22.98 O +ATOM 19193 OE2 GLU J 165 31.097 81.511 66.240 1.00 22.95 O +ATOM 19194 N SER J 166 31.645 82.877 71.804 1.00 22.64 N +ATOM 19195 CA SER J 166 32.995 82.813 72.363 1.00 23.09 C +ATOM 19196 C SER J 166 33.063 82.071 73.721 1.00 23.09 C +ATOM 19197 O SER J 166 33.913 81.194 73.915 1.00 24.83 O +ATOM 19198 CB SER J 166 33.618 84.201 72.466 1.00 22.54 C +ATOM 19199 OG SER J 166 32.878 85.058 73.283 1.00 27.69 O +ATOM 19200 N GLU J 167 32.158 82.407 74.643 1.00 23.77 N +ATOM 19201 CA GLU J 167 32.127 81.771 75.946 1.00 22.95 C +ATOM 19202 C GLU J 167 31.772 80.305 75.793 1.00 21.22 C +ATOM 19203 O GLU J 167 32.317 79.436 76.494 1.00 20.80 O +ATOM 19204 CB GLU J 167 31.119 82.459 76.907 1.00 22.45 C +ATOM 19205 CG GLU J 167 31.753 83.450 77.814 1.00 24.04 C +ATOM 19206 CD GLU J 167 30.838 83.975 78.896 1.00 26.60 C +ATOM 19207 OE1 GLU J 167 29.600 84.148 78.676 1.00 19.71 O +ATOM 19208 OE2 GLU J 167 31.387 84.249 79.981 1.00 20.16 O +ATOM 19209 N THR J 168 30.809 80.038 74.916 1.00 20.58 N +ATOM 19210 CA THR J 168 30.328 78.684 74.697 1.00 20.02 C +ATOM 19211 C THR J 168 31.437 77.820 74.093 1.00 20.79 C +ATOM 19212 O THR J 168 31.632 76.670 74.516 1.00 22.34 O +ATOM 19213 CB THR J 168 29.060 78.663 73.830 1.00 19.15 C +ATOM 19214 OG1 THR J 168 28.047 79.447 74.466 1.00 19.45 O +ATOM 19215 CG2 THR J 168 28.531 77.244 73.655 1.00 17.77 C +ATOM 19216 N SER J 169 32.201 78.393 73.159 1.00 20.92 N +ATOM 19217 CA SER J 169 33.245 77.654 72.455 1.00 20.43 C +ATOM 19218 C SER J 169 34.418 77.317 73.384 1.00 21.08 C +ATOM 19219 O SER J 169 34.980 76.229 73.334 1.00 21.15 O +ATOM 19220 CB SER J 169 33.733 78.472 71.238 1.00 20.01 C +ATOM 19221 OG SER J 169 32.745 78.610 70.198 1.00 18.14 O +ATOM 19222 N VAL J 170 34.819 78.273 74.202 1.00 21.55 N +ATOM 19223 CA VAL J 170 35.913 78.074 75.146 1.00 20.00 C +ATOM 19224 C VAL J 170 35.509 77.063 76.232 1.00 20.62 C +ATOM 19225 O VAL J 170 36.330 76.230 76.634 1.00 22.87 O +ATOM 19226 CB VAL J 170 36.408 79.431 75.737 1.00 21.58 C +ATOM 19227 CG1 VAL J 170 37.540 79.181 76.687 1.00 18.39 C +ATOM 19228 CG2 VAL J 170 36.842 80.409 74.589 1.00 14.86 C +HETATM19229 N MSE J 171 34.254 77.081 76.681 1.00 20.12 N +HETATM19230 CA MSE J 171 33.780 76.083 77.651 1.00 20.26 C +HETATM19231 C MSE J 171 33.733 74.700 77.024 1.00 21.33 C +HETATM19232 O MSE J 171 34.028 73.719 77.665 1.00 21.29 O +HETATM19233 CB MSE J 171 32.382 76.451 78.211 1.00 20.21 C +HETATM19234 CG MSE J 171 31.896 75.537 79.331 1.00 21.59 C +HETATM19235 SE MSE J 171 33.074 75.622 80.978 0.75 19.35 SE +HETATM19236 CE MSE J 171 32.405 77.389 81.691 1.00 15.41 C +HETATM19237 N MSE J 172 33.305 74.610 75.764 1.00 22.12 N +HETATM19238 CA MSE J 172 33.290 73.321 75.065 1.00 21.74 C +HETATM19239 C MSE J 172 34.661 72.716 74.923 1.00 22.07 C +HETATM19240 O MSE J 172 34.786 71.492 74.930 1.00 23.72 O +HETATM19241 CB MSE J 172 32.677 73.481 73.683 1.00 21.51 C +HETATM19242 CG MSE J 172 31.170 73.683 73.737 1.00 24.24 C +HETATM19243 SE MSE J 172 30.423 74.154 71.995 0.75 23.03 SE +HETATM19244 CE MSE J 172 30.185 72.347 71.293 1.00 22.92 C +ATOM 19245 N HIS J 173 35.660 73.579 74.780 1.00 21.68 N +ATOM 19246 CA HIS J 173 37.065 73.212 74.791 1.00 21.87 C +ATOM 19247 C HIS J 173 37.544 72.730 76.167 1.00 23.12 C +ATOM 19248 O HIS J 173 37.932 71.572 76.326 1.00 23.29 O +ATOM 19249 CB HIS J 173 37.925 74.385 74.289 1.00 20.57 C +ATOM 19250 CG HIS J 173 39.401 74.155 74.417 1.00 24.17 C +ATOM 19251 ND1 HIS J 173 40.038 73.071 73.848 1.00 27.88 N +ATOM 19252 CD2 HIS J 173 40.372 74.891 75.016 1.00 23.17 C +ATOM 19253 CE1 HIS J 173 41.334 73.134 74.116 1.00 26.60 C +ATOM 19254 NE2 HIS J 173 41.567 74.239 74.809 1.00 25.42 N +ATOM 19255 N TYR J 174 37.481 73.601 77.165 1.00 22.62 N +ATOM 19256 CA TYR J 174 37.975 73.274 78.486 1.00 21.70 C +ATOM 19257 C TYR J 174 37.132 72.231 79.231 1.00 20.76 C +ATOM 19258 O TYR J 174 37.692 71.344 79.866 1.00 19.59 O +ATOM 19259 CB TYR J 174 38.139 74.556 79.326 1.00 20.55 C +ATOM 19260 CG TYR J 174 39.352 75.384 78.979 1.00 21.55 C +ATOM 19261 CD1 TYR J 174 40.611 74.807 78.918 1.00 22.06 C +ATOM 19262 CD2 TYR J 174 39.240 76.743 78.718 1.00 20.78 C +ATOM 19263 CE1 TYR J 174 41.732 75.555 78.616 1.00 23.41 C +ATOM 19264 CE2 TYR J 174 40.354 77.503 78.403 1.00 23.26 C +ATOM 19265 CZ TYR J 174 41.602 76.895 78.364 1.00 24.81 C +ATOM 19266 OH TYR J 174 42.713 77.626 78.102 1.00 18.78 O +ATOM 19267 N HIS J 175 35.805 72.314 79.141 1.00 22.04 N +ATOM 19268 CA HIS J 175 34.915 71.459 79.922 1.00 22.22 C +ATOM 19269 C HIS J 175 33.679 71.022 79.158 1.00 23.40 C +ATOM 19270 O HIS J 175 32.538 71.457 79.470 1.00 23.44 O +ATOM 19271 CB HIS J 175 34.484 72.162 81.210 1.00 22.28 C +ATOM 19272 CG HIS J 175 35.612 72.410 82.146 1.00 22.15 C +ATOM 19273 ND1 HIS J 175 36.049 71.471 83.049 1.00 22.11 N +ATOM 19274 CD2 HIS J 175 36.407 73.494 82.308 1.00 24.54 C +ATOM 19275 CE1 HIS J 175 37.076 71.962 83.718 1.00 27.65 C +ATOM 19276 NE2 HIS J 175 37.307 73.192 83.294 1.00 23.75 N +ATOM 19277 N PRO J 176 33.890 70.140 78.166 1.00 25.10 N +ATOM 19278 CA PRO J 176 32.811 69.607 77.340 1.00 26.13 C +ATOM 19279 C PRO J 176 31.649 68.993 78.139 1.00 26.05 C +ATOM 19280 O PRO J 176 30.501 69.120 77.758 1.00 27.31 O +ATOM 19281 CB PRO J 176 33.519 68.556 76.453 1.00 26.40 C +ATOM 19282 CG PRO J 176 34.907 68.485 76.909 1.00 23.88 C +ATOM 19283 CD PRO J 176 35.221 69.648 77.752 1.00 24.33 C +ATOM 19284 N GLU J 177 31.983 68.374 79.262 1.00 27.47 N +ATOM 19285 CA GLU J 177 31.044 67.767 80.188 1.00 27.59 C +ATOM 19286 C GLU J 177 30.133 68.756 80.947 1.00 27.38 C +ATOM 19287 O GLU J 177 29.120 68.361 81.528 1.00 26.45 O +ATOM 19288 CB GLU J 177 31.853 66.956 81.211 1.00 30.09 C +ATOM 19289 CG GLU J 177 32.538 67.759 82.366 1.00 32.50 C +ATOM 19290 CD GLU J 177 33.887 68.405 82.055 1.00 33.85 C +ATOM 19291 OE1 GLU J 177 34.397 68.320 80.903 1.00 28.98 O +ATOM 19292 OE2 GLU J 177 34.427 69.032 83.007 1.00 34.05 O +ATOM 19293 N LEU J 178 30.503 70.034 80.950 1.00 26.67 N +ATOM 19294 CA LEU J 178 29.731 71.074 81.641 1.00 25.62 C +ATOM 19295 C LEU J 178 28.732 71.812 80.742 1.00 26.62 C +ATOM 19296 O LEU J 178 27.908 72.559 81.239 1.00 28.55 O +ATOM 19297 CB LEU J 178 30.685 72.073 82.316 1.00 23.77 C +ATOM 19298 CG LEU J 178 31.476 71.582 83.540 1.00 26.14 C +ATOM 19299 CD1 LEU J 178 32.076 72.764 84.237 1.00 23.44 C +ATOM 19300 CD2 LEU J 178 30.637 70.804 84.541 1.00 26.03 C +ATOM 19301 N VAL J 179 28.781 71.608 79.431 1.00 26.78 N +ATOM 19302 CA VAL J 179 27.883 72.325 78.527 1.00 26.96 C +ATOM 19303 C VAL J 179 27.340 71.404 77.453 1.00 28.08 C +ATOM 19304 O VAL J 179 28.086 70.663 76.856 1.00 28.11 O +ATOM 19305 CB VAL J 179 28.532 73.581 77.854 1.00 28.37 C +ATOM 19306 CG1 VAL J 179 29.893 73.270 77.226 1.00 26.30 C +ATOM 19307 CG2 VAL J 179 27.567 74.178 76.801 1.00 26.87 C +ATOM 19308 N ASN J 180 26.019 71.440 77.281 1.00 29.01 N +ATOM 19309 CA ASN J 180 25.325 70.783 76.195 1.00 28.56 C +ATOM 19310 C ASN J 180 24.712 71.826 75.277 1.00 27.55 C +ATOM 19311 O ASN J 180 23.668 72.409 75.585 1.00 26.72 O +ATOM 19312 CB ASN J 180 24.216 69.896 76.748 1.00 31.67 C +ATOM 19313 CG ASN J 180 24.755 68.741 77.585 1.00 36.10 C +ATOM 19314 OD1 ASN J 180 25.746 68.102 77.217 1.00 36.06 O +ATOM 19315 ND2 ASN J 180 24.097 68.468 78.713 1.00 31.39 N +ATOM 19316 N LEU J 181 25.357 72.038 74.140 1.00 26.74 N +ATOM 19317 CA LEU J 181 24.964 73.083 73.220 1.00 27.28 C +ATOM 19318 C LEU J 181 23.503 72.954 72.767 1.00 27.19 C +ATOM 19319 O LEU J 181 22.848 73.954 72.549 1.00 26.73 O +ATOM 19320 CB LEU J 181 25.924 73.123 72.015 1.00 27.98 C +ATOM 19321 CG LEU J 181 25.847 74.319 71.055 1.00 28.76 C +ATOM 19322 CD1 LEU J 181 26.064 75.649 71.790 1.00 23.61 C +ATOM 19323 CD2 LEU J 181 26.876 74.126 69.950 1.00 27.56 C +ATOM 19324 N ALA J 182 22.986 71.727 72.690 1.00 28.14 N +ATOM 19325 CA ALA J 182 21.603 71.483 72.268 1.00 28.91 C +ATOM 19326 C ALA J 182 20.534 72.112 73.171 1.00 29.78 C +ATOM 19327 O ALA J 182 19.402 72.282 72.734 1.00 30.32 O +ATOM 19328 CB ALA J 182 21.372 69.983 72.146 1.00 28.25 C +ATOM 19329 N GLU J 183 20.892 72.457 74.408 1.00 30.53 N +ATOM 19330 CA GLU J 183 19.945 73.048 75.381 1.00 31.57 C +ATOM 19331 C GLU J 183 19.926 74.577 75.341 1.00 27.98 C +ATOM 19332 O GLU J 183 19.110 75.200 76.027 1.00 27.42 O +ATOM 19333 CB GLU J 183 20.279 72.594 76.811 1.00 31.18 C +ATOM 19334 CG GLU J 183 20.501 71.096 76.979 1.00 34.07 C +ATOM 19335 CD GLU J 183 21.097 70.708 78.358 1.00 37.93 C +ATOM 19336 OE1 GLU J 183 21.476 71.602 79.156 1.00 43.24 O +ATOM 19337 OE2 GLU J 183 21.190 69.485 78.640 1.00 44.19 O +ATOM 19338 N ALA J 184 20.819 75.168 74.540 1.00 26.44 N +ATOM 19339 CA ALA J 184 20.929 76.615 74.402 1.00 25.38 C +ATOM 19340 C ALA J 184 19.668 77.203 73.775 1.00 26.27 C +ATOM 19341 O ALA J 184 19.062 76.588 72.886 1.00 26.98 O +ATOM 19342 CB ALA J 184 22.133 76.965 73.547 1.00 22.29 C +ATOM 19343 N GLY J 185 19.291 78.397 74.232 1.00 26.28 N +ATOM 19344 CA GLY J 185 18.338 79.252 73.516 1.00 24.55 C +ATOM 19345 C GLY J 185 19.079 80.167 72.566 1.00 24.83 C +ATOM 19346 O GLY J 185 20.302 80.137 72.495 1.00 24.71 O +ATOM 19347 N ASP J 186 18.352 80.992 71.832 1.00 25.80 N +ATOM 19348 CA ASP J 186 18.965 81.888 70.829 1.00 28.00 C +ATOM 19349 C ASP J 186 19.700 83.129 71.384 1.00 27.03 C +ATOM 19350 O ASP J 186 20.437 83.783 70.651 1.00 26.67 O +ATOM 19351 CB ASP J 186 17.890 82.349 69.826 1.00 29.32 C +ATOM 19352 CG ASP J 186 17.579 81.295 68.752 1.00 37.84 C +ATOM 19353 OD1 ASP J 186 18.228 80.219 68.714 1.00 48.48 O +ATOM 19354 OD2 ASP J 186 16.679 81.562 67.932 1.00 49.98 O +ATOM 19355 N GLY J 187 19.486 83.451 72.657 1.00 27.02 N +ATOM 19356 CA GLY J 187 20.097 84.608 73.282 1.00 26.63 C +ATOM 19357 C GLY J 187 19.680 85.925 72.655 1.00 26.88 C +ATOM 19358 O GLY J 187 20.494 86.838 72.542 1.00 25.98 O +ATOM 19359 N GLU J 188 18.423 86.028 72.225 1.00 27.99 N +ATOM 19360 CA GLU J 188 17.935 87.261 71.586 1.00 30.99 C +ATOM 19361 C GLU J 188 17.876 88.349 72.602 1.00 30.48 C +ATOM 19362 O GLU J 188 17.453 88.113 73.743 1.00 29.98 O +ATOM 19363 CB GLU J 188 16.543 87.089 70.969 1.00 30.60 C +ATOM 19364 CG GLU J 188 16.558 86.202 69.728 1.00 43.54 C +ATOM 19365 CD GLU J 188 15.170 85.759 69.272 1.00 43.70 C +ATOM 19366 OE1 GLU J 188 14.398 86.627 68.785 1.00 66.23 O +ATOM 19367 OE2 GLU J 188 14.868 84.541 69.382 1.00 62.57 O +ATOM 19368 N SER J 189 18.284 89.538 72.186 1.00 31.61 N +ATOM 19369 CA SER J 189 18.318 90.693 73.073 1.00 32.73 C +ATOM 19370 C SER J 189 17.636 91.917 72.461 1.00 33.64 C +ATOM 19371 O SER J 189 17.619 92.074 71.250 1.00 34.70 O +ATOM 19372 CB SER J 189 19.757 91.022 73.424 1.00 32.96 C +ATOM 19373 OG SER J 189 20.521 91.142 72.248 1.00 35.99 O +ATOM 19374 N LYS J 190 17.093 92.779 73.314 1.00 32.40 N +ATOM 19375 CA LYS J 190 16.458 94.042 72.906 1.00 34.65 C +ATOM 19376 C LYS J 190 17.319 95.263 73.258 1.00 31.91 C +ATOM 19377 O LYS J 190 17.870 95.335 74.355 1.00 30.80 O +ATOM 19378 CB LYS J 190 15.101 94.198 73.591 1.00 34.21 C +ATOM 19379 CG LYS J 190 13.978 93.424 72.927 1.00 42.29 C +ATOM 19380 CD LYS J 190 12.597 93.694 73.596 1.00 44.74 C +ATOM 19381 CE LYS J 190 12.097 95.141 73.384 1.00 54.36 C +ATOM 19382 NZ LYS J 190 11.338 95.715 74.540 1.00 54.60 N +ATOM 19383 N PRO J 191 17.410 96.247 72.347 1.00 30.86 N +ATOM 19384 CA PRO J 191 18.168 97.428 72.673 1.00 29.53 C +ATOM 19385 C PRO J 191 17.287 98.391 73.477 1.00 27.21 C +ATOM 19386 O PRO J 191 16.114 98.105 73.720 1.00 26.13 O +ATOM 19387 CB PRO J 191 18.504 97.989 71.302 1.00 29.96 C +ATOM 19388 CG PRO J 191 17.304 97.664 70.499 1.00 32.04 C +ATOM 19389 CD PRO J 191 16.794 96.360 71.009 1.00 31.45 C +ATOM 19390 N PHE J 192 17.859 99.512 73.903 1.00 26.52 N +ATOM 19391 CA PHE J 192 17.101 100.558 74.616 1.00 25.75 C +ATOM 19392 C PHE J 192 16.130 101.269 73.648 1.00 25.87 C +ATOM 19393 O PHE J 192 16.254 101.161 72.431 1.00 25.85 O +ATOM 19394 CB PHE J 192 18.055 101.590 75.214 1.00 25.14 C +ATOM 19395 CG PHE J 192 19.060 101.034 76.200 1.00 23.54 C +ATOM 19396 CD1 PHE J 192 18.644 100.475 77.400 1.00 27.18 C +ATOM 19397 CD2 PHE J 192 20.401 101.173 75.982 1.00 23.94 C +ATOM 19398 CE1 PHE J 192 19.561 100.013 78.343 1.00 25.33 C +ATOM 19399 CE2 PHE J 192 21.346 100.693 76.917 1.00 27.41 C +ATOM 19400 CZ PHE J 192 20.909 100.130 78.107 1.00 24.51 C +ATOM 19401 N ALA J 193 15.176 102.005 74.190 1.00 26.34 N +ATOM 19402 CA ALA J 193 14.311 102.875 73.379 1.00 27.27 C +ATOM 19403 C ALA J 193 14.946 104.256 73.183 1.00 28.28 C +ATOM 19404 O ALA J 193 14.529 104.999 72.302 1.00 29.61 O +ATOM 19405 CB ALA J 193 12.957 102.995 73.991 1.00 24.36 C +ATOM 19406 N ILE J 194 15.980 104.567 73.972 1.00 28.31 N +ATOM 19407 CA ILE J 194 16.769 105.798 73.834 1.00 25.30 C +ATOM 19408 C ILE J 194 17.975 105.565 72.906 1.00 26.43 C +ATOM 19409 O ILE J 194 18.988 104.953 73.268 1.00 26.69 O +ATOM 19410 CB ILE J 194 17.222 106.300 75.192 1.00 25.70 C +ATOM 19411 CG1 ILE J 194 15.994 106.481 76.098 1.00 22.21 C +ATOM 19412 CG2 ILE J 194 18.096 107.600 75.014 1.00 23.18 C +ATOM 19413 CD1 ILE J 194 16.306 106.728 77.606 1.00 24.24 C +ATOM 19414 N ALA J 195 17.852 106.065 71.680 1.00 26.05 N +ATOM 19415 CA ALA J 195 18.786 105.757 70.609 1.00 24.88 C +ATOM 19416 C ALA J 195 20.236 106.123 70.937 1.00 24.48 C +ATOM 19417 O ALA J 195 21.160 105.397 70.605 1.00 25.56 O +ATOM 19418 CB ALA J 195 18.339 106.476 69.334 1.00 26.14 C +ATOM 19419 N SER J 196 20.440 107.260 71.573 1.00 23.94 N +ATOM 19420 CA SER J 196 21.780 107.675 71.991 1.00 24.09 C +ATOM 19421 C SER J 196 22.482 106.685 72.940 1.00 23.43 C +ATOM 19422 O SER J 196 23.713 106.544 72.901 1.00 23.46 O +ATOM 19423 CB SER J 196 21.711 109.065 72.634 1.00 24.90 C +ATOM 19424 OG SER J 196 21.239 110.011 71.697 1.00 25.06 O +ATOM 19425 N LEU J 197 21.713 105.994 73.778 1.00 23.40 N +ATOM 19426 CA LEU J 197 22.300 104.957 74.636 1.00 24.23 C +ATOM 19427 C LEU J 197 22.804 103.782 73.796 1.00 25.26 C +ATOM 19428 O LEU J 197 23.907 103.245 74.053 1.00 26.02 O +ATOM 19429 CB LEU J 197 21.315 104.502 75.702 1.00 23.21 C +ATOM 19430 CG LEU J 197 20.898 105.627 76.656 1.00 21.75 C +ATOM 19431 CD1 LEU J 197 19.926 105.144 77.690 1.00 22.66 C +ATOM 19432 CD2 LEU J 197 22.087 106.262 77.323 1.00 16.76 C +ATOM 19433 N ASN J 198 22.034 103.432 72.766 1.00 26.55 N +ATOM 19434 CA ASN J 198 22.411 102.389 71.802 1.00 27.32 C +ATOM 19435 C ASN J 198 23.625 102.780 70.988 1.00 27.74 C +ATOM 19436 O ASN J 198 24.436 101.923 70.640 1.00 27.72 O +ATOM 19437 CB ASN J 198 21.202 102.020 70.911 1.00 27.29 C +ATOM 19438 CG ASN J 198 20.071 101.374 71.722 1.00 29.34 C +ATOM 19439 OD1 ASN J 198 20.343 100.690 72.720 1.00 25.42 O +ATOM 19440 ND2 ASN J 198 18.807 101.606 71.322 1.00 27.91 N +ATOM 19441 N GLU J 199 23.781 104.080 70.737 1.00 28.69 N +ATOM 19442 CA GLU J 199 24.962 104.613 70.036 1.00 31.05 C +ATOM 19443 C GLU J 199 26.129 104.927 71.002 1.00 30.42 C +ATOM 19444 O GLU J 199 27.192 105.387 70.581 1.00 29.93 O +ATOM 19445 CB GLU J 199 24.575 105.867 69.238 1.00 30.21 C +ATOM 19446 CG GLU J 199 23.595 105.590 68.087 1.00 36.54 C +ATOM 19447 CD GLU J 199 22.672 106.777 67.769 1.00 39.51 C +ATOM 19448 OE1 GLU J 199 22.985 107.940 68.162 1.00 48.25 O +ATOM 19449 OE2 GLU J 199 21.623 106.537 67.115 1.00 54.36 O +ATOM 19450 N LYS J 200 25.924 104.686 72.304 1.00 30.43 N +ATOM 19451 CA LYS J 200 26.969 104.844 73.315 1.00 30.13 C +ATOM 19452 C LYS J 200 27.420 106.314 73.566 1.00 27.92 C +ATOM 19453 O LYS J 200 28.550 106.575 73.982 1.00 27.97 O +ATOM 19454 CB LYS J 200 28.145 103.927 72.982 1.00 31.05 C +ATOM 19455 CG LYS J 200 27.688 102.470 72.856 1.00 36.64 C +ATOM 19456 CD LYS J 200 28.868 101.506 72.730 1.00 39.60 C +ATOM 19457 CE LYS J 200 28.431 100.073 73.027 1.00 50.36 C +ATOM 19458 NZ LYS J 200 29.614 99.141 73.101 1.00 55.28 N +ATOM 19459 N VAL J 201 26.518 107.262 73.337 1.00 25.32 N +ATOM 19460 CA VAL J 201 26.731 108.641 73.756 1.00 24.60 C +ATOM 19461 C VAL J 201 26.938 108.627 75.303 1.00 23.71 C +ATOM 19462 O VAL J 201 27.813 109.285 75.813 1.00 22.53 O +ATOM 19463 CB VAL J 201 25.536 109.533 73.280 1.00 24.18 C +ATOM 19464 CG1 VAL J 201 25.680 111.006 73.730 1.00 20.73 C +ATOM 19465 CG2 VAL J 201 25.420 109.441 71.756 1.00 22.12 C +ATOM 19466 N ALA J 202 26.123 107.834 76.008 1.00 22.70 N +ATOM 19467 CA ALA J 202 26.221 107.633 77.441 1.00 21.13 C +ATOM 19468 C ALA J 202 25.956 106.167 77.749 1.00 22.12 C +ATOM 19469 O ALA J 202 25.423 105.437 76.909 1.00 22.32 O +ATOM 19470 CB ALA J 202 25.244 108.552 78.206 1.00 19.66 C +ATOM 19471 N TRP J 203 26.372 105.732 78.939 1.00 22.15 N +ATOM 19472 CA TRP J 203 26.272 104.332 79.361 1.00 20.67 C +ATOM 19473 C TRP J 203 25.201 104.197 80.424 1.00 20.30 C +ATOM 19474 O TRP J 203 25.165 104.990 81.380 1.00 18.67 O +ATOM 19475 CB TRP J 203 27.628 103.819 79.894 1.00 20.52 C +ATOM 19476 CG TRP J 203 27.592 102.392 80.399 1.00 19.73 C +ATOM 19477 CD1 TRP J 203 27.843 101.243 79.673 1.00 22.65 C +ATOM 19478 CD2 TRP J 203 27.288 101.960 81.736 1.00 21.36 C +ATOM 19479 NE1 TRP J 203 27.718 100.125 80.493 1.00 21.87 N +ATOM 19480 CE2 TRP J 203 27.370 100.534 81.753 1.00 24.07 C +ATOM 19481 CE3 TRP J 203 26.919 102.628 82.921 1.00 20.32 C +ATOM 19482 CZ2 TRP J 203 27.109 99.782 82.907 1.00 22.77 C +ATOM 19483 CZ3 TRP J 203 26.680 101.867 84.068 1.00 20.30 C +ATOM 19484 CH2 TRP J 203 26.763 100.456 84.037 1.00 20.90 C +ATOM 19485 N VAL J 204 24.304 103.229 80.213 1.00 19.77 N +ATOM 19486 CA VAL J 204 23.308 102.775 81.196 1.00 20.12 C +ATOM 19487 C VAL J 204 23.399 101.245 81.198 1.00 21.51 C +ATOM 19488 O VAL J 204 23.637 100.655 80.148 1.00 21.48 O +ATOM 19489 CB VAL J 204 21.850 103.210 80.812 1.00 20.22 C +ATOM 19490 CG1 VAL J 204 20.799 102.530 81.720 1.00 18.86 C +ATOM 19491 CG2 VAL J 204 21.680 104.697 80.836 1.00 17.81 C +ATOM 19492 N PRO J 205 23.233 100.585 82.361 1.00 21.43 N +ATOM 19493 CA PRO J 205 23.281 99.116 82.310 1.00 22.37 C +ATOM 19494 C PRO J 205 22.078 98.515 81.598 1.00 22.56 C +ATOM 19495 O PRO J 205 20.967 98.964 81.783 1.00 23.18 O +ATOM 19496 CB PRO J 205 23.236 98.701 83.798 1.00 21.04 C +ATOM 19497 CG PRO J 205 22.544 99.834 84.479 1.00 20.87 C +ATOM 19498 CD PRO J 205 23.015 101.077 83.738 1.00 22.05 C +ATOM 19499 N ARG J 206 22.316 97.482 80.811 1.00 23.63 N +ATOM 19500 CA ARG J 206 21.257 96.658 80.264 1.00 25.01 C +ATOM 19501 C ARG J 206 20.390 96.102 81.390 1.00 22.42 C +ATOM 19502 O ARG J 206 20.915 95.625 82.386 1.00 21.48 O +ATOM 19503 CB ARG J 206 21.912 95.509 79.488 1.00 25.52 C +ATOM 19504 CG ARG J 206 20.946 94.617 78.756 1.00 31.69 C +ATOM 19505 CD ARG J 206 21.637 93.383 78.142 1.00 33.30 C +ATOM 19506 NE ARG J 206 22.615 93.680 77.091 1.00 38.20 N +ATOM 19507 CZ ARG J 206 22.312 93.956 75.817 1.00 47.33 C +ATOM 19508 NH1 ARG J 206 21.040 94.024 75.396 1.00 45.76 N +ATOM 19509 NH2 ARG J 206 23.291 94.181 74.945 1.00 45.41 N +ATOM 19510 N HIS J 207 19.066 96.159 81.238 1.00 22.64 N +ATOM 19511 CA HIS J 207 18.138 95.532 82.166 1.00 22.35 C +ATOM 19512 C HIS J 207 17.819 94.163 81.578 1.00 24.45 C +ATOM 19513 O HIS J 207 17.253 94.094 80.468 1.00 23.80 O +ATOM 19514 CB HIS J 207 16.843 96.366 82.335 1.00 23.02 C +ATOM 19515 CG HIS J 207 17.060 97.680 83.048 1.00 23.89 C +ATOM 19516 ND1 HIS J 207 16.114 98.255 83.869 1.00 27.25 N +ATOM 19517 CD2 HIS J 207 18.139 98.511 83.080 1.00 19.82 C +ATOM 19518 CE1 HIS J 207 16.593 99.390 84.364 1.00 25.35 C +ATOM 19519 NE2 HIS J 207 17.823 99.563 83.906 1.00 20.63 N +ATOM 19520 N TRP J 208 18.211 93.093 82.283 1.00 24.04 N +ATOM 19521 CA TRP J 208 18.071 91.714 81.790 1.00 24.01 C +ATOM 19522 C TRP J 208 16.623 91.303 81.673 1.00 25.49 C +ATOM 19523 O TRP J 208 16.287 90.463 80.837 1.00 25.17 O +ATOM 19524 CB TRP J 208 18.752 90.704 82.713 1.00 22.60 C +ATOM 19525 CG TRP J 208 19.924 89.999 82.111 1.00 23.94 C +ATOM 19526 CD1 TRP J 208 20.017 88.674 81.801 1.00 24.73 C +ATOM 19527 CD2 TRP J 208 21.182 90.581 81.742 1.00 23.62 C +ATOM 19528 NE1 TRP J 208 21.267 88.381 81.265 1.00 22.38 N +ATOM 19529 CE2 TRP J 208 21.997 89.533 81.210 1.00 24.57 C +ATOM 19530 CE3 TRP J 208 21.708 91.863 81.823 1.00 21.48 C +ATOM 19531 CZ2 TRP J 208 23.305 89.750 80.768 1.00 24.78 C +ATOM 19532 CZ3 TRP J 208 23.011 92.078 81.380 1.00 25.24 C +ATOM 19533 CH2 TRP J 208 23.792 91.033 80.859 1.00 28.36 C +ATOM 19534 N ASP J 209 15.779 91.838 82.556 1.00 25.93 N +ATOM 19535 CA ASP J 209 14.352 91.507 82.532 1.00 28.07 C +ATOM 19536 C ASP J 209 13.653 92.078 81.282 1.00 29.06 C +ATOM 19537 O ASP J 209 12.742 91.468 80.768 1.00 29.43 O +ATOM 19538 CB ASP J 209 13.636 91.905 83.842 1.00 28.22 C +ATOM 19539 CG ASP J 209 13.598 93.425 84.092 1.00 30.37 C +ATOM 19540 OD1 ASP J 209 14.635 94.110 83.940 1.00 28.42 O +ATOM 19541 OD2 ASP J 209 12.511 93.921 84.476 1.00 35.92 O +ATOM 19542 N LYS J 210 14.130 93.213 80.785 1.00 29.45 N +ATOM 19543 CA LYS J 210 13.589 93.849 79.570 1.00 29.97 C +ATOM 19544 C LYS J 210 14.271 93.407 78.275 1.00 29.68 C +ATOM 19545 O LYS J 210 13.641 93.403 77.228 1.00 31.39 O +ATOM 19546 CB LYS J 210 13.751 95.376 79.648 1.00 29.78 C +ATOM 19547 CG LYS J 210 13.199 96.059 80.894 1.00 34.46 C +ATOM 19548 CD LYS J 210 11.722 95.781 81.093 1.00 40.13 C +ATOM 19549 CE LYS J 210 11.090 96.807 82.046 1.00 46.24 C +ATOM 19550 NZ LYS J 210 11.983 97.292 83.147 1.00 48.39 N +ATOM 19551 N ALA J 211 15.554 93.065 78.343 1.00 28.87 N +ATOM 19552 CA ALA J 211 16.411 92.958 77.168 1.00 29.02 C +ATOM 19553 C ALA J 211 16.755 91.538 76.743 1.00 30.42 C +ATOM 19554 O ALA J 211 17.429 91.353 75.732 1.00 32.09 O +ATOM 19555 CB ALA J 211 17.718 93.744 77.405 1.00 28.37 C +ATOM 19556 N THR J 212 16.389 90.539 77.535 1.00 30.28 N +ATOM 19557 CA ATHR J 212 16.779 89.146 77.289 0.50 30.11 C +ATOM 19558 CA BTHR J 212 16.707 89.180 77.140 0.50 30.90 C +ATOM 19559 C THR J 212 15.591 88.233 77.537 1.00 32.15 C +ATOM 19560 O THR J 212 14.640 88.616 78.219 1.00 35.09 O +ATOM 19561 CB ATHR J 212 17.924 88.667 78.231 0.50 28.72 C +ATOM 19562 CB BTHR J 212 18.126 88.739 77.621 0.50 30.21 C +ATOM 19563 OG1ATHR J 212 17.388 88.396 79.533 0.50 30.91 O +ATOM 19564 OG1BTHR J 212 18.369 87.385 77.231 0.50 30.47 O +ATOM 19565 CG2ATHR J 212 19.051 89.696 78.336 0.50 19.25 C +ATOM 19566 CG2BTHR J 212 18.286 88.880 79.103 0.50 26.05 C +ATOM 19567 N VAL J 213 15.671 87.025 77.013 1.00 32.64 N +ATOM 19568 CA VAL J 213 14.617 86.041 77.177 1.00 33.40 C +ATOM 19569 C VAL J 213 15.142 84.849 77.982 1.00 31.45 C +ATOM 19570 O VAL J 213 14.487 84.388 78.908 1.00 31.81 O +ATOM 19571 CB VAL J 213 14.092 85.588 75.771 1.00 35.76 C +ATOM 19572 CG1 VAL J 213 13.023 84.507 75.899 1.00 36.94 C +ATOM 19573 CG2 VAL J 213 13.558 86.833 74.965 1.00 37.88 C +ATOM 19574 N ASP J 214 16.332 84.367 77.631 1.00 28.80 N +ATOM 19575 CA ASP J 214 16.889 83.161 78.265 1.00 29.01 C +ATOM 19576 C ASP J 214 18.113 83.447 79.144 1.00 27.00 C +ATOM 19577 O ASP J 214 18.816 82.544 79.551 1.00 25.87 O +ATOM 19578 CB ASP J 214 17.228 82.113 77.185 1.00 30.10 C +ATOM 19579 CG ASP J 214 18.144 82.648 76.085 1.00 30.93 C +ATOM 19580 OD1 ASP J 214 19.036 83.472 76.389 1.00 27.70 O +ATOM 19581 OD2 ASP J 214 17.977 82.213 74.912 1.00 31.64 O +ATOM 19582 N SER J 215 18.366 84.722 79.385 1.00 25.72 N +ATOM 19583 CA SER J 215 19.530 85.235 80.135 1.00 25.54 C +ATOM 19584 C SER J 215 20.787 85.368 79.299 1.00 25.36 C +ATOM 19585 O SER J 215 21.766 85.901 79.785 1.00 26.80 O +ATOM 19586 CB SER J 215 19.808 84.464 81.443 1.00 23.89 C +ATOM 19587 OG SER J 215 20.548 83.281 81.217 1.00 24.38 O +ATOM 19588 N GLY J 216 20.774 84.917 78.048 1.00 23.85 N +ATOM 19589 CA GLY J 216 21.918 85.100 77.189 1.00 22.55 C +ATOM 19590 C GLY J 216 21.820 86.378 76.398 1.00 22.52 C +ATOM 19591 O GLY J 216 20.729 86.927 76.233 1.00 22.35 O +ATOM 19592 N VAL J 217 22.965 86.857 75.917 1.00 23.24 N +ATOM 19593 CA VAL J 217 23.018 87.982 75.018 1.00 23.77 C +ATOM 19594 C VAL J 217 23.948 87.594 73.869 1.00 24.46 C +ATOM 19595 O VAL J 217 25.164 87.753 73.944 1.00 23.45 O +ATOM 19596 CB VAL J 217 23.474 89.270 75.747 1.00 23.55 C +ATOM 19597 CG1 VAL J 217 23.250 90.518 74.854 1.00 21.01 C +ATOM 19598 CG2 VAL J 217 22.713 89.442 77.096 1.00 23.12 C +ATOM 19599 N GLY J 218 23.345 87.023 72.828 1.00 25.25 N +ATOM 19600 CA GLY J 218 24.068 86.544 71.648 1.00 25.65 C +ATOM 19601 C GLY J 218 23.719 85.102 71.368 1.00 26.34 C +ATOM 19602 O GLY J 218 23.581 84.319 72.313 1.00 26.21 O +ATOM 19603 N ASN J 219 23.590 84.748 70.082 1.00 27.00 N +ATOM 19604 CA ASN J 219 23.306 83.362 69.668 1.00 26.63 C +ATOM 19605 C ASN J 219 24.586 82.534 69.795 1.00 24.24 C +ATOM 19606 O ASN J 219 25.556 82.831 69.138 1.00 24.84 O +ATOM 19607 CB ASN J 219 22.731 83.302 68.231 1.00 26.03 C +ATOM 19608 CG ASN J 219 22.056 81.988 67.924 1.00 26.39 C +ATOM 19609 OD1 ASN J 219 22.514 80.931 68.330 1.00 28.65 O +ATOM 19610 ND2 ASN J 219 20.942 82.048 67.226 1.00 27.20 N +ATOM 19611 N PRO J 220 24.582 81.505 70.675 1.00 23.24 N +ATOM 19612 CA PRO J 220 25.738 80.652 70.899 1.00 24.96 C +ATOM 19613 C PRO J 220 25.862 79.440 69.972 1.00 26.00 C +ATOM 19614 O PRO J 220 26.837 78.693 70.096 1.00 24.97 O +ATOM 19615 CB PRO J 220 25.502 80.164 72.345 1.00 24.15 C +ATOM 19616 CG PRO J 220 24.044 79.992 72.399 1.00 21.77 C +ATOM 19617 CD PRO J 220 23.469 81.108 71.549 1.00 22.26 C +ATOM 19618 N LYS J 221 24.927 79.257 69.049 1.00 27.22 N +ATOM 19619 CA LYS J 221 24.738 77.945 68.408 1.00 27.13 C +ATOM 19620 C LYS J 221 25.756 77.497 67.355 1.00 26.87 C +ATOM 19621 O LYS J 221 25.771 76.337 66.981 1.00 27.03 O +ATOM 19622 CB LYS J 221 23.322 77.872 67.859 1.00 26.15 C +ATOM 19623 CG LYS J 221 22.290 77.807 68.983 1.00 30.75 C +ATOM 19624 CD LYS J 221 20.838 77.601 68.502 1.00 32.57 C +ATOM 19625 CE LYS J 221 19.875 77.669 69.719 1.00 35.05 C +ATOM 19626 NZ LYS J 221 18.443 77.586 69.339 1.00 34.04 N +ATOM 19627 N LYS J 222 26.622 78.399 66.900 1.00 26.76 N +ATOM 19628 CA LYS J 222 27.738 78.027 66.013 1.00 26.45 C +ATOM 19629 C LYS J 222 28.995 77.791 66.823 1.00 25.19 C +ATOM 19630 O LYS J 222 30.093 77.685 66.271 1.00 24.51 O +ATOM 19631 CB LYS J 222 28.015 79.106 64.929 1.00 27.69 C +ATOM 19632 CG LYS J 222 26.808 79.452 64.046 1.00 30.93 C +ATOM 19633 CD LYS J 222 26.311 78.229 63.275 1.00 41.13 C +ATOM 19634 CE LYS J 222 24.927 78.423 62.708 1.00 48.02 C +ATOM 19635 NZ LYS J 222 24.549 77.298 61.803 1.00 49.60 N +ATOM 19636 N ALA J 223 28.834 77.702 68.140 1.00 24.28 N +ATOM 19637 CA ALA J 223 29.939 77.400 69.044 1.00 23.01 C +ATOM 19638 C ALA J 223 30.501 75.991 68.789 1.00 22.83 C +ATOM 19639 O ALA J 223 29.754 75.053 68.570 1.00 22.59 O +ATOM 19640 CB ALA J 223 29.481 77.563 70.503 1.00 20.55 C +ATOM 19641 N THR J 224 31.829 75.879 68.776 1.00 22.50 N +ATOM 19642 CA THR J 224 32.512 74.597 68.710 1.00 22.61 C +ATOM 19643 C THR J 224 33.732 74.564 69.655 1.00 22.10 C +ATOM 19644 O THR J 224 34.400 75.587 69.889 1.00 22.17 O +ATOM 19645 CB THR J 224 33.049 74.242 67.257 1.00 23.79 C +ATOM 19646 OG1 THR J 224 34.175 75.070 66.920 1.00 23.49 O +ATOM 19647 CG2 THR J 224 31.954 74.341 66.186 1.00 20.10 C +ATOM 19648 N ALA J 225 34.051 73.372 70.133 1.00 21.44 N +ATOM 19649 CA ALA J 225 35.246 73.142 70.928 1.00 21.79 C +ATOM 19650 C ALA J 225 36.501 73.558 70.147 1.00 24.29 C +ATOM 19651 O ALA J 225 37.428 74.159 70.683 1.00 24.25 O +ATOM 19652 CB ALA J 225 35.297 71.659 71.378 1.00 18.45 C +ATOM 19653 N GLU J 226 36.492 73.312 68.840 1.00 26.25 N +ATOM 19654 CA GLU J 226 37.617 73.631 67.980 1.00 27.14 C +ATOM 19655 C GLU J 226 37.832 75.143 67.909 1.00 24.29 C +ATOM 19656 O GLU J 226 38.971 75.609 67.998 1.00 23.81 O +ATOM 19657 CB GLU J 226 37.389 73.038 66.570 1.00 32.03 C +ATOM 19658 CG GLU J 226 37.342 71.480 66.462 1.00 43.05 C +ATOM 19659 CD GLU J 226 36.267 70.748 67.346 1.00 51.24 C +ATOM 19660 OE1 GLU J 226 35.084 71.179 67.400 1.00 41.07 O +ATOM 19661 OE2 GLU J 226 36.621 69.697 67.969 1.00 58.12 O +ATOM 19662 N LYS J 227 36.759 75.924 67.770 1.00 23.24 N +ATOM 19663 CA LYS J 227 36.892 77.401 67.771 1.00 23.91 C +ATOM 19664 C LYS J 227 37.416 77.947 69.097 1.00 23.37 C +ATOM 19665 O LYS J 227 38.172 78.910 69.135 1.00 23.73 O +ATOM 19666 CB LYS J 227 35.543 78.090 67.506 1.00 23.94 C +ATOM 19667 CG LYS J 227 35.066 78.097 66.058 1.00 26.94 C +ATOM 19668 CD LYS J 227 33.587 78.563 66.052 1.00 26.61 C +ATOM 19669 CE LYS J 227 33.026 78.724 64.696 1.00 27.09 C +ATOM 19670 NZ LYS J 227 31.650 79.231 64.804 1.00 24.07 N +ATOM 19671 N GLY J 228 36.967 77.336 70.192 1.00 23.91 N +ATOM 19672 CA GLY J 228 37.426 77.689 71.543 1.00 23.23 C +ATOM 19673 C GLY J 228 38.906 77.523 71.760 1.00 23.61 C +ATOM 19674 O GLY J 228 39.562 78.395 72.311 1.00 23.65 O +ATOM 19675 N GLU J 229 39.412 76.377 71.317 1.00 25.27 N +ATOM 19676 CA GLU J 229 40.843 76.065 71.308 1.00 26.85 C +ATOM 19677 C GLU J 229 41.674 77.043 70.497 1.00 25.49 C +ATOM 19678 O GLU J 229 42.777 77.435 70.915 1.00 25.14 O +ATOM 19679 CB GLU J 229 41.049 74.660 70.737 1.00 27.03 C +ATOM 19680 CG GLU J 229 42.498 74.202 70.766 1.00 33.04 C +ATOM 19681 CD GLU J 229 42.657 72.779 70.306 1.00 34.69 C +ATOM 19682 OE1 GLU J 229 42.030 72.402 69.294 1.00 46.96 O +ATOM 19683 OE2 GLU J 229 43.421 72.040 70.956 1.00 50.67 O +ATOM 19684 N ARG J 230 41.158 77.425 69.329 1.00 25.44 N +ATOM 19685 CA ARG J 230 41.872 78.351 68.447 1.00 29.80 C +ATOM 19686 C ARG J 230 41.964 79.729 69.043 1.00 25.10 C +ATOM 19687 O ARG J 230 42.998 80.392 68.917 1.00 25.91 O +ATOM 19688 CB ARG J 230 41.235 78.436 67.052 1.00 30.21 C +ATOM 19689 CG ARG J 230 41.400 77.146 66.210 1.00 41.72 C +ATOM 19690 CD ARG J 230 41.015 77.298 64.688 1.00 42.83 C +ATOM 19691 NE ARG J 230 39.670 77.866 64.463 1.00 57.19 N +ATOM 19692 CZ ARG J 230 39.404 79.142 64.128 1.00 61.30 C +ATOM 19693 NH1 ARG J 230 40.380 80.049 63.957 1.00 61.39 N +ATOM 19694 NH2 ARG J 230 38.131 79.520 63.962 1.00 54.17 N +ATOM 19695 N TYR J 231 40.881 80.171 69.669 1.00 23.13 N +ATOM 19696 CA TYR J 231 40.836 81.474 70.321 1.00 22.85 C +ATOM 19697 C TYR J 231 41.712 81.502 71.560 1.00 22.25 C +ATOM 19698 O TYR J 231 42.448 82.461 71.765 1.00 25.00 O +ATOM 19699 CB TYR J 231 39.401 81.798 70.709 1.00 24.24 C +ATOM 19700 CG TYR J 231 39.122 83.167 71.265 1.00 24.11 C +ATOM 19701 CD1 TYR J 231 39.688 84.288 70.715 1.00 24.90 C +ATOM 19702 CD2 TYR J 231 38.206 83.340 72.303 1.00 21.10 C +ATOM 19703 CE1 TYR J 231 39.412 85.532 71.213 1.00 22.54 C +ATOM 19704 CE2 TYR J 231 37.918 84.588 72.791 1.00 21.25 C +ATOM 19705 CZ TYR J 231 38.533 85.675 72.233 1.00 20.47 C +ATOM 19706 OH TYR J 231 38.275 86.933 72.694 1.00 23.42 O +ATOM 19707 N VAL J 232 41.659 80.476 72.397 1.00 22.83 N +ATOM 19708 CA VAL J 232 42.402 80.574 73.674 1.00 22.72 C +ATOM 19709 C VAL J 232 43.913 80.509 73.480 1.00 23.42 C +ATOM 19710 O VAL J 232 44.640 81.020 74.322 1.00 23.62 O +ATOM 19711 CB VAL J 232 41.926 79.549 74.787 1.00 24.44 C +ATOM 19712 CG1 VAL J 232 40.428 79.680 75.061 1.00 23.14 C +ATOM 19713 CG2 VAL J 232 42.235 78.158 74.424 1.00 23.88 C +ATOM 19714 N LYS J 233 44.378 79.951 72.355 1.00 24.03 N +ATOM 19715 CA LYS J 233 45.839 79.825 72.072 1.00 27.62 C +ATOM 19716 C LYS J 233 46.623 81.143 72.146 1.00 23.18 C +ATOM 19717 O LYS J 233 47.599 81.235 72.923 1.00 24.15 O +ATOM 19718 CB LYS J 233 46.137 79.107 70.731 1.00 28.73 C +ATOM 19719 CG LYS J 233 47.610 78.640 70.617 1.00 29.97 C +ATOM 19720 CD LYS J 233 47.874 77.755 69.361 1.00 35.26 C +ATOM 19721 CE LYS J 233 49.140 78.187 68.606 1.00 48.69 C +ATOM 19722 NZ LYS J 233 49.069 77.810 67.150 1.00 57.82 N +ATOM 19723 N PRO J 234 46.230 82.162 71.348 1.00 22.16 N +ATOM 19724 CA PRO J 234 46.920 83.443 71.491 1.00 22.25 C +ATOM 19725 C PRO J 234 46.638 84.197 72.809 1.00 21.16 C +ATOM 19726 O PRO J 234 47.477 84.996 73.240 1.00 21.49 O +ATOM 19727 CB PRO J 234 46.409 84.248 70.283 1.00 22.74 C +ATOM 19728 CG PRO J 234 45.058 83.711 70.036 1.00 20.94 C +ATOM 19729 CD PRO J 234 45.193 82.231 70.296 1.00 23.94 C +ATOM 19730 N ILE J 235 45.493 83.972 73.448 1.00 21.54 N +ATOM 19731 CA ILE J 235 45.223 84.610 74.743 1.00 20.67 C +ATOM 19732 C ILE J 235 46.219 84.086 75.773 1.00 20.67 C +ATOM 19733 O ILE J 235 46.866 84.870 76.464 1.00 22.63 O +ATOM 19734 CB ILE J 235 43.773 84.358 75.251 1.00 21.81 C +ATOM 19735 CG1 ILE J 235 42.733 84.948 74.279 1.00 19.83 C +ATOM 19736 CG2 ILE J 235 43.587 84.932 76.669 1.00 20.07 C +ATOM 19737 CD1 ILE J 235 41.311 84.436 74.546 1.00 17.85 C +ATOM 19738 N VAL J 236 46.346 82.768 75.861 1.00 20.49 N +ATOM 19739 CA VAL J 236 47.329 82.119 76.748 1.00 20.44 C +ATOM 19740 C VAL J 236 48.751 82.629 76.476 1.00 21.97 C +ATOM 19741 O VAL J 236 49.568 82.869 77.397 1.00 22.41 O +ATOM 19742 CB VAL J 236 47.309 80.610 76.524 1.00 21.63 C +ATOM 19743 CG1 VAL J 236 48.516 79.902 77.193 1.00 18.86 C +ATOM 19744 CG2 VAL J 236 46.047 80.051 77.013 1.00 20.81 C +ATOM 19745 N GLU J 237 49.078 82.767 75.198 1.00 23.20 N +ATOM 19746 CA GLU J 237 50.443 83.124 74.819 1.00 23.14 C +ATOM 19747 C GLU J 237 50.728 84.543 75.280 1.00 21.98 C +ATOM 19748 O GLU J 237 51.796 84.817 75.860 1.00 22.05 O +ATOM 19749 CB GLU J 237 50.650 82.945 73.316 1.00 24.97 C +ATOM 19750 CG GLU J 237 52.105 83.008 72.843 1.00 33.64 C +ATOM 19751 CD GLU J 237 52.692 84.425 72.857 1.00 38.65 C +ATOM 19752 OE1 GLU J 237 51.971 85.365 72.428 1.00 44.84 O +ATOM 19753 OE2 GLU J 237 53.859 84.601 73.295 1.00 37.41 O +ATOM 19754 N LYS J 238 49.767 85.436 75.053 1.00 22.25 N +ATOM 19755 CA LYS J 238 49.897 86.844 75.472 1.00 23.64 C +ATOM 19756 C LYS J 238 49.909 87.036 76.981 1.00 22.31 C +ATOM 19757 O LYS J 238 50.562 87.937 77.459 1.00 22.12 O +ATOM 19758 CB LYS J 238 48.769 87.712 74.902 1.00 25.25 C +ATOM 19759 CG LYS J 238 48.998 88.243 73.495 1.00 29.34 C +ATOM 19760 CD LYS J 238 47.928 89.278 73.140 1.00 33.43 C +ATOM 19761 CE LYS J 238 48.142 89.875 71.744 1.00 45.45 C +ATOM 19762 NZ LYS J 238 48.440 88.823 70.722 1.00 47.59 N +ATOM 19763 N LEU J 239 49.114 86.239 77.706 1.00 22.37 N +ATOM 19764 CA LEU J 239 49.066 86.295 79.186 1.00 21.31 C +ATOM 19765 C LEU J 239 50.363 85.759 79.763 1.00 20.92 C +ATOM 19766 O LEU J 239 50.925 86.409 80.631 1.00 20.79 O +ATOM 19767 CB LEU J 239 47.844 85.541 79.777 1.00 20.73 C +ATOM 19768 CG LEU J 239 46.506 86.300 79.643 1.00 21.08 C +ATOM 19769 CD1 LEU J 239 45.353 85.405 80.000 1.00 16.54 C +ATOM 19770 CD2 LEU J 239 46.463 87.647 80.416 1.00 20.58 C +ATOM 19771 N ALA J 240 50.876 84.640 79.224 1.00 21.20 N +ATOM 19772 CA ALA J 240 52.199 84.091 79.624 1.00 20.39 C +ATOM 19773 C ALA J 240 53.307 85.113 79.491 1.00 20.71 C +ATOM 19774 O ALA J 240 54.202 85.187 80.350 1.00 22.73 O +ATOM 19775 CB ALA J 240 52.545 82.831 78.813 1.00 18.69 C +ATOM 19776 N GLY J 241 53.264 85.870 78.393 1.00 21.02 N +ATOM 19777 CA GLY J 241 54.190 86.959 78.140 1.00 21.31 C +ATOM 19778 C GLY J 241 54.112 88.081 79.159 1.00 22.03 C +ATOM 19779 O GLY J 241 55.152 88.609 79.596 1.00 21.83 O +ATOM 19780 N LEU J 242 52.887 88.479 79.516 1.00 21.30 N +ATOM 19781 CA LEU J 242 52.674 89.453 80.600 1.00 21.04 C +ATOM 19782 C LEU J 242 53.228 88.956 81.919 1.00 21.68 C +ATOM 19783 O LEU J 242 53.918 89.705 82.643 1.00 21.07 O +ATOM 19784 CB LEU J 242 51.190 89.708 80.787 1.00 22.42 C +ATOM 19785 CG LEU J 242 50.732 90.625 81.906 1.00 21.39 C +ATOM 19786 CD1 LEU J 242 51.232 92.022 81.668 1.00 19.73 C +ATOM 19787 CD2 LEU J 242 49.192 90.516 81.990 1.00 20.90 C +ATOM 19788 N PHE J 243 52.921 87.702 82.239 1.00 22.50 N +ATOM 19789 CA PHE J 243 53.369 87.131 83.525 1.00 23.62 C +ATOM 19790 C PHE J 243 54.897 87.260 83.593 1.00 23.94 C +ATOM 19791 O PHE J 243 55.422 87.800 84.568 1.00 25.17 O +ATOM 19792 CB PHE J 243 52.983 85.643 83.713 1.00 23.36 C +ATOM 19793 CG PHE J 243 51.493 85.333 83.709 1.00 23.22 C +ATOM 19794 CD1 PHE J 243 50.526 86.302 83.643 1.00 24.72 C +ATOM 19795 CD2 PHE J 243 51.085 84.019 83.816 1.00 23.35 C +ATOM 19796 CE1 PHE J 243 49.196 85.948 83.649 1.00 25.01 C +ATOM 19797 CE2 PHE J 243 49.747 83.676 83.833 1.00 23.68 C +ATOM 19798 CZ PHE J 243 48.812 84.635 83.752 1.00 21.48 C +ATOM 19799 N GLU J 244 55.576 86.780 82.541 1.00 23.96 N +ATOM 19800 CA GLU J 244 57.030 86.855 82.410 1.00 24.57 C +ATOM 19801 C GLU J 244 57.571 88.244 82.595 1.00 24.22 C +ATOM 19802 O GLU J 244 58.524 88.444 83.372 1.00 25.58 O +ATOM 19803 CB GLU J 244 57.477 86.311 81.036 1.00 25.89 C +ATOM 19804 CG GLU J 244 57.364 84.791 80.937 1.00 26.77 C +ATOM 19805 CD GLU J 244 57.317 84.260 79.506 1.00 29.47 C +ATOM 19806 OE1 GLU J 244 57.168 85.046 78.543 1.00 33.29 O +ATOM 19807 OE2 GLU J 244 57.430 83.030 79.355 1.00 34.52 O +ATOM 19808 N GLU J 245 57.005 89.198 81.858 1.00 24.63 N +ATOM 19809 CA GLU J 245 57.468 90.594 81.897 1.00 25.31 C +ATOM 19810 C GLU J 245 57.224 91.184 83.267 1.00 25.98 C +ATOM 19811 O GLU J 245 58.063 91.885 83.778 1.00 27.10 O +ATOM 19812 CB GLU J 245 56.778 91.457 80.819 1.00 25.57 C +ATOM 19813 CG GLU J 245 57.168 91.102 79.328 1.00 26.34 C +ATOM 19814 CD GLU J 245 56.152 91.611 78.247 1.00 28.82 C +ATOM 19815 OE1 GLU J 245 55.100 92.207 78.582 1.00 29.76 O +ATOM 19816 OE2 GLU J 245 56.410 91.417 77.030 1.00 35.99 O +HETATM19817 N MSE J 246 56.065 90.913 83.866 1.00 26.43 N +HETATM19818 CA MSE J 246 55.793 91.376 85.240 1.00 26.44 C +HETATM19819 C MSE J 246 56.809 90.860 86.234 1.00 28.20 C +HETATM19820 O MSE J 246 57.162 91.571 87.136 1.00 28.93 O +HETATM19821 CB MSE J 246 54.398 90.951 85.698 1.00 27.69 C +HETATM19822 CG MSE J 246 53.280 91.751 85.072 1.00 28.00 C +HETATM19823 SE MSE J 246 51.547 91.112 85.657 0.75 29.70 SE +HETATM19824 CE MSE J 246 51.480 92.080 87.450 1.00 20.34 C +ATOM 19825 N ALA J 247 57.269 89.618 86.062 1.00 30.02 N +ATOM 19826 CA ALA J 247 58.268 88.991 86.934 1.00 30.57 C +ATOM 19827 C ALA J 247 59.657 89.526 86.679 1.00 30.70 C +ATOM 19828 O ALA J 247 60.480 89.555 87.591 1.00 31.35 O +ATOM 19829 CB ALA J 247 58.268 87.443 86.756 1.00 27.66 C +ATOM 19830 N GLN J 248 59.927 89.918 85.444 1.00 30.37 N +ATOM 19831 CA GLN J 248 61.297 90.268 85.044 1.00 33.44 C +ATOM 19832 C GLN J 248 61.600 91.759 84.967 1.00 33.52 C +ATOM 19833 O GLN J 248 62.779 92.130 84.870 1.00 34.60 O +ATOM 19834 CB GLN J 248 61.632 89.615 83.696 1.00 33.42 C +ATOM 19835 CG GLN J 248 61.785 88.121 83.789 1.00 37.15 C +ATOM 19836 CD GLN J 248 61.708 87.418 82.449 1.00 38.85 C +ATOM 19837 OE1 GLN J 248 61.542 88.047 81.395 1.00 43.93 O +ATOM 19838 NE2 GLN J 248 61.817 86.088 82.488 1.00 42.13 N +ATOM 19839 N HIS J 249 60.566 92.603 84.985 1.00 32.94 N +ATOM 19840 CA HIS J 249 60.759 94.060 84.972 1.00 32.97 C +ATOM 19841 C HIS J 249 60.071 94.763 86.116 1.00 32.36 C +ATOM 19842 O HIS J 249 59.027 94.316 86.598 1.00 33.33 O +ATOM 19843 CB HIS J 249 60.240 94.660 83.660 1.00 34.33 C +ATOM 19844 CG HIS J 249 60.892 94.089 82.443 1.00 35.50 C +ATOM 19845 ND1 HIS J 249 62.018 94.642 81.877 1.00 39.94 N +ATOM 19846 CD2 HIS J 249 60.588 93.001 81.693 1.00 38.96 C +ATOM 19847 CE1 HIS J 249 62.387 93.914 80.834 1.00 41.20 C +ATOM 19848 NE2 HIS J 249 61.538 92.911 80.701 1.00 39.06 N +ATOM 19849 N ASP J 250 60.652 95.879 86.544 1.00 32.09 N +ATOM 19850 CA ASP J 250 59.932 96.885 87.328 1.00 31.58 C +ATOM 19851 C ASP J 250 58.944 97.565 86.393 1.00 28.37 C +ATOM 19852 O ASP J 250 59.125 97.547 85.182 1.00 27.61 O +ATOM 19853 CB ASP J 250 60.894 97.951 87.881 1.00 33.30 C +ATOM 19854 CG ASP J 250 61.762 97.436 89.022 1.00 40.68 C +ATOM 19855 OD1 ASP J 250 61.555 96.289 89.530 1.00 40.71 O +ATOM 19856 OD2 ASP J 250 62.645 98.221 89.415 1.00 49.00 O +ATOM 19857 N LEU J 251 57.923 98.187 86.958 1.00 26.43 N +ATOM 19858 CA LEU J 251 56.910 98.859 86.150 1.00 26.03 C +ATOM 19859 C LEU J 251 57.516 99.928 85.216 1.00 26.00 C +ATOM 19860 O LEU J 251 57.138 100.036 84.048 1.00 24.84 O +ATOM 19861 CB LEU J 251 55.871 99.486 87.066 1.00 26.11 C +ATOM 19862 CG LEU J 251 54.614 100.043 86.429 1.00 24.35 C +ATOM 19863 CD1 LEU J 251 53.810 98.976 85.620 1.00 18.80 C +ATOM 19864 CD2 LEU J 251 53.818 100.656 87.544 1.00 21.49 C +ATOM 19865 N TYR J 252 58.436 100.715 85.749 1.00 27.18 N +ATOM 19866 CA TYR J 252 59.180 101.707 84.998 1.00 28.27 C +ATOM 19867 C TYR J 252 60.639 101.410 85.232 1.00 31.82 C +ATOM 19868 O TYR J 252 61.033 100.988 86.336 1.00 31.73 O +ATOM 19869 CB TYR J 252 58.870 103.118 85.497 1.00 26.88 C +ATOM 19870 CG TYR J 252 57.475 103.584 85.197 1.00 26.82 C +ATOM 19871 CD1 TYR J 252 57.172 104.177 83.978 1.00 26.41 C +ATOM 19872 CD2 TYR J 252 56.448 103.432 86.130 1.00 25.18 C +ATOM 19873 CE1 TYR J 252 55.901 104.593 83.688 1.00 26.68 C +ATOM 19874 CE2 TYR J 252 55.160 103.845 85.844 1.00 23.69 C +ATOM 19875 CZ TYR J 252 54.898 104.433 84.615 1.00 26.30 C +ATOM 19876 OH TYR J 252 53.637 104.871 84.296 1.00 27.93 O +ATOM 19877 N GLU J 253 61.450 101.617 84.197 1.00 37.01 N +ATOM 19878 CA GLU J 253 62.882 101.339 84.274 1.00 42.53 C +ATOM 19879 C GLU J 253 63.696 102.443 83.583 1.00 44.54 C +ATOM 19880 O GLU J 253 63.174 103.445 83.075 1.00 46.07 O +ATOM 19881 CB GLU J 253 63.190 99.950 83.687 1.00 43.21 C +ATOM 19882 CG GLU J 253 62.646 98.794 84.540 1.00 42.65 C +ATOM 19883 CD GLU J 253 63.160 97.412 84.141 1.00 45.32 C +ATOM 19884 OE1 GLU J 253 63.277 97.136 82.917 1.00 50.73 O +ATOM 19885 OE2 GLU J 253 63.408 96.589 85.071 1.00 48.56 O +ATOM 19886 OXT GLU J 253 64.921 102.345 83.551 1.00 48.30 O +TER 19887 GLU J 253 +HETATM19888 N MSE K 1 24.869 134.016 81.333 1.00 39.19 N +HETATM19889 CA MSE K 1 24.339 133.494 82.614 1.00 40.05 C +HETATM19890 C MSE K 1 22.921 132.991 82.397 1.00 37.41 C +HETATM19891 O MSE K 1 22.049 133.746 82.001 1.00 37.66 O +HETATM19892 CB MSE K 1 24.350 134.578 83.696 1.00 39.96 C +HETATM19893 CG MSE K 1 23.478 134.274 84.934 1.00 43.34 C +HETATM19894 SE MSE K 1 23.477 135.720 86.304 0.75 47.84 SE +HETATM19895 CE MSE K 1 25.483 135.931 86.306 1.00 42.05 C +ATOM 19896 N ASN K 2 22.677 131.719 82.692 1.00 33.66 N +ATOM 19897 CA ASN K 2 21.357 131.157 82.487 1.00 31.04 C +ATOM 19898 C ASN K 2 20.862 130.494 83.758 1.00 29.86 C +ATOM 19899 O ASN K 2 21.199 129.348 84.048 1.00 28.08 O +ATOM 19900 CB ASN K 2 21.378 130.170 81.314 1.00 29.81 C +ATOM 19901 CG ASN K 2 20.002 129.787 80.850 1.00 27.93 C +ATOM 19902 OD1 ASN K 2 19.021 129.848 81.595 1.00 33.11 O +ATOM 19903 ND2 ASN K 2 19.908 129.404 79.600 1.00 28.03 N +ATOM 19904 N LYS K 3 20.055 131.229 84.509 1.00 28.78 N +ATOM 19905 CA LYS K 3 19.499 130.724 85.761 1.00 30.12 C +ATOM 19906 C LYS K 3 18.490 129.596 85.552 1.00 28.58 C +ATOM 19907 O LYS K 3 18.130 128.911 86.508 1.00 28.32 O +ATOM 19908 CB LYS K 3 18.828 131.859 86.565 1.00 32.08 C +ATOM 19909 CG LYS K 3 19.806 132.931 87.158 1.00 34.16 C +ATOM 19910 CD LYS K 3 19.074 133.815 88.195 1.00 33.46 C +ATOM 19911 CE LYS K 3 19.959 134.938 88.748 1.00 37.68 C +ATOM 19912 NZ LYS K 3 19.292 135.678 89.878 1.00 33.24 N +ATOM 19913 N GLU K 4 18.005 129.412 84.329 1.00 27.59 N +ATOM 19914 CA GLU K 4 16.992 128.396 84.077 1.00 27.73 C +ATOM 19915 C GLU K 4 17.586 126.986 84.096 1.00 23.79 C +ATOM 19916 O GLU K 4 16.944 126.045 84.574 1.00 24.46 O +ATOM 19917 CB GLU K 4 16.261 128.647 82.738 1.00 27.48 C +ATOM 19918 CG GLU K 4 14.912 127.948 82.666 1.00 31.82 C +ATOM 19919 CD GLU K 4 14.085 128.304 81.422 1.00 33.94 C +ATOM 19920 OE1 GLU K 4 14.377 129.323 80.751 1.00 42.17 O +ATOM 19921 OE2 GLU K 4 13.137 127.545 81.124 1.00 34.07 O +ATOM 19922 N VAL K 5 18.817 126.851 83.607 1.00 21.67 N +ATOM 19923 CA VAL K 5 19.442 125.536 83.417 1.00 21.09 C +ATOM 19924 C VAL K 5 20.822 125.373 84.110 1.00 20.70 C +ATOM 19925 O VAL K 5 21.402 124.290 84.011 1.00 20.78 O +ATOM 19926 CB VAL K 5 19.628 125.189 81.874 1.00 22.54 C +ATOM 19927 CG1 VAL K 5 18.336 125.351 81.080 1.00 18.92 C +ATOM 19928 CG2 VAL K 5 20.740 126.034 81.259 1.00 19.60 C +ATOM 19929 N ASP K 6 21.329 126.409 84.796 1.00 19.75 N +ATOM 19930 CA ASP K 6 22.651 126.382 85.430 1.00 19.75 C +ATOM 19931 C ASP K 6 22.559 126.693 86.921 1.00 19.80 C +ATOM 19932 O ASP K 6 22.501 127.844 87.284 1.00 20.88 O +ATOM 19933 CB ASP K 6 23.599 127.370 84.737 1.00 18.85 C +ATOM 19934 CG ASP K 6 25.002 127.331 85.295 1.00 22.61 C +ATOM 19935 OD1 ASP K 6 25.263 126.488 86.181 1.00 29.22 O +ATOM 19936 OD2 ASP K 6 25.867 128.133 84.848 1.00 27.33 O +ATOM 19937 N LEU K 7 22.596 125.667 87.782 1.00 19.24 N +ATOM 19938 CA LEU K 7 22.384 125.876 89.225 1.00 19.80 C +ATOM 19939 C LEU K 7 23.479 126.695 89.893 1.00 20.83 C +ATOM 19940 O LEU K 7 23.224 127.322 90.931 1.00 22.22 O +ATOM 19941 CB LEU K 7 22.228 124.571 90.000 1.00 20.04 C +ATOM 19942 CG LEU K 7 21.440 124.712 91.311 1.00 19.04 C +ATOM 19943 CD1 LEU K 7 19.946 124.749 90.969 1.00 14.03 C +ATOM 19944 CD2 LEU K 7 21.743 123.556 92.281 1.00 18.44 C +ATOM 19945 N SER K 8 24.673 126.726 89.301 1.00 21.16 N +ATOM 19946 CA SER K 8 25.745 127.565 89.836 1.00 22.15 C +ATOM 19947 C SER K 8 25.426 129.068 89.880 1.00 22.63 C +ATOM 19948 O SER K 8 26.084 129.816 90.617 1.00 23.28 O +ATOM 19949 CB SER K 8 27.049 127.342 89.076 1.00 21.66 C +ATOM 19950 OG SER K 8 27.378 125.970 89.077 1.00 26.67 O +ATOM 19951 N VAL K 9 24.459 129.513 89.094 1.00 22.38 N +ATOM 19952 CA VAL K 9 24.037 130.932 89.147 1.00 23.02 C +ATOM 19953 C VAL K 9 22.579 131.120 89.542 1.00 23.86 C +ATOM 19954 O VAL K 9 22.158 132.233 89.815 1.00 27.77 O +ATOM 19955 CB VAL K 9 24.354 131.685 87.812 1.00 21.74 C +ATOM 19956 CG1 VAL K 9 25.859 131.706 87.567 1.00 18.55 C +ATOM 19957 CG2 VAL K 9 23.588 131.100 86.610 1.00 22.23 C +ATOM 19958 N SER K 10 21.826 130.034 89.634 1.00 22.90 N +ATOM 19959 CA SER K 10 20.391 130.091 89.798 1.00 21.61 C +ATOM 19960 C SER K 10 19.916 130.311 91.232 1.00 22.95 C +ATOM 19961 O SER K 10 20.708 130.255 92.181 1.00 22.55 O +ATOM 19962 CB SER K 10 19.789 128.796 89.275 1.00 22.69 C +ATOM 19963 OG SER K 10 18.377 128.905 89.157 1.00 27.36 O +ATOM 19964 N CYS K 11 18.613 130.545 91.388 1.00 22.67 N +ATOM 19965 CA CYS K 11 17.996 130.747 92.699 1.00 23.16 C +ATOM 19966 C CYS K 11 16.607 130.111 92.744 1.00 23.30 C +ATOM 19967 O CYS K 11 16.069 129.782 91.691 1.00 23.96 O +ATOM 19968 CB CYS K 11 17.896 132.241 92.971 1.00 24.73 C +ATOM 19969 SG CYS K 11 16.910 133.078 91.735 1.00 27.38 S +ATOM 19970 N LEU K 12 16.027 129.920 93.934 1.00 23.28 N +ATOM 19971 CA LEU K 12 14.785 129.136 94.035 1.00 24.06 C +ATOM 19972 C LEU K 12 13.636 129.797 93.259 1.00 25.68 C +ATOM 19973 O LEU K 12 12.842 129.103 92.645 1.00 26.57 O +ATOM 19974 CB LEU K 12 14.388 128.884 95.507 1.00 24.43 C +ATOM 19975 CG LEU K 12 13.034 128.241 95.857 1.00 24.83 C +ATOM 19976 CD1 LEU K 12 12.902 126.818 95.328 1.00 22.86 C +ATOM 19977 CD2 LEU K 12 12.738 128.247 97.357 1.00 22.74 C +ATOM 19978 N GLY K 13 13.549 131.124 93.292 1.00 26.63 N +ATOM 19979 CA GLY K 13 12.502 131.847 92.589 1.00 27.06 C +ATOM 19980 C GLY K 13 12.473 131.560 91.097 1.00 28.45 C +ATOM 19981 O GLY K 13 11.378 131.482 90.515 1.00 29.03 O +ATOM 19982 N LYS K 14 13.651 131.417 90.478 1.00 28.84 N +ATOM 19983 CA LYS K 14 13.751 131.140 89.039 1.00 30.22 C +ATOM 19984 C LYS K 14 13.319 129.735 88.680 1.00 30.94 C +ATOM 19985 O LYS K 14 12.840 129.536 87.579 1.00 35.27 O +ATOM 19986 CB LYS K 14 15.190 131.358 88.517 1.00 30.22 C +ATOM 19987 N VAL K 15 13.502 128.760 89.584 1.00 29.36 N +ATOM 19988 CA VAL K 15 13.339 127.331 89.244 1.00 28.21 C +ATOM 19989 C VAL K 15 12.092 126.683 89.824 1.00 29.37 C +ATOM 19990 O VAL K 15 11.721 125.588 89.384 1.00 27.54 O +ATOM 19991 CB VAL K 15 14.560 126.416 89.681 1.00 27.16 C +ATOM 19992 CG1 VAL K 15 15.878 127.064 89.363 1.00 27.69 C +ATOM 19993 CG2 VAL K 15 14.487 126.042 91.179 1.00 23.47 C +ATOM 19994 N LYS K 16 11.453 127.320 90.799 1.00 30.82 N +ATOM 19995 CA LYS K 16 10.496 126.600 91.629 1.00 34.74 C +ATOM 19996 C LYS K 16 9.191 126.243 90.933 1.00 35.10 C +ATOM 19997 O LYS K 16 8.525 125.288 91.344 1.00 35.37 O +ATOM 19998 CB LYS K 16 10.206 127.332 92.949 1.00 35.28 C +ATOM 19999 CG LYS K 16 9.317 128.557 92.852 1.00 37.28 C +ATOM 20000 CD LYS K 16 8.855 129.019 94.263 1.00 39.38 C +ATOM 20001 CE LYS K 16 8.081 130.354 94.217 1.00 50.11 C +ATOM 20002 NZ LYS K 16 6.602 130.206 93.925 1.00 55.81 N +ATOM 20003 N GLU K 17 8.815 126.998 89.905 1.00 36.37 N +ATOM 20004 CA GLU K 17 7.557 126.731 89.200 1.00 40.12 C +ATOM 20005 C GLU K 17 7.805 125.985 87.891 1.00 38.47 C +ATOM 20006 O GLU K 17 6.860 125.615 87.218 1.00 39.27 O +ATOM 20007 CB GLU K 17 6.794 128.043 88.947 1.00 42.13 C +ATOM 20008 CG GLU K 17 6.526 128.862 90.251 1.00 49.95 C +ATOM 20009 CD GLU K 17 5.526 130.016 90.083 1.00 52.62 C +ATOM 20010 OE1 GLU K 17 5.073 130.296 88.939 1.00 62.02 O +ATOM 20011 OE2 GLU K 17 5.196 130.648 91.115 1.00 62.82 O +ATOM 20012 N LEU K 18 9.072 125.753 87.539 1.00 35.57 N +ATOM 20013 CA LEU K 18 9.404 125.145 86.244 1.00 32.96 C +ATOM 20014 C LEU K 18 9.574 123.636 86.349 1.00 31.70 C +ATOM 20015 O LEU K 18 10.089 123.130 87.331 1.00 32.36 O +ATOM 20016 CB LEU K 18 10.655 125.788 85.634 1.00 31.03 C +ATOM 20017 CG LEU K 18 10.630 127.311 85.544 1.00 31.86 C +ATOM 20018 CD1 LEU K 18 11.950 127.798 84.993 1.00 25.61 C +ATOM 20019 CD2 LEU K 18 9.445 127.826 84.699 1.00 29.74 C +ATOM 20020 N LYS K 19 9.143 122.911 85.323 1.00 30.54 N +ATOM 20021 CA LYS K 19 9.290 121.463 85.310 1.00 29.77 C +ATOM 20022 C LYS K 19 10.627 121.086 84.662 1.00 26.90 C +ATOM 20023 O LYS K 19 10.995 121.637 83.641 1.00 24.73 O +ATOM 20024 CB LYS K 19 8.128 120.805 84.576 1.00 32.04 C +ATOM 20025 CG LYS K 19 8.211 119.253 84.537 1.00 38.64 C +ATOM 20026 CD LYS K 19 7.325 118.724 83.404 1.00 48.74 C +ATOM 20027 CE LYS K 19 7.697 117.326 82.919 1.00 54.03 C +ATOM 20028 NZ LYS K 19 7.285 117.179 81.485 1.00 53.70 N +ATOM 20029 N TYR K 20 11.374 120.182 85.289 1.00 25.47 N +ATOM 20030 CA TYR K 20 12.702 119.758 84.782 1.00 24.34 C +ATOM 20031 C TYR K 20 12.636 118.289 84.419 1.00 24.02 C +ATOM 20032 O TYR K 20 12.114 117.485 85.177 1.00 26.18 O +ATOM 20033 CB TYR K 20 13.802 119.989 85.812 1.00 23.36 C +ATOM 20034 CG TYR K 20 14.098 121.442 85.966 1.00 23.72 C +ATOM 20035 CD1 TYR K 20 13.373 122.218 86.841 1.00 21.84 C +ATOM 20036 CD2 TYR K 20 15.121 122.054 85.207 1.00 21.25 C +ATOM 20037 CE1 TYR K 20 13.627 123.595 86.957 1.00 23.85 C +ATOM 20038 CE2 TYR K 20 15.393 123.407 85.318 1.00 18.64 C +ATOM 20039 CZ TYR K 20 14.645 124.170 86.185 1.00 20.06 C +ATOM 20040 OH TYR K 20 14.888 125.505 86.261 1.00 21.35 O +ATOM 20041 N ASP K 21 13.172 117.955 83.251 1.00 24.79 N +ATOM 20042 CA ASP K 21 13.107 116.614 82.688 1.00 26.20 C +ATOM 20043 C ASP K 21 14.324 115.731 83.005 1.00 26.46 C +ATOM 20044 O ASP K 21 14.182 114.508 83.243 1.00 27.87 O +ATOM 20045 CB ASP K 21 12.957 116.725 81.185 1.00 26.35 C +ATOM 20046 CG ASP K 21 11.637 117.414 80.795 1.00 33.01 C +ATOM 20047 OD1 ASP K 21 10.565 116.870 81.167 1.00 37.10 O +ATOM 20048 OD2 ASP K 21 11.685 118.494 80.164 1.00 33.71 O +ATOM 20049 N VAL K 22 15.505 116.339 82.987 1.00 24.53 N +ATOM 20050 CA VAL K 22 16.757 115.610 83.228 1.00 22.95 C +ATOM 20051 C VAL K 22 17.667 116.492 84.056 1.00 21.69 C +ATOM 20052 O VAL K 22 17.666 117.708 83.860 1.00 20.69 O +ATOM 20053 CB VAL K 22 17.467 115.218 81.907 1.00 23.34 C +ATOM 20054 CG1 VAL K 22 18.618 114.252 82.174 1.00 21.87 C +ATOM 20055 CG2 VAL K 22 16.459 114.567 80.955 1.00 23.57 C +ATOM 20056 N ILE K 23 18.400 115.874 84.994 1.00 20.17 N +ATOM 20057 CA ILE K 23 19.396 116.534 85.826 1.00 18.57 C +ATOM 20058 C ILE K 23 20.726 116.093 85.244 1.00 18.01 C +ATOM 20059 O ILE K 23 20.874 114.915 84.895 1.00 19.02 O +ATOM 20060 CB ILE K 23 19.276 116.111 87.318 1.00 18.14 C +ATOM 20061 CG1 ILE K 23 17.846 116.190 87.800 1.00 22.06 C +ATOM 20062 CG2 ILE K 23 20.165 116.971 88.239 1.00 16.52 C +ATOM 20063 CD1 ILE K 23 17.257 117.598 87.787 1.00 21.22 C +ATOM 20064 N ILE K 24 21.659 117.027 85.059 1.00 17.82 N +ATOM 20065 CA ILE K 24 23.019 116.723 84.562 1.00 18.79 C +ATOM 20066 C ILE K 24 23.975 117.031 85.695 1.00 17.20 C +ATOM 20067 O ILE K 24 23.883 118.095 86.299 1.00 17.43 O +ATOM 20068 CB ILE K 24 23.464 117.571 83.324 1.00 22.28 C +ATOM 20069 CG1 ILE K 24 22.305 117.787 82.296 1.00 21.36 C +ATOM 20070 CG2 ILE K 24 24.716 116.977 82.707 1.00 15.59 C +ATOM 20071 CD1 ILE K 24 21.652 116.566 81.824 1.00 32.45 C +ATOM 20072 N LEU K 25 24.851 116.081 86.020 1.00 17.36 N +ATOM 20073 CA LEU K 25 25.830 116.271 87.061 1.00 17.54 C +ATOM 20074 C LEU K 25 27.241 116.263 86.466 1.00 17.98 C +ATOM 20075 O LEU K 25 27.746 115.214 86.138 1.00 18.70 O +ATOM 20076 CB LEU K 25 25.669 115.207 88.136 1.00 19.25 C +ATOM 20077 CG LEU K 25 26.638 115.181 89.319 1.00 15.16 C +ATOM 20078 CD1 LEU K 25 26.501 116.401 90.234 1.00 12.00 C +ATOM 20079 CD2 LEU K 25 26.391 113.894 90.076 1.00 15.13 C +ATOM 20080 N PRO K 26 27.865 117.454 86.319 1.00 18.38 N +ATOM 20081 CA PRO K 26 29.229 117.490 85.864 1.00 18.60 C +ATOM 20082 C PRO K 26 30.137 117.010 87.006 1.00 18.73 C +ATOM 20083 O PRO K 26 29.955 117.398 88.164 1.00 18.98 O +ATOM 20084 CB PRO K 26 29.465 118.980 85.527 1.00 19.00 C +ATOM 20085 CG PRO K 26 28.129 119.653 85.599 1.00 17.11 C +ATOM 20086 CD PRO K 26 27.355 118.819 86.578 1.00 19.94 C +ATOM 20087 N TRP K 27 31.070 116.144 86.684 1.00 18.43 N +ATOM 20088 CA TRP K 27 31.926 115.545 87.679 1.00 17.42 C +ATOM 20089 C TRP K 27 33.349 115.614 87.179 1.00 16.79 C +ATOM 20090 O TRP K 27 33.697 115.005 86.147 1.00 16.76 O +ATOM 20091 CB TRP K 27 31.556 114.101 87.959 1.00 15.32 C +ATOM 20092 CG TRP K 27 32.064 113.616 89.286 1.00 16.18 C +ATOM 20093 CD1 TRP K 27 33.364 113.650 89.732 1.00 11.83 C +ATOM 20094 CD2 TRP K 27 31.306 112.967 90.322 1.00 15.75 C +ATOM 20095 NE1 TRP K 27 33.443 113.108 90.965 1.00 14.18 N +ATOM 20096 CE2 TRP K 27 32.200 112.665 91.352 1.00 17.33 C +ATOM 20097 CE3 TRP K 27 29.967 112.591 90.460 1.00 19.89 C +ATOM 20098 CZ2 TRP K 27 31.798 112.032 92.528 1.00 17.64 C +ATOM 20099 CZ3 TRP K 27 29.562 111.959 91.642 1.00 19.42 C +ATOM 20100 CH2 TRP K 27 30.474 111.693 92.652 1.00 17.41 C +ATOM 20101 N GLY K 28 34.156 116.388 87.913 1.00 16.25 N +ATOM 20102 CA GLY K 28 35.514 116.687 87.514 1.00 16.65 C +ATOM 20103 C GLY K 28 36.542 116.165 88.486 1.00 16.88 C +ATOM 20104 O GLY K 28 36.508 115.016 88.894 1.00 16.76 O +ATOM 20105 N ALA K 29 37.466 117.037 88.842 1.00 17.98 N +ATOM 20106 CA ALA K 29 38.682 116.683 89.573 1.00 16.95 C +ATOM 20107 C ALA K 29 39.406 117.989 89.905 1.00 17.72 C +ATOM 20108 O ALA K 29 39.232 118.994 89.186 1.00 18.22 O +ATOM 20109 CB ALA K 29 39.563 115.787 88.727 1.00 15.31 C +ATOM 20110 N THR K 30 40.198 117.961 90.992 1.00 18.88 N +ATOM 20111 CA THR K 30 41.139 119.037 91.380 1.00 18.51 C +ATOM 20112 C THR K 30 42.579 118.586 91.088 1.00 19.95 C +ATOM 20113 O THR K 30 43.212 117.844 91.843 1.00 19.20 O +ATOM 20114 CB THR K 30 40.922 119.508 92.842 1.00 18.27 C +ATOM 20115 OG1 THR K 30 39.562 119.885 92.987 1.00 21.27 O +ATOM 20116 CG2 THR K 30 41.758 120.731 93.164 1.00 16.73 C +ATOM 20117 N GLU K 31 43.081 119.017 89.948 1.00 20.34 N +ATOM 20118 CA GLU K 31 44.169 118.299 89.301 1.00 20.77 C +ATOM 20119 C GLU K 31 45.011 119.208 88.460 1.00 21.31 C +ATOM 20120 O GLU K 31 44.450 119.947 87.610 1.00 21.78 O +ATOM 20121 CB GLU K 31 43.578 117.251 88.358 1.00 20.66 C +ATOM 20122 CG GLU K 31 44.575 116.257 87.891 1.00 20.33 C +ATOM 20123 CD GLU K 31 44.025 115.331 86.815 1.00 24.25 C +ATOM 20124 OE1 GLU K 31 43.061 115.716 86.125 1.00 23.47 O +ATOM 20125 OE2 GLU K 31 44.579 114.234 86.629 1.00 26.94 O +ATOM 20126 N PRO K 32 46.351 119.153 88.652 1.00 22.67 N +ATOM 20127 CA PRO K 32 47.244 119.861 87.751 1.00 22.33 C +ATOM 20128 C PRO K 32 47.121 119.360 86.298 1.00 21.55 C +ATOM 20129 O PRO K 32 47.040 118.145 86.034 1.00 20.92 O +ATOM 20130 CB PRO K 32 48.634 119.551 88.319 1.00 24.41 C +ATOM 20131 CG PRO K 32 48.386 119.081 89.725 1.00 26.11 C +ATOM 20132 CD PRO K 32 47.083 118.454 89.725 1.00 20.90 C +ATOM 20133 N HIS K 33 47.106 120.315 85.376 1.00 20.92 N +ATOM 20134 CA HIS K 33 46.909 120.087 83.957 1.00 19.93 C +ATOM 20135 C HIS K 33 48.034 120.773 83.208 1.00 20.71 C +ATOM 20136 O HIS K 33 47.848 121.867 82.732 1.00 18.45 O +ATOM 20137 CB HIS K 33 45.568 120.692 83.513 1.00 20.67 C +ATOM 20138 CG HIS K 33 44.392 119.795 83.719 1.00 16.64 C +ATOM 20139 ND1 HIS K 33 43.801 119.605 84.946 1.00 24.52 N +ATOM 20140 CD2 HIS K 33 43.702 119.023 82.851 1.00 21.33 C +ATOM 20141 CE1 HIS K 33 42.779 118.773 84.823 1.00 19.98 C +ATOM 20142 NE2 HIS K 33 42.692 118.413 83.556 1.00 23.13 N +ATOM 20143 N ASN K 34 49.205 120.125 83.118 1.00 21.37 N +ATOM 20144 CA ASN K 34 50.414 120.775 82.571 1.00 22.16 C +ATOM 20145 C ASN K 34 50.668 122.047 83.397 1.00 23.64 C +ATOM 20146 O ASN K 34 50.170 122.158 84.517 1.00 24.29 O +ATOM 20147 CB ASN K 34 50.209 121.079 81.083 1.00 23.26 C +ATOM 20148 CG ASN K 34 51.515 121.181 80.300 1.00 23.55 C +ATOM 20149 OD1 ASN K 34 52.427 121.902 80.685 1.00 20.61 O +ATOM 20150 ND2 ASN K 34 51.590 120.478 79.192 1.00 22.45 N +ATOM 20151 N LEU K 35 51.382 123.027 82.851 1.00 24.12 N +ATOM 20152 CA LEU K 35 51.643 124.245 83.592 1.00 23.04 C +ATOM 20153 C LEU K 35 50.596 125.290 83.364 1.00 22.33 C +ATOM 20154 O LEU K 35 50.502 126.236 84.161 1.00 24.08 O +ATOM 20155 CB LEU K 35 53.019 124.807 83.232 1.00 24.84 C +ATOM 20156 CG LEU K 35 54.158 123.794 83.470 1.00 26.49 C +ATOM 20157 CD1 LEU K 35 55.462 124.280 82.879 1.00 25.68 C +ATOM 20158 CD2 LEU K 35 54.310 123.492 84.935 1.00 22.22 C +ATOM 20159 N HIS K 36 49.780 125.125 82.312 1.00 22.16 N +ATOM 20160 CA HIS K 36 48.972 126.229 81.800 1.00 22.20 C +ATOM 20161 C HIS K 36 47.446 126.162 82.041 1.00 22.41 C +ATOM 20162 O HIS K 36 46.767 127.194 81.972 1.00 22.38 O +ATOM 20163 CB HIS K 36 49.203 126.401 80.308 1.00 23.00 C +ATOM 20164 CG HIS K 36 48.742 125.237 79.504 1.00 22.15 C +ATOM 20165 ND1 HIS K 36 49.218 123.967 79.709 1.00 22.23 N +ATOM 20166 CD2 HIS K 36 47.880 125.152 78.468 1.00 21.44 C +ATOM 20167 CE1 HIS K 36 48.654 123.141 78.847 1.00 23.21 C +ATOM 20168 NE2 HIS K 36 47.821 123.832 78.096 1.00 21.21 N +ATOM 20169 N LEU K 37 46.903 124.966 82.283 1.00 21.69 N +ATOM 20170 CA LEU K 37 45.446 124.841 82.361 1.00 20.31 C +ATOM 20171 C LEU K 37 44.986 124.899 83.807 1.00 19.81 C +ATOM 20172 O LEU K 37 45.718 124.513 84.702 1.00 20.21 O +ATOM 20173 CB LEU K 37 44.974 123.561 81.662 1.00 21.29 C +ATOM 20174 CG LEU K 37 44.924 123.529 80.126 1.00 18.61 C +ATOM 20175 CD1 LEU K 37 44.650 122.097 79.597 1.00 16.65 C +ATOM 20176 CD2 LEU K 37 43.896 124.516 79.615 1.00 20.34 C +ATOM 20177 N PRO K 38 43.772 125.396 84.049 1.00 21.01 N +ATOM 20178 CA PRO K 38 43.229 125.400 85.404 1.00 21.05 C +ATOM 20179 C PRO K 38 43.186 124.038 86.125 1.00 19.76 C +ATOM 20180 O PRO K 38 42.941 122.991 85.502 1.00 19.31 O +ATOM 20181 CB PRO K 38 41.807 125.923 85.195 1.00 20.86 C +ATOM 20182 CG PRO K 38 41.851 126.669 83.982 1.00 19.90 C +ATOM 20183 CD PRO K 38 42.807 125.984 83.097 1.00 22.45 C +ATOM 20184 N TYR K 39 43.426 124.077 87.435 1.00 19.51 N +ATOM 20185 CA TYR K 39 43.250 122.928 88.324 1.00 18.89 C +ATOM 20186 C TYR K 39 41.868 122.379 88.200 1.00 18.53 C +ATOM 20187 O TYR K 39 41.686 121.165 88.301 1.00 19.35 O +ATOM 20188 CB TYR K 39 43.476 123.318 89.780 1.00 19.37 C +ATOM 20189 CG TYR K 39 44.899 123.170 90.228 1.00 18.38 C +ATOM 20190 CD1 TYR K 39 45.827 124.165 89.986 1.00 20.48 C +ATOM 20191 CD2 TYR K 39 45.309 122.048 90.925 1.00 18.73 C +ATOM 20192 CE1 TYR K 39 47.132 124.048 90.405 1.00 22.28 C +ATOM 20193 CE2 TYR K 39 46.644 121.919 91.353 1.00 24.66 C +ATOM 20194 CZ TYR K 39 47.547 122.930 91.077 1.00 20.36 C +ATOM 20195 OH TYR K 39 48.867 122.842 91.521 1.00 25.07 O +ATOM 20196 N LEU K 40 40.890 123.267 87.965 1.00 18.35 N +ATOM 20197 CA LEU K 40 39.511 122.844 87.819 1.00 17.64 C +ATOM 20198 C LEU K 40 39.058 122.604 86.376 1.00 17.83 C +ATOM 20199 O LEU K 40 37.857 122.574 86.123 1.00 18.60 O +ATOM 20200 CB LEU K 40 38.596 123.873 88.513 1.00 20.95 C +ATOM 20201 CG LEU K 40 38.631 123.908 90.051 1.00 19.63 C +ATOM 20202 CD1 LEU K 40 37.636 124.942 90.528 1.00 19.74 C +ATOM 20203 CD2 LEU K 40 38.289 122.520 90.583 1.00 19.05 C +ATOM 20204 N THR K 41 39.995 122.392 85.448 1.00 18.72 N +ATOM 20205 CA THR K 41 39.666 122.108 84.041 1.00 18.37 C +ATOM 20206 C THR K 41 38.578 121.048 83.889 1.00 19.09 C +ATOM 20207 O THR K 41 37.661 121.203 83.069 1.00 18.18 O +ATOM 20208 CB THR K 41 40.912 121.669 83.222 1.00 20.44 C +ATOM 20209 OG1 THR K 41 41.801 122.782 83.082 1.00 19.46 O +ATOM 20210 CG2 THR K 41 40.538 121.118 81.829 1.00 16.33 C +ATOM 20211 N ASP K 42 38.670 119.975 84.660 1.00 19.03 N +ATOM 20212 CA ASP K 42 37.750 118.849 84.479 1.00 18.00 C +ATOM 20213 C ASP K 42 36.372 119.092 85.005 1.00 18.40 C +ATOM 20214 O ASP K 42 35.479 118.301 84.704 1.00 18.47 O +ATOM 20215 CB ASP K 42 38.272 117.602 85.163 1.00 19.23 C +ATOM 20216 CG ASP K 42 39.466 117.049 84.504 1.00 20.37 C +ATOM 20217 OD1 ASP K 42 39.792 117.439 83.336 1.00 23.63 O +ATOM 20218 OD2 ASP K 42 40.049 116.167 85.135 1.00 22.77 O +ATOM 20219 N CYS K 43 36.207 120.140 85.819 1.00 18.63 N +ATOM 20220 CA CYS K 43 34.887 120.596 86.262 1.00 19.83 C +ATOM 20221 C CYS K 43 34.273 121.610 85.314 1.00 19.44 C +ATOM 20222 O CYS K 43 33.056 121.600 85.062 1.00 19.04 O +ATOM 20223 CB CYS K 43 34.987 121.299 87.623 1.00 21.06 C +ATOM 20224 SG CYS K 43 35.308 120.241 89.023 1.00 22.08 S +ATOM 20225 N ILE K 44 35.115 122.531 84.868 1.00 18.83 N +ATOM 20226 CA ILE K 44 34.707 123.665 84.031 1.00 18.91 C +ATOM 20227 C ILE K 44 34.214 123.176 82.687 1.00 19.64 C +ATOM 20228 O ILE K 44 33.154 123.611 82.210 1.00 20.84 O +ATOM 20229 CB ILE K 44 35.892 124.661 83.819 1.00 19.94 C +ATOM 20230 CG1 ILE K 44 36.289 125.346 85.137 1.00 22.06 C +ATOM 20231 CG2 ILE K 44 35.582 125.748 82.745 1.00 17.20 C +ATOM 20232 CD1 ILE K 44 37.717 125.968 85.100 1.00 19.17 C +ATOM 20233 N LEU K 45 34.980 122.294 82.056 1.00 19.31 N +ATOM 20234 CA LEU K 45 34.638 121.868 80.678 1.00 19.28 C +ATOM 20235 C LEU K 45 33.298 121.161 80.583 1.00 18.47 C +ATOM 20236 O LEU K 45 32.473 121.584 79.767 1.00 18.70 O +ATOM 20237 CB LEU K 45 35.760 121.065 80.014 1.00 16.68 C +ATOM 20238 CG LEU K 45 36.992 121.939 79.792 1.00 19.39 C +ATOM 20239 CD1 LEU K 45 37.978 121.131 78.989 1.00 16.25 C +ATOM 20240 CD2 LEU K 45 36.709 123.375 79.145 1.00 14.45 C +ATOM 20241 N PRO K 46 33.068 120.087 81.377 1.00 18.60 N +ATOM 20242 CA PRO K 46 31.740 119.458 81.306 1.00 18.76 C +ATOM 20243 C PRO K 46 30.596 120.358 81.709 1.00 18.53 C +ATOM 20244 O PRO K 46 29.473 120.215 81.188 1.00 20.94 O +ATOM 20245 CB PRO K 46 31.827 118.273 82.292 1.00 19.41 C +ATOM 20246 CG PRO K 46 33.057 118.515 83.088 1.00 19.01 C +ATOM 20247 CD PRO K 46 33.970 119.352 82.273 1.00 18.88 C +ATOM 20248 N HIS K 47 30.852 121.234 82.668 1.00 19.68 N +ATOM 20249 CA HIS K 47 29.863 122.183 83.092 1.00 21.10 C +ATOM 20250 C HIS K 47 29.417 123.025 81.928 1.00 19.46 C +ATOM 20251 O HIS K 47 28.219 123.167 81.681 1.00 18.99 O +ATOM 20252 CB HIS K 47 30.404 123.110 84.192 1.00 22.06 C +ATOM 20253 CG HIS K 47 29.453 124.202 84.558 1.00 23.59 C +ATOM 20254 ND1 HIS K 47 29.469 125.438 83.946 1.00 26.93 N +ATOM 20255 CD2 HIS K 47 28.423 124.229 85.438 1.00 25.80 C +ATOM 20256 CE1 HIS K 47 28.500 126.185 84.448 1.00 24.90 C +ATOM 20257 NE2 HIS K 47 27.850 125.474 85.353 1.00 26.92 N +ATOM 20258 N ASP K 48 30.376 123.627 81.242 1.00 20.79 N +ATOM 20259 CA ASP K 48 30.062 124.565 80.155 1.00 21.25 C +ATOM 20260 C ASP K 48 29.401 123.876 78.972 1.00 20.68 C +ATOM 20261 O ASP K 48 28.479 124.427 78.368 1.00 21.37 O +ATOM 20262 CB ASP K 48 31.313 125.341 79.717 1.00 21.89 C +ATOM 20263 CG ASP K 48 31.738 126.422 80.752 1.00 26.07 C +ATOM 20264 OD1 ASP K 48 31.004 126.626 81.747 1.00 33.46 O +ATOM 20265 OD2 ASP K 48 32.794 127.067 80.579 1.00 26.77 O +ATOM 20266 N ILE K 49 29.874 122.678 78.646 1.00 19.79 N +ATOM 20267 CA ILE K 49 29.294 121.868 77.574 1.00 18.66 C +ATOM 20268 C ILE K 49 27.861 121.474 77.911 1.00 19.83 C +ATOM 20269 O ILE K 49 26.992 121.558 77.057 1.00 20.24 O +ATOM 20270 CB ILE K 49 30.137 120.608 77.304 1.00 21.12 C +ATOM 20271 CG1 ILE K 49 31.449 121.017 76.636 1.00 18.36 C +ATOM 20272 CG2 ILE K 49 29.347 119.535 76.475 1.00 17.11 C +ATOM 20273 CD1 ILE K 49 32.608 119.995 76.778 1.00 19.54 C +ATOM 20274 N ALA K 50 27.625 121.057 79.160 1.00 19.93 N +ATOM 20275 CA ALA K 50 26.291 120.681 79.607 1.00 19.60 C +ATOM 20276 C ALA K 50 25.307 121.867 79.571 1.00 19.18 C +ATOM 20277 O ALA K 50 24.144 121.719 79.207 1.00 19.96 O +ATOM 20278 CB ALA K 50 26.352 120.029 81.044 1.00 16.92 C +ATOM 20279 N VAL K 51 25.757 123.040 79.983 1.00 19.93 N +ATOM 20280 CA VAL K 51 24.880 124.194 79.969 1.00 20.57 C +ATOM 20281 C VAL K 51 24.473 124.511 78.513 1.00 21.21 C +ATOM 20282 O VAL K 51 23.286 124.706 78.260 1.00 21.17 O +ATOM 20283 CB VAL K 51 25.478 125.404 80.721 1.00 22.44 C +ATOM 20284 CG1 VAL K 51 24.568 126.660 80.535 1.00 21.32 C +ATOM 20285 CG2 VAL K 51 25.629 125.080 82.236 1.00 16.79 C +ATOM 20286 N GLU K 52 25.435 124.506 77.572 1.00 21.47 N +ATOM 20287 CA GLU K 52 25.133 124.657 76.141 1.00 24.18 C +ATOM 20288 C GLU K 52 24.148 123.620 75.610 1.00 21.85 C +ATOM 20289 O GLU K 52 23.196 123.953 74.895 1.00 22.85 O +ATOM 20290 CB GLU K 52 26.390 124.519 75.305 1.00 27.01 C +ATOM 20291 CG GLU K 52 27.147 125.799 75.056 1.00 37.93 C +ATOM 20292 CD GLU K 52 28.021 125.705 73.815 1.00 38.31 C +ATOM 20293 OE1 GLU K 52 29.241 125.537 73.962 1.00 36.95 O +ATOM 20294 OE2 GLU K 52 27.483 125.766 72.686 1.00 51.71 O +ATOM 20295 N ALA K 53 24.414 122.354 75.915 1.00 20.79 N +ATOM 20296 CA ALA K 53 23.523 121.271 75.515 1.00 18.92 C +ATOM 20297 C ALA K 53 22.109 121.482 76.051 1.00 20.14 C +ATOM 20298 O ALA K 53 21.101 121.241 75.340 1.00 20.90 O +ATOM 20299 CB ALA K 53 24.061 119.982 76.019 1.00 16.61 C +ATOM 20300 N ALA K 54 22.030 121.911 77.313 1.00 20.14 N +ATOM 20301 CA ALA K 54 20.747 122.164 77.989 1.00 21.13 C +ATOM 20302 C ALA K 54 19.976 123.329 77.346 1.00 20.80 C +ATOM 20303 O ALA K 54 18.765 123.288 77.184 1.00 21.63 O +ATOM 20304 CB ALA K 54 20.985 122.410 79.470 1.00 16.85 C +ATOM 20305 N GLU K 55 20.708 124.357 76.952 1.00 22.72 N +ATOM 20306 CA GLU K 55 20.129 125.485 76.228 1.00 24.21 C +ATOM 20307 C GLU K 55 19.567 125.030 74.853 1.00 23.98 C +ATOM 20308 O GLU K 55 18.458 125.431 74.460 1.00 23.55 O +ATOM 20309 CB GLU K 55 21.188 126.585 76.073 1.00 24.13 C +ATOM 20310 CG GLU K 55 21.547 127.264 77.405 1.00 26.67 C +ATOM 20311 CD GLU K 55 22.642 128.346 77.301 1.00 28.90 C +ATOM 20312 OE1 GLU K 55 23.696 128.124 76.643 1.00 35.06 O +ATOM 20313 OE2 GLU K 55 22.465 129.415 77.928 1.00 37.26 O +ATOM 20314 N LEU K 56 20.317 124.188 74.139 1.00 23.74 N +ATOM 20315 CA LEU K 56 19.851 123.662 72.852 1.00 23.33 C +ATOM 20316 C LEU K 56 18.615 122.784 72.996 1.00 24.74 C +ATOM 20317 O LEU K 56 17.676 122.880 72.205 1.00 25.86 O +ATOM 20318 CB LEU K 56 20.979 122.894 72.134 1.00 25.11 C +ATOM 20319 CG LEU K 56 20.666 122.230 70.775 1.00 26.05 C +ATOM 20320 CD1 LEU K 56 19.919 123.237 69.825 1.00 25.67 C +ATOM 20321 CD2 LEU K 56 21.960 121.719 70.166 1.00 20.07 C +ATOM 20322 N ALA K 57 18.610 121.902 73.989 1.00 24.75 N +ATOM 20323 CA ALA K 57 17.454 121.030 74.225 1.00 23.93 C +ATOM 20324 C ALA K 57 16.219 121.843 74.556 1.00 24.80 C +ATOM 20325 O ALA K 57 15.105 121.490 74.155 1.00 25.79 O +ATOM 20326 CB ALA K 57 17.742 120.022 75.353 1.00 20.53 C +ATOM 20327 N LEU K 58 16.409 122.920 75.311 1.00 24.87 N +ATOM 20328 CA LEU K 58 15.284 123.797 75.684 1.00 25.77 C +ATOM 20329 C LEU K 58 14.755 124.594 74.502 1.00 26.83 C +ATOM 20330 O LEU K 58 13.557 124.656 74.312 1.00 27.42 O +ATOM 20331 CB LEU K 58 15.633 124.732 76.849 1.00 24.16 C +ATOM 20332 CG LEU K 58 14.474 125.552 77.456 1.00 25.75 C +ATOM 20333 CD1 LEU K 58 13.371 124.670 78.068 1.00 22.43 C +ATOM 20334 CD2 LEU K 58 15.007 126.569 78.467 1.00 24.17 C +ATOM 20335 N SER K 59 15.632 125.193 73.697 1.00 28.23 N +ATOM 20336 CA SER K 59 15.163 126.054 72.598 1.00 31.09 C +ATOM 20337 C SER K 59 14.532 125.223 71.495 1.00 31.99 C +ATOM 20338 O SER K 59 13.526 125.630 70.902 1.00 34.20 O +ATOM 20339 CB SER K 59 16.278 126.914 72.030 1.00 28.36 C +ATOM 20340 OG SER K 59 17.330 126.111 71.548 1.00 37.94 O +ATOM 20341 N ARG K 60 15.108 124.050 71.252 1.00 32.13 N +ATOM 20342 CA ARG K 60 14.719 123.196 70.139 1.00 32.13 C +ATOM 20343 C ARG K 60 13.458 122.369 70.423 1.00 31.84 C +ATOM 20344 O ARG K 60 12.575 122.293 69.571 1.00 32.92 O +ATOM 20345 CB ARG K 60 15.874 122.290 69.765 1.00 30.20 C +ATOM 20346 CG ARG K 60 15.526 121.337 68.668 1.00 34.59 C +ATOM 20347 CD ARG K 60 16.755 120.847 68.013 1.00 35.61 C +ATOM 20348 NE ARG K 60 17.442 119.858 68.832 1.00 35.45 N +ATOM 20349 CZ ARG K 60 18.694 119.483 68.622 1.00 33.76 C +ATOM 20350 NH1 ARG K 60 19.375 120.003 67.611 1.00 35.04 N +ATOM 20351 NH2 ARG K 60 19.244 118.552 69.391 1.00 37.22 N +ATOM 20352 N SER K 61 13.378 121.752 71.599 1.00 30.76 N +ATOM 20353 CA SER K 61 12.281 120.831 71.908 1.00 30.14 C +ATOM 20354 C SER K 61 11.543 121.161 73.182 1.00 29.22 C +ATOM 20355 O SER K 61 10.628 120.433 73.590 1.00 29.15 O +ATOM 20356 CB SER K 61 12.805 119.402 72.012 1.00 28.41 C +ATOM 20357 OG SER K 61 13.690 119.124 70.946 1.00 35.25 O +ATOM 20358 N GLY K 62 11.920 122.244 73.836 1.00 28.32 N +ATOM 20359 CA GLY K 62 11.286 122.575 75.126 1.00 28.59 C +ATOM 20360 C GLY K 62 11.527 121.523 76.207 1.00 28.14 C +ATOM 20361 O GLY K 62 10.732 121.370 77.116 1.00 30.04 O +ATOM 20362 N VAL K 63 12.633 120.794 76.106 1.00 27.77 N +ATOM 20363 CA VAL K 63 13.066 119.859 77.151 1.00 25.83 C +ATOM 20364 C VAL K 63 13.969 120.655 78.110 1.00 25.14 C +ATOM 20365 O VAL K 63 15.008 121.216 77.686 1.00 24.72 O +ATOM 20366 CB VAL K 63 13.793 118.671 76.486 1.00 26.14 C +ATOM 20367 CG1 VAL K 63 14.540 117.813 77.502 1.00 26.11 C +ATOM 20368 CG2 VAL K 63 12.796 117.850 75.664 1.00 24.07 C +ATOM 20369 N ARG K 64 13.573 120.725 79.392 1.00 24.45 N +ATOM 20370 CA ARG K 64 14.309 121.509 80.391 1.00 23.90 C +ATOM 20371 C ARG K 64 15.149 120.613 81.316 1.00 23.21 C +ATOM 20372 O ARG K 64 14.626 119.718 82.005 1.00 22.09 O +ATOM 20373 CB ARG K 64 13.354 122.366 81.247 1.00 25.62 C +ATOM 20374 CG ARG K 64 14.083 123.473 82.078 1.00 25.79 C +ATOM 20375 CD ARG K 64 13.113 124.311 82.952 1.00 26.63 C +ATOM 20376 NE ARG K 64 12.232 125.172 82.150 1.00 28.82 N +ATOM 20377 CZ ARG K 64 10.958 124.900 81.823 1.00 30.32 C +ATOM 20378 NH1 ARG K 64 10.354 123.795 82.212 1.00 28.82 N +ATOM 20379 NH2 ARG K 64 10.268 125.766 81.095 1.00 32.74 N +ATOM 20380 N CYS K 65 16.445 120.890 81.331 1.00 22.48 N +ATOM 20381 CA CYS K 65 17.403 120.152 82.125 1.00 23.40 C +ATOM 20382 C CYS K 65 18.139 121.091 83.066 1.00 23.03 C +ATOM 20383 O CYS K 65 18.413 122.232 82.699 1.00 24.16 O +ATOM 20384 CB CYS K 65 18.418 119.510 81.181 1.00 24.10 C +ATOM 20385 SG CYS K 65 17.670 118.445 79.939 1.00 25.01 S +HETATM20386 N MSE K 66 18.464 120.608 84.267 1.00 21.17 N +HETATM20387 CA MSE K 66 19.216 121.388 85.229 1.00 19.12 C +HETATM20388 C MSE K 66 20.610 120.802 85.362 1.00 18.95 C +HETATM20389 O MSE K 66 20.765 119.601 85.662 1.00 17.83 O +HETATM20390 CB MSE K 66 18.537 121.402 86.590 1.00 19.79 C +HETATM20391 CG MSE K 66 19.340 122.151 87.619 1.00 21.62 C +HETATM20392 SE MSE K 66 19.614 124.016 87.147 0.75 18.95 SE +HETATM20393 CE MSE K 66 17.869 124.624 87.788 1.00 16.35 C +ATOM 20394 N VAL K 67 21.601 121.678 85.126 1.00 18.87 N +ATOM 20395 CA VAL K 67 22.993 121.355 85.252 1.00 18.00 C +ATOM 20396 C VAL K 67 23.437 121.704 86.688 1.00 18.78 C +ATOM 20397 O VAL K 67 23.514 122.857 87.099 1.00 18.90 O +ATOM 20398 CB VAL K 67 23.853 122.072 84.212 1.00 17.45 C +ATOM 20399 CG1 VAL K 67 25.348 121.582 84.308 1.00 16.64 C +ATOM 20400 CG2 VAL K 67 23.316 121.819 82.827 1.00 16.75 C +HETATM20401 N MSE K 68 23.707 120.664 87.448 1.00 18.55 N +HETATM20402 CA MSE K 68 24.074 120.813 88.848 1.00 18.76 C +HETATM20403 C MSE K 68 25.455 121.422 88.931 1.00 19.10 C +HETATM20404 O MSE K 68 26.178 121.440 87.929 1.00 19.72 O +HETATM20405 CB MSE K 68 24.077 119.449 89.534 1.00 18.42 C +HETATM20406 CG MSE K 68 22.737 118.818 89.589 1.00 21.91 C +HETATM20407 SE MSE K 68 21.435 119.829 90.608 0.75 28.14 SE +HETATM20408 CE MSE K 68 22.206 119.614 92.437 1.00 19.95 C +ATOM 20409 N PRO K 69 25.840 121.917 90.120 1.00 19.84 N +ATOM 20410 CA PRO K 69 27.207 122.364 90.257 1.00 21.44 C +ATOM 20411 C PRO K 69 28.200 121.201 90.146 1.00 21.91 C +ATOM 20412 O PRO K 69 27.911 120.099 90.611 1.00 20.94 O +ATOM 20413 CB PRO K 69 27.237 122.967 91.670 1.00 23.96 C +ATOM 20414 CG PRO K 69 25.834 123.119 92.055 1.00 22.28 C +ATOM 20415 CD PRO K 69 25.110 122.029 91.388 1.00 19.00 C +ATOM 20416 N PRO K 70 29.379 121.443 89.556 1.00 22.61 N +ATOM 20417 CA PRO K 70 30.378 120.383 89.361 1.00 21.53 C +ATOM 20418 C PRO K 70 30.973 119.811 90.649 1.00 21.98 C +ATOM 20419 O PRO K 70 31.180 120.546 91.625 1.00 23.13 O +ATOM 20420 CB PRO K 70 31.483 121.085 88.582 1.00 23.99 C +ATOM 20421 CG PRO K 70 30.854 122.360 88.021 1.00 22.86 C +ATOM 20422 CD PRO K 70 29.828 122.747 89.016 1.00 22.20 C +ATOM 20423 N VAL K 71 31.275 118.511 90.640 1.00 20.82 N +ATOM 20424 CA VAL K 71 31.889 117.848 91.771 1.00 18.29 C +ATOM 20425 C VAL K 71 33.372 117.850 91.534 1.00 17.08 C +ATOM 20426 O VAL K 71 33.818 117.274 90.553 1.00 17.52 O +ATOM 20427 CB VAL K 71 31.437 116.386 91.881 1.00 19.50 C +ATOM 20428 CG1 VAL K 71 31.903 115.792 93.170 1.00 13.54 C +ATOM 20429 CG2 VAL K 71 29.939 116.292 91.754 1.00 12.11 C +ATOM 20430 N PRO K 72 34.152 118.512 92.408 1.00 16.94 N +ATOM 20431 CA PRO K 72 35.602 118.632 92.153 1.00 18.12 C +ATOM 20432 C PRO K 72 36.466 117.510 92.710 1.00 18.29 C +ATOM 20433 O PRO K 72 37.689 117.704 92.896 1.00 22.04 O +ATOM 20434 CB PRO K 72 35.942 119.953 92.846 1.00 19.62 C +ATOM 20435 CG PRO K 72 35.101 119.916 94.066 1.00 21.98 C +ATOM 20436 CD PRO K 72 33.776 119.259 93.617 1.00 19.39 C +ATOM 20437 N PHE K 73 35.861 116.356 92.962 1.00 17.66 N +ATOM 20438 CA PHE K 73 36.554 115.263 93.630 1.00 17.48 C +ATOM 20439 C PHE K 73 36.752 114.065 92.694 1.00 17.34 C +ATOM 20440 O PHE K 73 35.874 113.254 92.526 1.00 17.99 O +ATOM 20441 CB PHE K 73 35.776 114.868 94.881 1.00 18.32 C +ATOM 20442 CG PHE K 73 35.622 115.986 95.872 1.00 20.82 C +ATOM 20443 CD1 PHE K 73 36.731 116.453 96.591 1.00 23.86 C +ATOM 20444 CD2 PHE K 73 34.383 116.566 96.095 1.00 17.59 C +ATOM 20445 CE1 PHE K 73 36.598 117.505 97.482 1.00 22.64 C +ATOM 20446 CE2 PHE K 73 34.235 117.616 96.983 1.00 20.59 C +ATOM 20447 CZ PHE K 73 35.328 118.095 97.685 1.00 17.99 C +ATOM 20448 N GLY K 74 37.931 113.971 92.100 1.00 18.30 N +ATOM 20449 CA GLY K 74 38.269 112.900 91.175 1.00 17.37 C +ATOM 20450 C GLY K 74 39.190 111.857 91.764 1.00 17.19 C +ATOM 20451 O GLY K 74 39.828 112.079 92.832 1.00 16.94 O +ATOM 20452 N ALA K 75 39.249 110.716 91.078 1.00 16.48 N +ATOM 20453 CA ALA K 75 40.105 109.596 91.444 1.00 16.91 C +ATOM 20454 C ALA K 75 41.397 109.726 90.649 1.00 18.30 C +ATOM 20455 O ALA K 75 41.353 109.837 89.426 1.00 20.09 O +ATOM 20456 CB ALA K 75 39.386 108.278 91.100 1.00 16.36 C +ATOM 20457 N HIS K 76 42.546 109.727 91.334 1.00 19.73 N +ATOM 20458 CA HIS K 76 43.849 110.029 90.730 1.00 19.35 C +ATOM 20459 C HIS K 76 44.877 108.906 90.848 1.00 20.76 C +ATOM 20460 O HIS K 76 44.629 107.889 91.473 1.00 20.03 O +ATOM 20461 CB HIS K 76 44.368 111.314 91.346 1.00 21.38 C +ATOM 20462 CG HIS K 76 43.540 112.487 90.951 1.00 20.99 C +ATOM 20463 ND1 HIS K 76 43.522 112.960 89.656 1.00 23.52 N +ATOM 20464 CD2 HIS K 76 42.588 113.177 91.623 1.00 23.11 C +ATOM 20465 CE1 HIS K 76 42.641 113.943 89.572 1.00 25.19 C +ATOM 20466 NE2 HIS K 76 42.065 114.097 90.753 1.00 18.65 N +ATOM 20467 N ASN K 77 46.010 109.087 90.184 1.00 20.60 N +ATOM 20468 CA ASN K 77 46.980 108.019 89.977 1.00 21.10 C +ATOM 20469 C ASN K 77 48.147 108.191 90.902 1.00 21.70 C +ATOM 20470 O ASN K 77 48.327 109.274 91.469 1.00 22.24 O +ATOM 20471 CB ASN K 77 47.483 108.049 88.531 1.00 20.24 C +ATOM 20472 CG ASN K 77 46.521 107.396 87.544 1.00 23.02 C +ATOM 20473 OD1 ASN K 77 45.313 107.543 87.648 1.00 26.41 O +ATOM 20474 ND2 ASN K 77 47.071 106.707 86.552 1.00 26.18 N +ATOM 20475 N PRO K 78 48.974 107.146 91.056 1.00 23.35 N +ATOM 20476 CA PRO K 78 50.208 107.302 91.820 1.00 23.31 C +ATOM 20477 C PRO K 78 51.068 108.415 91.225 1.00 23.07 C +ATOM 20478 O PRO K 78 51.102 108.613 90.005 1.00 23.30 O +ATOM 20479 CB PRO K 78 50.900 105.952 91.651 1.00 23.91 C +ATOM 20480 CG PRO K 78 49.805 105.021 91.391 1.00 24.25 C +ATOM 20481 CD PRO K 78 48.840 105.777 90.550 1.00 24.34 C +ATOM 20482 N GLY K 79 51.727 109.160 92.089 1.00 22.51 N +ATOM 20483 CA GLY K 79 52.502 110.317 91.643 1.00 23.95 C +ATOM 20484 C GLY K 79 51.720 111.607 91.555 1.00 23.96 C +ATOM 20485 O GLY K 79 52.319 112.680 91.582 1.00 26.47 O +ATOM 20486 N GLN K 80 50.397 111.538 91.473 1.00 23.37 N +ATOM 20487 CA GLN K 80 49.604 112.770 91.356 1.00 23.98 C +ATOM 20488 C GLN K 80 49.252 113.434 92.689 1.00 24.75 C +ATOM 20489 O GLN K 80 49.162 114.664 92.772 1.00 24.74 O +ATOM 20490 CB GLN K 80 48.319 112.522 90.607 1.00 24.73 C +ATOM 20491 CG GLN K 80 48.475 112.481 89.129 1.00 25.25 C +ATOM 20492 CD GLN K 80 47.131 112.374 88.460 1.00 25.53 C +ATOM 20493 OE1 GLN K 80 46.420 111.349 88.592 1.00 26.00 O +ATOM 20494 NE2 GLN K 80 46.754 113.428 87.750 1.00 21.30 N +ATOM 20495 N ARG K 81 49.037 112.615 93.708 1.00 24.29 N +ATOM 20496 CA ARG K 81 48.665 113.101 95.027 1.00 26.58 C +ATOM 20497 C ARG K 81 49.772 113.973 95.690 1.00 26.62 C +ATOM 20498 O ARG K 81 49.481 114.886 96.456 1.00 27.34 O +ATOM 20499 CB ARG K 81 48.289 111.882 95.890 1.00 27.64 C +ATOM 20500 CG ARG K 81 47.556 112.183 97.150 1.00 30.48 C +ATOM 20501 CD ARG K 81 47.236 110.927 97.951 1.00 28.38 C +ATOM 20502 NE ARG K 81 48.418 110.109 98.273 1.00 36.05 N +ATOM 20503 CZ ARG K 81 48.439 109.148 99.205 1.00 37.77 C +ATOM 20504 NH1 ARG K 81 47.372 108.923 99.934 1.00 32.06 N +ATOM 20505 NH2 ARG K 81 49.532 108.417 99.446 1.00 38.88 N +ATOM 20506 N GLU K 82 51.035 113.691 95.369 1.00 26.77 N +ATOM 20507 CA GLU K 82 52.161 114.491 95.834 1.00 30.00 C +ATOM 20508 C GLU K 82 52.294 115.862 95.139 1.00 26.99 C +ATOM 20509 O GLU K 82 53.116 116.680 95.561 1.00 26.53 O +ATOM 20510 CB GLU K 82 53.482 113.711 95.622 1.00 31.72 C +ATOM 20511 CG GLU K 82 53.898 113.652 94.145 1.00 36.96 C +ATOM 20512 CD GLU K 82 55.068 112.689 93.831 1.00 40.59 C +ATOM 20513 OE1 GLU K 82 54.917 111.468 94.083 1.00 55.48 O +ATOM 20514 OE2 GLU K 82 56.114 113.156 93.281 1.00 52.27 O +ATOM 20515 N LEU K 83 51.546 116.086 94.056 1.00 24.98 N +ATOM 20516 CA LEU K 83 51.561 117.352 93.367 1.00 24.31 C +ATOM 20517 C LEU K 83 50.701 118.302 94.145 1.00 23.37 C +ATOM 20518 O LEU K 83 49.613 117.932 94.578 1.00 22.09 O +ATOM 20519 CB LEU K 83 51.037 117.218 91.931 1.00 24.97 C +ATOM 20520 CG LEU K 83 51.918 116.375 90.996 1.00 28.08 C +ATOM 20521 CD1 LEU K 83 51.196 116.071 89.720 1.00 22.42 C +ATOM 20522 CD2 LEU K 83 53.306 117.067 90.737 1.00 29.35 C +ATOM 20523 N PRO K 84 51.168 119.546 94.306 1.00 23.68 N +ATOM 20524 CA PRO K 84 50.469 120.495 95.169 1.00 23.02 C +ATOM 20525 C PRO K 84 49.022 120.748 94.789 1.00 21.61 C +ATOM 20526 O PRO K 84 48.702 120.992 93.621 1.00 21.73 O +ATOM 20527 CB PRO K 84 51.301 121.782 95.050 1.00 24.54 C +ATOM 20528 CG PRO K 84 52.209 121.568 93.826 1.00 27.28 C +ATOM 20529 CD PRO K 84 52.415 120.112 93.734 1.00 25.01 C +ATOM 20530 N PHE K 85 48.162 120.670 95.793 1.00 21.33 N +ATOM 20531 CA PHE K 85 46.717 120.896 95.649 1.00 21.09 C +ATOM 20532 C PHE K 85 45.909 119.894 94.804 1.00 20.76 C +ATOM 20533 O PHE K 85 44.720 120.120 94.599 1.00 22.33 O +ATOM 20534 CB PHE K 85 46.477 122.335 95.176 1.00 22.58 C +ATOM 20535 CG PHE K 85 47.387 123.319 95.816 1.00 21.61 C +ATOM 20536 CD1 PHE K 85 47.435 123.428 97.204 1.00 26.73 C +ATOM 20537 CD2 PHE K 85 48.189 124.142 95.045 1.00 21.81 C +ATOM 20538 CE1 PHE K 85 48.303 124.344 97.832 1.00 25.07 C +ATOM 20539 CE2 PHE K 85 49.058 125.080 95.657 1.00 26.89 C +ATOM 20540 CZ PHE K 85 49.107 125.181 97.046 1.00 23.36 C +ATOM 20541 N CYS K 86 46.530 118.796 94.362 1.00 20.76 N +ATOM 20542 CA CYS K 86 45.806 117.675 93.768 1.00 21.28 C +ATOM 20543 C CYS K 86 45.098 116.877 94.860 1.00 21.54 C +ATOM 20544 O CYS K 86 45.732 116.515 95.855 1.00 23.15 O +ATOM 20545 CB CYS K 86 46.757 116.740 93.002 1.00 21.08 C +ATOM 20546 SG CYS K 86 45.907 115.348 92.182 1.00 25.07 S +ATOM 20547 N ILE K 87 43.795 116.623 94.703 1.00 19.16 N +ATOM 20548 CA ILE K 87 43.049 115.942 95.752 1.00 19.75 C +ATOM 20549 C ILE K 87 42.544 114.599 95.275 1.00 18.96 C +ATOM 20550 O ILE K 87 41.618 114.573 94.465 1.00 19.08 O +ATOM 20551 CB ILE K 87 41.827 116.769 96.228 1.00 19.47 C +ATOM 20552 CG1 ILE K 87 42.270 118.155 96.736 1.00 19.04 C +ATOM 20553 CG2 ILE K 87 41.045 115.985 97.317 1.00 18.13 C +ATOM 20554 CD1 ILE K 87 43.336 118.165 97.914 1.00 16.67 C +ATOM 20555 N HIS K 88 43.162 113.506 95.749 1.00 18.44 N +ATOM 20556 CA HIS K 88 42.711 112.143 95.419 1.00 18.03 C +ATOM 20557 C HIS K 88 41.495 111.780 96.279 1.00 17.71 C +ATOM 20558 O HIS K 88 41.536 111.913 97.504 1.00 17.19 O +ATOM 20559 CB HIS K 88 43.810 111.082 95.623 1.00 18.85 C +ATOM 20560 CG HIS K 88 43.288 109.676 95.476 1.00 22.38 C +ATOM 20561 ND1 HIS K 88 42.799 109.190 94.281 1.00 18.07 N +ATOM 20562 CD2 HIS K 88 43.100 108.691 96.387 1.00 17.95 C +ATOM 20563 CE1 HIS K 88 42.338 107.970 94.460 1.00 19.04 C +ATOM 20564 NE2 HIS K 88 42.495 107.647 95.731 1.00 21.90 N +ATOM 20565 N THR K 89 40.421 111.346 95.608 1.00 17.63 N +ATOM 20566 CA THR K 89 39.201 110.908 96.241 1.00 17.38 C +ATOM 20567 C THR K 89 39.029 109.381 96.095 1.00 16.91 C +ATOM 20568 O THR K 89 39.018 108.840 94.978 1.00 17.77 O +ATOM 20569 CB THR K 89 38.006 111.622 95.584 1.00 17.19 C +ATOM 20570 OG1 THR K 89 38.403 112.950 95.276 1.00 20.70 O +ATOM 20571 CG2 THR K 89 36.795 111.655 96.503 1.00 16.41 C +ATOM 20572 N ARG K 90 38.893 108.683 97.214 1.00 14.83 N +ATOM 20573 CA ARG K 90 38.618 107.245 97.184 1.00 15.72 C +ATOM 20574 C ARG K 90 37.255 106.953 96.522 1.00 17.16 C +ATOM 20575 O ARG K 90 36.354 107.795 96.543 1.00 16.22 O +ATOM 20576 CB ARG K 90 38.576 106.720 98.608 1.00 16.33 C +ATOM 20577 CG ARG K 90 39.881 106.702 99.286 1.00 18.71 C +ATOM 20578 CD ARG K 90 39.704 106.359 100.766 1.00 21.02 C +ATOM 20579 NE ARG K 90 39.140 107.480 101.501 1.00 25.61 N +ATOM 20580 CZ ARG K 90 38.804 107.459 102.787 1.00 26.17 C +ATOM 20581 NH1 ARG K 90 38.959 106.363 103.513 1.00 27.99 N +ATOM 20582 NH2 ARG K 90 38.346 108.555 103.354 1.00 23.63 N +ATOM 20583 N TYR K 91 37.122 105.757 95.934 1.00 17.63 N +ATOM 20584 CA TYR K 91 35.885 105.330 95.316 1.00 17.62 C +ATOM 20585 C TYR K 91 34.774 105.475 96.308 1.00 15.38 C +ATOM 20586 O TYR K 91 33.724 105.927 95.961 1.00 17.90 O +ATOM 20587 CB TYR K 91 35.938 103.848 94.863 1.00 18.93 C +ATOM 20588 CG TYR K 91 34.852 103.456 93.885 1.00 18.57 C +ATOM 20589 CD1 TYR K 91 33.626 102.929 94.306 1.00 18.30 C +ATOM 20590 CD2 TYR K 91 35.058 103.609 92.525 1.00 24.72 C +ATOM 20591 CE1 TYR K 91 32.643 102.578 93.367 1.00 21.02 C +ATOM 20592 CE2 TYR K 91 34.097 103.255 91.587 1.00 26.60 C +ATOM 20593 CZ TYR K 91 32.889 102.737 91.999 1.00 26.39 C +ATOM 20594 OH TYR K 91 31.962 102.419 90.992 1.00 28.35 O +ATOM 20595 N ALA K 92 35.000 105.030 97.530 1.00 16.24 N +ATOM 20596 CA ALA K 92 33.985 105.021 98.571 1.00 16.08 C +ATOM 20597 C ALA K 92 33.477 106.432 98.883 1.00 15.82 C +ATOM 20598 O ALA K 92 32.294 106.655 99.236 1.00 15.40 O +ATOM 20599 CB ALA K 92 34.563 104.383 99.821 1.00 15.37 C +ATOM 20600 N THR K 93 34.380 107.392 98.776 1.00 15.21 N +ATOM 20601 CA THR K 93 34.023 108.768 99.029 1.00 14.73 C +ATOM 20602 C THR K 93 33.135 109.310 97.922 1.00 16.02 C +ATOM 20603 O THR K 93 32.112 109.919 98.223 1.00 16.10 O +ATOM 20604 CB THR K 93 35.221 109.621 99.206 1.00 14.33 C +ATOM 20605 OG1 THR K 93 35.996 109.085 100.299 1.00 15.59 O +ATOM 20606 CG2 THR K 93 34.784 111.098 99.466 1.00 12.46 C +ATOM 20607 N GLN K 94 33.505 109.041 96.658 1.00 16.94 N +ATOM 20608 CA GLN K 94 32.675 109.410 95.491 1.00 16.11 C +ATOM 20609 C GLN K 94 31.327 108.708 95.545 1.00 15.56 C +ATOM 20610 O GLN K 94 30.305 109.300 95.241 1.00 16.09 O +ATOM 20611 CB GLN K 94 33.361 109.040 94.166 1.00 16.12 C +ATOM 20612 CG GLN K 94 34.722 109.704 93.922 1.00 18.06 C +ATOM 20613 CD GLN K 94 35.354 109.271 92.642 1.00 18.97 C +ATOM 20614 OE1 GLN K 94 35.401 108.076 92.319 1.00 21.58 O +ATOM 20615 NE2 GLN K 94 35.846 110.244 91.878 1.00 20.44 N +ATOM 20616 N GLN K 95 31.325 107.434 95.907 1.00 16.79 N +ATOM 20617 CA GLN K 95 30.071 106.699 96.032 1.00 16.88 C +ATOM 20618 C GLN K 95 29.175 107.328 97.089 1.00 15.81 C +ATOM 20619 O GLN K 95 27.962 107.423 96.875 1.00 17.51 O +ATOM 20620 CB GLN K 95 30.298 105.207 96.323 1.00 18.07 C +ATOM 20621 CG GLN K 95 29.013 104.378 96.286 1.00 21.06 C +ATOM 20622 CD GLN K 95 29.232 102.874 96.509 1.00 27.82 C +ATOM 20623 OE1 GLN K 95 30.195 102.271 96.010 1.00 35.38 O +ATOM 20624 NE2 GLN K 95 28.309 102.262 97.237 1.00 40.32 N +ATOM 20625 N ALA K 96 29.733 107.708 98.241 1.00 15.66 N +ATOM 20626 CA ALA K 96 28.944 108.359 99.290 1.00 15.35 C +ATOM 20627 C ALA K 96 28.367 109.687 98.795 1.00 16.45 C +ATOM 20628 O ALA K 96 27.196 110.011 99.053 1.00 14.49 O +ATOM 20629 CB ALA K 96 29.781 108.535 100.570 1.00 12.84 C +ATOM 20630 N ILE K 97 29.144 110.448 98.040 1.00 15.77 N +ATOM 20631 CA ILE K 97 28.585 111.669 97.410 1.00 14.62 C +ATOM 20632 C ILE K 97 27.376 111.409 96.493 1.00 15.90 C +ATOM 20633 O ILE K 97 26.315 112.060 96.602 1.00 15.90 O +ATOM 20634 CB ILE K 97 29.675 112.444 96.612 1.00 15.94 C +ATOM 20635 CG1 ILE K 97 30.702 113.067 97.576 1.00 14.68 C +ATOM 20636 CG2 ILE K 97 29.046 113.579 95.744 1.00 16.45 C +ATOM 20637 CD1 ILE K 97 32.022 113.431 96.932 1.00 13.66 C +ATOM 20638 N LEU K 98 27.559 110.490 95.555 1.00 16.48 N +ATOM 20639 CA LEU K 98 26.544 110.181 94.542 1.00 16.90 C +ATOM 20640 C LEU K 98 25.287 109.697 95.213 1.00 17.22 C +ATOM 20641 O LEU K 98 24.204 110.130 94.847 1.00 17.83 O +ATOM 20642 CB LEU K 98 27.046 109.129 93.532 1.00 16.93 C +ATOM 20643 CG LEU K 98 26.211 108.994 92.244 1.00 17.04 C +ATOM 20644 CD1 LEU K 98 26.185 110.301 91.494 1.00 15.33 C +ATOM 20645 CD2 LEU K 98 26.719 107.880 91.342 1.00 15.59 C +ATOM 20646 N GLU K 99 25.458 108.808 96.191 1.00 17.99 N +ATOM 20647 CA GLU K 99 24.371 108.349 97.089 1.00 18.34 C +ATOM 20648 C GLU K 99 23.569 109.525 97.678 1.00 17.56 C +ATOM 20649 O GLU K 99 22.341 109.543 97.632 1.00 17.80 O +ATOM 20650 CB GLU K 99 24.957 107.475 98.230 1.00 17.72 C +ATOM 20651 CG GLU K 99 25.161 106.046 97.841 1.00 20.03 C +ATOM 20652 CD GLU K 99 25.921 105.178 98.852 1.00 22.86 C +ATOM 20653 OE1 GLU K 99 26.298 105.637 99.961 1.00 23.14 O +ATOM 20654 OE2 GLU K 99 26.146 103.989 98.510 1.00 26.92 O +ATOM 20655 N ASP K 100 24.261 110.486 98.264 1.00 16.85 N +ATOM 20656 CA ASP K 100 23.607 111.673 98.839 1.00 17.15 C +ATOM 20657 C ASP K 100 22.905 112.540 97.766 1.00 17.44 C +ATOM 20658 O ASP K 100 21.806 113.026 97.998 1.00 18.52 O +ATOM 20659 CB ASP K 100 24.613 112.485 99.660 1.00 18.96 C +ATOM 20660 CG ASP K 100 25.064 111.776 100.945 1.00 21.06 C +ATOM 20661 OD1 ASP K 100 24.510 110.730 101.310 1.00 23.74 O +ATOM 20662 OD2 ASP K 100 26.002 112.253 101.594 1.00 17.48 O +ATOM 20663 N ILE K 101 23.509 112.699 96.586 1.00 17.51 N +ATOM 20664 CA ILE K 101 22.901 113.465 95.506 1.00 15.77 C +ATOM 20665 C ILE K 101 21.616 112.784 95.064 1.00 16.93 C +ATOM 20666 O ILE K 101 20.571 113.408 95.030 1.00 17.60 O +ATOM 20667 CB ILE K 101 23.861 113.671 94.275 1.00 15.91 C +ATOM 20668 CG1 ILE K 101 24.958 114.708 94.605 1.00 16.00 C +ATOM 20669 CG2 ILE K 101 23.076 114.140 93.017 1.00 14.96 C +ATOM 20670 CD1 ILE K 101 26.319 114.535 93.809 1.00 14.41 C +ATOM 20671 N VAL K 102 21.711 111.481 94.780 1.00 17.57 N +ATOM 20672 CA VAL K 102 20.590 110.705 94.262 1.00 17.62 C +ATOM 20673 C VAL K 102 19.464 110.693 95.288 1.00 18.30 C +ATOM 20674 O VAL K 102 18.318 110.944 94.940 1.00 19.16 O +ATOM 20675 CB VAL K 102 21.056 109.272 93.812 1.00 19.88 C +ATOM 20676 CG1 VAL K 102 19.876 108.370 93.521 1.00 18.69 C +ATOM 20677 CG2 VAL K 102 21.937 109.380 92.567 1.00 15.71 C +ATOM 20678 N SER K 103 19.787 110.469 96.559 1.00 17.44 N +ATOM 20679 CA SER K 103 18.762 110.400 97.592 1.00 17.73 C +ATOM 20680 C SER K 103 17.969 111.705 97.666 1.00 18.66 C +ATOM 20681 O SER K 103 16.762 111.682 97.798 1.00 19.31 O +ATOM 20682 CB SER K 103 19.390 110.078 98.938 1.00 20.68 C +ATOM 20683 OG SER K 103 18.530 110.415 100.017 1.00 25.42 O +ATOM 20684 N SER K 104 18.651 112.845 97.559 1.00 18.56 N +ATOM 20685 CA SER K 104 17.962 114.137 97.581 1.00 18.10 C +ATOM 20686 C SER K 104 17.135 114.377 96.320 1.00 17.45 C +ATOM 20687 O SER K 104 15.951 114.744 96.404 1.00 18.33 O +ATOM 20688 CB SER K 104 18.966 115.273 97.862 1.00 18.98 C +ATOM 20689 OG SER K 104 19.445 115.163 99.224 1.00 21.11 O +ATOM 20690 N LEU K 105 17.726 114.164 95.152 1.00 17.83 N +ATOM 20691 CA LEU K 105 16.976 114.317 93.892 1.00 17.83 C +ATOM 20692 C LEU K 105 15.738 113.420 93.830 1.00 18.91 C +ATOM 20693 O LEU K 105 14.682 113.823 93.331 1.00 18.72 O +ATOM 20694 CB LEU K 105 17.877 114.067 92.685 1.00 18.98 C +ATOM 20695 CG LEU K 105 19.041 115.060 92.458 1.00 19.44 C +ATOM 20696 CD1 LEU K 105 19.827 114.563 91.253 1.00 12.26 C +ATOM 20697 CD2 LEU K 105 18.583 116.544 92.284 1.00 17.94 C +ATOM 20698 N HIS K 106 15.844 112.217 94.363 1.00 19.05 N +ATOM 20699 CA HIS K 106 14.733 111.318 94.341 1.00 21.29 C +ATOM 20700 C HIS K 106 13.572 111.786 95.220 1.00 21.10 C +ATOM 20701 O HIS K 106 12.407 111.722 94.814 1.00 22.85 O +ATOM 20702 CB HIS K 106 15.211 109.933 94.751 1.00 23.03 C +ATOM 20703 CG HIS K 106 14.190 108.877 94.565 1.00 19.41 C +ATOM 20704 ND1 HIS K 106 13.239 108.602 95.511 1.00 25.30 N +ATOM 20705 CD2 HIS K 106 13.992 108.000 93.559 1.00 24.00 C +ATOM 20706 CE1 HIS K 106 12.481 107.613 95.087 1.00 26.98 C +ATOM 20707 NE2 HIS K 106 12.916 107.237 93.902 1.00 24.36 N +ATOM 20708 N VAL K 107 13.887 112.250 96.418 1.00 21.72 N +ATOM 20709 CA VAL K 107 12.886 112.835 97.321 1.00 22.80 C +ATOM 20710 C VAL K 107 12.188 114.034 96.654 1.00 22.18 C +ATOM 20711 O VAL K 107 11.004 114.234 96.840 1.00 22.55 O +ATOM 20712 CB VAL K 107 13.530 113.235 98.681 1.00 22.35 C +ATOM 20713 CG1 VAL K 107 12.549 114.026 99.547 1.00 26.01 C +ATOM 20714 CG2 VAL K 107 13.994 111.976 99.394 1.00 26.70 C +ATOM 20715 N GLN K 108 12.941 114.786 95.855 1.00 21.75 N +ATOM 20716 CA GLN K 108 12.433 115.930 95.094 1.00 21.43 C +ATOM 20717 C GLN K 108 11.563 115.499 93.905 1.00 23.20 C +ATOM 20718 O GLN K 108 10.964 116.343 93.250 1.00 23.93 O +ATOM 20719 CB GLN K 108 13.623 116.797 94.609 1.00 20.20 C +ATOM 20720 CG GLN K 108 14.376 117.484 95.751 1.00 16.91 C +ATOM 20721 CD GLN K 108 15.842 117.807 95.465 1.00 21.53 C +ATOM 20722 OE1 GLN K 108 16.273 117.900 94.297 1.00 19.94 O +ATOM 20723 NE2 GLN K 108 16.602 118.070 96.540 1.00 14.07 N +ATOM 20724 N GLY K 109 11.518 114.205 93.576 1.00 22.77 N +ATOM 20725 CA GLY K 109 10.685 113.736 92.481 1.00 21.96 C +ATOM 20726 C GLY K 109 11.382 113.517 91.138 1.00 22.31 C +ATOM 20727 O GLY K 109 10.729 113.134 90.184 1.00 21.71 O +ATOM 20728 N PHE K 110 12.701 113.751 91.062 1.00 21.18 N +ATOM 20729 CA PHE K 110 13.453 113.583 89.836 1.00 19.60 C +ATOM 20730 C PHE K 110 13.739 112.127 89.619 1.00 20.60 C +ATOM 20731 O PHE K 110 13.893 111.386 90.577 1.00 21.46 O +ATOM 20732 CB PHE K 110 14.748 114.416 89.867 1.00 19.39 C +ATOM 20733 CG PHE K 110 14.495 115.882 90.028 1.00 19.91 C +ATOM 20734 CD1 PHE K 110 13.695 116.563 89.105 1.00 22.36 C +ATOM 20735 CD2 PHE K 110 14.977 116.587 91.128 1.00 20.33 C +ATOM 20736 CE1 PHE K 110 13.410 117.913 89.261 1.00 19.60 C +ATOM 20737 CE2 PHE K 110 14.692 117.960 91.276 1.00 21.63 C +ATOM 20738 CZ PHE K 110 13.916 118.613 90.332 1.00 20.56 C +ATOM 20739 N ARG K 111 13.766 111.686 88.358 1.00 20.23 N +ATOM 20740 CA ARG K 111 13.953 110.266 88.048 1.00 21.77 C +ATOM 20741 C ARG K 111 14.956 110.018 86.925 1.00 20.50 C +ATOM 20742 O ARG K 111 15.116 108.891 86.481 1.00 20.55 O +ATOM 20743 CB ARG K 111 12.607 109.605 87.714 1.00 22.16 C +ATOM 20744 CG ARG K 111 11.585 109.687 88.812 1.00 21.72 C +ATOM 20745 CD ARG K 111 12.041 108.881 90.013 1.00 22.81 C +ATOM 20746 NE ARG K 111 11.016 108.768 91.048 1.00 25.68 N +ATOM 20747 CZ ARG K 111 10.912 109.554 92.107 1.00 23.79 C +ATOM 20748 NH1 ARG K 111 11.791 110.520 92.318 1.00 24.87 N +ATOM 20749 NH2 ARG K 111 9.947 109.354 92.975 1.00 24.57 N +ATOM 20750 N LYS K 112 15.642 111.056 86.479 1.00 19.85 N +ATOM 20751 CA LYS K 112 16.608 110.918 85.388 1.00 20.26 C +ATOM 20752 C LYS K 112 17.828 111.806 85.608 1.00 19.50 C +ATOM 20753 O LYS K 112 17.690 113.004 85.798 1.00 18.86 O +ATOM 20754 CB LYS K 112 15.958 111.261 84.054 1.00 21.63 C +ATOM 20755 CG LYS K 112 14.839 110.312 83.653 1.00 27.85 C +ATOM 20756 CD LYS K 112 14.022 110.920 82.533 1.00 35.57 C +ATOM 20757 CE LYS K 112 12.953 109.970 82.052 1.00 40.41 C +ATOM 20758 NZ LYS K 112 12.133 110.656 81.035 1.00 45.24 N +ATOM 20759 N LEU K 113 19.006 111.189 85.586 1.00 19.04 N +ATOM 20760 CA LEU K 113 20.274 111.857 85.878 1.00 18.29 C +ATOM 20761 C LEU K 113 21.325 111.418 84.868 1.00 17.81 C +ATOM 20762 O LEU K 113 21.484 110.238 84.638 1.00 18.83 O +ATOM 20763 CB LEU K 113 20.738 111.500 87.314 1.00 17.48 C +ATOM 20764 CG LEU K 113 22.094 112.052 87.823 1.00 19.01 C +ATOM 20765 CD1 LEU K 113 22.068 113.613 87.913 1.00 13.73 C +ATOM 20766 CD2 LEU K 113 22.511 111.374 89.175 1.00 16.31 C +ATOM 20767 N LEU K 114 22.066 112.367 84.294 1.00 17.84 N +ATOM 20768 CA LEU K 114 23.268 112.069 83.528 1.00 17.53 C +ATOM 20769 C LEU K 114 24.479 112.549 84.299 1.00 17.76 C +ATOM 20770 O LEU K 114 24.571 113.741 84.611 1.00 18.74 O +ATOM 20771 CB LEU K 114 23.267 112.756 82.137 1.00 18.46 C +ATOM 20772 CG LEU K 114 24.607 112.622 81.380 1.00 17.25 C +ATOM 20773 CD1 LEU K 114 24.930 111.197 80.943 1.00 16.17 C +ATOM 20774 CD2 LEU K 114 24.722 113.556 80.174 1.00 16.31 C +ATOM 20775 N ILE K 115 25.427 111.648 84.578 1.00 17.29 N +ATOM 20776 CA ILE K 115 26.692 112.089 85.102 1.00 17.83 C +ATOM 20777 C ILE K 115 27.596 112.385 83.909 1.00 18.59 C +ATOM 20778 O ILE K 115 27.891 111.467 83.112 1.00 18.40 O +ATOM 20779 CB ILE K 115 27.388 111.059 86.022 1.00 18.00 C +ATOM 20780 CG1 ILE K 115 26.464 110.575 87.120 1.00 17.95 C +ATOM 20781 CG2 ILE K 115 28.612 111.727 86.673 1.00 18.35 C +ATOM 20782 CD1 ILE K 115 27.063 109.418 88.003 1.00 14.29 C +ATOM 20783 N LEU K 116 28.037 113.641 83.781 1.00 17.60 N +ATOM 20784 CA LEU K 116 28.907 114.017 82.685 1.00 16.93 C +ATOM 20785 C LEU K 116 30.289 114.306 83.234 1.00 17.89 C +ATOM 20786 O LEU K 116 30.542 115.390 83.762 1.00 18.35 O +ATOM 20787 CB LEU K 116 28.380 115.268 81.958 1.00 16.57 C +ATOM 20788 CG LEU K 116 29.147 115.644 80.672 1.00 17.39 C +ATOM 20789 CD1 LEU K 116 29.104 114.504 79.682 1.00 14.09 C +ATOM 20790 CD2 LEU K 116 28.629 116.981 80.065 1.00 16.17 C +ATOM 20791 N SER K 117 31.188 113.363 83.076 1.00 18.06 N +ATOM 20792 CA SER K 117 32.488 113.457 83.688 1.00 18.50 C +ATOM 20793 C SER K 117 33.456 114.215 82.789 1.00 20.41 C +ATOM 20794 O SER K 117 33.371 114.128 81.559 1.00 20.76 O +ATOM 20795 CB SER K 117 33.029 112.052 83.945 1.00 18.50 C +ATOM 20796 OG SER K 117 34.332 112.070 84.528 1.00 22.03 O +ATOM 20797 N GLY K 118 34.378 114.941 83.423 1.00 20.91 N +ATOM 20798 CA GLY K 118 35.474 115.606 82.759 1.00 20.71 C +ATOM 20799 C GLY K 118 36.808 114.959 83.040 1.00 20.01 C +ATOM 20800 O GLY K 118 37.802 115.375 82.470 1.00 20.95 O +ATOM 20801 N HIS K 119 36.813 113.933 83.891 1.00 19.69 N +ATOM 20802 CA HIS K 119 38.026 113.245 84.319 1.00 21.07 C +ATOM 20803 C HIS K 119 37.934 111.745 84.044 1.00 22.25 C +ATOM 20804 O HIS K 119 37.051 111.068 84.536 1.00 23.51 O +ATOM 20805 CB HIS K 119 38.241 113.523 85.818 1.00 22.21 C +ATOM 20806 CG HIS K 119 39.401 112.798 86.413 1.00 21.26 C +ATOM 20807 ND1 HIS K 119 40.697 113.000 85.992 1.00 22.55 N +ATOM 20808 CD2 HIS K 119 39.467 111.888 87.415 1.00 21.26 C +ATOM 20809 CE1 HIS K 119 41.515 112.233 86.691 1.00 21.56 C +ATOM 20810 NE2 HIS K 119 40.793 111.555 87.571 1.00 23.43 N +ATOM 20811 N GLY K 120 38.862 111.235 83.247 1.00 23.13 N +ATOM 20812 CA GLY K 120 38.844 109.835 82.800 1.00 23.08 C +ATOM 20813 C GLY K 120 39.104 108.828 83.898 1.00 23.70 C +ATOM 20814 O GLY K 120 38.710 107.659 83.782 1.00 24.89 O +ATOM 20815 N GLY K 121 39.762 109.296 84.956 1.00 23.66 N +ATOM 20816 CA GLY K 121 40.011 108.528 86.165 1.00 22.91 C +ATOM 20817 C GLY K 121 38.771 108.189 86.959 1.00 22.77 C +ATOM 20818 O GLY K 121 38.775 107.219 87.699 1.00 23.26 O +ATOM 20819 N ASN K 122 37.697 108.946 86.766 1.00 22.36 N +ATOM 20820 CA ASN K 122 36.420 108.633 87.371 1.00 21.88 C +ATOM 20821 C ASN K 122 35.705 107.490 86.628 1.00 22.49 C +ATOM 20822 O ASN K 122 35.618 107.492 85.389 1.00 21.77 O +ATOM 20823 CB ASN K 122 35.502 109.860 87.345 1.00 22.04 C +ATOM 20824 CG ASN K 122 36.044 111.026 88.139 1.00 21.58 C +ATOM 20825 OD1 ASN K 122 36.758 110.846 89.136 1.00 18.40 O +ATOM 20826 ND2 ASN K 122 35.673 112.235 87.726 1.00 16.97 N +ATOM 20827 N ASN K 123 35.159 106.553 87.399 1.00 21.06 N +ATOM 20828 CA ASN K 123 34.504 105.394 86.874 1.00 22.34 C +ATOM 20829 C ASN K 123 33.260 105.229 87.714 1.00 20.88 C +ATOM 20830 O ASN K 123 33.352 105.162 88.959 1.00 21.74 O +ATOM 20831 CB ASN K 123 35.420 104.165 87.037 1.00 26.08 C +ATOM 20832 CG ASN K 123 36.557 104.125 86.027 1.00 29.63 C +ATOM 20833 OD1 ASN K 123 36.325 104.058 84.818 1.00 37.04 O +ATOM 20834 ND2 ASN K 123 37.800 104.125 86.527 1.00 28.88 N +ATOM 20835 N PHE K 124 32.100 105.177 87.063 1.00 20.19 N +ATOM 20836 CA PHE K 124 30.801 105.238 87.762 1.00 19.14 C +ATOM 20837 C PHE K 124 29.926 104.007 87.585 1.00 18.98 C +ATOM 20838 O PHE K 124 28.888 103.916 88.217 1.00 19.64 O +ATOM 20839 CB PHE K 124 30.020 106.483 87.306 1.00 20.36 C +ATOM 20840 CG PHE K 124 30.726 107.772 87.612 1.00 21.71 C +ATOM 20841 CD1 PHE K 124 30.740 108.284 88.901 1.00 20.80 C +ATOM 20842 CD2 PHE K 124 31.387 108.475 86.630 1.00 20.08 C +ATOM 20843 CE1 PHE K 124 31.396 109.472 89.190 1.00 17.86 C +ATOM 20844 CE2 PHE K 124 32.049 109.675 86.929 1.00 17.40 C +ATOM 20845 CZ PHE K 124 32.056 110.164 88.197 1.00 16.49 C +ATOM 20846 N LYS K 125 30.347 103.045 86.760 1.00 19.17 N +ATOM 20847 CA LYS K 125 29.512 101.932 86.422 1.00 18.96 C +ATOM 20848 C LYS K 125 29.079 101.074 87.640 1.00 19.01 C +ATOM 20849 O LYS K 125 27.911 100.656 87.710 1.00 20.73 O +ATOM 20850 CB LYS K 125 30.227 101.039 85.411 1.00 21.31 C +ATOM 20851 CG LYS K 125 30.466 101.636 84.031 1.00 19.23 C +ATOM 20852 CD LYS K 125 30.814 100.541 83.021 1.00 22.43 C +ATOM 20853 CE LYS K 125 31.207 101.115 81.649 1.00 27.71 C +ATOM 20854 NZ LYS K 125 32.676 101.424 81.630 1.00 36.27 N +ATOM 20855 N GLY K 126 30.018 100.762 88.546 1.00 17.76 N +ATOM 20856 CA GLY K 126 29.714 100.064 89.797 1.00 18.10 C +ATOM 20857 C GLY K 126 28.772 100.832 90.724 1.00 19.44 C +ATOM 20858 O GLY K 126 27.893 100.266 91.366 1.00 17.75 O +HETATM20859 N MSE K 127 28.955 102.142 90.788 1.00 19.50 N +HETATM20860 CA MSE K 127 28.117 102.972 91.614 1.00 19.57 C +HETATM20861 C MSE K 127 26.681 102.940 91.110 1.00 18.05 C +HETATM20862 O MSE K 127 25.729 102.787 91.907 1.00 17.02 O +HETATM20863 CB MSE K 127 28.623 104.420 91.598 1.00 21.05 C +HETATM20864 CG MSE K 127 29.850 104.677 92.382 1.00 22.51 C +HETATM20865 SE MSE K 127 30.320 106.549 92.216 0.75 16.07 SE +HETATM20866 CE MSE K 127 32.324 106.278 92.232 1.00 15.34 C +ATOM 20867 N ILE K 128 26.560 103.086 89.792 1.00 18.33 N +ATOM 20868 CA ILE K 128 25.292 103.066 89.083 1.00 18.38 C +ATOM 20869 C ILE K 128 24.574 101.690 89.222 1.00 18.35 C +ATOM 20870 O ILE K 128 23.344 101.623 89.438 1.00 17.65 O +ATOM 20871 CB ILE K 128 25.519 103.461 87.587 1.00 18.96 C +ATOM 20872 CG1 ILE K 128 25.894 104.949 87.491 1.00 20.82 C +ATOM 20873 CG2 ILE K 128 24.286 103.203 86.749 1.00 18.12 C +ATOM 20874 CD1 ILE K 128 26.294 105.424 86.112 1.00 17.20 C +ATOM 20875 N ARG K 129 25.337 100.603 89.103 1.00 18.28 N +ATOM 20876 CA ARG K 129 24.772 99.257 89.326 1.00 18.47 C +ATOM 20877 C ARG K 129 24.182 99.126 90.728 1.00 18.89 C +ATOM 20878 O ARG K 129 23.085 98.644 90.898 1.00 20.04 O +ATOM 20879 CB ARG K 129 25.822 98.160 89.089 1.00 18.28 C +ATOM 20880 CG ARG K 129 26.057 97.877 87.646 1.00 20.51 C +ATOM 20881 CD ARG K 129 26.961 96.662 87.442 1.00 22.22 C +ATOM 20882 NE ARG K 129 26.933 96.261 86.055 1.00 20.99 N +ATOM 20883 CZ ARG K 129 27.809 96.634 85.143 1.00 23.39 C +ATOM 20884 NH1 ARG K 129 28.862 97.406 85.459 1.00 26.01 N +ATOM 20885 NH2 ARG K 129 27.644 96.203 83.898 1.00 24.39 N +ATOM 20886 N ASP K 130 24.902 99.603 91.736 1.00 19.22 N +ATOM 20887 CA ASP K 130 24.415 99.491 93.095 1.00 19.22 C +ATOM 20888 C ASP K 130 23.201 100.399 93.336 1.00 19.68 C +ATOM 20889 O ASP K 130 22.270 100.008 93.995 1.00 20.43 O +ATOM 20890 CB ASP K 130 25.537 99.763 94.088 1.00 21.97 C +ATOM 20891 CG ASP K 130 26.671 98.715 94.021 1.00 25.06 C +ATOM 20892 OD1 ASP K 130 26.408 97.571 93.579 1.00 26.45 O +ATOM 20893 OD2 ASP K 130 27.821 99.040 94.415 1.00 25.12 O +ATOM 20894 N LEU K 131 23.190 101.591 92.745 1.00 19.60 N +ATOM 20895 CA LEU K 131 22.081 102.507 92.920 1.00 19.98 C +ATOM 20896 C LEU K 131 20.814 102.050 92.152 1.00 20.52 C +ATOM 20897 O LEU K 131 19.700 102.382 92.536 1.00 21.02 O +ATOM 20898 CB LEU K 131 22.505 103.911 92.523 1.00 20.23 C +ATOM 20899 CG LEU K 131 23.336 104.685 93.572 1.00 21.68 C +ATOM 20900 CD1 LEU K 131 24.139 105.780 92.897 1.00 20.11 C +ATOM 20901 CD2 LEU K 131 22.476 105.256 94.747 1.00 18.34 C +ATOM 20902 N ALA K 132 21.001 101.279 91.086 1.00 21.16 N +ATOM 20903 CA ALA K 132 19.903 100.723 90.286 1.00 21.95 C +ATOM 20904 C ALA K 132 19.042 99.836 91.143 1.00 22.24 C +ATOM 20905 O ALA K 132 17.807 99.815 91.001 1.00 23.99 O +ATOM 20906 CB ALA K 132 20.464 99.911 89.091 1.00 22.75 C +ATOM 20907 N PHE K 133 19.681 99.104 92.046 1.00 24.10 N +ATOM 20908 CA PHE K 133 18.934 98.232 92.946 1.00 25.58 C +ATOM 20909 C PHE K 133 18.270 99.002 94.107 1.00 26.07 C +ATOM 20910 O PHE K 133 17.187 98.637 94.524 1.00 27.44 O +ATOM 20911 CB PHE K 133 19.835 97.099 93.471 1.00 25.54 C +ATOM 20912 CG PHE K 133 20.310 96.155 92.402 1.00 26.82 C +ATOM 20913 CD1 PHE K 133 19.419 95.369 91.703 1.00 24.52 C +ATOM 20914 CD2 PHE K 133 21.665 96.030 92.112 1.00 26.00 C +ATOM 20915 CE1 PHE K 133 19.858 94.502 90.723 1.00 24.33 C +ATOM 20916 CE2 PHE K 133 22.109 95.123 91.124 1.00 26.42 C +ATOM 20917 CZ PHE K 133 21.212 94.371 90.443 1.00 19.26 C +ATOM 20918 N GLU K 134 18.903 100.057 94.618 1.00 26.68 N +ATOM 20919 CA GLU K 134 18.331 100.833 95.724 1.00 25.61 C +ATOM 20920 C GLU K 134 17.215 101.745 95.224 1.00 25.97 C +ATOM 20921 O GLU K 134 16.238 101.970 95.931 1.00 24.79 O +ATOM 20922 CB GLU K 134 19.381 101.728 96.430 1.00 27.53 C +ATOM 20923 CG GLU K 134 20.673 101.063 96.922 1.00 43.01 C +ATOM 20924 CD GLU K 134 20.452 100.055 98.061 1.00 56.89 C +ATOM 20925 OE1 GLU K 134 19.548 100.281 98.900 1.00 68.74 O +ATOM 20926 OE2 GLU K 134 21.188 99.039 98.120 1.00 67.68 O +ATOM 20927 N TYR K 135 17.388 102.313 94.023 1.00 23.52 N +ATOM 20928 CA TYR K 135 16.380 103.211 93.426 1.00 22.21 C +ATOM 20929 C TYR K 135 16.034 102.710 92.023 1.00 23.03 C +ATOM 20930 O TYR K 135 16.556 103.223 91.032 1.00 21.24 O +ATOM 20931 CB TYR K 135 16.919 104.671 93.369 1.00 21.33 C +ATOM 20932 CG TYR K 135 17.364 105.248 94.703 1.00 20.94 C +ATOM 20933 CD1 TYR K 135 16.486 105.942 95.512 1.00 22.00 C +ATOM 20934 CD2 TYR K 135 18.681 105.117 95.135 1.00 23.55 C +ATOM 20935 CE1 TYR K 135 16.903 106.469 96.738 1.00 27.08 C +ATOM 20936 CE2 TYR K 135 19.095 105.615 96.346 1.00 18.93 C +ATOM 20937 CZ TYR K 135 18.206 106.295 97.144 1.00 24.83 C +ATOM 20938 OH TYR K 135 18.616 106.779 98.360 1.00 22.81 O +ATOM 20939 N PRO K 136 15.196 101.662 91.922 1.00 25.00 N +ATOM 20940 CA PRO K 136 14.888 101.053 90.589 1.00 25.81 C +ATOM 20941 C PRO K 136 14.107 101.945 89.618 1.00 25.90 C +ATOM 20942 O PRO K 136 14.097 101.677 88.418 1.00 27.13 O +ATOM 20943 CB PRO K 136 14.093 99.797 90.937 1.00 25.04 C +ATOM 20944 CG PRO K 136 13.625 99.994 92.322 1.00 27.16 C +ATOM 20945 CD PRO K 136 14.547 100.941 93.022 1.00 25.34 C +ATOM 20946 N ASP K 137 13.515 103.019 90.131 1.00 25.64 N +ATOM 20947 CA ASP K 137 12.797 103.981 89.313 1.00 25.69 C +ATOM 20948 C ASP K 137 13.636 105.188 88.912 1.00 24.34 C +ATOM 20949 O ASP K 137 13.124 106.072 88.268 1.00 23.88 O +ATOM 20950 CB ASP K 137 11.529 104.444 90.039 1.00 26.45 C +ATOM 20951 CG ASP K 137 11.811 105.082 91.402 1.00 31.36 C +ATOM 20952 OD1 ASP K 137 12.910 104.893 91.988 1.00 32.25 O +ATOM 20953 OD2 ASP K 137 10.905 105.761 91.911 1.00 42.33 O +ATOM 20954 N PHE K 138 14.930 105.197 89.242 1.00 22.96 N +ATOM 20955 CA PHE K 138 15.807 106.331 89.005 1.00 21.21 C +ATOM 20956 C PHE K 138 16.862 105.930 87.963 1.00 21.40 C +ATOM 20957 O PHE K 138 17.700 105.089 88.247 1.00 22.07 O +ATOM 20958 CB PHE K 138 16.518 106.720 90.320 1.00 22.06 C +ATOM 20959 CG PHE K 138 17.113 108.103 90.308 1.00 22.90 C +ATOM 20960 CD1 PHE K 138 18.382 108.325 89.828 1.00 28.99 C +ATOM 20961 CD2 PHE K 138 16.402 109.182 90.822 1.00 25.62 C +ATOM 20962 CE1 PHE K 138 18.930 109.593 89.815 1.00 29.86 C +ATOM 20963 CE2 PHE K 138 16.943 110.470 90.803 1.00 27.32 C +ATOM 20964 CZ PHE K 138 18.212 110.674 90.288 1.00 24.99 C +ATOM 20965 N LEU K 139 16.790 106.516 86.774 1.00 21.00 N +ATOM 20966 CA LEU K 139 17.698 106.276 85.697 1.00 21.63 C +ATOM 20967 C LEU K 139 18.955 107.120 85.867 1.00 21.38 C +ATOM 20968 O LEU K 139 18.888 108.353 85.963 1.00 22.06 O +ATOM 20969 CB LEU K 139 17.015 106.642 84.380 1.00 21.42 C +ATOM 20970 CG LEU K 139 17.737 106.416 83.060 1.00 23.25 C +ATOM 20971 CD1 LEU K 139 18.101 104.919 82.895 1.00 24.75 C +ATOM 20972 CD2 LEU K 139 16.810 106.890 81.936 1.00 21.37 C +ATOM 20973 N ILE K 140 20.103 106.453 85.876 1.00 20.18 N +ATOM 20974 CA ILE K 140 21.389 107.143 85.849 1.00 19.41 C +ATOM 20975 C ILE K 140 22.229 106.662 84.662 1.00 19.29 C +ATOM 20976 O ILE K 140 22.436 105.459 84.479 1.00 18.66 O +ATOM 20977 CB ILE K 140 22.189 106.955 87.155 1.00 20.02 C +ATOM 20978 CG1 ILE K 140 21.308 107.175 88.380 1.00 20.22 C +ATOM 20979 CG2 ILE K 140 23.395 107.908 87.162 1.00 18.97 C +ATOM 20980 CD1 ILE K 140 21.969 106.827 89.712 1.00 18.82 C +ATOM 20981 N ALA K 141 22.656 107.622 83.833 1.00 19.42 N +ATOM 20982 CA ALA K 141 23.587 107.390 82.746 1.00 18.26 C +ATOM 20983 C ALA K 141 24.915 108.083 83.074 1.00 18.39 C +ATOM 20984 O ALA K 141 24.951 109.056 83.863 1.00 18.89 O +ATOM 20985 CB ALA K 141 22.983 107.918 81.381 1.00 16.89 C +ATOM 20986 N ALA K 142 26.003 107.587 82.483 1.00 17.58 N +ATOM 20987 CA ALA K 142 27.338 108.221 82.616 1.00 18.42 C +ATOM 20988 C ALA K 142 28.031 108.347 81.284 1.00 18.79 C +ATOM 20989 O ALA K 142 27.987 107.429 80.465 1.00 18.98 O +ATOM 20990 CB ALA K 142 28.266 107.410 83.600 1.00 15.63 C +ATOM 20991 N ALA K 143 28.724 109.470 81.110 1.00 19.88 N +ATOM 20992 CA ALA K 143 29.516 109.758 79.918 1.00 20.71 C +ATOM 20993 C ALA K 143 30.751 110.595 80.273 1.00 20.57 C +ATOM 20994 O ALA K 143 30.702 111.454 81.157 1.00 19.78 O +ATOM 20995 CB ALA K 143 28.667 110.519 78.843 1.00 18.82 C +ATOM 20996 N ASN K 144 31.849 110.356 79.580 1.00 20.35 N +ATOM 20997 CA ASN K 144 32.926 111.364 79.505 1.00 21.44 C +ATOM 20998 C ASN K 144 32.634 112.324 78.332 1.00 21.21 C +ATOM 20999 O ASN K 144 32.450 111.865 77.201 1.00 21.04 O +ATOM 21000 CB ASN K 144 34.295 110.711 79.284 1.00 21.46 C +ATOM 21001 CG ASN K 144 34.792 109.966 80.507 1.00 27.28 C +ATOM 21002 OD1 ASN K 144 34.980 110.568 81.571 1.00 25.82 O +ATOM 21003 ND2 ASN K 144 35.005 108.644 80.369 1.00 20.28 N +ATOM 21004 N TRP K 145 32.616 113.644 78.576 1.00 20.03 N +ATOM 21005 CA TRP K 145 32.285 114.594 77.502 1.00 20.64 C +ATOM 21006 C TRP K 145 33.236 114.361 76.327 1.00 20.56 C +ATOM 21007 O TRP K 145 32.826 114.472 75.171 1.00 21.12 O +ATOM 21008 CB TRP K 145 32.261 116.061 77.967 1.00 19.05 C +ATOM 21009 CG TRP K 145 33.629 116.572 78.244 1.00 19.01 C +ATOM 21010 CD1 TRP K 145 34.251 116.585 79.430 1.00 17.57 C +ATOM 21011 CD2 TRP K 145 34.564 117.118 77.286 1.00 22.73 C +ATOM 21012 NE1 TRP K 145 35.518 117.114 79.300 1.00 22.61 N +ATOM 21013 CE2 TRP K 145 35.736 117.445 77.990 1.00 19.51 C +ATOM 21014 CE3 TRP K 145 34.506 117.385 75.907 1.00 20.62 C +ATOM 21015 CZ2 TRP K 145 36.862 117.989 77.361 1.00 23.36 C +ATOM 21016 CZ3 TRP K 145 35.619 117.922 75.283 1.00 21.41 C +ATOM 21017 CH2 TRP K 145 36.786 118.219 76.006 1.00 22.43 C +ATOM 21018 N PHE K 146 34.489 113.999 76.609 1.00 21.62 N +ATOM 21019 CA PHE K 146 35.518 113.874 75.565 1.00 21.13 C +ATOM 21020 C PHE K 146 35.469 112.573 74.783 1.00 21.73 C +ATOM 21021 O PHE K 146 36.285 112.364 73.912 1.00 23.41 O +ATOM 21022 CB PHE K 146 36.924 114.072 76.125 1.00 21.46 C +ATOM 21023 CG PHE K 146 37.220 113.238 77.341 1.00 24.43 C +ATOM 21024 CD1 PHE K 146 37.637 111.926 77.211 1.00 24.39 C +ATOM 21025 CD2 PHE K 146 37.108 113.792 78.624 1.00 23.71 C +ATOM 21026 CE1 PHE K 146 37.916 111.155 78.330 1.00 28.61 C +ATOM 21027 CE2 PHE K 146 37.378 113.034 79.756 1.00 26.27 C +ATOM 21028 CZ PHE K 146 37.776 111.708 79.617 1.00 28.88 C +ATOM 21029 N GLU K 147 34.513 111.707 75.098 1.00 21.98 N +ATOM 21030 CA GLU K 147 34.264 110.491 74.329 1.00 21.67 C +ATOM 21031 C GLU K 147 32.976 110.582 73.552 1.00 22.25 C +ATOM 21032 O GLU K 147 32.631 109.638 72.849 1.00 23.93 O +ATOM 21033 CB GLU K 147 34.199 109.272 75.249 1.00 21.81 C +ATOM 21034 CG GLU K 147 35.462 109.040 76.040 1.00 21.89 C +ATOM 21035 CD GLU K 147 35.395 107.855 76.960 1.00 24.46 C +ATOM 21036 OE1 GLU K 147 34.283 107.504 77.458 1.00 25.80 O +ATOM 21037 OE2 GLU K 147 36.485 107.281 77.205 1.00 32.14 O +ATOM 21038 N VAL K 148 32.231 111.674 73.704 1.00 23.04 N +ATOM 21039 CA VAL K 148 30.960 111.840 72.971 1.00 22.55 C +ATOM 21040 C VAL K 148 31.206 111.897 71.441 1.00 23.72 C +ATOM 21041 O VAL K 148 30.435 111.349 70.651 1.00 23.02 O +ATOM 21042 CB VAL K 148 30.152 113.059 73.481 1.00 23.20 C +ATOM 21043 CG1 VAL K 148 28.975 113.328 72.568 1.00 17.65 C +ATOM 21044 CG2 VAL K 148 29.647 112.788 74.954 1.00 19.10 C +ATOM 21045 N VAL K 149 32.293 112.551 71.057 1.00 23.62 N +ATOM 21046 CA VAL K 149 32.793 112.557 69.680 1.00 22.92 C +ATOM 21047 C VAL K 149 34.294 112.334 69.777 1.00 24.53 C +ATOM 21048 O VAL K 149 34.949 112.919 70.631 1.00 23.85 O +ATOM 21049 CB VAL K 149 32.496 113.900 68.960 1.00 24.96 C +ATOM 21050 CG1 VAL K 149 33.170 113.915 67.580 1.00 22.33 C +ATOM 21051 CG2 VAL K 149 30.952 114.119 68.851 1.00 18.98 C +ATOM 21052 N SER K 150 34.824 111.460 68.919 1.00 27.02 N +ATOM 21053 CA SER K 150 36.248 111.173 68.910 1.00 29.53 C +ATOM 21054 C SER K 150 36.972 112.430 68.498 1.00 29.82 C +ATOM 21055 O SER K 150 36.485 113.166 67.625 1.00 30.27 O +ATOM 21056 CB SER K 150 36.590 110.046 67.920 1.00 31.50 C +ATOM 21057 OG SER K 150 37.997 109.840 67.922 1.00 37.20 O +ATOM 21058 N PRO K 151 38.109 112.718 69.158 1.00 31.84 N +ATOM 21059 CA PRO K 151 38.901 113.889 68.800 1.00 32.95 C +ATOM 21060 C PRO K 151 39.709 113.685 67.507 1.00 34.55 C +ATOM 21061 O PRO K 151 40.231 114.664 66.970 1.00 34.57 O +ATOM 21062 CB PRO K 151 39.789 114.102 70.028 1.00 32.72 C +ATOM 21063 CG PRO K 151 39.934 112.758 70.607 1.00 34.81 C +ATOM 21064 CD PRO K 151 38.676 111.999 70.309 1.00 33.70 C +ATOM 21065 N LYS K 152 39.784 112.438 67.032 1.00 38.07 N +ATOM 21066 CA LYS K 152 40.382 112.088 65.742 1.00 42.26 C +ATOM 21067 C LYS K 152 39.913 112.992 64.582 1.00 42.06 C +ATOM 21068 O LYS K 152 38.714 113.056 64.245 1.00 43.54 O +ATOM 21069 CB LYS K 152 40.051 110.628 65.392 1.00 44.63 C +ATOM 21070 CG LYS K 152 41.034 109.577 65.936 1.00 55.47 C +ATOM 21071 CD LYS K 152 41.360 108.504 64.863 1.00 64.90 C +ATOM 21072 CE LYS K 152 42.277 109.065 63.743 1.00 66.96 C +ATOM 21073 NZ LYS K 152 42.681 108.039 62.738 1.00 67.19 N +ATOM 21074 N GLY K 153 40.865 113.694 63.975 1.00 39.80 N +ATOM 21075 CA GLY K 153 40.567 114.591 62.867 1.00 35.89 C +ATOM 21076 C GLY K 153 40.115 115.976 63.270 1.00 33.00 C +ATOM 21077 O GLY K 153 39.873 116.827 62.403 1.00 34.05 O +ATOM 21078 N TYR K 154 39.980 116.222 64.577 1.00 29.49 N +ATOM 21079 CA TYR K 154 39.738 117.587 65.089 1.00 26.49 C +ATOM 21080 C TYR K 154 41.022 118.267 65.579 1.00 25.02 C +ATOM 21081 O TYR K 154 41.057 119.499 65.726 1.00 26.69 O +ATOM 21082 CB TYR K 154 38.686 117.542 66.188 1.00 25.19 C +ATOM 21083 CG TYR K 154 37.296 117.261 65.687 1.00 23.96 C +ATOM 21084 CD1 TYR K 154 36.428 118.308 65.329 1.00 26.23 C +ATOM 21085 CD2 TYR K 154 36.816 115.959 65.601 1.00 26.50 C +ATOM 21086 CE1 TYR K 154 35.129 118.050 64.902 1.00 25.60 C +ATOM 21087 CE2 TYR K 154 35.511 115.695 65.168 1.00 22.40 C +ATOM 21088 CZ TYR K 154 34.685 116.737 64.820 1.00 23.59 C +ATOM 21089 OH TYR K 154 33.425 116.472 64.345 1.00 27.82 O +ATOM 21090 N PHE K 155 42.066 117.470 65.832 1.00 25.56 N +ATOM 21091 CA PHE K 155 43.328 117.923 66.446 1.00 26.71 C +ATOM 21092 C PHE K 155 44.538 117.257 65.798 1.00 29.32 C +ATOM 21093 O PHE K 155 44.427 116.137 65.269 1.00 31.60 O +ATOM 21094 CB PHE K 155 43.332 117.628 67.964 1.00 27.02 C +ATOM 21095 CG PHE K 155 42.198 118.273 68.674 1.00 24.47 C +ATOM 21096 CD1 PHE K 155 42.182 119.659 68.845 1.00 21.65 C +ATOM 21097 CD2 PHE K 155 41.076 117.533 69.038 1.00 22.32 C +ATOM 21098 CE1 PHE K 155 41.078 120.291 69.413 1.00 22.86 C +ATOM 21099 CE2 PHE K 155 39.980 118.146 69.618 1.00 24.41 C +ATOM 21100 CZ PHE K 155 39.977 119.525 69.820 1.00 24.53 C +ATOM 21101 N GLU K 156 45.691 117.930 65.857 1.00 31.60 N +ATOM 21102 CA GLU K 156 46.900 117.494 65.141 1.00 35.18 C +ATOM 21103 C GLU K 156 47.795 116.559 65.954 1.00 34.20 C +ATOM 21104 O GLU K 156 48.359 115.611 65.402 1.00 34.89 O +ATOM 21105 CB GLU K 156 47.748 118.705 64.698 1.00 37.30 C +ATOM 21106 CG GLU K 156 47.046 119.727 63.760 1.00 42.56 C +ATOM 21107 CD GLU K 156 47.939 120.958 63.478 1.00 43.78 C +ATOM 21108 OE1 GLU K 156 49.092 120.769 62.987 1.00 56.38 O +ATOM 21109 OE2 GLU K 156 47.487 122.108 63.753 1.00 56.46 O +ATOM 21110 N ALA K 157 47.959 116.844 67.251 1.00 35.25 N +ATOM 21111 CA ALA K 157 48.837 116.043 68.109 1.00 34.70 C +ATOM 21112 C ALA K 157 48.295 114.616 68.218 1.00 36.00 C +ATOM 21113 O ALA K 157 47.061 114.395 68.301 1.00 35.49 O +ATOM 21114 CB ALA K 157 48.998 116.680 69.483 1.00 34.44 C +ATOM 21115 N GLU K 158 49.217 113.657 68.194 1.00 37.55 N +ATOM 21116 CA GLU K 158 48.847 112.244 68.240 1.00 41.07 C +ATOM 21117 C GLU K 158 48.644 111.729 69.677 1.00 38.18 C +ATOM 21118 O GLU K 158 47.641 111.041 69.958 1.00 38.52 O +ATOM 21119 CB GLU K 158 49.855 111.380 67.467 1.00 43.41 C +ATOM 21120 CG GLU K 158 49.334 110.885 66.106 1.00 53.81 C +ATOM 21121 CD GLU K 158 48.252 109.805 66.241 1.00 65.33 C +ATOM 21122 OE1 GLU K 158 47.087 110.146 66.555 1.00 73.08 O +ATOM 21123 OE2 GLU K 158 48.564 108.610 66.024 1.00 72.18 O +ATOM 21124 N ILE K 159 49.575 112.053 70.572 1.00 35.48 N +ATOM 21125 CA ILE K 159 49.343 111.870 72.008 1.00 34.17 C +ATOM 21126 C ILE K 159 48.582 113.111 72.559 1.00 32.82 C +ATOM 21127 O ILE K 159 48.987 114.277 72.348 1.00 30.94 O +ATOM 21128 CB ILE K 159 50.663 111.612 72.798 1.00 34.95 C +ATOM 21129 CG1 ILE K 159 51.396 110.390 72.225 1.00 37.08 C +ATOM 21130 CG2 ILE K 159 50.356 111.396 74.309 1.00 34.70 C +ATOM 21131 CD1 ILE K 159 52.850 110.203 72.699 1.00 36.45 C +ATOM 21132 N ASP K 160 47.477 112.837 73.256 1.00 31.62 N +ATOM 21133 CA ASP K 160 46.566 113.863 73.771 1.00 32.53 C +ATOM 21134 C ASP K 160 45.692 113.235 74.854 1.00 31.99 C +ATOM 21135 O ASP K 160 44.507 113.048 74.643 1.00 33.12 O +ATOM 21136 CB ASP K 160 45.689 114.403 72.617 1.00 32.60 C +ATOM 21137 CG ASP K 160 44.929 115.678 72.967 1.00 35.09 C +ATOM 21138 OD1 ASP K 160 45.055 116.183 74.088 1.00 37.15 O +ATOM 21139 OD2 ASP K 160 44.164 116.172 72.098 1.00 43.18 O +ATOM 21140 N ASP K 161 46.279 112.916 76.010 1.00 31.67 N +ATOM 21141 CA ASP K 161 45.577 112.197 77.080 1.00 30.64 C +ATOM 21142 C ASP K 161 45.127 113.103 78.201 1.00 29.52 C +ATOM 21143 O ASP K 161 44.018 112.958 78.704 1.00 30.80 O +ATOM 21144 CB ASP K 161 46.456 111.090 77.652 1.00 31.63 C +ATOM 21145 CG ASP K 161 46.635 109.918 76.685 1.00 37.49 C +ATOM 21146 OD1 ASP K 161 45.745 109.719 75.811 1.00 46.51 O +ATOM 21147 OD2 ASP K 161 47.665 109.195 76.798 1.00 46.59 O +ATOM 21148 N HIS K 162 45.965 114.053 78.585 1.00 26.47 N +ATOM 21149 CA HIS K 162 45.683 114.915 79.736 1.00 23.92 C +ATOM 21150 C HIS K 162 46.321 116.275 79.497 1.00 22.30 C +ATOM 21151 O HIS K 162 47.529 116.356 79.251 1.00 21.33 O +ATOM 21152 CB HIS K 162 46.247 114.275 81.031 1.00 23.42 C +ATOM 21153 CG HIS K 162 46.088 115.125 82.256 1.00 22.61 C +ATOM 21154 ND1 HIS K 162 44.862 115.400 82.823 1.00 26.50 N +ATOM 21155 CD2 HIS K 162 47.007 115.756 83.027 1.00 25.33 C +ATOM 21156 CE1 HIS K 162 45.036 116.164 83.888 1.00 27.36 C +ATOM 21157 NE2 HIS K 162 46.326 116.391 84.036 1.00 20.50 N +ATOM 21158 N ALA K 163 45.507 117.329 79.526 1.00 21.45 N +ATOM 21159 CA ALA K 163 46.015 118.706 79.400 1.00 21.85 C +ATOM 21160 C ALA K 163 46.671 118.971 78.017 1.00 23.28 C +ATOM 21161 O ALA K 163 47.514 119.872 77.890 1.00 24.27 O +ATOM 21162 CB ALA K 163 47.011 118.951 80.489 1.00 20.66 C +ATOM 21163 N GLY K 164 46.310 118.167 77.016 1.00 23.68 N +ATOM 21164 CA GLY K 164 46.916 118.251 75.676 1.00 24.12 C +ATOM 21165 C GLY K 164 46.133 119.161 74.735 1.00 23.46 C +ATOM 21166 O GLY K 164 45.501 120.125 75.185 1.00 23.51 O +ATOM 21167 N GLU K 165 46.165 118.862 73.432 1.00 22.91 N +ATOM 21168 CA GLU K 165 45.622 119.808 72.443 1.00 23.05 C +ATOM 21169 C GLU K 165 44.106 120.003 72.579 1.00 22.35 C +ATOM 21170 O GLU K 165 43.631 121.113 72.462 1.00 23.29 O +ATOM 21171 CB GLU K 165 45.962 119.361 71.024 1.00 24.17 C +ATOM 21172 CG GLU K 165 45.956 120.454 70.001 1.00 27.46 C +ATOM 21173 CD GLU K 165 46.469 119.975 68.630 1.00 25.08 C +ATOM 21174 OE1 GLU K 165 47.597 119.433 68.550 1.00 28.80 O +ATOM 21175 OE2 GLU K 165 45.737 120.155 67.641 1.00 27.92 O +ATOM 21176 N SER K 166 43.359 118.930 72.837 1.00 22.77 N +ATOM 21177 CA SER K 166 41.892 119.011 72.864 1.00 23.08 C +ATOM 21178 C SER K 166 41.370 119.730 74.084 1.00 23.19 C +ATOM 21179 O SER K 166 40.538 120.616 73.944 1.00 25.21 O +ATOM 21180 CB SER K 166 41.247 117.639 72.747 1.00 24.51 C +ATOM 21181 OG SER K 166 41.584 116.849 73.860 1.00 31.90 O +ATOM 21182 N GLU K 167 41.850 119.375 75.281 1.00 23.88 N +ATOM 21183 CA GLU K 167 41.372 120.056 76.491 1.00 22.98 C +ATOM 21184 C GLU K 167 41.762 121.519 76.420 1.00 21.08 C +ATOM 21185 O GLU K 167 40.948 122.406 76.705 1.00 21.48 O +ATOM 21186 CB GLU K 167 41.938 119.427 77.770 1.00 24.05 C +ATOM 21187 CG GLU K 167 41.021 118.430 78.415 1.00 25.92 C +ATOM 21188 CD GLU K 167 41.515 117.947 79.765 1.00 26.93 C +ATOM 21189 OE1 GLU K 167 42.760 117.826 79.971 1.00 25.37 O +ATOM 21190 OE2 GLU K 167 40.634 117.652 80.614 1.00 24.69 O +ATOM 21191 N THR K 168 42.997 121.786 76.033 1.00 20.52 N +ATOM 21192 CA THR K 168 43.452 123.176 75.852 1.00 20.55 C +ATOM 21193 C THR K 168 42.618 124.004 74.860 1.00 20.80 C +ATOM 21194 O THR K 168 42.289 125.160 75.145 1.00 21.89 O +ATOM 21195 CB THR K 168 44.893 123.222 75.392 1.00 20.07 C +ATOM 21196 OG1 THR K 168 45.663 122.347 76.215 1.00 20.93 O +ATOM 21197 CG2 THR K 168 45.438 124.611 75.541 1.00 18.11 C +ATOM 21198 N SER K 169 42.324 123.423 73.691 1.00 20.49 N +ATOM 21199 CA SER K 169 41.530 124.120 72.686 1.00 20.73 C +ATOM 21200 C SER K 169 40.126 124.411 73.215 1.00 21.31 C +ATOM 21201 O SER K 169 39.575 125.493 72.963 1.00 21.33 O +ATOM 21202 CB SER K 169 41.388 123.287 71.414 1.00 20.70 C +ATOM 21203 OG SER K 169 42.637 122.993 70.833 1.00 21.88 O +ATOM 21204 N VAL K 170 39.528 123.448 73.931 1.00 21.43 N +ATOM 21205 CA VAL K 170 38.148 123.637 74.432 1.00 19.89 C +ATOM 21206 C VAL K 170 38.143 124.718 75.525 1.00 20.47 C +ATOM 21207 O VAL K 170 37.250 125.586 75.553 1.00 22.55 O +ATOM 21208 CB VAL K 170 37.506 122.291 74.886 1.00 18.94 C +ATOM 21209 CG1 VAL K 170 36.031 122.480 75.324 1.00 18.99 C +ATOM 21210 CG2 VAL K 170 37.591 121.275 73.754 1.00 18.73 C +HETATM21211 N MSE K 171 39.172 124.704 76.388 1.00 20.27 N +HETATM21212 CA MSE K 171 39.350 125.758 77.422 1.00 20.68 C +HETATM21213 C MSE K 171 39.578 127.151 76.794 1.00 21.19 C +HETATM21214 O MSE K 171 39.014 128.154 77.241 1.00 21.57 O +HETATM21215 CB MSE K 171 40.530 125.391 78.359 1.00 21.51 C +HETATM21216 CG MSE K 171 40.661 126.299 79.601 1.00 21.90 C +HETATM21217 SE MSE K 171 39.029 126.491 80.700 0.75 25.74 SE +HETATM21218 CE MSE K 171 38.897 124.561 81.358 1.00 21.70 C +HETATM21219 N MSE K 172 40.391 127.202 75.742 1.00 21.85 N +HETATM21220 CA MSE K 172 40.588 128.455 74.976 1.00 22.02 C +HETATM21221 C MSE K 172 39.277 128.966 74.369 1.00 22.61 C +HETATM21222 O MSE K 172 39.035 130.177 74.280 1.00 23.75 O +HETATM21223 CB MSE K 172 41.625 128.240 73.878 1.00 22.67 C +HETATM21224 CG MSE K 172 43.018 128.163 74.438 1.00 23.08 C +HETATM21225 SE MSE K 172 44.357 127.717 73.104 0.75 25.61 SE +HETATM21226 CE MSE K 172 44.944 129.603 72.491 1.00 26.24 C +ATOM 21227 N HIS K 173 38.438 128.031 73.934 1.00 22.70 N +ATOM 21228 CA HIS K 173 37.121 128.384 73.428 1.00 21.80 C +ATOM 21229 C HIS K 173 36.236 128.979 74.532 1.00 23.07 C +ATOM 21230 O HIS K 173 35.804 130.127 74.429 1.00 23.15 O +ATOM 21231 CB HIS K 173 36.446 127.180 72.752 1.00 21.07 C +ATOM 21232 CG HIS K 173 35.017 127.452 72.395 1.00 22.11 C +ATOM 21233 ND1 HIS K 173 34.646 128.500 71.583 1.00 23.26 N +ATOM 21234 CD2 HIS K 173 33.871 126.857 72.789 1.00 19.68 C +ATOM 21235 CE1 HIS K 173 33.328 128.540 71.492 1.00 26.92 C +ATOM 21236 NE2 HIS K 173 32.832 127.549 72.212 1.00 24.35 N +ATOM 21237 N TYR K 174 36.011 128.232 75.611 1.00 22.71 N +ATOM 21238 CA TYR K 174 35.099 128.679 76.664 1.00 21.56 C +ATOM 21239 C TYR K 174 35.615 129.733 77.591 1.00 20.61 C +ATOM 21240 O TYR K 174 34.830 130.577 77.989 1.00 19.62 O +ATOM 21241 CB TYR K 174 34.612 127.508 77.525 1.00 22.66 C +ATOM 21242 CG TYR K 174 33.599 126.652 76.849 1.00 21.11 C +ATOM 21243 CD1 TYR K 174 32.365 127.160 76.493 1.00 24.22 C +ATOM 21244 CD2 TYR K 174 33.868 125.318 76.570 1.00 23.89 C +ATOM 21245 CE1 TYR K 174 31.418 126.352 75.879 1.00 24.24 C +ATOM 21246 CE2 TYR K 174 32.932 124.505 75.950 1.00 17.47 C +ATOM 21247 CZ TYR K 174 31.719 125.012 75.602 1.00 24.87 C +ATOM 21248 OH TYR K 174 30.796 124.162 74.991 1.00 19.69 O +ATOM 21249 N HIS K 175 36.891 129.653 77.978 1.00 21.74 N +ATOM 21250 CA HIS K 175 37.486 130.581 78.947 1.00 22.71 C +ATOM 21251 C HIS K 175 38.919 130.979 78.570 1.00 23.32 C +ATOM 21252 O HIS K 175 39.860 130.570 79.231 1.00 23.77 O +ATOM 21253 CB HIS K 175 37.509 129.979 80.358 1.00 22.79 C +ATOM 21254 CG HIS K 175 36.152 129.749 80.917 1.00 23.93 C +ATOM 21255 ND1 HIS K 175 35.382 130.768 81.437 1.00 20.26 N +ATOM 21256 CD2 HIS K 175 35.397 128.627 80.979 1.00 23.26 C +ATOM 21257 CE1 HIS K 175 34.208 130.282 81.799 1.00 29.64 C +ATOM 21258 NE2 HIS K 175 34.189 128.987 81.526 1.00 26.94 N +ATOM 21259 N PRO K 176 39.074 131.815 77.537 1.00 25.41 N +ATOM 21260 CA PRO K 176 40.436 132.174 77.104 1.00 26.60 C +ATOM 21261 C PRO K 176 41.240 132.923 78.182 1.00 25.87 C +ATOM 21262 O PRO K 176 42.493 132.865 78.203 1.00 27.61 O +ATOM 21263 CB PRO K 176 40.180 133.048 75.854 1.00 27.04 C +ATOM 21264 CG PRO K 176 38.800 133.522 76.006 1.00 24.97 C +ATOM 21265 CD PRO K 176 38.047 132.460 76.700 1.00 25.37 C +ATOM 21266 N GLU K 177 40.519 133.587 79.075 1.00 27.22 N +ATOM 21267 CA GLU K 177 41.107 134.297 80.188 1.00 27.41 C +ATOM 21268 C GLU K 177 41.743 133.392 81.251 1.00 27.48 C +ATOM 21269 O GLU K 177 42.539 133.882 82.079 1.00 27.08 O +ATOM 21270 CB GLU K 177 40.035 135.143 80.859 1.00 30.56 C +ATOM 21271 CG GLU K 177 39.043 134.363 81.766 1.00 31.56 C +ATOM 21272 CD GLU K 177 37.833 133.781 81.049 1.00 35.15 C +ATOM 21273 OE1 GLU K 177 37.793 133.799 79.786 1.00 32.66 O +ATOM 21274 OE2 GLU K 177 36.909 133.320 81.784 1.00 35.92 O +ATOM 21275 N LEU K 178 41.390 132.097 81.254 1.00 26.62 N +ATOM 21276 CA LEU K 178 41.914 131.138 82.249 1.00 25.88 C +ATOM 21277 C LEU K 178 43.144 130.357 81.788 1.00 26.65 C +ATOM 21278 O LEU K 178 43.714 129.592 82.560 1.00 28.52 O +ATOM 21279 CB LEU K 178 40.830 130.149 82.683 1.00 25.25 C +ATOM 21280 CG LEU K 178 39.618 130.608 83.485 1.00 26.07 C +ATOM 21281 CD1 LEU K 178 38.896 129.344 83.926 1.00 23.61 C +ATOM 21282 CD2 LEU K 178 39.915 131.508 84.705 1.00 26.84 C +ATOM 21283 N VAL K 179 43.555 130.525 80.539 1.00 27.18 N +ATOM 21284 CA VAL K 179 44.679 129.762 80.004 1.00 26.76 C +ATOM 21285 C VAL K 179 45.575 130.692 79.212 1.00 28.28 C +ATOM 21286 O VAL K 179 45.085 131.509 78.431 1.00 28.63 O +ATOM 21287 CB VAL K 179 44.233 128.512 79.153 1.00 26.80 C +ATOM 21288 CG1 VAL K 179 43.148 128.841 78.132 1.00 25.98 C +ATOM 21289 CG2 VAL K 179 45.445 127.858 78.459 1.00 28.51 C +ATOM 21290 N ASN K 180 46.886 130.582 79.455 1.00 29.68 N +ATOM 21291 CA ASN K 180 47.890 131.246 78.643 1.00 31.00 C +ATOM 21292 C ASN K 180 48.802 130.185 78.056 1.00 27.68 C +ATOM 21293 O ASN K 180 49.723 129.723 78.714 1.00 26.80 O +ATOM 21294 CB ASN K 180 48.653 132.298 79.475 1.00 34.54 C +ATOM 21295 CG ASN K 180 49.893 132.859 78.757 1.00 47.62 C +ATOM 21296 OD1 ASN K 180 49.995 132.868 77.513 1.00 59.43 O +ATOM 21297 ND2 ASN K 180 50.848 133.333 79.554 1.00 59.41 N +ATOM 21298 N LEU K 181 48.551 129.849 76.786 1.00 27.08 N +ATOM 21299 CA LEU K 181 49.206 128.747 76.088 1.00 27.04 C +ATOM 21300 C LEU K 181 50.736 128.843 76.041 1.00 27.07 C +ATOM 21301 O LEU K 181 51.425 127.829 76.023 1.00 26.91 O +ATOM 21302 CB LEU K 181 48.587 128.618 74.671 1.00 29.37 C +ATOM 21303 CG LEU K 181 49.109 127.508 73.742 1.00 28.98 C +ATOM 21304 CD1 LEU K 181 48.986 126.135 74.409 1.00 29.16 C +ATOM 21305 CD2 LEU K 181 48.369 127.558 72.430 1.00 27.55 C +ATOM 21306 N ALA K 182 51.269 130.059 76.068 1.00 28.04 N +ATOM 21307 CA ALA K 182 52.717 130.272 76.115 1.00 28.94 C +ATOM 21308 C ALA K 182 53.402 129.619 77.319 1.00 30.08 C +ATOM 21309 O ALA K 182 54.601 129.284 77.241 1.00 30.57 O +ATOM 21310 CB ALA K 182 53.029 131.769 76.096 1.00 30.80 C +ATOM 21311 N GLU K 183 52.653 129.431 78.417 1.00 30.76 N +ATOM 21312 CA GLU K 183 53.177 128.809 79.642 1.00 31.54 C +ATOM 21313 C GLU K 183 53.230 127.279 79.606 1.00 28.02 C +ATOM 21314 O GLU K 183 53.876 126.672 80.450 1.00 27.55 O +ATOM 21315 CB GLU K 183 52.348 129.249 80.852 1.00 32.13 C +ATOM 21316 CG GLU K 183 52.369 130.765 81.119 1.00 35.80 C +ATOM 21317 CD GLU K 183 51.221 131.228 82.042 1.00 40.39 C +ATOM 21318 OE1 GLU K 183 50.593 130.341 82.697 1.00 46.16 O +ATOM 21319 OE2 GLU K 183 50.940 132.467 82.100 1.00 43.97 O +ATOM 21320 N ALA K 184 52.557 126.648 78.641 1.00 26.98 N +ATOM 21321 CA ALA K 184 52.505 125.170 78.565 1.00 25.63 C +ATOM 21322 C ALA K 184 53.866 124.593 78.300 1.00 26.49 C +ATOM 21323 O ALA K 184 54.644 125.150 77.533 1.00 27.45 O +ATOM 21324 CB ALA K 184 51.531 124.701 77.477 1.00 24.61 C +ATOM 21325 N GLY K 185 54.161 123.479 78.964 1.00 26.32 N +ATOM 21326 CA GLY K 185 55.284 122.638 78.592 1.00 25.03 C +ATOM 21327 C GLY K 185 54.872 121.597 77.555 1.00 25.35 C +ATOM 21328 O GLY K 185 53.691 121.496 77.196 1.00 24.94 O +ATOM 21329 N ASP K 186 55.838 120.797 77.119 1.00 26.21 N +ATOM 21330 CA ASP K 186 55.657 119.844 76.012 1.00 30.56 C +ATOM 21331 C ASP K 186 54.724 118.650 76.288 1.00 27.52 C +ATOM 21332 O ASP K 186 54.325 117.949 75.350 1.00 26.91 O +ATOM 21333 CB ASP K 186 57.033 119.285 75.579 1.00 32.94 C +ATOM 21334 CG ASP K 186 57.900 120.317 74.805 1.00 44.22 C +ATOM 21335 OD1 ASP K 186 57.402 121.407 74.375 1.00 47.25 O +ATOM 21336 OD2 ASP K 186 59.106 120.003 74.622 1.00 55.50 O +ATOM 21337 N GLY K 187 54.403 118.405 77.564 1.00 27.33 N +ATOM 21338 CA GLY K 187 53.606 117.239 77.949 1.00 26.86 C +ATOM 21339 C GLY K 187 54.242 115.899 77.562 1.00 27.16 C +ATOM 21340 O GLY K 187 53.522 114.954 77.161 1.00 26.31 O +ATOM 21341 N GLU K 188 55.566 115.796 77.666 1.00 27.96 N +ATOM 21342 CA GLU K 188 56.244 114.559 77.262 1.00 30.66 C +ATOM 21343 C GLU K 188 55.903 113.474 78.294 1.00 30.76 C +ATOM 21344 O GLU K 188 55.864 113.738 79.510 1.00 30.49 O +ATOM 21345 CB GLU K 188 57.775 114.757 77.078 1.00 32.77 C +ATOM 21346 N SER K 189 55.621 112.274 77.797 1.00 31.96 N +ATOM 21347 CA SER K 189 55.259 111.120 78.625 1.00 32.85 C +ATOM 21348 C SER K 189 56.198 109.940 78.359 1.00 33.65 C +ATOM 21349 O SER K 189 56.828 109.849 77.296 1.00 34.75 O +ATOM 21350 CB SER K 189 53.797 110.698 78.378 1.00 34.59 C +ATOM 21351 OG SER K 189 53.541 110.370 77.006 1.00 38.75 O +ATOM 21352 N LYS K 190 56.291 109.054 79.344 1.00 32.48 N +ATOM 21353 CA LYS K 190 57.125 107.868 79.276 1.00 34.67 C +ATOM 21354 C LYS K 190 56.226 106.650 79.437 1.00 32.07 C +ATOM 21355 O LYS K 190 55.337 106.640 80.291 1.00 31.11 O +ATOM 21356 CB LYS K 190 58.187 107.913 80.380 1.00 35.43 C +ATOM 21357 CG LYS K 190 59.244 106.845 80.308 1.00 42.19 C +ATOM 21358 CD LYS K 190 60.241 106.983 81.464 1.00 44.82 C +ATOM 21359 CE LYS K 190 61.157 105.754 81.592 1.00 53.44 C +ATOM 21360 NZ LYS K 190 62.608 106.161 81.657 1.00 55.32 N +ATOM 21361 N PRO K 191 56.441 105.622 78.605 1.00 31.19 N +ATOM 21362 CA PRO K 191 55.669 104.386 78.738 1.00 29.92 C +ATOM 21363 C PRO K 191 56.184 103.486 79.881 1.00 27.43 C +ATOM 21364 O PRO K 191 57.196 103.823 80.511 1.00 26.85 O +ATOM 21365 CB PRO K 191 55.891 103.715 77.365 1.00 31.40 C +ATOM 21366 CG PRO K 191 57.289 104.095 76.992 1.00 30.28 C +ATOM 21367 CD PRO K 191 57.407 105.546 77.485 1.00 31.64 C +ATOM 21368 N PHE K 192 55.498 102.359 80.114 1.00 26.36 N +ATOM 21369 CA PHE K 192 55.925 101.328 81.078 1.00 25.73 C +ATOM 21370 C PHE K 192 57.095 100.530 80.531 1.00 26.34 C +ATOM 21371 O PHE K 192 57.244 100.414 79.306 1.00 26.26 O +ATOM 21372 CB PHE K 192 54.812 100.306 81.373 1.00 25.13 C +ATOM 21373 CG PHE K 192 53.553 100.910 81.973 1.00 23.85 C +ATOM 21374 CD1 PHE K 192 53.603 101.580 83.171 1.00 23.20 C +ATOM 21375 CD2 PHE K 192 52.336 100.784 81.328 1.00 21.98 C +ATOM 21376 CE1 PHE K 192 52.467 102.128 83.733 1.00 24.28 C +ATOM 21377 CE2 PHE K 192 51.200 101.320 81.872 1.00 26.85 C +ATOM 21378 CZ PHE K 192 51.266 102.012 83.077 1.00 25.86 C +ATOM 21379 N ALA K 193 57.878 99.931 81.437 1.00 26.31 N +ATOM 21380 CA ALA K 193 58.920 98.961 81.051 1.00 27.37 C +ATOM 21381 C ALA K 193 58.366 97.572 80.800 1.00 28.04 C +ATOM 21382 O ALA K 193 59.097 96.720 80.342 1.00 29.46 O +ATOM 21383 CB ALA K 193 60.024 98.877 82.123 1.00 25.75 C +ATOM 21384 N ILE K 194 57.100 97.332 81.156 1.00 27.92 N +ATOM 21385 CA ILE K 194 56.413 96.043 80.898 1.00 25.31 C +ATOM 21386 C ILE K 194 55.625 96.265 79.630 1.00 26.40 C +ATOM 21387 O ILE K 194 54.655 97.009 79.625 1.00 26.86 O +ATOM 21388 CB ILE K 194 55.500 95.620 82.076 1.00 25.71 C +ATOM 21389 CG1 ILE K 194 56.321 95.571 83.361 1.00 25.41 C +ATOM 21390 CG2 ILE K 194 54.857 94.244 81.841 1.00 23.49 C +ATOM 21391 CD1 ILE K 194 55.524 95.489 84.650 1.00 22.96 C +ATOM 21392 N ALA K 195 56.097 95.656 78.546 1.00 25.72 N +ATOM 21393 CA ALA K 195 55.602 95.897 77.194 1.00 25.18 C +ATOM 21394 C ALA K 195 54.106 95.551 77.044 1.00 24.77 C +ATOM 21395 O ALA K 195 53.336 96.314 76.450 1.00 25.62 O +ATOM 21396 CB ALA K 195 56.447 95.069 76.195 1.00 24.44 C +ATOM 21397 N SER K 196 53.710 94.410 77.606 1.00 24.26 N +ATOM 21398 CA SER K 196 52.321 93.970 77.550 1.00 23.91 C +ATOM 21399 C SER K 196 51.377 95.006 78.148 1.00 23.71 C +ATOM 21400 O SER K 196 50.226 95.094 77.743 1.00 23.43 O +ATOM 21401 CB SER K 196 52.140 92.648 78.263 1.00 23.19 C +ATOM 21402 OG SER K 196 53.041 91.685 77.750 1.00 26.81 O +ATOM 21403 N LEU K 197 51.868 95.795 79.104 1.00 23.88 N +ATOM 21404 CA LEU K 197 51.047 96.874 79.673 1.00 24.40 C +ATOM 21405 C LEU K 197 50.904 98.030 78.679 1.00 25.18 C +ATOM 21406 O LEU K 197 49.824 98.596 78.569 1.00 26.32 O +ATOM 21407 CB LEU K 197 51.588 97.355 81.030 1.00 22.36 C +ATOM 21408 CG LEU K 197 51.573 96.330 82.175 1.00 24.11 C +ATOM 21409 CD1 LEU K 197 51.901 96.978 83.534 1.00 17.95 C +ATOM 21410 CD2 LEU K 197 50.249 95.584 82.242 1.00 17.77 C +ATOM 21411 N ASN K 198 51.962 98.350 77.931 1.00 26.74 N +ATOM 21412 CA ASN K 198 51.855 99.346 76.850 1.00 27.23 C +ATOM 21413 C ASN K 198 50.936 98.849 75.725 1.00 27.71 C +ATOM 21414 O ASN K 198 50.223 99.630 75.112 1.00 27.56 O +ATOM 21415 CB ASN K 198 53.229 99.699 76.286 1.00 28.03 C +ATOM 21416 CG ASN K 198 54.170 100.233 77.330 1.00 27.09 C +ATOM 21417 OD1 ASN K 198 53.766 100.938 78.233 1.00 27.36 O +ATOM 21418 ND2 ASN K 198 55.435 99.898 77.205 1.00 27.23 N +ATOM 21419 N GLU K 199 50.954 97.543 75.476 1.00 28.66 N +ATOM 21420 CA GLU K 199 50.105 96.902 74.477 1.00 30.91 C +ATOM 21421 C GLU K 199 48.657 96.669 74.962 1.00 30.13 C +ATOM 21422 O GLU K 199 47.816 96.195 74.207 1.00 29.48 O +ATOM 21423 CB GLU K 199 50.732 95.564 74.071 1.00 31.76 C +ATOM 21424 CG GLU K 199 52.192 95.674 73.512 1.00 35.68 C +ATOM 21425 CD GLU K 199 53.013 94.365 73.617 1.00 38.10 C +ATOM 21426 OE1 GLU K 199 52.461 93.280 73.957 1.00 44.78 O +ATOM 21427 OE2 GLU K 199 54.241 94.443 73.348 1.00 53.24 O +ATOM 21428 N LYS K 200 48.395 96.983 76.230 1.00 30.17 N +ATOM 21429 CA LYS K 200 47.056 96.959 76.824 1.00 30.26 C +ATOM 21430 C LYS K 200 46.489 95.553 76.997 1.00 27.74 C +ATOM 21431 O LYS K 200 45.269 95.344 77.004 1.00 27.96 O +ATOM 21432 CB LYS K 200 46.085 97.898 76.083 1.00 32.22 C +ATOM 21433 CG LYS K 200 46.476 99.381 76.235 1.00 35.64 C +ATOM 21434 CD LYS K 200 45.538 100.320 75.492 1.00 40.27 C +ATOM 21435 CE LYS K 200 45.840 101.798 75.830 1.00 49.04 C +ATOM 21436 NZ LYS K 200 47.301 102.097 75.902 1.00 52.82 N +ATOM 21437 N VAL K 201 47.390 94.601 77.207 1.00 25.23 N +ATOM 21438 CA VAL K 201 47.021 93.234 77.555 1.00 24.27 C +ATOM 21439 C VAL K 201 46.353 93.236 78.932 1.00 23.70 C +ATOM 21440 O VAL K 201 45.312 92.603 79.149 1.00 22.97 O +ATOM 21441 CB VAL K 201 48.268 92.343 77.468 1.00 24.25 C +ATOM 21442 CG1 VAL K 201 48.048 90.939 78.076 1.00 24.47 C +ATOM 21443 CG2 VAL K 201 48.668 92.250 75.996 1.00 24.17 C +ATOM 21444 N ALA K 202 46.936 94.013 79.838 1.00 22.84 N +ATOM 21445 CA ALA K 202 46.361 94.280 81.158 1.00 21.08 C +ATOM 21446 C ALA K 202 46.486 95.778 81.416 1.00 21.92 C +ATOM 21447 O ALA K 202 47.215 96.477 80.710 1.00 22.42 O +ATOM 21448 CB ALA K 202 47.065 93.482 82.197 1.00 17.78 C +ATOM 21449 N TRP K 203 45.748 96.262 82.413 1.00 22.71 N +ATOM 21450 CA TRP K 203 45.770 97.670 82.855 1.00 20.86 C +ATOM 21451 C TRP K 203 46.389 97.858 84.242 1.00 20.17 C +ATOM 21452 O TRP K 203 46.109 97.108 85.178 1.00 18.61 O +ATOM 21453 CB TRP K 203 44.350 98.220 82.869 1.00 21.41 C +ATOM 21454 CG TRP K 203 44.235 99.650 83.265 1.00 19.79 C +ATOM 21455 CD1 TRP K 203 44.267 100.733 82.441 1.00 23.88 C +ATOM 21456 CD2 TRP K 203 44.024 100.163 84.592 1.00 17.81 C +ATOM 21457 NE1 TRP K 203 44.096 101.893 83.173 1.00 23.41 N +ATOM 21458 CE2 TRP K 203 43.959 101.570 84.493 1.00 23.11 C +ATOM 21459 CE3 TRP K 203 43.915 99.569 85.854 1.00 20.85 C +ATOM 21460 CZ2 TRP K 203 43.781 102.392 85.608 1.00 24.61 C +ATOM 21461 CZ3 TRP K 203 43.746 100.381 86.954 1.00 22.69 C +ATOM 21462 CH2 TRP K 203 43.673 101.775 86.827 1.00 22.64 C +ATOM 21463 N VAL K 204 47.245 98.875 84.320 1.00 19.82 N +ATOM 21464 CA VAL K 204 47.870 99.392 85.521 1.00 20.45 C +ATOM 21465 C VAL K 204 47.789 100.915 85.357 1.00 21.64 C +ATOM 21466 O VAL K 204 47.883 101.418 84.241 1.00 21.57 O +ATOM 21467 CB VAL K 204 49.336 98.900 85.663 1.00 22.05 C +ATOM 21468 CG1 VAL K 204 50.117 99.664 86.782 1.00 21.12 C +ATOM 21469 CG2 VAL K 204 49.332 97.398 85.932 1.00 21.57 C +ATOM 21470 N PRO K 205 47.557 101.644 86.447 1.00 21.18 N +ATOM 21471 CA PRO K 205 47.540 103.111 86.311 1.00 22.71 C +ATOM 21472 C PRO K 205 48.940 103.696 86.012 1.00 22.90 C +ATOM 21473 O PRO K 205 49.958 103.177 86.462 1.00 23.61 O +ATOM 21474 CB PRO K 205 47.019 103.592 87.674 1.00 22.46 C +ATOM 21475 CG PRO K 205 47.459 102.487 88.634 1.00 21.96 C +ATOM 21476 CD PRO K 205 47.303 101.205 87.835 1.00 22.68 C +ATOM 21477 N ARG K 206 48.981 104.723 85.184 1.00 23.96 N +ATOM 21478 CA ARG K 206 50.218 105.424 84.865 1.00 25.16 C +ATOM 21479 C ARG K 206 50.642 106.064 86.148 1.00 22.83 C +ATOM 21480 O ARG K 206 49.765 106.561 86.869 1.00 22.05 O +ATOM 21481 CB ARG K 206 49.948 106.493 83.798 1.00 25.60 C +ATOM 21482 CG ARG K 206 51.147 107.380 83.445 1.00 30.21 C +ATOM 21483 CD ARG K 206 50.761 108.605 82.613 1.00 33.17 C +ATOM 21484 NE ARG K 206 49.954 108.303 81.413 1.00 40.22 N +ATOM 21485 CZ ARG K 206 50.429 107.979 80.201 1.00 47.79 C +ATOM 21486 NH1 ARG K 206 51.740 107.868 79.962 1.00 44.98 N +ATOM 21487 NH2 ARG K 206 49.569 107.756 79.207 1.00 47.83 N +ATOM 21488 N HIS K 207 51.951 106.016 86.456 1.00 22.66 N +ATOM 21489 CA HIS K 207 52.541 106.717 87.593 1.00 22.72 C +ATOM 21490 C HIS K 207 53.103 108.059 87.144 1.00 24.40 C +ATOM 21491 O HIS K 207 54.056 108.108 86.356 1.00 23.82 O +ATOM 21492 CB HIS K 207 53.642 105.901 88.250 1.00 23.00 C +ATOM 21493 CG HIS K 207 53.140 104.691 88.990 1.00 21.37 C +ATOM 21494 ND1 HIS K 207 53.739 104.214 90.137 1.00 26.23 N +ATOM 21495 CD2 HIS K 207 52.097 103.865 88.740 1.00 22.97 C +ATOM 21496 CE1 HIS K 207 53.103 103.126 90.542 1.00 24.44 C +ATOM 21497 NE2 HIS K 207 52.103 102.890 89.710 1.00 22.91 N +ATOM 21498 N TRP K 208 52.495 109.136 87.640 1.00 24.18 N +ATOM 21499 CA TRP K 208 52.772 110.490 87.141 1.00 24.57 C +ATOM 21500 C TRP K 208 54.198 110.958 87.415 1.00 25.66 C +ATOM 21501 O TRP K 208 54.769 111.711 86.620 1.00 25.57 O +ATOM 21502 CB TRP K 208 51.800 111.505 87.756 1.00 23.81 C +ATOM 21503 CG TRP K 208 50.901 112.154 86.759 1.00 25.31 C +ATOM 21504 CD1 TRP K 208 50.935 113.463 86.354 1.00 24.18 C +ATOM 21505 CD2 TRP K 208 49.853 111.528 86.019 1.00 25.01 C +ATOM 21506 NE1 TRP K 208 49.951 113.690 85.423 1.00 27.37 N +ATOM 21507 CE2 TRP K 208 49.284 112.518 85.182 1.00 27.43 C +ATOM 21508 CE3 TRP K 208 49.320 110.225 85.992 1.00 27.68 C +ATOM 21509 CZ2 TRP K 208 48.195 112.254 84.329 1.00 26.23 C +ATOM 21510 CZ3 TRP K 208 48.246 109.964 85.132 1.00 28.55 C +ATOM 21511 CH2 TRP K 208 47.713 110.970 84.297 1.00 26.78 C +ATOM 21512 N ASP K 209 54.738 110.530 88.558 1.00 26.02 N +ATOM 21513 CA ASP K 209 56.121 110.823 88.935 1.00 28.17 C +ATOM 21514 C ASP K 209 57.145 110.171 88.008 1.00 29.31 C +ATOM 21515 O ASP K 209 58.234 110.697 87.840 1.00 29.74 O +ATOM 21516 CB ASP K 209 56.410 110.453 90.411 1.00 28.49 C +ATOM 21517 CG ASP K 209 56.196 108.965 90.732 1.00 30.26 C +ATOM 21518 OD1 ASP K 209 55.179 108.390 90.304 1.00 32.98 O +ATOM 21519 OD2 ASP K 209 57.021 108.356 91.464 1.00 35.76 O +ATOM 21520 N LYS K 210 56.795 109.044 87.392 1.00 29.92 N +ATOM 21521 CA LYS K 210 57.703 108.353 86.463 1.00 29.96 C +ATOM 21522 C LYS K 210 57.417 108.670 85.009 1.00 29.86 C +ATOM 21523 O LYS K 210 58.304 108.587 84.175 1.00 31.63 O +ATOM 21524 CB LYS K 210 57.581 106.847 86.641 1.00 31.07 C +ATOM 21525 CG LYS K 210 57.839 106.337 88.064 1.00 36.29 C +ATOM 21526 CD LYS K 210 59.268 106.641 88.533 1.00 40.60 C +ATOM 21527 CE LYS K 210 59.583 105.931 89.850 1.00 46.04 C +ATOM 21528 NZ LYS K 210 59.025 104.543 89.896 1.00 50.63 N +ATOM 21529 N ALA K 211 56.163 109.009 84.718 1.00 29.35 N +ATOM 21530 CA ALA K 211 55.630 109.052 83.378 1.00 28.93 C +ATOM 21531 C ALA K 211 55.575 110.443 82.795 1.00 30.62 C +ATOM 21532 O ALA K 211 55.538 110.562 81.578 1.00 32.13 O +ATOM 21533 CB ALA K 211 54.223 108.468 83.366 1.00 27.96 C +ATOM 21534 N THR K 212 55.519 111.486 83.627 1.00 30.67 N +ATOM 21535 CA THR K 212 55.332 112.860 83.127 1.00 32.40 C +ATOM 21536 C THR K 212 56.377 113.808 83.756 1.00 32.42 C +ATOM 21537 O THR K 212 57.007 113.472 84.749 1.00 35.22 O +ATOM 21538 CB THR K 212 53.895 113.416 83.430 1.00 33.95 C +ATOM 21539 OG1 THR K 212 53.840 113.891 84.782 1.00 37.79 O +ATOM 21540 CG2 THR K 212 52.832 112.365 83.228 1.00 30.31 C +ATOM 21541 N VAL K 213 56.542 114.979 83.155 1.00 32.90 N +ATOM 21542 CA VAL K 213 57.574 115.966 83.508 1.00 33.26 C +ATOM 21543 C VAL K 213 56.883 117.207 84.068 1.00 31.46 C +ATOM 21544 O VAL K 213 57.190 117.652 85.178 1.00 32.25 O +ATOM 21545 CB VAL K 213 58.433 116.344 82.225 1.00 35.20 C +ATOM 21546 CG1 VAL K 213 59.641 117.194 82.579 1.00 38.14 C +ATOM 21547 CG2 VAL K 213 58.892 115.081 81.471 1.00 37.37 C +ATOM 21548 N ASP K 214 55.906 117.714 83.318 1.00 28.99 N +ATOM 21549 CA ASP K 214 55.138 118.915 83.672 1.00 29.16 C +ATOM 21550 C ASP K 214 53.697 118.613 84.107 1.00 27.59 C +ATOM 21551 O ASP K 214 52.882 119.531 84.272 1.00 25.92 O +ATOM 21552 CB ASP K 214 55.132 119.873 82.469 1.00 30.07 C +ATOM 21553 CG ASP K 214 54.655 119.193 81.179 1.00 33.08 C +ATOM 21554 OD1 ASP K 214 53.872 118.207 81.270 1.00 35.76 O +ATOM 21555 OD2 ASP K 214 55.075 119.640 80.086 1.00 35.55 O +ATOM 21556 N SER K 215 53.404 117.315 84.286 1.00 26.38 N +ATOM 21557 CA SER K 215 52.101 116.787 84.710 1.00 25.62 C +ATOM 21558 C SER K 215 51.103 116.633 83.568 1.00 25.53 C +ATOM 21559 O SER K 215 50.051 116.003 83.740 1.00 27.01 O +ATOM 21560 CB SER K 215 51.497 117.576 85.867 1.00 26.18 C +ATOM 21561 OG SER K 215 50.575 118.535 85.389 1.00 29.98 O +ATOM 21562 N GLY K 216 51.425 117.161 82.386 1.00 24.26 N +ATOM 21563 CA GLY K 216 50.584 116.912 81.209 1.00 22.73 C +ATOM 21564 C GLY K 216 50.987 115.630 80.501 1.00 22.69 C +ATOM 21565 O GLY K 216 52.115 115.159 80.659 1.00 22.34 O +ATOM 21566 N VAL K 217 50.059 115.092 79.703 1.00 23.56 N +ATOM 21567 CA VAL K 217 50.325 113.990 78.778 1.00 24.02 C +ATOM 21568 C VAL K 217 49.822 114.377 77.394 1.00 24.61 C +ATOM 21569 O VAL K 217 48.623 114.275 77.110 1.00 24.50 O +ATOM 21570 CB VAL K 217 49.631 112.688 79.166 1.00 25.02 C +ATOM 21571 CG1 VAL K 217 50.063 111.599 78.205 1.00 22.16 C +ATOM 21572 CG2 VAL K 217 49.938 112.311 80.636 1.00 25.65 C +ATOM 21573 N GLY K 218 50.745 114.818 76.536 1.00 25.37 N +ATOM 21574 CA GLY K 218 50.419 115.273 75.174 1.00 25.80 C +ATOM 21575 C GLY K 218 50.822 116.721 74.968 1.00 26.50 C +ATOM 21576 O GLY K 218 50.636 117.560 75.862 1.00 26.12 O +ATOM 21577 N ASN K 219 51.376 117.017 73.794 1.00 27.38 N +ATOM 21578 CA ASN K 219 51.798 118.384 73.463 1.00 26.52 C +ATOM 21579 C ASN K 219 50.584 119.218 73.077 1.00 24.35 C +ATOM 21580 O ASN K 219 49.911 118.891 72.112 1.00 25.04 O +ATOM 21581 CB ASN K 219 52.824 118.373 72.316 1.00 27.04 C +ATOM 21582 CG ASN K 219 53.704 119.609 72.310 1.00 30.59 C +ATOM 21583 OD1 ASN K 219 53.277 120.690 72.719 1.00 27.32 O +ATOM 21584 ND2 ASN K 219 54.966 119.442 71.888 1.00 28.19 N +ATOM 21585 N PRO K 220 50.277 120.278 73.860 1.00 23.83 N +ATOM 21586 CA PRO K 220 49.144 121.168 73.619 1.00 25.06 C +ATOM 21587 C PRO K 220 49.443 122.382 72.733 1.00 25.99 C +ATOM 21588 O PRO K 220 48.547 123.197 72.504 1.00 25.18 O +ATOM 21589 CB PRO K 220 48.845 121.682 75.024 1.00 26.43 C +ATOM 21590 CG PRO K 220 50.174 121.770 75.652 1.00 22.71 C +ATOM 21591 CD PRO K 220 50.996 120.672 75.092 1.00 24.70 C +ATOM 21592 N LYS K 221 50.673 122.485 72.219 1.00 27.83 N +ATOM 21593 CA ALYS K 221 51.132 123.741 71.640 0.50 29.40 C +ATOM 21594 CA BLYS K 221 51.173 123.724 71.583 0.50 29.01 C +ATOM 21595 C LYS K 221 50.390 124.196 70.371 1.00 27.24 C +ATOM 21596 O LYS K 221 50.394 125.401 70.052 1.00 27.72 O +ATOM 21597 CB ALYS K 221 52.663 123.706 71.486 0.50 29.94 C +ATOM 21598 CB BLYS K 221 52.662 123.594 71.193 0.50 29.54 C +ATOM 21599 CG ALYS K 221 53.326 123.773 72.891 0.50 31.91 C +ATOM 21600 CG BLYS K 221 53.638 124.478 72.021 0.50 34.11 C +ATOM 21601 CD ALYS K 221 54.869 123.777 72.932 0.50 32.16 C +ATOM 21602 CD BLYS K 221 53.349 124.506 73.554 0.50 33.41 C +ATOM 21603 CE ALYS K 221 55.332 123.797 74.386 0.50 26.66 C +ATOM 21604 CE BLYS K 221 52.867 125.873 74.054 0.50 28.74 C +ATOM 21605 NZ ALYS K 221 56.781 123.986 74.564 0.50 24.54 N +ATOM 21606 NZ BLYS K 221 54.017 126.703 74.494 0.50 31.39 N +ATOM 21607 N LYS K 222 49.732 123.267 69.678 1.00 26.95 N +ATOM 21608 CA LYS K 222 48.959 123.611 68.481 1.00 26.57 C +ATOM 21609 C LYS K 222 47.504 123.941 68.776 1.00 25.48 C +ATOM 21610 O LYS K 222 46.730 124.217 67.858 1.00 25.10 O +ATOM 21611 CB LYS K 222 49.084 122.507 67.421 1.00 29.49 C +ATOM 21612 CG LYS K 222 50.555 122.236 67.000 1.00 35.43 C +ATOM 21613 CD LYS K 222 50.636 121.796 65.520 1.00 44.54 C +ATOM 21614 CE LYS K 222 52.089 121.677 64.973 1.00 49.87 C +ATOM 21615 NZ LYS K 222 52.136 121.577 63.439 1.00 52.06 N +ATOM 21616 N ALA K 223 47.140 123.960 70.058 1.00 24.67 N +ATOM 21617 CA ALA K 223 45.784 124.313 70.475 1.00 23.13 C +ATOM 21618 C ALA K 223 45.395 125.713 70.019 1.00 23.12 C +ATOM 21619 O ALA K 223 46.220 126.624 70.020 1.00 22.77 O +ATOM 21620 CB ALA K 223 45.646 124.190 72.049 1.00 22.38 C +ATOM 21621 N THR K 224 44.116 125.873 69.663 1.00 22.56 N +ATOM 21622 CA THR K 224 43.521 127.165 69.368 1.00 22.67 C +ATOM 21623 C THR K 224 42.063 127.121 69.794 1.00 22.22 C +ATOM 21624 O THR K 224 41.449 126.030 69.814 1.00 22.49 O +ATOM 21625 CB THR K 224 43.530 127.474 67.853 1.00 25.15 C +ATOM 21626 OG1 THR K 224 42.666 126.541 67.203 1.00 25.80 O +ATOM 21627 CG2 THR K 224 44.950 127.377 67.250 1.00 22.45 C +ATOM 21628 N ALA K 225 41.497 128.284 70.111 1.00 21.89 N +ATOM 21629 CA ALA K 225 40.051 128.401 70.419 1.00 21.76 C +ATOM 21630 C ALA K 225 39.138 127.938 69.264 1.00 24.39 C +ATOM 21631 O ALA K 225 38.018 127.413 69.496 1.00 24.36 O +ATOM 21632 CB ALA K 225 39.704 129.854 70.820 1.00 21.40 C +ATOM 21633 N GLU K 226 39.605 128.136 68.021 1.00 26.29 N +ATOM 21634 CA AGLU K 226 38.840 127.781 66.843 0.50 26.52 C +ATOM 21635 CA BGLU K 226 38.812 127.751 66.828 0.50 26.44 C +ATOM 21636 C GLU K 226 38.686 126.239 66.773 1.00 24.30 C +ATOM 21637 O GLU K 226 37.593 125.714 66.506 1.00 23.85 O +ATOM 21638 CB AGLU K 226 39.545 128.369 65.596 0.50 26.95 C +ATOM 21639 CB BGLU K 226 39.397 128.263 65.476 0.50 25.86 C +ATOM 21640 CG AGLU K 226 39.560 129.942 65.494 0.50 32.17 C +ATOM 21641 CG BGLU K 226 38.927 127.397 64.256 0.50 27.82 C +ATOM 21642 CD AGLU K 226 40.329 130.699 66.624 0.50 34.81 C +ATOM 21643 CD BGLU K 226 39.199 127.970 62.865 0.50 29.72 C +ATOM 21644 OE1AGLU K 226 41.417 130.257 67.073 0.50 18.65 O +ATOM 21645 OE1BGLU K 226 39.754 129.074 62.705 0.50 27.09 O +ATOM 21646 OE2AGLU K 226 39.826 131.760 67.064 0.50 33.01 O +ATOM 21647 OE2BGLU K 226 38.828 127.275 61.903 0.50 41.99 O +ATOM 21648 N LYS K 227 39.796 125.531 66.998 1.00 23.66 N +ATOM 21649 CA LYS K 227 39.793 124.049 67.035 1.00 23.83 C +ATOM 21650 C LYS K 227 38.884 123.519 68.164 1.00 23.60 C +ATOM 21651 O LYS K 227 38.246 122.480 68.012 1.00 24.19 O +ATOM 21652 CB LYS K 227 41.218 123.497 67.247 1.00 25.58 C +ATOM 21653 CG LYS K 227 42.213 123.608 66.053 1.00 25.91 C +ATOM 21654 CD LYS K 227 43.615 123.259 66.498 1.00 26.32 C +ATOM 21655 CE LYS K 227 44.518 122.865 65.367 1.00 28.96 C +ATOM 21656 NZ LYS K 227 45.837 122.425 65.884 1.00 28.81 N +ATOM 21657 N GLY K 228 38.839 124.232 69.296 1.00 23.67 N +ATOM 21658 CA GLY K 228 37.990 123.874 70.416 1.00 23.01 C +ATOM 21659 C GLY K 228 36.520 124.061 70.119 1.00 24.01 C +ATOM 21660 O GLY K 228 35.698 123.184 70.448 1.00 23.94 O +ATOM 21661 N GLU K 229 36.181 125.193 69.499 1.00 24.95 N +ATOM 21662 CA GLU K 229 34.781 125.472 69.132 1.00 26.98 C +ATOM 21663 C GLU K 229 34.194 124.442 68.150 1.00 25.49 C +ATOM 21664 O GLU K 229 33.021 124.061 68.236 1.00 25.38 O +ATOM 21665 CB GLU K 229 34.671 126.844 68.488 1.00 27.24 C +ATOM 21666 CG GLU K 229 33.211 127.194 68.083 1.00 32.47 C +ATOM 21667 CD GLU K 229 33.114 128.515 67.350 1.00 37.57 C +ATOM 21668 OE1 GLU K 229 34.085 128.881 66.609 1.00 48.21 O +ATOM 21669 OE2 GLU K 229 32.058 129.168 67.508 1.00 50.41 O +ATOM 21670 N ARG K 230 35.023 124.052 67.193 1.00 25.38 N +ATOM 21671 CA ARG K 230 34.654 123.132 66.149 1.00 28.09 C +ATOM 21672 C ARG K 230 34.364 121.740 66.715 1.00 25.09 C +ATOM 21673 O ARG K 230 33.447 121.058 66.240 1.00 25.97 O +ATOM 21674 CB ARG K 230 35.783 123.070 65.132 1.00 31.53 C +ATOM 21675 CG ARG K 230 35.327 122.857 63.705 1.00 43.69 C +ATOM 21676 CD ARG K 230 36.457 123.216 62.726 1.00 55.04 C +ATOM 21677 NE ARG K 230 37.581 122.268 62.800 1.00 60.95 N +ATOM 21678 CZ ARG K 230 37.567 121.023 62.310 1.00 62.67 C +ATOM 21679 NH1 ARG K 230 38.655 120.255 62.421 1.00 56.30 N +ATOM 21680 NH2 ARG K 230 36.471 120.531 61.708 1.00 63.53 N +ATOM 21681 N TYR K 231 35.145 121.333 67.721 1.00 23.47 N +ATOM 21682 CA TYR K 231 35.024 120.026 68.380 1.00 22.78 C +ATOM 21683 C TYR K 231 33.793 119.938 69.261 1.00 22.25 C +ATOM 21684 O TYR K 231 33.084 118.930 69.248 1.00 25.25 O +ATOM 21685 CB TYR K 231 36.284 119.746 69.207 1.00 24.16 C +ATOM 21686 CG TYR K 231 36.323 118.389 69.891 1.00 24.79 C +ATOM 21687 CD1 TYR K 231 35.983 117.228 69.213 1.00 22.64 C +ATOM 21688 CD2 TYR K 231 36.739 118.271 71.221 1.00 25.06 C +ATOM 21689 CE1 TYR K 231 35.994 115.955 69.864 1.00 24.75 C +ATOM 21690 CE2 TYR K 231 36.783 117.018 71.877 1.00 22.12 C +ATOM 21691 CZ TYR K 231 36.390 115.868 71.189 1.00 23.48 C +ATOM 21692 OH TYR K 231 36.404 114.663 71.841 1.00 25.97 O +ATOM 21693 N VAL K 232 33.505 120.991 70.004 1.00 22.67 N +ATOM 21694 CA VAL K 232 32.385 120.962 70.947 1.00 22.41 C +ATOM 21695 C VAL K 232 31.051 121.050 70.272 1.00 23.48 C +ATOM 21696 O VAL K 232 30.072 120.622 70.852 1.00 23.66 O +ATOM 21697 CB VAL K 232 32.459 122.059 72.071 1.00 24.78 C +ATOM 21698 CG1 VAL K 232 33.652 121.803 72.999 1.00 25.71 C +ATOM 21699 CG2 VAL K 232 32.539 123.456 71.514 1.00 22.58 C +ATOM 21700 N LYS K 233 30.978 121.595 69.059 1.00 23.80 N +ATOM 21701 CA LYS K 233 29.683 121.720 68.397 1.00 25.07 C +ATOM 21702 C LYS K 233 28.955 120.382 68.248 1.00 22.95 C +ATOM 21703 O LYS K 233 27.771 120.285 68.643 1.00 23.92 O +ATOM 21704 CB LYS K 233 29.818 122.414 67.034 1.00 27.51 C +ATOM 21705 CG LYS K 233 29.755 123.955 67.153 1.00 34.42 C +ATOM 21706 CD LYS K 233 29.796 124.667 65.772 1.00 39.11 C +ATOM 21707 CE LYS K 233 29.344 126.148 65.857 1.00 45.12 C +ATOM 21708 NZ LYS K 233 29.868 126.865 67.086 1.00 55.23 N +ATOM 21709 N PRO K 234 29.618 119.353 67.647 1.00 21.56 N +ATOM 21710 CA PRO K 234 28.942 118.048 67.596 1.00 22.19 C +ATOM 21711 C PRO K 234 28.717 117.365 68.976 1.00 21.06 C +ATOM 21712 O PRO K 234 27.735 116.631 69.145 1.00 20.82 O +ATOM 21713 CB PRO K 234 29.827 117.225 66.657 1.00 22.17 C +ATOM 21714 CG PRO K 234 31.175 117.917 66.642 1.00 21.35 C +ATOM 21715 CD PRO K 234 30.917 119.345 66.940 1.00 23.52 C +ATOM 21716 N ILE K 235 29.611 117.606 69.943 1.00 21.78 N +ATOM 21717 CA ILE K 235 29.449 117.082 71.306 1.00 20.62 C +ATOM 21718 C ILE K 235 28.163 117.674 71.904 1.00 20.59 C +ATOM 21719 O ILE K 235 27.329 116.929 72.374 1.00 22.12 O +ATOM 21720 CB ILE K 235 30.662 117.395 72.224 1.00 22.32 C +ATOM 21721 CG1 ILE K 235 31.909 116.638 71.774 1.00 18.40 C +ATOM 21722 CG2 ILE K 235 30.348 117.071 73.731 1.00 19.09 C +ATOM 21723 CD1 ILE K 235 33.215 117.167 72.401 1.00 19.86 C +ATOM 21724 N VAL K 236 27.994 118.999 71.828 1.00 20.18 N +ATOM 21725 CA VAL K 236 26.797 119.698 72.360 1.00 20.33 C +ATOM 21726 C VAL K 236 25.510 119.221 71.695 1.00 21.71 C +ATOM 21727 O VAL K 236 24.442 119.035 72.339 1.00 22.34 O +ATOM 21728 CB VAL K 236 26.937 121.261 72.183 1.00 22.85 C +ATOM 21729 CG1 VAL K 236 25.614 121.973 72.408 1.00 18.88 C +ATOM 21730 CG2 VAL K 236 28.038 121.848 73.118 1.00 21.03 C +ATOM 21731 N GLU K 237 25.604 119.025 70.384 1.00 22.91 N +ATOM 21732 CA GLU K 237 24.468 118.531 69.599 1.00 23.48 C +ATOM 21733 C GLU K 237 24.072 117.116 70.005 1.00 21.33 C +ATOM 21734 O GLU K 237 22.901 116.843 70.160 1.00 21.86 O +ATOM 21735 CB GLU K 237 24.785 118.598 68.097 1.00 24.61 C +ATOM 21736 CG GLU K 237 23.798 117.869 67.179 1.00 33.53 C +ATOM 21737 CD GLU K 237 22.387 118.432 67.204 1.00 37.67 C +ATOM 21738 OE1 GLU K 237 22.264 119.681 67.113 1.00 42.85 O +ATOM 21739 OE2 GLU K 237 21.421 117.621 67.281 1.00 38.81 O +ATOM 21740 N LYS K 238 25.035 116.215 70.146 1.00 22.28 N +ATOM 21741 CA LYS K 238 24.734 114.817 70.563 1.00 23.43 C +ATOM 21742 C LYS K 238 24.144 114.736 71.971 1.00 22.48 C +ATOM 21743 O LYS K 238 23.145 114.020 72.195 1.00 22.25 O +ATOM 21744 CB LYS K 238 25.975 113.938 70.475 1.00 25.55 C +ATOM 21745 CG LYS K 238 26.289 113.394 69.075 1.00 29.49 C +ATOM 21746 CD LYS K 238 27.558 112.577 69.118 1.00 33.15 C +ATOM 21747 CE LYS K 238 28.048 112.098 67.738 1.00 43.48 C +ATOM 21748 NZ LYS K 238 29.079 110.983 67.846 1.00 43.60 N +ATOM 21749 N LEU K 239 24.732 115.494 72.905 1.00 21.83 N +ATOM 21750 CA LEU K 239 24.244 115.522 74.274 1.00 21.01 C +ATOM 21751 C LEU K 239 22.842 116.099 74.326 1.00 20.93 C +ATOM 21752 O LEU K 239 22.002 115.580 75.032 1.00 20.65 O +ATOM 21753 CB LEU K 239 25.211 116.285 75.212 1.00 22.78 C +ATOM 21754 CG LEU K 239 26.526 115.577 75.576 1.00 19.15 C +ATOM 21755 CD1 LEU K 239 27.465 116.501 76.389 1.00 16.95 C +ATOM 21756 CD2 LEU K 239 26.273 114.258 76.348 1.00 20.09 C +ATOM 21757 N ALA K 240 22.561 117.120 73.513 1.00 21.46 N +ATOM 21758 CA ALA K 240 21.212 117.685 73.432 1.00 20.24 C +ATOM 21759 C ALA K 240 20.201 116.668 72.940 1.00 20.53 C +ATOM 21760 O ALA K 240 19.096 116.556 73.505 1.00 22.65 O +ATOM 21761 CB ALA K 240 21.199 118.951 72.570 1.00 18.64 C +ATOM 21762 N GLY K 241 20.581 115.876 71.946 1.00 21.12 N +ATOM 21763 CA GLY K 241 19.754 114.724 71.518 1.00 21.32 C +ATOM 21764 C GLY K 241 19.516 113.670 72.606 1.00 21.96 C +ATOM 21765 O GLY K 241 18.391 113.223 72.823 1.00 22.33 O +ATOM 21766 N LEU K 242 20.578 113.279 73.313 1.00 21.71 N +ATOM 21767 CA LEU K 242 20.442 112.371 74.445 1.00 21.01 C +ATOM 21768 C LEU K 242 19.377 112.906 75.411 1.00 21.78 C +ATOM 21769 O LEU K 242 18.445 112.181 75.763 1.00 21.01 O +ATOM 21770 CB LEU K 242 21.782 112.163 75.153 1.00 20.48 C +ATOM 21771 CG LEU K 242 21.732 111.334 76.448 1.00 21.23 C +ATOM 21772 CD1 LEU K 242 21.265 109.870 76.181 1.00 21.02 C +ATOM 21773 CD2 LEU K 242 23.069 111.343 77.167 1.00 20.92 C +ATOM 21774 N PHE K 243 19.500 114.175 75.806 1.00 22.32 N +ATOM 21775 CA PHE K 243 18.547 114.748 76.761 1.00 23.43 C +ATOM 21776 C PHE K 243 17.136 114.684 76.212 1.00 23.77 C +ATOM 21777 O PHE K 243 16.206 114.345 76.933 1.00 25.11 O +ATOM 21778 CB PHE K 243 18.827 116.218 77.110 1.00 24.02 C +ATOM 21779 CG PHE K 243 20.225 116.511 77.606 1.00 23.51 C +ATOM 21780 CD1 PHE K 243 21.037 115.533 78.148 1.00 27.59 C +ATOM 21781 CD2 PHE K 243 20.687 117.806 77.589 1.00 26.19 C +ATOM 21782 CE1 PHE K 243 22.302 115.846 78.614 1.00 26.44 C +ATOM 21783 CE2 PHE K 243 21.955 118.113 78.053 1.00 23.74 C +ATOM 21784 CZ PHE K 243 22.750 117.138 78.565 1.00 25.37 C +ATOM 21785 N GLU K 244 16.967 115.069 74.958 1.00 23.84 N +ATOM 21786 CA GLU K 244 15.647 115.029 74.333 1.00 24.69 C +ATOM 21787 C GLU K 244 15.078 113.613 74.378 1.00 24.38 C +ATOM 21788 O GLU K 244 13.952 113.425 74.815 1.00 26.02 O +ATOM 21789 CB GLU K 244 15.698 115.569 72.889 1.00 25.06 C +ATOM 21790 CG GLU K 244 15.891 117.089 72.848 1.00 27.96 C +ATOM 21791 CD GLU K 244 16.341 117.660 71.499 1.00 28.60 C +ATOM 21792 OE1 GLU K 244 16.944 116.946 70.679 1.00 32.90 O +ATOM 21793 OE2 GLU K 244 16.075 118.864 71.261 1.00 34.81 O +ATOM 21794 N GLU K 245 15.874 112.616 74.005 1.00 24.79 N +ATOM 21795 CA GLU K 245 15.410 111.213 73.996 1.00 25.46 C +ATOM 21796 C GLU K 245 15.135 110.680 75.391 1.00 26.26 C +ATOM 21797 O GLU K 245 14.085 110.044 75.605 1.00 27.62 O +ATOM 21798 CB GLU K 245 16.401 110.304 73.265 1.00 24.49 C +ATOM 21799 CG GLU K 245 16.630 110.689 71.825 1.00 28.29 C +ATOM 21800 CD GLU K 245 17.893 110.052 71.217 1.00 27.57 C +ATOM 21801 OE1 GLU K 245 18.725 109.533 71.984 1.00 31.86 O +ATOM 21802 OE2 GLU K 245 18.049 110.096 69.986 1.00 30.46 O +HETATM21803 N MSE K 246 16.026 110.956 76.348 1.00 26.54 N +HETATM21804 CA MSE K 246 15.755 110.671 77.777 1.00 26.52 C +HETATM21805 C MSE K 246 14.438 111.271 78.256 1.00 28.47 C +HETATM21806 O MSE K 246 13.642 110.608 78.918 1.00 29.12 O +HETATM21807 CB MSE K 246 16.880 111.202 78.640 1.00 27.88 C +HETATM21808 CG MSE K 246 18.107 110.361 78.554 1.00 27.10 C +HETATM21809 SE MSE K 246 19.545 111.024 79.561 0.75 36.17 SE +HETATM21810 CE MSE K 246 19.141 110.224 81.375 1.00 25.88 C +ATOM 21811 N ALA K 247 14.212 112.543 77.940 1.00 30.11 N +ATOM 21812 CA ALA K 247 12.952 113.203 78.271 1.00 30.72 C +ATOM 21813 C ALA K 247 11.736 112.569 77.595 1.00 30.90 C +ATOM 21814 O ALA K 247 10.627 112.615 78.129 1.00 32.19 O +ATOM 21815 CB ALA K 247 13.010 114.711 77.920 1.00 31.78 C +ATOM 21816 N GLN K 248 11.905 111.987 76.420 1.00 30.87 N +ATOM 21817 CA GLN K 248 10.744 111.593 75.611 1.00 33.38 C +ATOM 21818 C GLN K 248 10.466 110.093 75.509 1.00 33.86 C +ATOM 21819 O GLN K 248 9.436 109.685 74.964 1.00 34.70 O +ATOM 21820 CB GLN K 248 10.886 112.170 74.213 1.00 33.27 C +ATOM 21821 CG GLN K 248 10.597 113.687 74.208 1.00 40.93 C +ATOM 21822 CD GLN K 248 11.271 114.457 73.084 1.00 40.76 C +ATOM 21823 OE1 GLN K 248 11.720 113.878 72.082 1.00 47.42 O +ATOM 21824 NE2 GLN K 248 11.349 115.781 73.252 1.00 42.16 N +ATOM 21825 N HIS K 249 11.386 109.274 75.994 1.00 33.35 N +ATOM 21826 CA HIS K 249 11.241 107.839 75.898 1.00 32.88 C +ATOM 21827 C HIS K 249 11.626 107.210 77.205 1.00 32.36 C +ATOM 21828 O HIS K 249 12.530 107.680 77.883 1.00 33.37 O +ATOM 21829 CB HIS K 249 12.159 107.279 74.832 1.00 33.69 C +ATOM 21830 CG HIS K 249 11.802 107.669 73.434 1.00 36.11 C +ATOM 21831 ND1 HIS K 249 10.983 106.904 72.630 1.00 38.31 N +ATOM 21832 CD2 HIS K 249 12.194 108.722 72.682 1.00 37.31 C +ATOM 21833 CE1 HIS K 249 10.877 107.478 71.448 1.00 42.44 C +ATOM 21834 NE2 HIS K 249 11.602 108.584 71.454 1.00 39.70 N +ATOM 21835 N ASP K 250 10.937 106.134 77.548 1.00 32.36 N +ATOM 21836 CA ASP K 250 11.377 105.237 78.597 1.00 31.56 C +ATOM 21837 C ASP K 250 12.608 104.485 78.114 1.00 28.25 C +ATOM 21838 O ASP K 250 12.870 104.402 76.911 1.00 27.61 O +ATOM 21839 CB ASP K 250 10.250 104.286 78.992 1.00 33.13 C +ATOM 21840 CG ASP K 250 9.089 105.012 79.682 1.00 42.17 C +ATOM 21841 OD1 ASP K 250 9.326 105.700 80.715 1.00 46.37 O +ATOM 21842 OD2 ASP K 250 7.944 104.890 79.185 1.00 48.93 O +ATOM 21843 N LEU K 251 13.380 103.960 79.058 1.00 26.47 N +ATOM 21844 CA LEU K 251 14.623 103.270 78.736 1.00 26.10 C +ATOM 21845 C LEU K 251 14.342 102.125 77.749 1.00 25.88 C +ATOM 21846 O LEU K 251 15.120 101.898 76.817 1.00 24.00 O +ATOM 21847 CB LEU K 251 15.265 102.727 80.027 1.00 26.35 C +ATOM 21848 CG LEU K 251 16.627 102.090 79.882 1.00 23.42 C +ATOM 21849 CD1 LEU K 251 17.583 103.049 79.214 1.00 20.94 C +ATOM 21850 CD2 LEU K 251 17.123 101.609 81.255 1.00 21.87 C +ATOM 21851 N TYR K 252 13.222 101.432 77.975 1.00 27.02 N +ATOM 21852 CA TYR K 252 12.734 100.358 77.104 1.00 28.39 C +ATOM 21853 C TYR K 252 11.250 100.600 76.825 1.00 31.82 C +ATOM 21854 O TYR K 252 10.530 101.050 77.714 1.00 31.51 O +ATOM 21855 CB TYR K 252 12.857 99.017 77.807 1.00 28.12 C +ATOM 21856 CG TYR K 252 14.261 98.526 77.972 1.00 24.01 C +ATOM 21857 CD1 TYR K 252 14.872 97.801 76.969 1.00 22.38 C +ATOM 21858 CD2 TYR K 252 14.970 98.757 79.149 1.00 24.72 C +ATOM 21859 CE1 TYR K 252 16.183 97.344 77.120 1.00 25.97 C +ATOM 21860 CE2 TYR K 252 16.288 98.299 79.300 1.00 21.04 C +ATOM 21861 CZ TYR K 252 16.880 97.608 78.280 1.00 20.85 C +ATOM 21862 OH TYR K 252 18.161 97.136 78.430 1.00 22.82 O +ATOM 21863 N GLU K 253 10.802 100.286 75.606 1.00 36.79 N +ATOM 21864 CA GLU K 253 9.376 100.466 75.211 1.00 43.20 C +ATOM 21865 C GLU K 253 8.812 99.307 74.362 1.00 44.69 C +ATOM 21866 O GLU K 253 9.560 98.574 73.693 1.00 46.37 O +ATOM 21867 CB GLU K 253 9.199 101.767 74.424 1.00 42.39 C +ATOM 21868 CG GLU K 253 9.653 103.002 75.167 1.00 47.09 C +ATOM 21869 CD GLU K 253 9.546 104.269 74.330 1.00 44.80 C +ATOM 21870 OE1 GLU K 253 9.816 104.209 73.084 1.00 43.90 O +ATOM 21871 OE2 GLU K 253 9.190 105.302 74.948 1.00 38.07 O +ATOM 21872 OXT GLU K 253 7.583 99.084 74.313 1.00 49.32 O +TER 21873 GLU K 253 +HETATM21874 N MSE L 1 40.896 138.502 89.381 1.00 39.15 N +HETATM21875 CA MSE L 1 41.388 137.079 89.255 1.00 40.13 C +HETATM21876 C MSE L 1 42.800 136.948 89.809 1.00 37.50 C +HETATM21877 O MSE L 1 43.716 137.646 89.362 1.00 37.99 O +HETATM21878 CB MSE L 1 41.364 136.592 87.802 1.00 39.07 C +HETATM21879 CG MSE L 1 42.343 135.436 87.488 1.00 41.05 C +HETATM21880 SE MSE L 1 42.232 134.716 85.647 0.75 47.51 SE +HETATM21881 CE MSE L 1 40.179 134.784 85.490 1.00 43.73 C +ATOM 21882 N ASN L 2 42.986 136.033 90.753 1.00 33.76 N +ATOM 21883 CA ASN L 2 44.267 135.893 91.418 1.00 31.05 C +ATOM 21884 C ASN L 2 44.753 134.458 91.512 1.00 29.98 C +ATOM 21885 O ASN L 2 44.397 133.724 92.462 1.00 28.43 O +ATOM 21886 CB ASN L 2 44.178 136.488 92.814 1.00 31.13 C +ATOM 21887 CG ASN L 2 45.534 136.709 93.437 1.00 28.98 C +ATOM 21888 OD1 ASN L 2 46.558 136.258 92.923 1.00 32.07 O +ATOM 21889 ND2 ASN L 2 45.551 137.423 94.554 1.00 31.65 N +ATOM 21890 N LYS L 3 45.599 134.064 90.566 1.00 28.77 N +ATOM 21891 CA LYS L 3 46.041 132.673 90.481 1.00 30.05 C +ATOM 21892 C LYS L 3 46.996 132.248 91.607 1.00 28.82 C +ATOM 21893 O LYS L 3 47.233 131.032 91.835 1.00 27.93 O +ATOM 21894 CB LYS L 3 46.681 132.402 89.123 1.00 31.56 C +ATOM 21895 CG LYS L 3 45.700 132.483 87.958 1.00 32.43 C +ATOM 21896 CD LYS L 3 46.355 131.935 86.715 1.00 31.58 C +ATOM 21897 CE LYS L 3 45.527 132.110 85.448 1.00 37.44 C +ATOM 21898 NZ LYS L 3 46.339 131.690 84.250 1.00 31.83 N +ATOM 21899 N GLU L 4 47.533 133.232 92.317 1.00 27.64 N +ATOM 21900 CA GLU L 4 48.502 132.944 93.361 1.00 27.70 C +ATOM 21901 C GLU L 4 47.832 132.358 94.608 1.00 23.89 C +ATOM 21902 O GLU L 4 48.435 131.531 95.289 1.00 24.40 O +ATOM 21903 CB GLU L 4 49.293 134.209 93.713 1.00 28.77 C +ATOM 21904 CG GLU L 4 50.405 134.009 94.729 1.00 31.74 C +ATOM 21905 CD GLU L 4 51.351 135.197 94.828 1.00 32.36 C +ATOM 21906 OE1 GLU L 4 51.124 136.195 94.110 1.00 42.86 O +ATOM 21907 OE2 GLU L 4 52.320 135.131 95.634 1.00 34.81 O +ATOM 21908 N VAL L 5 46.605 132.791 94.900 1.00 21.64 N +ATOM 21909 CA VAL L 5 45.909 132.387 96.132 1.00 21.25 C +ATOM 21910 C VAL L 5 44.476 131.788 95.931 1.00 20.70 C +ATOM 21911 O VAL L 5 43.877 131.380 96.894 1.00 20.29 O +ATOM 21912 CB VAL L 5 45.835 133.556 97.177 1.00 21.81 C +ATOM 21913 CG1 VAL L 5 47.193 134.147 97.454 1.00 21.96 C +ATOM 21914 CG2 VAL L 5 44.852 134.638 96.718 1.00 21.18 C +ATOM 21915 N ASP L 6 43.999 131.666 94.687 1.00 20.00 N +ATOM 21916 CA ASP L 6 42.677 131.140 94.381 1.00 19.59 C +ATOM 21917 C ASP L 6 42.767 129.970 93.410 1.00 19.99 C +ATOM 21918 O ASP L 6 42.887 130.180 92.221 1.00 20.93 O +ATOM 21919 CB ASP L 6 41.846 132.262 93.772 1.00 21.49 C +ATOM 21920 CG ASP L 6 40.391 131.869 93.506 1.00 23.57 C +ATOM 21921 OD1 ASP L 6 39.968 130.749 93.871 1.00 27.06 O +ATOM 21922 OD2 ASP L 6 39.664 132.713 92.929 1.00 26.81 O +ATOM 21923 N LEU L 7 42.661 128.738 93.918 1.00 19.34 N +ATOM 21924 CA LEU L 7 42.871 127.525 93.123 1.00 20.07 C +ATOM 21925 C LEU L 7 41.816 127.330 92.039 1.00 21.13 C +ATOM 21926 O LEU L 7 42.025 126.607 91.081 1.00 22.18 O +ATOM 21927 CB LEU L 7 42.865 126.274 94.035 1.00 21.25 C +ATOM 21928 CG LEU L 7 43.540 125.038 93.420 1.00 20.23 C +ATOM 21929 CD1 LEU L 7 45.038 125.280 93.471 1.00 12.48 C +ATOM 21930 CD2 LEU L 7 43.127 123.723 94.095 1.00 15.64 C +ATOM 21931 N SER L 8 40.650 127.949 92.222 1.00 21.61 N +ATOM 21932 CA SER L 8 39.594 127.881 91.236 1.00 21.87 C +ATOM 21933 C SER L 8 39.931 128.537 89.887 1.00 22.75 C +ATOM 21934 O SER L 8 39.308 128.216 88.861 1.00 23.24 O +ATOM 21935 CB SER L 8 38.347 128.518 91.831 1.00 23.33 C +ATOM 21936 OG SER L 8 37.992 127.824 93.017 1.00 26.29 O +ATOM 21937 N VAL L 9 40.882 129.458 89.893 1.00 21.92 N +ATOM 21938 CA VAL L 9 41.421 130.037 88.667 1.00 22.80 C +ATOM 21939 C VAL L 9 42.904 129.707 88.400 1.00 23.98 C +ATOM 21940 O VAL L 9 43.423 130.049 87.330 1.00 27.57 O +ATOM 21941 CB VAL L 9 41.206 131.579 88.614 1.00 21.83 C +ATOM 21942 CG1 VAL L 9 39.707 131.894 88.699 1.00 17.64 C +ATOM 21943 CG2 VAL L 9 41.933 132.259 89.692 1.00 18.07 C +ATOM 21944 N SER L 10 43.574 129.022 89.329 1.00 22.75 N +ATOM 21945 CA SER L 10 45.005 128.811 89.231 1.00 21.81 C +ATOM 21946 C SER L 10 45.394 127.619 88.351 1.00 23.03 C +ATOM 21947 O SER L 10 44.575 126.764 88.040 1.00 22.51 O +ATOM 21948 CB SER L 10 45.618 128.660 90.618 1.00 23.03 C +ATOM 21949 OG SER L 10 47.031 128.770 90.536 1.00 26.62 O +ATOM 21950 N CYS L 11 46.686 127.571 88.010 1.00 23.00 N +ATOM 21951 CA CYS L 11 47.307 126.489 87.290 1.00 23.20 C +ATOM 21952 C CYS L 11 48.667 126.186 87.912 1.00 23.30 C +ATOM 21953 O CYS L 11 49.199 126.999 88.671 1.00 23.98 O +ATOM 21954 CB CYS L 11 47.505 126.896 85.834 1.00 25.32 C +ATOM 21955 SG CYS L 11 48.454 128.433 85.699 1.00 26.44 S +ATOM 21956 N LEU L 12 49.219 125.019 87.592 1.00 23.72 N +ATOM 21957 CA LEU L 12 50.424 124.524 88.261 1.00 23.95 C +ATOM 21958 C LEU L 12 51.619 125.422 88.025 1.00 25.58 C +ATOM 21959 O LEU L 12 52.462 125.575 88.919 1.00 26.14 O +ATOM 21960 CB LEU L 12 50.750 123.089 87.855 1.00 23.39 C +ATOM 21961 CG LEU L 12 52.070 122.445 88.339 1.00 24.36 C +ATOM 21962 CD1 LEU L 12 52.173 122.349 89.850 1.00 21.56 C +ATOM 21963 CD2 LEU L 12 52.232 121.052 87.712 1.00 23.94 C +ATOM 21964 N GLY L 13 51.708 126.007 86.832 1.00 26.36 N +ATOM 21965 CA GLY L 13 52.805 126.926 86.525 1.00 26.78 C +ATOM 21966 C GLY L 13 52.873 128.138 87.437 1.00 28.22 C +ATOM 21967 O GLY L 13 53.956 128.615 87.750 1.00 28.84 O +ATOM 21968 N LYS L 14 51.720 128.640 87.880 1.00 29.06 N +ATOM 21969 CA LYS L 14 51.675 129.805 88.756 1.00 30.17 C +ATOM 21970 C LYS L 14 51.967 129.409 90.202 1.00 30.87 C +ATOM 21971 O LYS L 14 52.461 130.234 90.962 1.00 35.39 O +ATOM 21972 CB LYS L 14 50.324 130.556 88.642 1.00 27.02 C +ATOM 21973 N VAL L 15 51.723 128.162 90.597 1.00 29.43 N +ATOM 21974 CA VAL L 15 51.908 127.782 92.016 1.00 28.44 C +ATOM 21975 C VAL L 15 53.180 126.995 92.376 1.00 29.31 C +ATOM 21976 O VAL L 15 53.593 127.025 93.548 1.00 27.67 O +ATOM 21977 CB VAL L 15 50.704 126.958 92.573 1.00 28.09 C +ATOM 21978 CG1 VAL L 15 49.383 127.642 92.273 1.00 26.61 C +ATOM 21979 CG2 VAL L 15 50.726 125.540 92.063 1.00 24.61 C +ATOM 21980 N LYS L 16 53.787 126.294 91.409 1.00 30.98 N +ATOM 21981 CA LYS L 16 54.826 125.268 91.700 1.00 34.84 C +ATOM 21982 C LYS L 16 56.140 125.770 92.340 1.00 35.03 C +ATOM 21983 O LYS L 16 56.844 124.999 93.009 1.00 35.08 O +ATOM 21984 CB LYS L 16 55.149 124.424 90.447 1.00 35.01 C +ATOM 21985 CG LYS L 16 55.868 125.174 89.334 1.00 38.06 C +ATOM 21986 CD LYS L 16 56.607 124.250 88.361 1.00 41.36 C +ATOM 21987 CE LYS L 16 57.636 125.077 87.515 1.00 50.33 C +ATOM 21988 NZ LYS L 16 57.682 124.700 86.055 1.00 56.07 N +ATOM 21989 N GLU L 17 56.481 127.041 92.135 1.00 36.21 N +ATOM 21990 CA GLU L 17 57.733 127.576 92.703 1.00 39.67 C +ATOM 21991 C GLU L 17 57.519 128.431 93.965 1.00 38.54 C +ATOM 21992 O GLU L 17 58.480 128.984 94.504 1.00 39.21 O +ATOM 21993 CB GLU L 17 58.502 128.386 91.655 1.00 40.70 C +ATOM 21994 CG GLU L 17 58.950 127.597 90.428 1.00 49.29 C +ATOM 21995 CD GLU L 17 59.811 126.364 90.747 1.00 55.74 C +ATOM 21996 OE1 GLU L 17 60.521 126.335 91.790 1.00 60.59 O +ATOM 21997 OE2 GLU L 17 59.765 125.419 89.925 1.00 61.77 O +ATOM 21998 N LEU L 18 56.272 128.532 94.435 1.00 35.67 N +ATOM 21999 CA LEU L 18 55.946 129.371 95.586 1.00 32.80 C +ATOM 22000 C LEU L 18 55.757 128.493 96.830 1.00 31.87 C +ATOM 22001 O LEU L 18 55.307 127.346 96.739 1.00 31.90 O +ATOM 22002 CB LEU L 18 54.684 130.193 95.330 1.00 32.11 C +ATOM 22003 CG LEU L 18 54.564 131.009 94.046 1.00 30.41 C +ATOM 22004 CD1 LEU L 18 53.381 131.914 94.144 1.00 26.00 C +ATOM 22005 CD2 LEU L 18 55.793 131.838 93.780 1.00 31.37 C +ATOM 22006 N LYS L 19 56.119 129.059 97.985 1.00 30.82 N +ATOM 22007 CA LYS L 19 55.936 128.422 99.299 1.00 29.62 C +ATOM 22008 C LYS L 19 54.559 128.822 99.845 1.00 26.74 C +ATOM 22009 O LYS L 19 54.201 129.994 99.849 1.00 24.37 O +ATOM 22010 CB LYS L 19 57.083 128.865 100.231 1.00 30.14 C +ATOM 22011 CG LYS L 19 56.951 128.488 101.691 1.00 38.60 C +ATOM 22012 CD LYS L 19 57.206 127.012 101.951 1.00 46.61 C +ATOM 22013 CE LYS L 19 57.276 126.758 103.464 1.00 54.18 C +ATOM 22014 NZ LYS L 19 56.151 127.426 104.217 1.00 54.46 N +ATOM 22015 N TYR L 20 53.760 127.856 100.272 1.00 25.14 N +ATOM 22016 CA TYR L 20 52.435 128.189 100.847 1.00 24.34 C +ATOM 22017 C TYR L 20 52.426 127.824 102.319 1.00 24.07 C +ATOM 22018 O TYR L 20 52.951 126.793 102.701 1.00 26.33 O +ATOM 22019 CB TYR L 20 51.304 127.500 100.106 1.00 22.92 C +ATOM 22020 CG TYR L 20 51.064 128.080 98.764 1.00 20.93 C +ATOM 22021 CD1 TYR L 20 51.770 127.639 97.666 1.00 20.42 C +ATOM 22022 CD2 TYR L 20 50.121 129.072 98.582 1.00 19.90 C +ATOM 22023 CE1 TYR L 20 51.566 128.203 96.417 1.00 23.91 C +ATOM 22024 CE2 TYR L 20 49.916 129.634 97.353 1.00 18.90 C +ATOM 22025 CZ TYR L 20 50.637 129.196 96.266 1.00 18.52 C +ATOM 22026 OH TYR L 20 50.428 129.753 95.028 1.00 20.85 O +ATOM 22027 N ASP L 21 51.864 128.690 103.155 1.00 25.27 N +ATOM 22028 CA ASP L 21 51.982 128.544 104.613 1.00 25.88 C +ATOM 22029 C ASP L 21 50.723 127.912 105.193 1.00 26.02 C +ATOM 22030 O ASP L 21 50.802 126.988 106.009 1.00 27.61 O +ATOM 22031 CB ASP L 21 52.244 129.903 105.248 1.00 26.38 C +ATOM 22032 CG ASP L 21 53.541 130.565 104.747 1.00 32.82 C +ATOM 22033 OD1 ASP L 21 54.624 129.982 105.003 1.00 35.74 O +ATOM 22034 OD2 ASP L 21 53.479 131.675 104.128 1.00 32.51 O +ATOM 22035 N VAL L 22 49.555 128.400 104.774 1.00 24.39 N +ATOM 22036 CA VAL L 22 48.263 127.859 105.240 1.00 22.78 C +ATOM 22037 C VAL L 22 47.338 127.521 104.063 1.00 21.73 C +ATOM 22038 O VAL L 22 47.431 128.135 103.005 1.00 19.92 O +ATOM 22039 CB VAL L 22 47.561 128.833 106.206 1.00 23.72 C +ATOM 22040 CG1 VAL L 22 46.370 128.146 106.884 1.00 21.80 C +ATOM 22041 CG2 VAL L 22 48.548 129.285 107.241 1.00 22.36 C +ATOM 22042 N ILE L 23 46.496 126.505 104.244 1.00 19.81 N +ATOM 22043 CA ILE L 23 45.491 126.143 103.277 1.00 18.24 C +ATOM 22044 C ILE L 23 44.159 126.564 103.864 1.00 18.14 C +ATOM 22045 O ILE L 23 43.917 126.356 105.059 1.00 18.23 O +ATOM 22046 CB ILE L 23 45.465 124.624 102.963 1.00 20.38 C +ATOM 22047 CG1 ILE L 23 46.870 124.110 102.577 1.00 22.17 C +ATOM 22048 CG2 ILE L 23 44.453 124.282 101.834 1.00 13.29 C +ATOM 22049 CD1 ILE L 23 47.459 124.700 101.296 1.00 21.29 C +ATOM 22050 N ILE L 24 43.320 127.180 103.031 1.00 17.63 N +ATOM 22051 CA ILE L 24 41.955 127.552 103.406 1.00 20.47 C +ATOM 22052 C ILE L 24 41.000 126.739 102.549 1.00 17.01 C +ATOM 22053 O ILE L 24 41.102 126.748 101.334 1.00 17.37 O +ATOM 22054 CB ILE L 24 41.628 129.069 103.215 1.00 19.69 C +ATOM 22055 CG1 ILE L 24 42.826 129.955 103.597 1.00 26.09 C +ATOM 22056 CG2 ILE L 24 40.315 129.459 103.972 1.00 19.94 C +ATOM 22057 CD1 ILE L 24 43.300 129.772 105.015 1.00 31.70 C +ATOM 22058 N LEU L 25 40.082 126.049 103.212 1.00 17.15 N +ATOM 22059 CA LEU L 25 39.056 125.258 102.562 1.00 17.94 C +ATOM 22060 C LEU L 25 37.686 125.896 102.818 1.00 17.78 C +ATOM 22061 O LEU L 25 37.159 125.759 103.890 1.00 19.13 O +ATOM 22062 CB LEU L 25 39.083 123.823 103.128 1.00 19.93 C +ATOM 22063 CG LEU L 25 38.102 122.799 102.552 1.00 17.03 C +ATOM 22064 CD1 LEU L 25 38.364 122.609 101.048 1.00 11.72 C +ATOM 22065 CD2 LEU L 25 38.199 121.477 103.321 1.00 17.30 C +ATOM 22066 N PRO L 26 37.123 126.619 101.838 1.00 18.52 N +ATOM 22067 CA PRO L 26 35.749 127.067 101.989 1.00 18.78 C +ATOM 22068 C PRO L 26 34.853 125.850 101.957 1.00 18.66 C +ATOM 22069 O PRO L 26 35.108 124.949 101.168 1.00 18.91 O +ATOM 22070 CB PRO L 26 35.504 127.919 100.744 1.00 18.29 C +ATOM 22071 CG PRO L 26 36.862 128.198 100.175 1.00 17.92 C +ATOM 22072 CD PRO L 26 37.688 127.034 100.544 1.00 21.15 C +ATOM 22073 N TRP L 27 33.850 125.812 102.818 1.00 18.47 N +ATOM 22074 CA TRP L 27 32.896 124.710 102.833 1.00 17.60 C +ATOM 22075 C TRP L 27 31.496 125.280 102.928 1.00 16.51 C +ATOM 22076 O TRP L 27 31.158 125.948 103.896 1.00 17.01 O +ATOM 22077 CB TRP L 27 33.182 123.748 103.983 1.00 17.72 C +ATOM 22078 CG TRP L 27 32.624 122.389 103.779 1.00 14.68 C +ATOM 22079 CD1 TRP L 27 31.344 122.057 103.400 1.00 18.11 C +ATOM 22080 CD2 TRP L 27 33.317 121.163 103.940 1.00 13.70 C +ATOM 22081 NE1 TRP L 27 31.207 120.701 103.309 1.00 14.41 N +ATOM 22082 CE2 TRP L 27 32.402 120.122 103.662 1.00 15.72 C +ATOM 22083 CE3 TRP L 27 34.632 120.829 104.304 1.00 16.07 C +ATOM 22084 CZ2 TRP L 27 32.769 118.778 103.710 1.00 13.20 C +ATOM 22085 CZ3 TRP L 27 34.981 119.497 104.351 1.00 17.25 C +ATOM 22086 CH2 TRP L 27 34.044 118.487 104.070 1.00 14.48 C +ATOM 22087 N GLY L 28 30.710 125.047 101.871 1.00 16.45 N +ATOM 22088 CA GLY L 28 29.350 125.526 101.776 1.00 16.68 C +ATOM 22089 C GLY L 28 28.306 124.448 101.776 1.00 16.78 C +ATOM 22090 O GLY L 28 28.344 123.500 102.567 1.00 16.57 O +ATOM 22091 N ALA L 29 27.345 124.660 100.881 1.00 18.01 N +ATOM 22092 CA ALA L 29 26.108 123.917 100.740 1.00 17.01 C +ATOM 22093 C ALA L 29 25.502 124.255 99.368 1.00 17.72 C +ATOM 22094 O ALA L 29 25.819 125.287 98.775 1.00 18.09 O +ATOM 22095 CB ALA L 29 25.153 124.250 101.879 1.00 15.44 C +ATOM 22096 N THR L 30 24.700 123.334 98.844 1.00 18.59 N +ATOM 22097 CA THR L 30 23.785 123.585 97.715 1.00 18.60 C +ATOM 22098 C THR L 30 22.372 123.674 98.294 1.00 20.07 C +ATOM 22099 O THR L 30 21.772 122.676 98.683 1.00 18.86 O +ATOM 22100 CB THR L 30 23.859 122.456 96.670 1.00 20.71 C +ATOM 22101 OG1 THR L 30 25.226 122.221 96.351 1.00 20.76 O +ATOM 22102 CG2 THR L 30 23.121 122.827 95.365 1.00 17.01 C +ATOM 22103 N GLU L 31 21.859 124.893 98.407 1.00 20.40 N +ATOM 22104 CA GLU L 31 20.731 125.150 99.292 1.00 20.55 C +ATOM 22105 C GLU L 31 19.964 126.358 98.781 1.00 21.14 C +ATOM 22106 O GLU L 31 20.564 127.383 98.471 1.00 21.12 O +ATOM 22107 CB GLU L 31 21.252 125.444 100.712 1.00 20.54 C +ATOM 22108 CG GLU L 31 20.155 125.572 101.815 1.00 22.55 C +ATOM 22109 CD GLU L 31 20.741 126.011 103.164 1.00 24.42 C +ATOM 22110 OE1 GLU L 31 21.755 126.709 103.124 1.00 23.80 O +ATOM 22111 OE2 GLU L 31 20.219 125.668 104.247 1.00 24.58 O +ATOM 22112 N PRO L 32 18.626 126.239 98.687 1.00 22.58 N +ATOM 22113 CA PRO L 32 17.769 127.398 98.466 1.00 22.33 C +ATOM 22114 C PRO L 32 17.982 128.438 99.552 1.00 21.39 C +ATOM 22115 O PRO L 32 18.056 128.083 100.728 1.00 20.67 O +ATOM 22116 CB PRO L 32 16.352 126.827 98.596 1.00 23.18 C +ATOM 22117 CG PRO L 32 16.471 125.419 98.299 1.00 24.26 C +ATOM 22118 CD PRO L 32 17.847 124.996 98.750 1.00 23.15 C +ATOM 22119 N HIS L 33 18.063 129.697 99.139 1.00 20.49 N +ATOM 22120 CA HIS L 33 18.250 130.852 100.001 1.00 19.68 C +ATOM 22121 C HIS L 33 17.168 131.900 99.730 1.00 20.55 C +ATOM 22122 O HIS L 33 17.403 132.813 98.958 1.00 18.47 O +ATOM 22123 CB HIS L 33 19.604 131.466 99.696 1.00 19.37 C +ATOM 22124 CG HIS L 33 20.722 130.836 100.447 1.00 18.94 C +ATOM 22125 ND1 HIS L 33 21.229 129.599 100.124 1.00 21.55 N +ATOM 22126 CD2 HIS L 33 21.444 131.283 101.500 1.00 19.97 C +ATOM 22127 CE1 HIS L 33 22.213 129.305 100.958 1.00 20.12 C +ATOM 22128 NE2 HIS L 33 22.355 130.308 101.807 1.00 22.74 N +ATOM 22129 N ASN L 34 15.991 131.747 100.343 1.00 21.01 N +ATOM 22130 CA ASN L 34 14.837 132.560 99.989 1.00 22.19 C +ATOM 22131 C ASN L 34 14.640 132.398 98.458 1.00 23.92 C +ATOM 22132 O ASN L 34 15.087 131.407 97.857 1.00 24.27 O +ATOM 22133 CB ASN L 34 15.109 134.019 100.404 1.00 22.76 C +ATOM 22134 CG ASN L 34 13.838 134.874 100.639 1.00 21.88 C +ATOM 22135 OD1 ASN L 34 13.003 135.043 99.754 1.00 21.66 O +ATOM 22136 ND2 ASN L 34 13.742 135.460 101.815 1.00 22.19 N +ATOM 22137 N LEU L 35 14.004 133.376 97.823 1.00 24.05 N +ATOM 22138 CA LEU L 35 13.743 133.283 96.415 1.00 23.47 C +ATOM 22139 C LEU L 35 14.838 133.878 95.559 1.00 22.39 C +ATOM 22140 O LEU L 35 14.891 133.561 94.381 1.00 24.77 O +ATOM 22141 CB LEU L 35 12.395 133.923 96.099 1.00 22.56 C +ATOM 22142 CG LEU L 35 11.262 133.245 96.872 1.00 26.19 C +ATOM 22143 CD1 LEU L 35 9.974 134.113 96.865 1.00 22.33 C +ATOM 22144 CD2 LEU L 35 11.037 131.806 96.344 1.00 22.82 C +ATOM 22145 N HIS L 36 15.743 134.663 96.149 1.00 22.72 N +ATOM 22146 CA HIS L 36 16.590 135.620 95.397 1.00 22.23 C +ATOM 22147 C HIS L 36 18.114 135.370 95.377 1.00 22.39 C +ATOM 22148 O HIS L 36 18.832 135.862 94.482 1.00 22.79 O +ATOM 22149 CB HIS L 36 16.339 137.030 95.939 1.00 23.13 C +ATOM 22150 CG HIS L 36 16.753 137.219 97.371 1.00 18.39 C +ATOM 22151 ND1 HIS L 36 16.291 136.420 98.388 1.00 20.40 N +ATOM 22152 CD2 HIS L 36 17.595 138.107 97.948 1.00 19.89 C +ATOM 22153 CE1 HIS L 36 16.820 136.814 99.536 1.00 21.94 C +ATOM 22154 NE2 HIS L 36 17.622 137.829 99.296 1.00 21.54 N +ATOM 22155 N LEU L 37 18.618 134.664 96.376 1.00 21.46 N +ATOM 22156 CA LEU L 37 20.040 134.422 96.466 1.00 20.26 C +ATOM 22157 C LEU L 37 20.369 133.082 95.791 1.00 20.18 C +ATOM 22158 O LEU L 37 19.540 132.174 95.772 1.00 19.91 O +ATOM 22159 CB LEU L 37 20.479 134.415 97.933 1.00 20.68 C +ATOM 22160 CG LEU L 37 20.589 135.776 98.614 1.00 21.08 C +ATOM 22161 CD1 LEU L 37 20.805 135.634 100.112 1.00 17.20 C +ATOM 22162 CD2 LEU L 37 21.709 136.551 97.980 1.00 20.69 C +ATOM 22163 N PRO L 38 21.598 132.954 95.244 1.00 21.32 N +ATOM 22164 CA PRO L 38 22.085 131.732 94.623 1.00 20.81 C +ATOM 22165 C PRO L 38 22.067 130.480 95.508 1.00 19.75 C +ATOM 22166 O PRO L 38 22.266 130.553 96.715 1.00 18.79 O +ATOM 22167 CB PRO L 38 23.510 132.083 94.266 1.00 21.79 C +ATOM 22168 CG PRO L 38 23.549 133.527 94.176 1.00 22.62 C +ATOM 22169 CD PRO L 38 22.592 134.035 95.147 1.00 21.15 C +ATOM 22170 N TYR L 39 21.838 129.340 94.878 1.00 19.33 N +ATOM 22171 CA TYR L 39 21.913 128.044 95.541 1.00 19.00 C +ATOM 22172 C TYR L 39 23.294 127.829 96.112 1.00 18.12 C +ATOM 22173 O TYR L 39 23.425 127.145 97.095 1.00 18.61 O +ATOM 22174 CB TYR L 39 21.585 126.913 94.555 1.00 17.90 C +ATOM 22175 CG TYR L 39 20.120 126.603 94.374 1.00 18.72 C +ATOM 22176 CD1 TYR L 39 19.317 127.320 93.498 1.00 19.92 C +ATOM 22177 CD2 TYR L 39 19.549 125.534 95.030 1.00 20.51 C +ATOM 22178 CE1 TYR L 39 17.950 126.974 93.305 1.00 22.84 C +ATOM 22179 CE2 TYR L 39 18.192 125.206 94.874 1.00 21.13 C +ATOM 22180 CZ TYR L 39 17.404 125.898 94.006 1.00 20.63 C +ATOM 22181 OH TYR L 39 16.064 125.526 93.902 1.00 22.65 O +ATOM 22182 N LEU L 40 24.319 128.437 95.502 1.00 18.20 N +ATOM 22183 CA LEU L 40 25.702 128.289 95.966 1.00 17.61 C +ATOM 22184 C LEU L 40 26.210 129.431 96.866 1.00 18.14 C +ATOM 22185 O LEU L 40 27.406 129.530 97.078 1.00 18.36 O +ATOM 22186 CB LEU L 40 26.668 128.095 94.771 1.00 17.74 C +ATOM 22187 CG LEU L 40 26.596 126.769 93.999 1.00 20.30 C +ATOM 22188 CD1 LEU L 40 27.621 126.788 92.863 1.00 21.11 C +ATOM 22189 CD2 LEU L 40 26.844 125.590 94.901 1.00 18.90 C +ATOM 22190 N THR L 41 25.303 130.260 97.407 1.00 19.15 N +ATOM 22191 CA THR L 41 25.653 131.341 98.341 1.00 18.46 C +ATOM 22192 C THR L 41 26.671 130.924 99.401 1.00 18.76 C +ATOM 22193 O THR L 41 27.655 131.626 99.637 1.00 18.41 O +ATOM 22194 CB THR L 41 24.379 131.880 99.071 1.00 20.56 C +ATOM 22195 OG1 THR L 41 23.520 132.509 98.133 1.00 17.08 O +ATOM 22196 CG2 THR L 41 24.711 132.895 100.176 1.00 15.56 C +ATOM 22197 N ASP L 42 26.474 129.760 100.015 1.00 19.58 N +ATOM 22198 CA ASP L 42 27.356 129.331 101.120 1.00 18.00 C +ATOM 22199 C ASP L 42 28.722 128.875 100.686 1.00 18.19 C +ATOM 22200 O ASP L 42 29.592 128.715 101.528 1.00 18.17 O +ATOM 22201 CB ASP L 42 26.695 128.222 101.932 1.00 20.11 C +ATOM 22202 CG ASP L 42 25.464 128.684 102.631 1.00 17.72 C +ATOM 22203 OD1 ASP L 42 25.160 129.891 102.568 1.00 18.70 O +ATOM 22204 OD2 ASP L 42 24.773 127.841 103.235 1.00 19.27 O +ATOM 22205 N CYS L 43 28.906 128.654 99.386 1.00 18.13 N +ATOM 22206 CA CYS L 43 30.230 128.391 98.809 1.00 20.23 C +ATOM 22207 C CYS L 43 30.941 129.700 98.428 1.00 19.41 C +ATOM 22208 O CYS L 43 32.109 129.919 98.752 1.00 19.05 O +ATOM 22209 CB CYS L 43 30.083 127.529 97.540 1.00 21.03 C +ATOM 22210 SG CYS L 43 29.591 125.789 97.891 1.00 26.06 S +ATOM 22211 N ILE L 44 30.196 130.542 97.724 1.00 18.59 N +ATOM 22212 CA ILE L 44 30.713 131.733 97.084 1.00 18.79 C +ATOM 22213 C ILE L 44 31.198 132.749 98.115 1.00 19.59 C +ATOM 22214 O ILE L 44 32.243 133.357 97.930 1.00 20.35 O +ATOM 22215 CB ILE L 44 29.626 132.423 96.264 1.00 17.65 C +ATOM 22216 CG1 ILE L 44 29.181 131.547 95.088 1.00 22.17 C +ATOM 22217 CG2 ILE L 44 30.114 133.763 95.715 1.00 17.13 C +ATOM 22218 CD1 ILE L 44 27.805 132.002 94.514 1.00 18.67 C +ATOM 22219 N LEU L 45 30.431 132.924 99.184 1.00 18.87 N +ATOM 22220 CA LEU L 45 30.765 133.909 100.210 1.00 19.33 C +ATOM 22221 C LEU L 45 32.050 133.595 100.991 1.00 18.36 C +ATOM 22222 O LEU L 45 32.945 134.448 101.035 1.00 18.38 O +ATOM 22223 CB LEU L 45 29.557 134.149 101.142 1.00 18.90 C +ATOM 22224 CG LEU L 45 28.320 134.801 100.490 1.00 20.59 C +ATOM 22225 CD1 LEU L 45 27.320 135.321 101.541 1.00 16.98 C +ATOM 22226 CD2 LEU L 45 28.725 135.913 99.517 1.00 18.83 C +ATOM 22227 N PRO L 46 32.154 132.392 101.621 1.00 18.72 N +ATOM 22228 CA PRO L 46 33.452 132.096 102.256 1.00 18.36 C +ATOM 22229 C PRO L 46 34.602 132.049 101.271 1.00 18.52 C +ATOM 22230 O PRO L 46 35.718 132.330 101.644 1.00 20.74 O +ATOM 22231 CB PRO L 46 33.249 130.724 102.890 1.00 19.29 C +ATOM 22232 CG PRO L 46 32.058 130.132 102.219 1.00 18.44 C +ATOM 22233 CD PRO L 46 31.176 131.320 101.892 1.00 18.07 C +ATOM 22234 N HIS L 47 34.335 131.726 100.019 1.00 19.60 N +ATOM 22235 CA HIS L 47 35.390 131.736 99.034 1.00 20.99 C +ATOM 22236 C HIS L 47 35.925 133.129 98.793 1.00 19.70 C +ATOM 22237 O HIS L 47 37.123 133.344 98.788 1.00 19.21 O +ATOM 22238 CB HIS L 47 34.914 131.175 97.701 1.00 22.41 C +ATOM 22239 CG HIS L 47 35.912 131.340 96.597 1.00 19.41 C +ATOM 22240 ND1 HIS L 47 35.944 132.452 95.781 1.00 27.43 N +ATOM 22241 CD2 HIS L 47 36.917 130.537 96.177 1.00 21.96 C +ATOM 22242 CE1 HIS L 47 36.921 132.325 94.903 1.00 23.24 C +ATOM 22243 NE2 HIS L 47 37.533 131.176 95.126 1.00 25.59 N +ATOM 22244 N ASP L 48 35.023 134.061 98.524 1.00 21.10 N +ATOM 22245 CA ASP L 48 35.396 135.447 98.228 1.00 21.19 C +ATOM 22246 C ASP L 48 36.040 136.128 99.425 1.00 20.55 C +ATOM 22247 O ASP L 48 37.065 136.771 99.303 1.00 22.19 O +ATOM 22248 CB ASP L 48 34.157 136.208 97.720 1.00 21.97 C +ATOM 22249 CG ASP L 48 33.779 135.815 96.275 1.00 23.05 C +ATOM 22250 OD1 ASP L 48 34.305 134.825 95.716 1.00 33.23 O +ATOM 22251 OD2 ASP L 48 32.988 136.520 95.670 1.00 30.59 O +ATOM 22252 N ILE L 49 35.489 135.935 100.604 1.00 19.87 N +ATOM 22253 CA ILE L 49 36.101 136.457 101.815 1.00 18.64 C +ATOM 22254 C ILE L 49 37.503 135.885 102.042 1.00 19.58 C +ATOM 22255 O ILE L 49 38.432 136.617 102.371 1.00 20.18 O +ATOM 22256 CB ILE L 49 35.225 136.153 103.025 1.00 18.93 C +ATOM 22257 CG1 ILE L 49 33.907 136.968 102.909 1.00 18.22 C +ATOM 22258 CG2 ILE L 49 36.004 136.453 104.343 1.00 20.88 C +ATOM 22259 CD1 ILE L 49 32.827 136.602 103.859 1.00 20.34 C +ATOM 22260 N ALA L 50 37.636 134.573 101.881 1.00 19.76 N +ATOM 22261 CA ALA L 50 38.903 133.864 102.111 1.00 19.78 C +ATOM 22262 C ALA L 50 40.001 134.327 101.147 1.00 19.14 C +ATOM 22263 O ALA L 50 41.125 134.562 101.580 1.00 20.34 O +ATOM 22264 CB ALA L 50 38.678 132.365 102.040 1.00 18.07 C +ATOM 22265 N VAL L 51 39.669 134.521 99.867 1.00 19.76 N +ATOM 22266 CA VAL L 51 40.616 135.134 98.846 1.00 20.40 C +ATOM 22267 C VAL L 51 41.044 136.570 99.206 1.00 20.98 C +ATOM 22268 O VAL L 51 42.222 136.926 99.128 1.00 21.15 O +ATOM 22269 CB VAL L 51 39.997 135.101 97.409 1.00 22.49 C +ATOM 22270 CG1 VAL L 51 40.707 135.993 96.450 1.00 17.43 C +ATOM 22271 CG2 VAL L 51 39.951 133.666 96.885 1.00 17.05 C +ATOM 22272 N GLU L 52 40.108 137.395 99.645 1.00 21.95 N +ATOM 22273 CA GLU L 52 40.444 138.746 100.099 1.00 22.94 C +ATOM 22274 C GLU L 52 41.394 138.681 101.301 1.00 21.65 C +ATOM 22275 O GLU L 52 42.386 139.412 101.368 1.00 22.71 O +ATOM 22276 CB GLU L 52 39.168 139.524 100.471 1.00 22.46 C +ATOM 22277 CG GLU L 52 38.772 140.624 99.499 1.00 33.60 C +ATOM 22278 CD GLU L 52 37.683 141.537 100.077 1.00 28.05 C +ATOM 22279 OE1 GLU L 52 36.543 141.093 100.142 1.00 31.08 O +ATOM 22280 OE2 GLU L 52 37.963 142.680 100.487 1.00 45.40 O +ATOM 22281 N ALA L 53 41.096 137.803 102.244 1.00 20.49 N +ATOM 22282 CA ALA L 53 41.899 137.675 103.433 1.00 19.07 C +ATOM 22283 C ALA L 53 43.283 137.162 103.118 1.00 20.09 C +ATOM 22284 O ALA L 53 44.243 137.603 103.731 1.00 20.40 O +ATOM 22285 CB ALA L 53 41.206 136.793 104.464 1.00 18.48 C +ATOM 22286 N ALA L 54 43.387 136.237 102.164 1.00 20.38 N +ATOM 22287 CA ALA L 54 44.698 135.733 101.729 1.00 21.04 C +ATOM 22288 C ALA L 54 45.494 136.806 101.022 1.00 20.65 C +ATOM 22289 O ALA L 54 46.688 136.924 101.246 1.00 21.58 O +ATOM 22290 CB ALA L 54 44.561 134.477 100.845 1.00 16.77 C +ATOM 22291 N GLU L 55 44.837 137.584 100.174 1.00 22.23 N +ATOM 22292 CA GLU L 55 45.484 138.714 99.505 1.00 24.20 C +ATOM 22293 C GLU L 55 46.027 139.740 100.504 1.00 23.83 C +ATOM 22294 O GLU L 55 47.133 140.279 100.341 1.00 23.91 O +ATOM 22295 CB GLU L 55 44.504 139.410 98.563 1.00 22.76 C +ATOM 22296 CG GLU L 55 44.218 138.610 97.336 1.00 25.71 C +ATOM 22297 CD GLU L 55 43.112 139.204 96.440 1.00 29.13 C +ATOM 22298 OE1 GLU L 55 42.193 139.851 96.983 1.00 34.97 O +ATOM 22299 OE2 GLU L 55 43.153 138.975 95.186 1.00 37.18 O +ATOM 22300 N LEU L 56 45.240 140.020 101.529 1.00 23.51 N +ATOM 22301 CA LEU L 56 45.677 140.922 102.573 1.00 23.60 C +ATOM 22302 C LEU L 56 46.873 140.322 103.339 1.00 24.76 C +ATOM 22303 O LEU L 56 47.855 140.994 103.524 1.00 25.70 O +ATOM 22304 CB LEU L 56 44.505 141.258 103.506 1.00 23.19 C +ATOM 22305 CG LEU L 56 44.784 142.182 104.694 1.00 27.06 C +ATOM 22306 CD1 LEU L 56 45.401 143.543 104.189 1.00 26.44 C +ATOM 22307 CD2 LEU L 56 43.486 142.385 105.527 1.00 21.83 C +ATOM 22308 N ALA L 57 46.782 139.059 103.774 1.00 24.71 N +ATOM 22309 CA ALA L 57 47.874 138.460 104.531 1.00 24.05 C +ATOM 22310 C ALA L 57 49.162 138.459 103.727 1.00 25.04 C +ATOM 22311 O ALA L 57 50.232 138.621 104.311 1.00 26.76 O +ATOM 22312 CB ALA L 57 47.538 137.047 105.010 1.00 24.83 C +ATOM 22313 N LEU L 58 49.079 138.272 102.413 1.00 24.98 N +ATOM 22314 CA LEU L 58 50.277 138.176 101.575 1.00 26.01 C +ATOM 22315 C LEU L 58 50.954 139.545 101.402 1.00 27.29 C +ATOM 22316 O LEU L 58 52.194 139.640 101.510 1.00 27.52 O +ATOM 22317 CB LEU L 58 49.953 137.569 100.192 1.00 26.08 C +ATOM 22318 CG LEU L 58 51.079 137.439 99.149 1.00 26.48 C +ATOM 22319 CD1 LEU L 58 52.286 136.595 99.603 1.00 24.73 C +ATOM 22320 CD2 LEU L 58 50.520 136.849 97.880 1.00 26.86 C +ATOM 22321 N SER L 59 50.142 140.576 101.127 1.00 27.99 N +ATOM 22322 CA SER L 59 50.641 141.938 100.916 1.00 31.29 C +ATOM 22323 C SER L 59 51.188 142.554 102.195 1.00 32.17 C +ATOM 22324 O SER L 59 52.192 143.265 102.175 1.00 34.52 O +ATOM 22325 CB SER L 59 49.545 142.837 100.342 1.00 32.00 C +ATOM 22326 OG SER L 59 48.478 143.011 101.252 1.00 40.34 O +ATOM 22327 N ARG L 60 50.526 142.265 103.305 1.00 32.02 N +ATOM 22328 CA ARG L 60 50.846 142.854 104.589 1.00 32.17 C +ATOM 22329 C ARG L 60 52.025 142.127 105.256 1.00 31.90 C +ATOM 22330 O ARG L 60 52.910 142.768 105.825 1.00 33.00 O +ATOM 22331 CB ARG L 60 49.591 142.784 105.459 1.00 31.44 C +ATOM 22332 CG ARG L 60 49.769 143.066 106.905 1.00 36.12 C +ATOM 22333 CD ARG L 60 48.451 143.444 107.556 1.00 36.04 C +ATOM 22334 NE ARG L 60 47.749 142.291 108.124 1.00 36.73 N +ATOM 22335 CZ ARG L 60 46.574 142.374 108.734 1.00 33.18 C +ATOM 22336 NH1 ARG L 60 45.953 143.541 108.825 1.00 36.12 N +ATOM 22337 NH2 ARG L 60 46.012 141.292 109.242 1.00 36.48 N +ATOM 22338 N SER L 61 52.048 140.800 105.184 1.00 30.94 N +ATOM 22339 CA SER L 61 53.011 140.002 105.955 1.00 31.70 C +ATOM 22340 C SER L 61 53.949 139.126 105.151 1.00 29.52 C +ATOM 22341 O SER L 61 54.926 138.600 105.711 1.00 29.18 O +ATOM 22342 CB SER L 61 52.271 139.106 106.950 1.00 34.17 C +ATOM 22343 OG SER L 61 51.746 139.886 108.017 1.00 41.97 O +ATOM 22344 N GLY L 62 53.647 138.924 103.869 1.00 28.33 N +ATOM 22345 CA GLY L 62 54.331 137.912 103.077 1.00 28.28 C +ATOM 22346 C GLY L 62 53.903 136.483 103.393 1.00 28.26 C +ATOM 22347 O GLY L 62 54.537 135.533 102.922 1.00 29.85 O +ATOM 22348 N VAL L 63 52.817 136.328 104.159 1.00 27.49 N +ATOM 22349 CA VAL L 63 52.271 135.015 104.472 1.00 25.96 C +ATOM 22350 C VAL L 63 51.397 134.592 103.296 1.00 25.23 C +ATOM 22351 O VAL L 63 50.431 135.274 102.987 1.00 24.40 O +ATOM 22352 CB VAL L 63 51.464 135.042 105.802 1.00 28.48 C +ATOM 22353 CG1 VAL L 63 50.779 133.686 106.082 1.00 22.00 C +ATOM 22354 CG2 VAL L 63 52.398 135.443 107.001 1.00 25.94 C +ATOM 22355 N ARG L 64 51.743 133.479 102.632 1.00 24.29 N +ATOM 22356 CA ARG L 64 51.021 133.057 101.428 1.00 23.57 C +ATOM 22357 C ARG L 64 50.133 131.843 101.705 1.00 23.25 C +ATOM 22358 O ARG L 64 50.610 130.782 102.117 1.00 22.34 O +ATOM 22359 CB ARG L 64 51.980 132.747 100.300 1.00 23.46 C +ATOM 22360 CG ARG L 64 51.275 132.657 98.950 1.00 25.67 C +ATOM 22361 CD ARG L 64 52.165 132.157 97.864 1.00 25.82 C +ATOM 22362 NE ARG L 64 53.046 133.204 97.389 1.00 24.02 N +ATOM 22363 CZ ARG L 64 54.319 133.341 97.747 1.00 29.53 C +ATOM 22364 NH1 ARG L 64 54.900 132.503 98.605 1.00 27.75 N +ATOM 22365 NH2 ARG L 64 55.016 134.345 97.243 1.00 29.89 N +ATOM 22366 N CYS L 65 48.845 132.021 101.439 1.00 22.63 N +ATOM 22367 CA CYS L 65 47.806 131.019 101.716 1.00 23.25 C +ATOM 22368 C CYS L 65 47.123 130.629 100.421 1.00 22.84 C +ATOM 22369 O CYS L 65 46.949 131.491 99.549 1.00 23.68 O +ATOM 22370 CB CYS L 65 46.762 131.607 102.676 1.00 23.99 C +ATOM 22371 SG CYS L 65 47.500 132.101 104.236 1.00 27.60 S +HETATM22372 N MSE L 66 46.779 129.340 100.281 1.00 20.90 N +HETATM22373 CA MSE L 66 45.987 128.854 99.155 1.00 18.82 C +HETATM22374 C MSE L 66 44.527 128.635 99.544 1.00 18.76 C +HETATM22375 O MSE L 66 44.224 127.951 100.532 1.00 18.68 O +HETATM22376 CB MSE L 66 46.590 127.578 98.573 1.00 20.17 C +HETATM22377 CG MSE L 66 45.877 127.070 97.308 1.00 22.56 C +HETATM22378 SE MSE L 66 45.613 128.397 95.914 0.75 24.86 SE +HETATM22379 CE MSE L 66 47.379 128.267 95.046 1.00 20.92 C +ATOM 22380 N VAL L 67 43.629 129.257 98.786 1.00 18.86 N +ATOM 22381 CA VAL L 67 42.196 129.054 98.941 1.00 18.12 C +ATOM 22382 C VAL L 67 41.781 127.943 97.936 1.00 18.91 C +ATOM 22383 O VAL L 67 41.872 128.093 96.704 1.00 18.77 O +ATOM 22384 CB VAL L 67 41.391 130.354 98.736 1.00 19.87 C +ATOM 22385 CG1 VAL L 67 39.891 130.117 99.118 1.00 14.24 C +ATOM 22386 CG2 VAL L 67 41.977 131.481 99.556 1.00 17.93 C +HETATM22387 N MSE L 68 41.378 126.814 98.501 1.00 18.31 N +HETATM22388 CA MSE L 68 40.953 125.665 97.738 1.00 18.40 C +HETATM22389 C MSE L 68 39.543 125.882 97.165 1.00 19.01 C +HETATM22390 O MSE L 68 38.818 126.782 97.610 1.00 19.21 O +HETATM22391 CB MSE L 68 40.947 124.422 98.638 1.00 17.31 C +HETATM22392 CG MSE L 68 42.277 124.071 99.252 1.00 17.85 C +HETATM22393 SE MSE L 68 43.590 123.503 97.920 0.75 22.26 SE +HETATM22394 CE MSE L 68 42.727 121.701 97.359 1.00 16.86 C +ATOM 22395 N PRO L 69 39.144 125.049 96.174 1.00 19.86 N +ATOM 22396 CA PRO L 69 37.768 125.102 95.670 1.00 21.35 C +ATOM 22397 C PRO L 69 36.728 124.816 96.768 1.00 22.16 C +ATOM 22398 O PRO L 69 36.939 123.960 97.608 1.00 20.89 O +ATOM 22399 CB PRO L 69 37.744 124.007 94.602 1.00 21.32 C +ATOM 22400 CG PRO L 69 39.199 123.862 94.185 1.00 22.53 C +ATOM 22401 CD PRO L 69 39.953 124.047 95.443 1.00 20.35 C +ATOM 22402 N PRO L 70 35.625 125.561 96.779 1.00 22.40 N +ATOM 22403 CA PRO L 70 34.645 125.321 97.816 1.00 21.90 C +ATOM 22404 C PRO L 70 33.994 123.941 97.733 1.00 21.57 C +ATOM 22405 O PRO L 70 33.786 123.398 96.642 1.00 22.80 O +ATOM 22406 CB PRO L 70 33.607 126.418 97.591 1.00 23.36 C +ATOM 22407 CG PRO L 70 34.223 127.383 96.644 1.00 24.77 C +ATOM 22408 CD PRO L 70 35.242 126.647 95.862 1.00 22.50 C +ATOM 22409 N VAL L 71 33.711 123.367 98.893 1.00 20.87 N +ATOM 22410 CA VAL L 71 32.982 122.117 98.983 1.00 18.32 C +ATOM 22411 C VAL L 71 31.491 122.457 98.999 1.00 17.39 C +ATOM 22412 O VAL L 71 31.018 123.176 99.875 1.00 17.73 O +ATOM 22413 CB VAL L 71 33.414 121.337 100.243 1.00 20.07 C +ATOM 22414 CG1 VAL L 71 32.851 119.892 100.249 1.00 15.33 C +ATOM 22415 CG2 VAL L 71 34.957 121.333 100.335 1.00 17.91 C +ATOM 22416 N PRO L 72 30.737 122.012 97.991 1.00 17.13 N +ATOM 22417 CA PRO L 72 29.312 122.364 97.959 1.00 17.38 C +ATOM 22418 C PRO L 72 28.368 121.406 98.716 1.00 18.38 C +ATOM 22419 O PRO L 72 27.176 121.371 98.424 1.00 21.54 O +ATOM 22420 CB PRO L 72 29.022 122.314 96.462 1.00 20.36 C +ATOM 22421 CG PRO L 72 29.861 121.116 95.986 1.00 20.33 C +ATOM 22422 CD PRO L 72 31.156 121.249 96.799 1.00 18.07 C +ATOM 22423 N PHE L 73 28.883 120.665 99.697 1.00 17.80 N +ATOM 22424 CA PHE L 73 28.171 119.563 100.320 1.00 17.35 C +ATOM 22425 C PHE L 73 27.895 119.843 101.790 1.00 17.90 C +ATOM 22426 O PHE L 73 28.741 119.597 102.657 1.00 18.16 O +ATOM 22427 CB PHE L 73 28.976 118.254 100.122 1.00 17.73 C +ATOM 22428 CG PHE L 73 29.079 117.840 98.674 1.00 21.60 C +ATOM 22429 CD1 PHE L 73 27.924 117.565 97.936 1.00 24.18 C +ATOM 22430 CD2 PHE L 73 30.302 117.749 98.030 1.00 21.37 C +ATOM 22431 CE1 PHE L 73 27.989 117.221 96.608 1.00 23.23 C +ATOM 22432 CE2 PHE L 73 30.371 117.386 96.671 1.00 20.28 C +ATOM 22433 CZ PHE L 73 29.210 117.135 95.964 1.00 19.71 C +ATOM 22434 N GLY L 74 26.694 120.365 102.069 1.00 18.18 N +ATOM 22435 CA GLY L 74 26.342 120.809 103.403 1.00 17.30 C +ATOM 22436 C GLY L 74 25.415 119.806 104.041 1.00 16.96 C +ATOM 22437 O GLY L 74 24.871 118.963 103.359 1.00 17.02 O +ATOM 22438 N ALA L 75 25.259 119.889 105.360 1.00 16.89 N +ATOM 22439 CA ALA L 75 24.269 119.083 106.100 1.00 17.20 C +ATOM 22440 C ALA L 75 23.004 119.930 106.294 1.00 18.25 C +ATOM 22441 O ALA L 75 23.098 121.073 106.730 1.00 19.90 O +ATOM 22442 CB ALA L 75 24.869 118.639 107.481 1.00 18.24 C +ATOM 22443 N HIS L 76 21.835 119.363 105.986 1.00 19.54 N +ATOM 22444 CA HIS L 76 20.561 120.104 105.981 1.00 19.50 C +ATOM 22445 C HIS L 76 19.533 119.539 106.936 1.00 20.87 C +ATOM 22446 O HIS L 76 19.757 118.519 107.593 1.00 19.91 O +ATOM 22447 CB HIS L 76 20.035 120.261 104.542 1.00 19.15 C +ATOM 22448 CG HIS L 76 20.969 121.068 103.690 1.00 20.07 C +ATOM 22449 ND1 HIS L 76 21.248 122.397 103.952 1.00 23.40 N +ATOM 22450 CD2 HIS L 76 21.796 120.702 102.687 1.00 21.37 C +ATOM 22451 CE1 HIS L 76 22.183 122.820 103.114 1.00 24.01 C +ATOM 22452 NE2 HIS L 76 22.529 121.811 102.334 1.00 21.18 N +ATOM 22453 N ASN L 77 18.431 120.266 107.040 1.00 20.24 N +ATOM 22454 CA ASN L 77 17.414 120.038 108.033 1.00 21.11 C +ATOM 22455 C ASN L 77 16.193 119.383 107.401 1.00 22.19 C +ATOM 22456 O ASN L 77 15.973 119.453 106.168 1.00 22.40 O +ATOM 22457 CB ASN L 77 16.951 121.378 108.673 1.00 22.58 C +ATOM 22458 CG ASN L 77 17.937 121.943 109.670 1.00 24.02 C +ATOM 22459 OD1 ASN L 77 19.153 121.915 109.455 1.00 30.38 O +ATOM 22460 ND2 ASN L 77 17.417 122.508 110.749 1.00 25.51 N +ATOM 22461 N PRO L 78 15.353 118.794 108.247 1.00 23.10 N +ATOM 22462 CA PRO L 78 14.090 118.282 107.735 1.00 23.35 C +ATOM 22463 C PRO L 78 13.345 119.364 106.947 1.00 23.14 C +ATOM 22464 O PRO L 78 13.372 120.544 107.327 1.00 23.05 O +ATOM 22465 CB PRO L 78 13.342 117.881 109.012 1.00 25.72 C +ATOM 22466 CG PRO L 78 14.469 117.560 110.008 1.00 23.83 C +ATOM 22467 CD PRO L 78 15.496 118.597 109.703 1.00 23.77 C +ATOM 22468 N GLY L 79 12.776 118.970 105.811 1.00 22.34 N +ATOM 22469 CA GLY L 79 12.028 119.884 104.947 1.00 23.49 C +ATOM 22470 C GLY L 79 12.868 120.622 103.925 1.00 24.01 C +ATOM 22471 O GLY L 79 12.327 121.162 102.975 1.00 25.95 O +ATOM 22472 N GLN L 80 14.191 120.655 104.084 1.00 23.44 N +ATOM 22473 CA GLN L 80 15.000 121.307 103.061 1.00 23.84 C +ATOM 22474 C GLN L 80 15.270 120.386 101.874 1.00 24.81 C +ATOM 22475 O GLN L 80 15.386 120.844 100.719 1.00 25.03 O +ATOM 22476 CB GLN L 80 16.318 121.776 103.610 1.00 24.27 C +ATOM 22477 CG GLN L 80 16.251 122.857 104.659 1.00 23.45 C +ATOM 22478 CD GLN L 80 17.641 123.449 104.863 1.00 25.72 C +ATOM 22479 OE1 GLN L 80 18.465 122.900 105.591 1.00 27.56 O +ATOM 22480 NE2 GLN L 80 17.928 124.539 104.161 1.00 21.89 N +ATOM 22481 N ARG L 81 15.379 119.095 102.173 1.00 24.48 N +ATOM 22482 CA ARG L 81 15.746 118.077 101.211 1.00 26.42 C +ATOM 22483 C ARG L 81 14.714 117.890 100.080 1.00 26.58 C +ATOM 22484 O ARG L 81 15.068 117.495 98.957 1.00 27.86 O +ATOM 22485 CB ARG L 81 15.956 116.752 101.964 1.00 26.39 C +ATOM 22486 CG ARG L 81 16.685 115.705 101.144 1.00 30.29 C +ATOM 22487 CD ARG L 81 16.895 114.423 101.873 1.00 28.19 C +ATOM 22488 NE ARG L 81 15.645 113.853 102.350 1.00 35.44 N +ATOM 22489 CZ ARG L 81 15.525 112.614 102.807 1.00 36.08 C +ATOM 22490 NH1 ARG L 81 16.575 111.794 102.821 1.00 34.39 N +ATOM 22491 NH2 ARG L 81 14.343 112.187 103.239 1.00 38.52 N +ATOM 22492 N GLU L 82 13.453 118.179 100.386 1.00 27.09 N +ATOM 22493 CA GLU L 82 12.344 118.110 99.429 1.00 29.82 C +ATOM 22494 C GLU L 82 12.247 119.347 98.538 1.00 26.77 C +ATOM 22495 O GLU L 82 11.487 119.338 97.589 1.00 26.29 O +ATOM 22496 CB GLU L 82 11.012 117.926 100.188 1.00 30.89 C +ATOM 22497 CG GLU L 82 10.614 119.156 101.064 1.00 38.43 C +ATOM 22498 CD GLU L 82 9.278 119.025 101.850 1.00 40.18 C +ATOM 22499 OE1 GLU L 82 9.054 118.005 102.545 1.00 53.21 O +ATOM 22500 OE2 GLU L 82 8.471 119.996 101.801 1.00 52.64 O +ATOM 22501 N LEU L 83 12.984 120.418 98.853 1.00 25.32 N +ATOM 22502 CA LEU L 83 13.116 121.562 97.950 1.00 24.14 C +ATOM 22503 C LEU L 83 14.040 121.227 96.785 1.00 23.71 C +ATOM 22504 O LEU L 83 15.127 120.633 96.990 1.00 21.79 O +ATOM 22505 CB LEU L 83 13.681 122.780 98.658 1.00 23.46 C +ATOM 22506 CG LEU L 83 12.844 123.339 99.805 1.00 27.68 C +ATOM 22507 CD1 LEU L 83 13.624 124.431 100.581 1.00 24.83 C +ATOM 22508 CD2 LEU L 83 11.494 123.837 99.265 1.00 26.99 C +ATOM 22509 N PRO L 84 13.659 121.665 95.567 1.00 23.21 N +ATOM 22510 CA PRO L 84 14.383 121.273 94.385 1.00 22.77 C +ATOM 22511 C PRO L 84 15.867 121.682 94.436 1.00 21.66 C +ATOM 22512 O PRO L 84 16.202 122.831 94.761 1.00 21.55 O +ATOM 22513 CB PRO L 84 13.641 121.983 93.246 1.00 22.41 C +ATOM 22514 CG PRO L 84 12.802 122.998 93.884 1.00 25.39 C +ATOM 22515 CD PRO L 84 12.521 122.541 95.251 1.00 25.78 C +ATOM 22516 N PHE L 85 16.723 120.719 94.129 1.00 21.53 N +ATOM 22517 CA PHE L 85 18.167 120.917 94.011 1.00 20.75 C +ATOM 22518 C PHE L 85 18.933 121.144 95.302 1.00 20.78 C +ATOM 22519 O PHE L 85 20.149 121.389 95.254 1.00 22.67 O +ATOM 22520 CB PHE L 85 18.440 122.008 92.986 1.00 22.07 C +ATOM 22521 CG PHE L 85 17.615 121.837 91.716 1.00 24.40 C +ATOM 22522 CD1 PHE L 85 17.660 120.643 91.012 1.00 25.78 C +ATOM 22523 CD2 PHE L 85 16.801 122.864 91.239 1.00 24.03 C +ATOM 22524 CE1 PHE L 85 16.925 120.473 89.851 1.00 23.77 C +ATOM 22525 CE2 PHE L 85 16.042 122.690 90.080 1.00 25.47 C +ATOM 22526 CZ PHE L 85 16.115 121.496 89.387 1.00 23.00 C +ATOM 22527 N CYS L 86 18.260 120.987 96.445 1.00 21.33 N +ATOM 22528 CA CYS L 86 18.904 121.027 97.758 1.00 21.44 C +ATOM 22529 C CYS L 86 19.515 119.685 98.043 1.00 21.59 C +ATOM 22530 O CYS L 86 18.801 118.700 98.079 1.00 22.70 O +ATOM 22531 CB CYS L 86 17.892 121.327 98.829 1.00 22.88 C +ATOM 22532 SG CYS L 86 18.677 121.480 100.457 1.00 24.49 S +ATOM 22533 N ILE L 87 20.832 119.639 98.244 1.00 19.50 N +ATOM 22534 CA ILE L 87 21.534 118.353 98.445 1.00 19.59 C +ATOM 22535 C ILE L 87 21.980 118.160 99.900 1.00 18.78 C +ATOM 22536 O ILE L 87 22.873 118.848 100.384 1.00 18.95 O +ATOM 22537 CB ILE L 87 22.749 118.246 97.506 1.00 18.84 C +ATOM 22538 CG1 ILE L 87 22.315 118.452 96.035 1.00 20.50 C +ATOM 22539 CG2 ILE L 87 23.459 116.891 97.690 1.00 17.54 C +ATOM 22540 CD1 ILE L 87 21.296 117.426 95.453 1.00 16.69 C +ATOM 22541 N HIS L 88 21.307 117.267 100.625 1.00 18.80 N +ATOM 22542 CA HIS L 88 21.730 116.911 101.971 1.00 17.87 C +ATOM 22543 C HIS L 88 22.896 115.925 101.946 1.00 17.25 C +ATOM 22544 O HIS L 88 22.852 114.915 101.256 1.00 17.73 O +ATOM 22545 CB HIS L 88 20.592 116.344 102.776 1.00 19.74 C +ATOM 22546 CG HIS L 88 21.022 115.804 104.100 1.00 19.01 C +ATOM 22547 ND1 HIS L 88 21.478 116.612 105.116 1.00 21.42 N +ATOM 22548 CD2 HIS L 88 21.093 114.528 104.568 1.00 19.90 C +ATOM 22549 CE1 HIS L 88 21.791 115.860 106.163 1.00 22.51 C +ATOM 22550 NE2 HIS L 88 21.563 114.593 105.857 1.00 20.72 N +ATOM 22551 N THR L 89 23.953 116.254 102.684 1.00 17.39 N +ATOM 22552 CA THR L 89 25.147 115.429 102.766 1.00 17.63 C +ATOM 22553 C THR L 89 25.224 114.822 104.152 1.00 16.91 C +ATOM 22554 O THR L 89 25.134 115.546 105.135 1.00 17.53 O +ATOM 22555 CB THR L 89 26.389 116.281 102.535 1.00 17.14 C +ATOM 22556 OG1 THR L 89 26.212 117.018 101.333 1.00 21.14 O +ATOM 22557 CG2 THR L 89 27.645 115.436 102.414 1.00 14.03 C +ATOM 22558 N ARG L 90 25.381 113.504 104.249 1.00 14.65 N +ATOM 22559 CA ARG L 90 25.507 112.887 105.552 1.00 15.73 C +ATOM 22560 C ARG L 90 26.840 113.273 106.137 1.00 16.90 C +ATOM 22561 O ARG L 90 27.821 113.530 105.400 1.00 16.11 O +ATOM 22562 CB ARG L 90 25.460 111.354 105.457 1.00 17.21 C +ATOM 22563 CG ARG L 90 24.100 110.795 105.078 1.00 20.21 C +ATOM 22564 CD ARG L 90 24.228 109.327 104.683 1.00 20.69 C +ATOM 22565 NE ARG L 90 24.791 109.146 103.351 1.00 26.03 N +ATOM 22566 CZ ARG L 90 25.157 107.965 102.834 1.00 29.14 C +ATOM 22567 NH1 ARG L 90 25.082 106.857 103.560 1.00 28.75 N +ATOM 22568 NH2 ARG L 90 25.647 107.889 101.598 1.00 25.55 N +ATOM 22569 N TYR L 91 26.891 113.273 107.465 1.00 17.67 N +ATOM 22570 CA TYR L 91 28.106 113.567 108.200 1.00 17.40 C +ATOM 22571 C TYR L 91 29.257 112.659 107.727 1.00 15.61 C +ATOM 22572 O TYR L 91 30.380 113.112 107.512 1.00 17.37 O +ATOM 22573 CB TYR L 91 27.854 113.379 109.720 1.00 19.93 C +ATOM 22574 CG TYR L 91 28.977 113.921 110.606 1.00 19.75 C +ATOM 22575 CD1 TYR L 91 30.142 113.196 110.801 1.00 22.10 C +ATOM 22576 CD2 TYR L 91 28.861 115.158 111.217 1.00 22.34 C +ATOM 22577 CE1 TYR L 91 31.172 113.696 111.597 1.00 24.57 C +ATOM 22578 CE2 TYR L 91 29.855 115.658 111.999 1.00 23.32 C +ATOM 22579 CZ TYR L 91 31.021 114.920 112.178 1.00 24.18 C +ATOM 22580 OH TYR L 91 32.019 115.434 112.967 1.00 33.08 O +ATOM 22581 N ALA L 92 28.970 111.368 107.593 1.00 16.52 N +ATOM 22582 CA ALA L 92 29.997 110.394 107.213 1.00 15.71 C +ATOM 22583 C ALA L 92 30.506 110.682 105.790 1.00 15.58 C +ATOM 22584 O ALA L 92 31.621 110.366 105.452 1.00 15.81 O +ATOM 22585 CB ALA L 92 29.452 108.930 107.350 1.00 13.87 C +ATOM 22586 N THR L 93 29.678 111.301 104.946 1.00 16.19 N +ATOM 22587 CA THR L 93 30.097 111.703 103.600 1.00 14.65 C +ATOM 22588 C THR L 93 31.074 112.869 103.662 1.00 15.95 C +ATOM 22589 O THR L 93 32.183 112.824 103.076 1.00 15.50 O +ATOM 22590 CB THR L 93 28.858 112.082 102.735 1.00 17.03 C +ATOM 22591 OG1 THR L 93 28.020 110.927 102.627 1.00 14.25 O +ATOM 22592 CG2 THR L 93 29.278 112.591 101.307 1.00 13.71 C +ATOM 22593 N GLN L 94 30.662 113.903 104.401 1.00 16.65 N +ATOM 22594 CA GLN L 94 31.519 115.039 104.681 1.00 15.94 C +ATOM 22595 C GLN L 94 32.861 114.584 105.293 1.00 15.38 C +ATOM 22596 O GLN L 94 33.921 115.067 104.899 1.00 15.65 O +ATOM 22597 CB GLN L 94 30.817 116.001 105.650 1.00 16.88 C +ATOM 22598 CG GLN L 94 29.517 116.545 105.165 1.00 18.62 C +ATOM 22599 CD GLN L 94 28.961 117.585 106.102 1.00 17.36 C +ATOM 22600 OE1 GLN L 94 28.837 117.358 107.320 1.00 21.55 O +ATOM 22601 NE2 GLN L 94 28.624 118.742 105.544 1.00 12.53 N +ATOM 22602 N GLN L 95 32.814 113.677 106.277 1.00 16.74 N +ATOM 22603 CA GLN L 95 34.042 113.185 106.895 1.00 16.92 C +ATOM 22604 C GLN L 95 34.941 112.485 105.897 1.00 15.27 C +ATOM 22605 O GLN L 95 36.151 112.619 105.957 1.00 17.32 O +ATOM 22606 CB GLN L 95 33.776 112.261 108.086 1.00 16.81 C +ATOM 22607 CG GLN L 95 35.031 111.931 108.872 1.00 20.66 C +ATOM 22608 CD GLN L 95 34.796 110.915 109.999 1.00 27.47 C +ATOM 22609 OE1 GLN L 95 34.065 111.162 110.940 1.00 32.19 O +ATOM 22610 NE2 GLN L 95 35.444 109.762 109.887 1.00 41.27 N +ATOM 22611 N ALA L 96 34.360 111.717 104.997 1.00 16.05 N +ATOM 22612 CA ALA L 96 35.133 111.028 103.970 1.00 15.56 C +ATOM 22613 C ALA L 96 35.785 112.029 103.044 1.00 16.51 C +ATOM 22614 O ALA L 96 36.965 111.890 102.690 1.00 14.90 O +ATOM 22615 CB ALA L 96 34.238 110.017 103.207 1.00 14.16 C +ATOM 22616 N ILE L 97 35.042 113.084 102.691 1.00 16.25 N +ATOM 22617 CA ILE L 97 35.617 114.199 101.914 1.00 15.09 C +ATOM 22618 C ILE L 97 36.821 114.834 102.618 1.00 15.40 C +ATOM 22619 O ILE L 97 37.883 114.956 102.032 1.00 16.18 O +ATOM 22620 CB ILE L 97 34.550 115.308 101.620 1.00 15.74 C +ATOM 22621 CG1 ILE L 97 33.477 114.813 100.638 1.00 17.02 C +ATOM 22622 CG2 ILE L 97 35.201 116.523 101.026 1.00 16.91 C +ATOM 22623 CD1 ILE L 97 32.252 115.758 100.521 1.00 15.91 C +ATOM 22624 N LEU L 98 36.649 115.261 103.869 1.00 16.46 N +ATOM 22625 CA LEU L 98 37.721 115.945 104.598 1.00 16.42 C +ATOM 22626 C LEU L 98 38.916 115.033 104.775 1.00 17.26 C +ATOM 22627 O LEU L 98 40.042 115.506 104.675 1.00 18.16 O +ATOM 22628 CB LEU L 98 37.259 116.444 105.965 1.00 16.79 C +ATOM 22629 CG LEU L 98 38.226 117.355 106.748 1.00 19.72 C +ATOM 22630 CD1 LEU L 98 38.577 118.558 105.880 1.00 12.65 C +ATOM 22631 CD2 LEU L 98 37.660 117.796 108.110 1.00 15.15 C +ATOM 22632 N GLU L 99 38.679 113.740 105.072 1.00 17.72 N +ATOM 22633 CA GLU L 99 39.782 112.758 105.143 1.00 18.07 C +ATOM 22634 C GLU L 99 40.626 112.727 103.866 1.00 17.77 C +ATOM 22635 O GLU L 99 41.856 112.720 103.921 1.00 17.25 O +ATOM 22636 CB GLU L 99 39.265 111.348 105.453 1.00 18.71 C +ATOM 22637 CG GLU L 99 38.882 111.133 106.929 1.00 18.23 C +ATOM 22638 CD GLU L 99 38.093 109.841 107.218 1.00 22.51 C +ATOM 22639 OE1 GLU L 99 37.756 109.050 106.297 1.00 24.18 O +ATOM 22640 OE2 GLU L 99 37.794 109.630 108.403 1.00 23.44 O +ATOM 22641 N ASP L 100 39.962 112.702 102.714 1.00 16.90 N +ATOM 22642 CA ASP L 100 40.654 112.653 101.423 1.00 17.02 C +ATOM 22643 C ASP L 100 41.418 113.947 101.118 1.00 17.56 C +ATOM 22644 O ASP L 100 42.538 113.904 100.615 1.00 18.56 O +ATOM 22645 CB ASP L 100 39.669 112.285 100.304 1.00 19.11 C +ATOM 22646 CG ASP L 100 39.242 110.810 100.361 1.00 20.00 C +ATOM 22647 OD1 ASP L 100 39.818 110.075 101.169 1.00 26.67 O +ATOM 22648 OD2 ASP L 100 38.315 110.385 99.640 1.00 21.08 O +ATOM 22649 N ILE L 101 40.840 115.097 101.459 1.00 17.88 N +ATOM 22650 CA ILE L 101 41.536 116.386 101.353 1.00 16.12 C +ATOM 22651 C ILE L 101 42.799 116.417 102.269 1.00 17.30 C +ATOM 22652 O ILE L 101 43.889 116.731 101.817 1.00 18.21 O +ATOM 22653 CB ILE L 101 40.577 117.588 101.666 1.00 18.07 C +ATOM 22654 CG1 ILE L 101 39.490 117.721 100.590 1.00 13.95 C +ATOM 22655 CG2 ILE L 101 41.324 118.908 101.757 1.00 15.98 C +ATOM 22656 CD1 ILE L 101 38.293 118.605 101.038 1.00 15.65 C +ATOM 22657 N VAL L 102 42.644 116.057 103.537 1.00 17.36 N +ATOM 22658 CA VAL L 102 43.721 116.119 104.496 1.00 17.35 C +ATOM 22659 C VAL L 102 44.827 115.135 104.114 1.00 17.99 C +ATOM 22660 O VAL L 102 46.003 115.449 104.192 1.00 18.96 O +ATOM 22661 CB VAL L 102 43.192 115.897 105.946 1.00 18.52 C +ATOM 22662 CG1 VAL L 102 44.331 115.759 106.932 1.00 17.84 C +ATOM 22663 CG2 VAL L 102 42.274 117.035 106.358 1.00 18.02 C +ATOM 22664 N SER L 103 44.456 113.962 103.673 1.00 17.12 N +ATOM 22665 CA SER L 103 45.440 112.960 103.246 1.00 17.15 C +ATOM 22666 C SER L 103 46.302 113.435 102.097 1.00 18.11 C +ATOM 22667 O SER L 103 47.500 113.236 102.091 1.00 19.43 O +ATOM 22668 CB SER L 103 44.723 111.651 102.875 1.00 13.76 C +ATOM 22669 OG SER L 103 45.619 110.701 102.331 1.00 22.02 O +ATOM 22670 N SER L 104 45.690 114.075 101.102 1.00 18.73 N +ATOM 22671 CA SER L 104 46.440 114.573 99.957 1.00 17.87 C +ATOM 22672 C SER L 104 47.334 115.748 100.380 1.00 17.54 C +ATOM 22673 O SER L 104 48.489 115.797 99.985 1.00 18.06 O +ATOM 22674 CB SER L 104 45.503 114.985 98.800 1.00 18.17 C +ATOM 22675 OG SER L 104 44.797 113.860 98.241 1.00 21.62 O +ATOM 22676 N LEU L 105 46.797 116.687 101.156 1.00 17.36 N +ATOM 22677 CA LEU L 105 47.549 117.876 101.559 1.00 17.78 C +ATOM 22678 C LEU L 105 48.736 117.497 102.448 1.00 18.75 C +ATOM 22679 O LEU L 105 49.807 118.088 102.348 1.00 18.91 O +ATOM 22680 CB LEU L 105 46.660 118.902 102.306 1.00 17.25 C +ATOM 22681 CG LEU L 105 45.515 119.610 101.571 1.00 19.58 C +ATOM 22682 CD1 LEU L 105 44.771 120.405 102.619 1.00 14.37 C +ATOM 22683 CD2 LEU L 105 45.949 120.541 100.366 1.00 14.47 C +ATOM 22684 N HIS L 106 48.551 116.518 103.315 1.00 19.39 N +ATOM 22685 CA HIS L 106 49.621 116.016 104.171 1.00 21.35 C +ATOM 22686 C HIS L 106 50.774 115.406 103.372 1.00 20.85 C +ATOM 22687 O HIS L 106 51.938 115.673 103.639 1.00 22.49 O +ATOM 22688 CB HIS L 106 49.039 114.972 105.165 1.00 23.55 C +ATOM 22689 CG HIS L 106 49.988 114.588 106.253 1.00 24.73 C +ATOM 22690 ND1 HIS L 106 50.889 113.554 106.127 1.00 26.74 N +ATOM 22691 CD2 HIS L 106 50.184 115.112 107.485 1.00 25.40 C +ATOM 22692 CE1 HIS L 106 51.595 113.459 107.234 1.00 26.69 C +ATOM 22693 NE2 HIS L 106 51.200 114.408 108.065 1.00 24.56 N +ATOM 22694 N VAL L 107 50.438 114.570 102.401 1.00 21.64 N +ATOM 22695 CA VAL L 107 51.402 113.981 101.473 1.00 22.53 C +ATOM 22696 C VAL L 107 52.190 115.084 100.738 1.00 22.05 C +ATOM 22697 O VAL L 107 53.358 114.929 100.471 1.00 22.65 O +ATOM 22698 CB VAL L 107 50.701 113.021 100.441 1.00 23.82 C +ATOM 22699 CG1 VAL L 107 51.604 112.756 99.236 1.00 26.18 C +ATOM 22700 CG2 VAL L 107 50.302 111.697 101.103 1.00 26.23 C +ATOM 22701 N GLN L 108 51.533 116.189 100.440 1.00 21.55 N +ATOM 22702 CA GLN L 108 52.152 117.320 99.785 1.00 21.82 C +ATOM 22703 C GLN L 108 53.035 118.173 100.731 1.00 23.02 C +ATOM 22704 O GLN L 108 53.718 119.061 100.275 1.00 23.52 O +ATOM 22705 CB GLN L 108 51.074 118.178 99.117 1.00 22.15 C +ATOM 22706 CG GLN L 108 50.334 117.427 98.001 1.00 19.27 C +ATOM 22707 CD GLN L 108 48.925 117.913 97.773 1.00 19.80 C +ATOM 22708 OE1 GLN L 108 48.610 119.064 98.060 1.00 22.34 O +ATOM 22709 NE2 GLN L 108 48.061 117.034 97.245 1.00 18.17 N +ATOM 22710 N GLY L 109 53.029 117.891 102.035 1.00 23.08 N +ATOM 22711 CA GLY L 109 53.887 118.594 103.007 1.00 22.09 C +ATOM 22712 C GLY L 109 53.188 119.712 103.771 1.00 22.05 C +ATOM 22713 O GLY L 109 53.783 120.370 104.599 1.00 21.78 O +ATOM 22714 N PHE L 110 51.905 119.910 103.527 1.00 20.84 N +ATOM 22715 CA PHE L 110 51.153 120.935 104.221 1.00 19.78 C +ATOM 22716 C PHE L 110 50.726 120.447 105.585 1.00 20.64 C +ATOM 22717 O PHE L 110 50.419 119.265 105.747 1.00 21.16 O +ATOM 22718 CB PHE L 110 49.920 121.335 103.398 1.00 20.46 C +ATOM 22719 CG PHE L 110 50.267 121.913 102.056 1.00 20.62 C +ATOM 22720 CD1 PHE L 110 51.012 123.093 101.964 1.00 22.58 C +ATOM 22721 CD2 PHE L 110 49.841 121.313 100.891 1.00 23.22 C +ATOM 22722 CE1 PHE L 110 51.320 123.624 100.741 1.00 21.59 C +ATOM 22723 CE2 PHE L 110 50.161 121.853 99.663 1.00 19.56 C +ATOM 22724 CZ PHE L 110 50.897 122.999 99.593 1.00 19.73 C +ATOM 22725 N ARG L 111 50.676 121.374 106.547 1.00 19.90 N +ATOM 22726 CA ARG L 111 50.468 121.045 107.951 1.00 21.56 C +ATOM 22727 C ARG L 111 49.516 121.990 108.664 1.00 20.71 C +ATOM 22728 O ARG L 111 49.401 121.921 109.880 1.00 20.88 O +ATOM 22729 CB ARG L 111 51.806 121.046 108.712 1.00 21.33 C +ATOM 22730 CG ARG L 111 52.785 119.986 108.228 1.00 21.63 C +ATOM 22731 CD ARG L 111 52.345 118.613 108.619 1.00 21.32 C +ATOM 22732 NE ARG L 111 53.319 117.624 108.200 1.00 21.87 N +ATOM 22733 CZ ARG L 111 53.338 117.010 107.024 1.00 23.77 C +ATOM 22734 NH1 ARG L 111 52.431 117.263 106.085 1.00 24.33 N +ATOM 22735 NH2 ARG L 111 54.267 116.122 106.773 1.00 22.55 N +ATOM 22736 N LYS L 112 48.860 122.889 107.942 1.00 19.95 N +ATOM 22737 CA LYS L 112 47.949 123.832 108.567 1.00 19.97 C +ATOM 22738 C LYS L 112 46.774 124.094 107.642 1.00 19.57 C +ATOM 22739 O LYS L 112 46.976 124.427 106.460 1.00 19.92 O +ATOM 22740 CB LYS L 112 48.670 125.130 108.852 1.00 22.29 C +ATOM 22741 CG LYS L 112 49.949 124.951 109.674 1.00 28.40 C +ATOM 22742 CD LYS L 112 50.701 126.219 109.895 1.00 33.24 C +ATOM 22743 CE LYS L 112 51.954 125.952 110.767 1.00 39.94 C +ATOM 22744 NZ LYS L 112 51.665 125.661 112.224 1.00 39.72 N +ATOM 22745 N LEU L 113 45.564 123.958 108.177 1.00 18.93 N +ATOM 22746 CA LEU L 113 44.330 124.108 107.403 1.00 18.45 C +ATOM 22747 C LEU L 113 43.270 124.840 108.208 1.00 17.81 C +ATOM 22748 O LEU L 113 43.041 124.538 109.371 1.00 19.27 O +ATOM 22749 CB LEU L 113 43.803 122.711 106.998 1.00 16.64 C +ATOM 22750 CG LEU L 113 42.462 122.578 106.288 1.00 19.14 C +ATOM 22751 CD1 LEU L 113 42.524 123.260 104.880 1.00 12.68 C +ATOM 22752 CD2 LEU L 113 42.025 121.072 106.214 1.00 18.66 C +ATOM 22753 N LEU L 114 42.616 125.801 107.592 1.00 17.88 N +ATOM 22754 CA LEU L 114 41.432 126.411 108.146 1.00 17.55 C +ATOM 22755 C LEU L 114 40.267 126.057 107.249 1.00 17.66 C +ATOM 22756 O LEU L 114 40.343 126.303 106.075 1.00 18.64 O +ATOM 22757 CB LEU L 114 41.559 127.933 108.219 1.00 18.74 C +ATOM 22758 CG LEU L 114 40.278 128.615 108.718 1.00 17.53 C +ATOM 22759 CD1 LEU L 114 40.142 128.461 110.274 1.00 13.54 C +ATOM 22760 CD2 LEU L 114 40.218 130.067 108.306 1.00 20.82 C +ATOM 22761 N ILE L 115 39.218 125.478 107.840 1.00 17.38 N +ATOM 22762 CA ILE L 115 37.957 125.240 107.187 1.00 17.86 C +ATOM 22763 C ILE L 115 37.120 126.478 107.447 1.00 18.20 C +ATOM 22764 O ILE L 115 36.821 126.791 108.587 1.00 18.90 O +ATOM 22765 CB ILE L 115 37.191 123.942 107.723 1.00 18.70 C +ATOM 22766 CG1 ILE L 115 38.060 122.681 107.571 1.00 21.49 C +ATOM 22767 CG2 ILE L 115 35.938 123.756 106.946 1.00 17.90 C +ATOM 22768 CD1 ILE L 115 37.516 121.388 108.266 1.00 18.57 C +ATOM 22769 N LEU L 116 36.790 127.214 106.396 1.00 17.93 N +ATOM 22770 CA LEU L 116 35.976 128.411 106.525 1.00 17.38 C +ATOM 22771 C LEU L 116 34.608 128.068 105.970 1.00 17.82 C +ATOM 22772 O LEU L 116 34.423 128.007 104.749 1.00 17.93 O +ATOM 22773 CB LEU L 116 36.601 129.567 105.753 1.00 17.21 C +ATOM 22774 CG LEU L 116 35.993 130.956 105.997 1.00 20.06 C +ATOM 22775 CD1 LEU L 116 35.975 131.349 107.486 1.00 15.42 C +ATOM 22776 CD2 LEU L 116 36.801 131.966 105.188 1.00 18.68 C +ATOM 22777 N SER L 117 33.655 127.844 106.876 1.00 18.32 N +ATOM 22778 CA SER L 117 32.319 127.390 106.481 1.00 18.77 C +ATOM 22779 C SER L 117 31.404 128.564 106.145 1.00 20.38 C +ATOM 22780 O SER L 117 31.415 129.570 106.828 1.00 20.75 O +ATOM 22781 CB SER L 117 31.702 126.508 107.582 1.00 17.84 C +ATOM 22782 OG SER L 117 30.334 126.158 107.333 1.00 19.42 O +ATOM 22783 N GLY L 118 30.574 128.399 105.109 1.00 21.07 N +ATOM 22784 CA GLY L 118 29.482 129.330 104.841 1.00 20.53 C +ATOM 22785 C GLY L 118 28.125 128.818 105.256 1.00 20.14 C +ATOM 22786 O GLY L 118 27.127 129.506 105.068 1.00 22.05 O +ATOM 22787 N HIS L 119 28.055 127.619 105.827 1.00 20.14 N +ATOM 22788 CA HIS L 119 26.770 127.010 106.202 1.00 21.18 C +ATOM 22789 C HIS L 119 26.803 126.510 107.651 1.00 22.57 C +ATOM 22790 O HIS L 119 27.610 125.640 108.005 1.00 23.59 O +ATOM 22791 CB HIS L 119 26.484 125.866 105.251 1.00 22.35 C +ATOM 22792 CG HIS L 119 25.270 125.063 105.580 1.00 17.83 C +ATOM 22793 ND1 HIS L 119 24.011 125.608 105.659 1.00 24.54 N +ATOM 22794 CD2 HIS L 119 25.113 123.734 105.772 1.00 22.60 C +ATOM 22795 CE1 HIS L 119 23.134 124.660 105.936 1.00 23.64 C +ATOM 22796 NE2 HIS L 119 23.775 123.509 106.002 1.00 21.34 N +ATOM 22797 N GLY L 120 25.925 127.084 108.479 1.00 22.69 N +ATOM 22798 CA GLY L 120 25.900 126.812 109.908 1.00 23.24 C +ATOM 22799 C GLY L 120 25.477 125.400 110.253 1.00 23.53 C +ATOM 22800 O GLY L 120 25.801 124.891 111.311 1.00 25.11 O +ATOM 22801 N GLY L 121 24.756 124.754 109.357 1.00 23.68 N +ATOM 22802 CA GLY L 121 24.460 123.328 109.517 1.00 23.19 C +ATOM 22803 C GLY L 121 25.674 122.409 109.458 1.00 22.68 C +ATOM 22804 O GLY L 121 25.600 121.248 109.844 1.00 22.93 O +ATOM 22805 N ASN L 122 26.792 122.928 108.967 1.00 22.54 N +ATOM 22806 CA ASN L 122 28.046 122.178 108.949 1.00 21.59 C +ATOM 22807 C ASN L 122 28.703 122.238 110.330 1.00 22.27 C +ATOM 22808 O ASN L 122 28.866 123.322 110.918 1.00 21.96 O +ATOM 22809 CB ASN L 122 29.020 122.705 107.893 1.00 19.94 C +ATOM 22810 CG ASN L 122 28.548 122.491 106.488 1.00 22.66 C +ATOM 22811 OD1 ASN L 122 27.812 121.528 106.195 1.00 22.55 O +ATOM 22812 ND2 ASN L 122 28.963 123.394 105.582 1.00 18.61 N +ATOM 22813 N ASN L 123 29.070 121.062 110.847 1.00 21.40 N +ATOM 22814 CA ASN L 123 29.790 120.932 112.126 1.00 22.74 C +ATOM 22815 C ASN L 123 31.054 120.070 111.922 1.00 20.89 C +ATOM 22816 O ASN L 123 30.968 118.939 111.448 1.00 21.80 O +ATOM 22817 CB ASN L 123 28.855 120.342 113.187 1.00 25.45 C +ATOM 22818 CG ASN L 123 27.815 121.368 113.688 1.00 31.21 C +ATOM 22819 OD1 ASN L 123 28.154 122.285 114.450 1.00 39.23 O +ATOM 22820 ND2 ASN L 123 26.547 121.222 113.242 1.00 31.09 N +ATOM 22821 N PHE L 124 32.209 120.631 112.240 1.00 19.86 N +ATOM 22822 CA PHE L 124 33.494 120.018 111.964 1.00 19.22 C +ATOM 22823 C PHE L 124 34.261 119.597 113.194 1.00 18.89 C +ATOM 22824 O PHE L 124 35.322 119.038 113.067 1.00 19.61 O +ATOM 22825 CB PHE L 124 34.366 120.993 111.128 1.00 18.45 C +ATOM 22826 CG PHE L 124 33.726 121.384 109.815 1.00 21.12 C +ATOM 22827 CD1 PHE L 124 33.703 120.490 108.746 1.00 21.67 C +ATOM 22828 CD2 PHE L 124 33.081 122.619 109.659 1.00 17.28 C +ATOM 22829 CE1 PHE L 124 33.074 120.825 107.534 1.00 15.06 C +ATOM 22830 CE2 PHE L 124 32.436 122.938 108.445 1.00 15.08 C +ATOM 22831 CZ PHE L 124 32.452 122.029 107.397 1.00 17.84 C +ATOM 22832 N LYS L 125 33.758 119.860 114.395 1.00 19.45 N +ATOM 22833 CA LYS L 125 34.590 119.627 115.583 1.00 19.31 C +ATOM 22834 C LYS L 125 34.990 118.157 115.759 1.00 18.91 C +ATOM 22835 O LYS L 125 36.154 117.858 116.039 1.00 20.28 O +ATOM 22836 CB LYS L 125 33.879 120.118 116.860 1.00 20.29 C +ATOM 22837 CG LYS L 125 33.667 121.614 116.931 1.00 18.59 C +ATOM 22838 CD LYS L 125 32.988 121.982 118.250 1.00 23.82 C +ATOM 22839 CE LYS L 125 32.962 123.490 118.562 1.00 24.98 C +ATOM 22840 NZ LYS L 125 32.680 124.252 117.337 1.00 32.13 N +ATOM 22841 N GLY L 126 34.004 117.273 115.634 1.00 17.78 N +ATOM 22842 CA GLY L 126 34.205 115.821 115.712 1.00 18.51 C +ATOM 22843 C GLY L 126 35.150 115.242 114.675 1.00 19.44 C +ATOM 22844 O GLY L 126 35.990 114.377 114.986 1.00 18.12 O +HETATM22845 N MSE L 127 35.010 115.720 113.448 1.00 19.32 N +HETATM22846 CA MSE L 127 35.927 115.360 112.361 1.00 19.82 C +HETATM22847 C MSE L 127 37.337 115.782 112.667 1.00 18.00 C +HETATM22848 O MSE L 127 38.278 115.061 112.392 1.00 17.49 O +HETATM22849 CB MSE L 127 35.511 116.087 111.071 1.00 21.71 C +HETATM22850 CG MSE L 127 34.178 115.680 110.547 1.00 21.47 C +HETATM22851 SE MSE L 127 33.850 116.507 108.826 0.75 22.16 SE +HETATM22852 CE MSE L 127 31.967 116.566 108.964 1.00 15.36 C +ATOM 22853 N ILE L 128 37.471 116.989 113.186 1.00 18.53 N +ATOM 22854 CA ILE L 128 38.786 117.562 113.497 1.00 18.42 C +ATOM 22855 C ILE L 128 39.430 116.774 114.633 1.00 18.41 C +ATOM 22856 O ILE L 128 40.621 116.504 114.585 1.00 18.15 O +ATOM 22857 CB ILE L 128 38.678 119.080 113.854 1.00 17.22 C +ATOM 22858 CG1 ILE L 128 38.510 119.875 112.583 1.00 19.61 C +ATOM 22859 CG2 ILE L 128 39.920 119.559 114.619 1.00 20.04 C +ATOM 22860 CD1 ILE L 128 38.212 121.330 112.769 1.00 15.52 C +ATOM 22861 N ARG L 129 38.632 116.380 115.632 1.00 18.41 N +ATOM 22862 CA ARG L 129 39.146 115.585 116.742 1.00 18.48 C +ATOM 22863 C ARG L 129 39.694 114.233 116.310 1.00 19.26 C +ATOM 22864 O ARG L 129 40.784 113.830 116.730 1.00 19.82 O +ATOM 22865 CB ARG L 129 38.075 115.350 117.779 1.00 19.94 C +ATOM 22866 CG ARG L 129 37.800 116.556 118.664 1.00 21.96 C +ATOM 22867 CD ARG L 129 36.849 116.205 119.794 1.00 21.92 C +ATOM 22868 NE ARG L 129 36.913 117.236 120.830 1.00 20.98 N +ATOM 22869 CZ ARG L 129 36.004 118.184 120.980 1.00 23.92 C +ATOM 22870 NH1 ARG L 129 34.905 118.209 120.217 1.00 24.33 N +ATOM 22871 NH2 ARG L 129 36.168 119.082 121.927 1.00 23.54 N +ATOM 22872 N ASP L 130 38.933 113.543 115.471 1.00 18.93 N +ATOM 22873 CA ASP L 130 39.331 112.214 114.965 1.00 19.38 C +ATOM 22874 C ASP L 130 40.577 112.335 114.074 1.00 19.35 C +ATOM 22875 O ASP L 130 41.477 111.490 114.115 1.00 20.46 O +ATOM 22876 CB ASP L 130 38.146 111.525 114.230 1.00 19.71 C +ATOM 22877 CG ASP L 130 36.966 111.167 115.168 1.00 23.39 C +ATOM 22878 OD1 ASP L 130 37.155 111.145 116.415 1.00 24.14 O +ATOM 22879 OD2 ASP L 130 35.841 110.878 114.650 1.00 21.07 O +ATOM 22880 N LEU L 131 40.656 113.408 113.304 1.00 19.42 N +ATOM 22881 CA LEU L 131 41.817 113.629 112.443 1.00 20.15 C +ATOM 22882 C LEU L 131 43.083 113.988 113.227 1.00 20.53 C +ATOM 22883 O LEU L 131 44.203 113.688 112.783 1.00 20.96 O +ATOM 22884 CB LEU L 131 41.525 114.675 111.358 1.00 20.46 C +ATOM 22885 CG LEU L 131 40.803 114.114 110.115 1.00 23.67 C +ATOM 22886 CD1 LEU L 131 40.218 115.231 109.362 1.00 22.07 C +ATOM 22887 CD2 LEU L 131 41.698 113.239 109.209 1.00 15.69 C +ATOM 22888 N ALA L 132 42.904 114.620 114.383 1.00 21.42 N +ATOM 22889 CA ALA L 132 44.022 115.040 115.232 1.00 21.85 C +ATOM 22890 C ALA L 132 44.823 113.844 115.686 1.00 22.04 C +ATOM 22891 O ALA L 132 46.048 113.921 115.820 1.00 24.06 O +ATOM 22892 CB ALA L 132 43.514 115.829 116.417 1.00 20.99 C +ATOM 22893 N PHE L 133 44.149 112.730 115.901 1.00 23.99 N +ATOM 22894 CA PHE L 133 44.817 111.488 116.304 1.00 25.33 C +ATOM 22895 C PHE L 133 45.399 110.763 115.100 1.00 26.26 C +ATOM 22896 O PHE L 133 46.428 110.115 115.222 1.00 27.55 O +ATOM 22897 CB PHE L 133 43.843 110.559 117.059 1.00 26.26 C +ATOM 22898 CG PHE L 133 43.327 111.128 118.340 1.00 24.24 C +ATOM 22899 CD1 PHE L 133 44.197 111.548 119.342 1.00 27.73 C +ATOM 22900 CD2 PHE L 133 41.961 111.233 118.568 1.00 26.19 C +ATOM 22901 CE1 PHE L 133 43.724 112.078 120.543 1.00 24.03 C +ATOM 22902 CE2 PHE L 133 41.478 111.782 119.772 1.00 23.82 C +ATOM 22903 CZ PHE L 133 42.347 112.178 120.762 1.00 23.05 C +ATOM 22904 N GLU L 134 44.768 110.874 113.927 1.00 27.06 N +ATOM 22905 CA GLU L 134 45.315 110.247 112.710 1.00 31.99 C +ATOM 22906 C GLU L 134 46.517 111.039 112.194 1.00 26.03 C +ATOM 22907 O GLU L 134 47.490 110.456 111.714 1.00 25.11 O +ATOM 22908 CB GLU L 134 44.285 110.180 111.552 1.00 33.97 C +ATOM 22909 CG GLU L 134 43.064 109.242 111.687 1.00 42.68 C +ATOM 22910 CD GLU L 134 42.105 109.412 110.459 1.00 46.35 C +ATOM 22911 OE1 GLU L 134 40.898 109.746 110.635 1.00 48.77 O +ATOM 22912 OE2 GLU L 134 42.581 109.253 109.301 1.00 67.73 O +ATOM 22913 N TYR L 135 46.416 112.368 112.234 1.00 23.56 N +ATOM 22914 CA TYR L 135 47.496 113.261 111.755 1.00 22.19 C +ATOM 22915 C TYR L 135 47.907 114.250 112.861 1.00 23.05 C +ATOM 22916 O TYR L 135 47.560 115.425 112.818 1.00 20.98 O +ATOM 22917 CB TYR L 135 47.051 114.044 110.519 1.00 22.59 C +ATOM 22918 CG TYR L 135 46.627 113.186 109.345 1.00 21.61 C +ATOM 22919 CD1 TYR L 135 47.560 112.708 108.425 1.00 23.19 C +ATOM 22920 CD2 TYR L 135 45.301 112.827 109.181 1.00 19.68 C +ATOM 22921 CE1 TYR L 135 47.169 111.923 107.336 1.00 25.09 C +ATOM 22922 CE2 TYR L 135 44.891 112.039 108.122 1.00 23.12 C +ATOM 22923 CZ TYR L 135 45.815 111.594 107.183 1.00 26.85 C +ATOM 22924 OH TYR L 135 45.361 110.803 106.127 1.00 23.47 O +ATOM 22925 N PRO L 136 48.675 113.782 113.845 1.00 24.69 N +ATOM 22926 CA PRO L 136 48.962 114.649 114.991 1.00 25.49 C +ATOM 22927 C PRO L 136 49.776 115.885 114.652 1.00 25.91 C +ATOM 22928 O PRO L 136 49.754 116.854 115.420 1.00 27.33 O +ATOM 22929 CB PRO L 136 49.704 113.727 115.956 1.00 27.32 C +ATOM 22930 CG PRO L 136 50.218 112.566 115.104 1.00 26.87 C +ATOM 22931 CD PRO L 136 49.268 112.433 113.975 1.00 26.91 C +ATOM 22932 N ASP L 137 50.417 115.898 113.486 1.00 25.89 N +ATOM 22933 CA ASP L 137 51.233 117.035 113.059 1.00 25.91 C +ATOM 22934 C ASP L 137 50.506 118.024 112.156 1.00 24.38 C +ATOM 22935 O ASP L 137 51.111 118.962 111.689 1.00 23.66 O +ATOM 22936 CB ASP L 137 52.514 116.544 112.353 1.00 27.59 C +ATOM 22937 CG ASP L 137 52.241 115.658 111.123 1.00 34.71 C +ATOM 22938 OD1 ASP L 137 51.109 115.097 110.941 1.00 33.33 O +ATOM 22939 OD2 ASP L 137 53.212 115.489 110.345 1.00 43.17 O +ATOM 22940 N PHE L 138 49.208 117.829 111.953 1.00 23.00 N +ATOM 22941 CA PHE L 138 48.426 118.612 110.993 1.00 21.34 C +ATOM 22942 C PHE L 138 47.403 119.410 111.787 1.00 21.09 C +ATOM 22943 O PHE L 138 46.482 118.848 112.412 1.00 22.16 O +ATOM 22944 CB PHE L 138 47.771 117.648 109.968 1.00 22.69 C +ATOM 22945 CG PHE L 138 47.300 118.307 108.680 1.00 22.95 C +ATOM 22946 CD1 PHE L 138 46.148 119.055 108.649 1.00 31.56 C +ATOM 22947 CD2 PHE L 138 47.966 118.118 107.502 1.00 25.89 C +ATOM 22948 CE1 PHE L 138 45.714 119.642 107.474 1.00 30.36 C +ATOM 22949 CE2 PHE L 138 47.513 118.684 106.323 1.00 23.49 C +ATOM 22950 CZ PHE L 138 46.405 119.460 106.321 1.00 22.87 C +ATOM 22951 N LEU L 139 47.557 120.721 111.781 1.00 21.20 N +ATOM 22952 CA LEU L 139 46.673 121.596 112.527 1.00 21.71 C +ATOM 22953 C LEU L 139 45.492 121.950 111.653 1.00 20.97 C +ATOM 22954 O LEU L 139 45.670 122.394 110.534 1.00 22.15 O +ATOM 22955 CB LEU L 139 47.420 122.865 113.002 1.00 22.11 C +ATOM 22956 CG LEU L 139 46.574 123.971 113.678 1.00 22.41 C +ATOM 22957 CD1 LEU L 139 46.017 123.526 115.016 1.00 20.72 C +ATOM 22958 CD2 LEU L 139 47.393 125.224 113.813 1.00 22.44 C +ATOM 22959 N ILE L 140 44.291 121.721 112.183 1.00 20.41 N +ATOM 22960 CA ILE L 140 43.037 122.026 111.520 1.00 19.12 C +ATOM 22961 C ILE L 140 42.189 122.919 112.438 1.00 19.32 C +ATOM 22962 O ILE L 140 41.948 122.610 113.624 1.00 19.15 O +ATOM 22963 CB ILE L 140 42.217 120.746 111.169 1.00 20.40 C +ATOM 22964 CG1 ILE L 140 43.071 119.690 110.474 1.00 21.21 C +ATOM 22965 CG2 ILE L 140 41.015 121.107 110.276 1.00 16.79 C +ATOM 22966 CD1 ILE L 140 42.232 118.480 109.927 1.00 17.27 C +ATOM 22967 N ALA L 141 41.773 124.059 111.890 1.00 19.38 N +ATOM 22968 CA ALA L 141 40.885 124.999 112.572 1.00 18.33 C +ATOM 22969 C ALA L 141 39.626 125.108 111.754 1.00 18.06 C +ATOM 22970 O ALA L 141 39.646 124.834 110.560 1.00 19.14 O +ATOM 22971 CB ALA L 141 41.541 126.358 112.678 1.00 16.06 C +ATOM 22972 N ALA L 142 38.570 125.591 112.385 1.00 17.72 N +ATOM 22973 CA ALA L 142 37.246 125.746 111.766 1.00 18.43 C +ATOM 22974 C ALA L 142 36.558 127.029 112.209 1.00 18.93 C +ATOM 22975 O ALA L 142 36.569 127.343 113.394 1.00 19.68 O +ATOM 22976 CB ALA L 142 36.370 124.531 112.118 1.00 17.85 C +ATOM 22977 N ALA L 143 35.995 127.781 111.265 1.00 19.54 N +ATOM 22978 CA ALA L 143 35.229 128.991 111.581 1.00 20.61 C +ATOM 22979 C ALA L 143 34.063 129.158 110.605 1.00 20.77 C +ATOM 22980 O ALA L 143 34.203 128.824 109.433 1.00 20.08 O +ATOM 22981 CB ALA L 143 36.110 130.235 111.547 1.00 21.22 C +ATOM 22982 N ASN L 144 32.919 129.662 111.087 1.00 20.79 N +ATOM 22983 CA ASN L 144 31.882 130.183 110.184 1.00 21.60 C +ATOM 22984 C ASN L 144 32.257 131.641 109.880 1.00 21.20 C +ATOM 22985 O ASN L 144 32.503 132.426 110.814 1.00 21.34 O +ATOM 22986 CB ASN L 144 30.493 130.157 110.828 1.00 23.82 C +ATOM 22987 CG ASN L 144 29.870 128.748 110.927 1.00 28.38 C +ATOM 22988 OD1 ASN L 144 29.806 127.986 109.948 1.00 27.31 O +ATOM 22989 ND2 ASN L 144 29.352 128.424 112.122 1.00 23.93 N +ATOM 22990 N TRP L 145 32.296 132.028 108.605 1.00 20.10 N +ATOM 22991 CA TRP L 145 32.708 133.410 108.244 1.00 20.73 C +ATOM 22992 C TRP L 145 31.746 134.427 108.877 1.00 20.48 C +ATOM 22993 O TRP L 145 32.107 135.536 109.220 1.00 20.53 O +ATOM 22994 CB TRP L 145 32.816 133.592 106.698 1.00 21.68 C +ATOM 22995 CG TRP L 145 31.467 133.677 106.032 1.00 19.94 C +ATOM 22996 CD1 TRP L 145 30.767 132.655 105.464 1.00 19.21 C +ATOM 22997 CD2 TRP L 145 30.650 134.845 105.907 1.00 22.19 C +ATOM 22998 NE1 TRP L 145 29.555 133.114 104.991 1.00 22.62 N +ATOM 22999 CE2 TRP L 145 29.460 134.456 105.256 1.00 18.86 C +ATOM 23000 CE3 TRP L 145 30.812 136.185 106.274 1.00 21.86 C +ATOM 23001 CZ2 TRP L 145 28.437 135.354 104.980 1.00 21.36 C +ATOM 23002 CZ3 TRP L 145 29.794 137.068 106.006 1.00 21.32 C +ATOM 23003 CH2 TRP L 145 28.613 136.647 105.368 1.00 22.78 C +ATOM 23004 N PHE L 146 30.507 134.019 109.056 1.00 21.32 N +ATOM 23005 CA PHE L 146 29.491 134.935 109.506 1.00 21.47 C +ATOM 23006 C PHE L 146 29.481 135.079 111.026 1.00 21.97 C +ATOM 23007 O PHE L 146 28.686 135.859 111.547 1.00 23.81 O +ATOM 23008 CB PHE L 146 28.124 134.523 108.972 1.00 20.34 C +ATOM 23009 CG PHE L 146 27.792 133.108 109.223 1.00 24.11 C +ATOM 23010 CD1 PHE L 146 27.271 132.715 110.443 1.00 24.67 C +ATOM 23011 CD2 PHE L 146 27.999 132.148 108.237 1.00 25.49 C +ATOM 23012 CE1 PHE L 146 26.961 131.387 110.693 1.00 27.47 C +ATOM 23013 CE2 PHE L 146 27.687 130.818 108.476 1.00 25.57 C +ATOM 23014 CZ PHE L 146 27.168 130.431 109.699 1.00 28.14 C +ATOM 23015 N GLU L 147 30.395 134.393 111.724 1.00 21.62 N +ATOM 23016 CA GLU L 147 30.531 134.533 113.168 1.00 21.74 C +ATOM 23017 C GLU L 147 31.822 135.246 113.543 1.00 22.17 C +ATOM 23018 O GLU L 147 32.073 135.463 114.708 1.00 24.16 O +ATOM 23019 CB GLU L 147 30.473 133.163 113.838 1.00 20.13 C +ATOM 23020 CG GLU L 147 29.085 132.480 113.743 1.00 22.63 C +ATOM 23021 CD GLU L 147 29.078 131.018 114.267 1.00 25.89 C +ATOM 23022 OE1 GLU L 147 30.163 130.372 114.379 1.00 28.62 O +ATOM 23023 OE2 GLU L 147 27.970 130.502 114.562 1.00 32.90 O +ATOM 23024 N VAL L 148 32.665 135.592 112.577 1.00 23.50 N +ATOM 23025 CA VAL L 148 33.943 136.272 112.887 1.00 22.44 C +ATOM 23026 C VAL L 148 33.636 137.665 113.549 1.00 24.00 C +ATOM 23027 O VAL L 148 34.233 138.043 114.571 1.00 22.81 O +ATOM 23028 CB VAL L 148 34.850 136.385 111.624 1.00 23.04 C +ATOM 23029 CG1 VAL L 148 36.101 137.168 111.931 1.00 19.20 C +ATOM 23030 CG2 VAL L 148 35.241 134.960 111.059 1.00 21.30 C +ATOM 23031 N VAL L 149 32.680 138.393 112.968 1.00 23.46 N +ATOM 23032 CA VAL L 149 32.287 139.709 113.444 1.00 23.02 C +ATOM 23033 C VAL L 149 30.776 139.692 113.725 1.00 24.52 C +ATOM 23034 O VAL L 149 30.001 139.114 112.974 1.00 24.46 O +ATOM 23035 CB VAL L 149 32.736 140.826 112.423 1.00 24.76 C +ATOM 23036 CG1 VAL L 149 32.154 142.217 112.764 1.00 23.34 C +ATOM 23037 CG2 VAL L 149 34.294 140.875 112.338 1.00 20.51 C +ATOM 23038 N SER L 150 30.382 140.245 114.863 1.00 26.48 N +ATOM 23039 CA SER L 150 28.984 140.411 115.218 1.00 29.33 C +ATOM 23040 C SER L 150 28.290 141.323 114.234 1.00 29.73 C +ATOM 23041 O SER L 150 28.851 142.343 113.847 1.00 29.82 O +ATOM 23042 CB SER L 150 28.872 141.032 116.634 1.00 29.98 C +ATOM 23043 OG SER L 150 27.605 141.615 116.906 1.00 32.35 O +ATOM 23044 N PRO L 151 27.053 140.982 113.860 1.00 31.59 N +ATOM 23045 CA PRO L 151 26.292 141.815 112.941 1.00 32.65 C +ATOM 23046 C PRO L 151 25.801 143.160 113.535 1.00 34.24 C +ATOM 23047 O PRO L 151 25.357 144.020 112.781 1.00 33.71 O +ATOM 23048 CB PRO L 151 25.110 140.925 112.567 1.00 33.18 C +ATOM 23049 CG PRO L 151 24.919 140.020 113.757 1.00 33.28 C +ATOM 23050 CD PRO L 151 26.304 139.779 114.278 1.00 32.19 C +ATOM 23051 N LYS L 152 25.904 143.342 114.862 1.00 33.47 N +ATOM 23052 CA LYS L 152 25.427 144.548 115.554 1.00 30.47 C +ATOM 23053 C LYS L 152 26.101 145.816 115.026 1.00 30.24 C +ATOM 23054 O LYS L 152 27.320 145.944 115.033 1.00 27.07 O +ATOM 23055 CB LYS L 152 25.652 144.449 117.060 1.00 29.46 C +ATOM 23056 CG LYS L 152 24.930 145.537 117.842 1.00 36.12 C +ATOM 23057 CD LYS L 152 25.434 145.718 119.266 1.00 32.20 C +ATOM 23058 CE LYS L 152 24.694 146.893 119.946 1.00 33.96 C +ATOM 23059 NZ LYS L 152 25.162 147.137 121.358 1.00 37.29 N +ATOM 23060 N GLY L 153 25.295 146.760 114.558 1.00 30.09 N +ATOM 23061 CA GLY L 153 25.847 147.994 114.056 1.00 30.54 C +ATOM 23062 C GLY L 153 26.021 147.933 112.557 1.00 30.22 C +ATOM 23063 O GLY L 153 26.139 148.980 111.934 1.00 32.26 O +ATOM 23064 N TYR L 154 25.997 146.734 111.957 1.00 29.14 N +ATOM 23065 CA TYR L 154 26.116 146.634 110.492 1.00 26.55 C +ATOM 23066 C TYR L 154 24.750 146.421 109.765 1.00 25.35 C +ATOM 23067 O TYR L 154 24.562 146.913 108.629 1.00 25.92 O +ATOM 23068 CB TYR L 154 27.132 145.565 110.082 1.00 25.08 C +ATOM 23069 CG TYR L 154 28.545 145.799 110.553 1.00 22.33 C +ATOM 23070 CD1 TYR L 154 29.426 146.564 109.805 1.00 20.20 C +ATOM 23071 CD2 TYR L 154 29.028 145.197 111.730 1.00 23.24 C +ATOM 23072 CE1 TYR L 154 30.738 146.769 110.217 1.00 20.84 C +ATOM 23073 CE2 TYR L 154 30.331 145.412 112.146 1.00 23.30 C +ATOM 23074 CZ TYR L 154 31.183 146.195 111.381 1.00 20.40 C +ATOM 23075 OH TYR L 154 32.476 146.395 111.786 1.00 25.14 O +ATOM 23076 N PHE L 155 23.823 145.712 110.424 1.00 25.67 N +ATOM 23077 CA PHE L 155 22.534 145.334 109.839 1.00 26.93 C +ATOM 23078 C PHE L 155 21.377 145.700 110.779 1.00 29.39 C +ATOM 23079 O PHE L 155 21.549 145.724 111.989 1.00 31.26 O +ATOM 23080 CB PHE L 155 22.546 143.818 109.460 1.00 26.97 C +ATOM 23081 CG PHE L 155 23.724 143.441 108.604 1.00 23.44 C +ATOM 23082 CD1 PHE L 155 23.817 143.902 107.323 1.00 19.85 C +ATOM 23083 CD2 PHE L 155 24.775 142.702 109.124 1.00 24.32 C +ATOM 23084 CE1 PHE L 155 24.923 143.628 106.538 1.00 22.07 C +ATOM 23085 CE2 PHE L 155 25.886 142.421 108.358 1.00 24.77 C +ATOM 23086 CZ PHE L 155 25.969 142.885 107.054 1.00 22.72 C +ATOM 23087 N GLU L 156 20.208 145.978 110.199 1.00 32.05 N +ATOM 23088 CA GLU L 156 19.040 146.442 110.951 1.00 37.30 C +ATOM 23089 C GLU L 156 18.154 145.287 111.397 1.00 34.32 C +ATOM 23090 O GLU L 156 17.786 145.222 112.578 1.00 35.17 O +ATOM 23091 CB GLU L 156 18.202 147.397 110.104 1.00 38.47 C +ATOM 23092 CG GLU L 156 18.951 148.551 109.465 1.00 41.86 C +ATOM 23093 CD GLU L 156 17.993 149.533 108.786 1.00 46.82 C +ATOM 23094 OE1 GLU L 156 16.957 149.881 109.420 1.00 63.45 O +ATOM 23095 OE2 GLU L 156 18.257 149.938 107.622 1.00 56.35 O +ATOM 23096 N ALA L 157 17.823 144.383 110.457 1.00 35.35 N +ATOM 23097 CA ALA L 157 16.951 143.224 110.718 1.00 34.82 C +ATOM 23098 C ALA L 157 17.441 142.517 111.960 1.00 35.89 C +ATOM 23099 O ALA L 157 18.659 142.357 112.156 1.00 35.59 O +ATOM 23100 CB ALA L 157 16.928 142.273 109.524 1.00 34.86 C +ATOM 23101 N GLU L 158 16.494 142.154 112.824 1.00 37.86 N +ATOM 23102 CA GLU L 158 16.796 141.495 114.093 1.00 41.23 C +ATOM 23103 C GLU L 158 16.947 139.987 113.865 1.00 38.11 C +ATOM 23104 O GLU L 158 17.898 139.377 114.369 1.00 38.18 O +ATOM 23105 CB GLU L 158 15.703 141.799 115.131 1.00 43.29 C +ATOM 23106 CG GLU L 158 15.903 141.194 116.534 1.00 53.71 C +ATOM 23107 CD GLU L 158 14.583 141.171 117.339 1.00 53.55 C +ATOM 23108 OE1 GLU L 158 14.060 142.279 117.663 1.00 67.53 O +ATOM 23109 OE2 GLU L 158 14.076 140.047 117.628 1.00 63.87 O +ATOM 23110 N ILE L 159 15.993 139.392 113.140 1.00 35.68 N +ATOM 23111 CA ILE L 159 16.092 137.985 112.762 1.00 34.10 C +ATOM 23112 C ILE L 159 16.826 137.937 111.422 1.00 32.70 C +ATOM 23113 O ILE L 159 16.496 138.642 110.457 1.00 31.11 O +ATOM 23114 CB ILE L 159 14.743 137.262 112.734 1.00 34.12 C +ATOM 23115 CG1 ILE L 159 13.983 137.501 114.052 1.00 36.81 C +ATOM 23116 CG2 ILE L 159 14.969 135.775 112.574 1.00 31.40 C +ATOM 23117 CD1 ILE L 159 12.523 137.021 114.050 1.00 36.48 C +ATOM 23118 N ASP L 160 17.882 137.139 111.399 1.00 31.49 N +ATOM 23119 CA ASP L 160 18.743 137.044 110.241 1.00 32.51 C +ATOM 23120 C ASP L 160 19.515 135.732 110.341 1.00 32.00 C +ATOM 23121 O ASP L 160 20.696 135.734 110.617 1.00 32.98 O +ATOM 23122 CB ASP L 160 19.690 138.258 110.215 1.00 32.91 C +ATOM 23123 CG ASP L 160 20.497 138.357 108.923 1.00 37.16 C +ATOM 23124 OD1 ASP L 160 20.472 137.387 108.125 1.00 40.08 O +ATOM 23125 OD2 ASP L 160 21.150 139.411 108.714 1.00 41.50 O +ATOM 23126 N ASP L 161 18.842 134.608 110.108 1.00 31.68 N +ATOM 23127 CA ASP L 161 19.499 133.300 110.226 1.00 30.92 C +ATOM 23128 C ASP L 161 19.885 132.670 108.889 1.00 29.65 C +ATOM 23129 O ASP L 161 20.896 131.997 108.798 1.00 30.45 O +ATOM 23130 CB ASP L 161 18.633 132.326 111.029 1.00 33.18 C +ATOM 23131 CG ASP L 161 18.509 132.739 112.514 1.00 40.02 C +ATOM 23132 OD1 ASP L 161 19.555 133.082 113.133 1.00 46.91 O +ATOM 23133 OD2 ASP L 161 17.369 132.709 113.048 1.00 47.22 O +ATOM 23134 N HIS L 162 19.106 132.904 107.842 1.00 26.63 N +ATOM 23135 CA HIS L 162 19.431 132.310 106.565 1.00 24.10 C +ATOM 23136 C HIS L 162 18.851 133.112 105.415 1.00 22.28 C +ATOM 23137 O HIS L 162 17.638 133.328 105.367 1.00 21.55 O +ATOM 23138 CB HIS L 162 18.952 130.848 106.585 1.00 25.87 C +ATOM 23139 CG HIS L 162 18.880 130.202 105.240 1.00 25.38 C +ATOM 23140 ND1 HIS L 162 19.983 129.695 104.596 1.00 24.84 N +ATOM 23141 CD2 HIS L 162 17.823 129.960 104.429 1.00 24.58 C +ATOM 23142 CE1 HIS L 162 19.611 129.186 103.437 1.00 27.59 C +ATOM 23143 NE2 HIS L 162 18.305 129.320 103.318 1.00 18.40 N +ATOM 23144 N ALA L 163 19.726 133.538 104.500 1.00 21.23 N +ATOM 23145 CA ALA L 163 19.350 134.339 103.306 1.00 21.94 C +ATOM 23146 C ALA L 163 18.704 135.676 103.704 1.00 23.55 C +ATOM 23147 O ALA L 163 17.875 136.221 102.965 1.00 23.72 O +ATOM 23148 CB ALA L 163 18.419 133.555 102.384 1.00 20.82 C +ATOM 23149 N GLY L 164 19.090 136.187 104.876 1.00 23.93 N +ATOM 23150 CA GLY L 164 18.576 137.460 105.413 1.00 24.00 C +ATOM 23151 C GLY L 164 19.456 138.630 104.977 1.00 23.39 C +ATOM 23152 O GLY L 164 20.132 138.576 103.934 1.00 23.97 O +ATOM 23153 N GLU L 165 19.472 139.681 105.791 1.00 23.04 N +ATOM 23154 CA GLU L 165 20.046 140.971 105.383 1.00 22.78 C +ATOM 23155 C GLU L 165 21.568 140.897 105.224 1.00 22.62 C +ATOM 23156 O GLU L 165 22.150 141.509 104.306 1.00 23.31 O +ATOM 23157 CB GLU L 165 19.672 142.037 106.427 1.00 23.21 C +ATOM 23158 CG GLU L 165 20.006 143.459 106.042 1.00 25.48 C +ATOM 23159 CD GLU L 165 19.547 144.490 107.079 1.00 26.46 C +ATOM 23160 OE1 GLU L 165 18.487 144.306 107.751 1.00 28.06 O +ATOM 23161 OE2 GLU L 165 20.264 145.492 107.223 1.00 30.09 O +ATOM 23162 N SER L 166 22.215 140.140 106.112 1.00 22.79 N +ATOM 23163 CA SER L 166 23.675 140.017 106.079 1.00 23.11 C +ATOM 23164 C SER L 166 24.171 139.234 104.875 1.00 22.94 C +ATOM 23165 O SER L 166 25.030 139.728 104.148 1.00 24.87 O +ATOM 23166 CB SER L 166 24.219 139.408 107.363 1.00 22.10 C +ATOM 23167 OG SER L 166 23.505 138.241 107.712 1.00 31.60 O +ATOM 23168 N GLU L 167 23.669 138.013 104.665 1.00 23.70 N +ATOM 23169 CA GLU L 167 24.046 137.257 103.466 1.00 22.59 C +ATOM 23170 C GLU L 167 23.681 137.991 102.181 1.00 21.01 C +ATOM 23171 O GLU L 167 24.471 138.024 101.238 1.00 20.78 O +ATOM 23172 CB GLU L 167 23.387 135.891 103.436 1.00 22.75 C +ATOM 23173 CG GLU L 167 24.215 134.827 104.041 1.00 22.75 C +ATOM 23174 CD GLU L 167 23.654 133.470 103.807 1.00 25.29 C +ATOM 23175 OE1 GLU L 167 22.410 133.303 103.947 1.00 26.70 O +ATOM 23176 OE2 GLU L 167 24.469 132.552 103.535 1.00 23.53 O +ATOM 23177 N THR L 168 22.471 138.556 102.132 1.00 20.58 N +ATOM 23178 CA THR L 168 22.054 139.298 100.938 1.00 20.61 C +ATOM 23179 C THR L 168 22.974 140.480 100.645 1.00 20.29 C +ATOM 23180 O THR L 168 23.388 140.678 99.519 1.00 21.96 O +ATOM 23181 CB THR L 168 20.596 139.797 101.034 1.00 22.39 C +ATOM 23182 OG1 THR L 168 19.726 138.683 101.260 1.00 20.89 O +ATOM 23183 CG2 THR L 168 20.203 140.467 99.748 1.00 19.33 C +ATOM 23184 N SER L 169 23.325 141.222 101.688 1.00 20.94 N +ATOM 23185 CA SER L 169 24.172 142.396 101.577 1.00 20.50 C +ATOM 23186 C SER L 169 25.551 142.022 101.097 1.00 21.10 C +ATOM 23187 O SER L 169 26.096 142.657 100.188 1.00 20.50 O +ATOM 23188 CB SER L 169 24.280 143.099 102.923 1.00 22.00 C +ATOM 23189 OG SER L 169 23.033 143.641 103.331 1.00 22.27 O +ATOM 23190 N VAL L 170 26.115 140.965 101.691 1.00 21.47 N +ATOM 23191 CA VAL L 170 27.457 140.503 101.301 1.00 19.77 C +ATOM 23192 C VAL L 170 27.477 139.978 99.847 1.00 20.28 C +ATOM 23193 O VAL L 170 28.411 140.254 99.112 1.00 22.61 O +ATOM 23194 CB VAL L 170 27.992 139.459 102.296 1.00 20.19 C +ATOM 23195 CG1 VAL L 170 29.424 138.987 101.903 1.00 20.75 C +ATOM 23196 CG2 VAL L 170 27.977 140.038 103.727 1.00 19.64 C +HETATM23197 N MSE L 171 26.445 139.235 99.439 1.00 19.73 N +HETATM23198 CA MSE L 171 26.325 138.808 98.041 1.00 20.54 C +HETATM23199 C MSE L 171 26.176 140.018 97.072 1.00 21.08 C +HETATM23200 O MSE L 171 26.773 140.026 96.006 1.00 21.57 O +HETATM23201 CB MSE L 171 25.146 137.819 97.879 1.00 21.34 C +HETATM23202 CG MSE L 171 25.006 137.202 96.477 1.00 21.35 C +HETATM23203 SE MSE L 171 26.600 136.164 95.944 0.75 20.13 SE +HETATM23204 CE MSE L 171 26.204 134.755 97.143 1.00 18.28 C +HETATM23205 N MSE L 172 25.390 141.025 97.449 1.00 21.80 N +HETATM23206 CA MSE L 172 25.211 142.248 96.618 1.00 22.05 C +HETATM23207 C MSE L 172 26.537 142.970 96.443 1.00 22.50 C +HETATM23208 O MSE L 172 26.814 143.462 95.361 1.00 23.20 O +HETATM23209 CB MSE L 172 24.157 143.187 97.206 1.00 22.14 C +HETATM23210 CG MSE L 172 22.734 142.693 97.054 1.00 22.56 C +HETATM23211 SE MSE L 172 21.452 143.713 98.110 0.75 24.74 SE +HETATM23212 CE MSE L 172 21.103 145.233 96.908 1.00 22.55 C +ATOM 23213 N HIS L 173 27.362 142.975 97.500 1.00 21.95 N +ATOM 23214 CA HIS L 173 28.734 143.501 97.411 1.00 21.55 C +ATOM 23215 C HIS L 173 29.579 142.689 96.439 1.00 22.87 C +ATOM 23216 O HIS L 173 30.033 143.194 95.429 1.00 22.67 O +ATOM 23217 CB HIS L 173 29.406 143.545 98.785 1.00 21.93 C +ATOM 23218 CG HIS L 173 30.888 143.801 98.723 1.00 24.27 C +ATOM 23219 ND1 HIS L 173 31.430 144.901 98.090 1.00 22.41 N +ATOM 23220 CD2 HIS L 173 31.937 143.087 99.202 1.00 22.93 C +ATOM 23221 CE1 HIS L 173 32.749 144.857 98.195 1.00 28.98 C +ATOM 23222 NE2 HIS L 173 33.084 143.772 98.876 1.00 24.81 N +ATOM 23223 N TYR L 174 29.779 141.405 96.727 1.00 22.70 N +ATOM 23224 CA TYR L 174 30.670 140.595 95.897 1.00 21.23 C +ATOM 23225 C TYR L 174 30.129 140.232 94.504 1.00 20.98 C +ATOM 23226 O TYR L 174 30.875 140.259 93.533 1.00 19.35 O +ATOM 23227 CB TYR L 174 31.022 139.312 96.631 1.00 22.13 C +ATOM 23228 CG TYR L 174 32.031 139.492 97.737 1.00 21.56 C +ATOM 23229 CD1 TYR L 174 33.296 140.027 97.475 1.00 22.35 C +ATOM 23230 CD2 TYR L 174 31.753 139.078 99.026 1.00 21.71 C +ATOM 23231 CE1 TYR L 174 34.227 140.173 98.486 1.00 21.23 C +ATOM 23232 CE2 TYR L 174 32.698 139.196 100.030 1.00 22.71 C +ATOM 23233 CZ TYR L 174 33.929 139.753 99.757 1.00 21.79 C +ATOM 23234 OH TYR L 174 34.881 139.848 100.792 1.00 23.68 O +ATOM 23235 N HIS L 175 28.854 139.833 94.413 1.00 21.88 N +ATOM 23236 CA HIS L 175 28.297 139.437 93.137 1.00 22.64 C +ATOM 23237 C HIS L 175 26.924 140.037 92.931 1.00 23.29 C +ATOM 23238 O HIS L 175 25.905 139.335 93.064 1.00 23.56 O +ATOM 23239 CB HIS L 175 28.269 137.891 93.025 1.00 25.38 C +ATOM 23240 CG HIS L 175 29.635 137.285 92.966 1.00 24.55 C +ATOM 23241 ND1 HIS L 175 30.323 137.114 91.781 1.00 25.31 N +ATOM 23242 CD2 HIS L 175 30.459 136.851 93.950 1.00 24.05 C +ATOM 23243 CE1 HIS L 175 31.509 136.594 92.039 1.00 26.56 C +ATOM 23244 NE2 HIS L 175 31.618 136.432 93.345 1.00 23.64 N +ATOM 23245 N PRO L 176 26.872 141.339 92.600 1.00 25.14 N +ATOM 23246 CA PRO L 176 25.534 141.954 92.447 1.00 25.90 C +ATOM 23247 C PRO L 176 24.717 141.333 91.294 1.00 25.81 C +ATOM 23248 O PRO L 176 23.492 141.269 91.371 1.00 27.33 O +ATOM 23249 CB PRO L 176 25.845 143.435 92.213 1.00 24.96 C +ATOM 23250 CG PRO L 176 27.265 143.451 91.686 1.00 25.31 C +ATOM 23251 CD PRO L 176 27.965 142.298 92.373 1.00 23.48 C +ATOM 23252 N GLU L 177 25.388 140.844 90.259 1.00 27.22 N +ATOM 23253 CA GLU L 177 24.710 140.186 89.132 1.00 27.52 C +ATOM 23254 C GLU L 177 23.967 138.911 89.492 1.00 27.44 C +ATOM 23255 O GLU L 177 23.106 138.444 88.723 1.00 27.23 O +ATOM 23256 CB GLU L 177 25.696 139.850 88.010 1.00 28.90 C +ATOM 23257 CG GLU L 177 26.627 138.629 88.256 1.00 33.09 C +ATOM 23258 CD GLU L 177 27.747 138.916 89.250 1.00 35.57 C +ATOM 23259 OE1 GLU L 177 27.828 140.081 89.721 1.00 29.68 O +ATOM 23260 OE2 GLU L 177 28.521 137.977 89.561 1.00 34.98 O +ATOM 23261 N LEU L 178 24.308 138.306 90.626 1.00 26.53 N +ATOM 23262 CA LEU L 178 23.733 137.018 90.998 1.00 25.53 C +ATOM 23263 C LEU L 178 22.535 137.175 91.928 1.00 26.75 C +ATOM 23264 O LEU L 178 21.884 136.178 92.281 1.00 28.57 O +ATOM 23265 CB LEU L 178 24.799 136.125 91.644 1.00 23.37 C +ATOM 23266 CG LEU L 178 25.937 135.614 90.791 1.00 24.75 C +ATOM 23267 CD1 LEU L 178 26.833 134.680 91.638 1.00 23.90 C +ATOM 23268 CD2 LEU L 178 25.450 134.898 89.539 1.00 27.23 C +ATOM 23269 N VAL L 179 22.223 138.409 92.321 1.00 26.76 N +ATOM 23270 CA VAL L 179 21.131 138.626 93.256 1.00 27.01 C +ATOM 23271 C VAL L 179 20.254 139.794 92.803 1.00 28.29 C +ATOM 23272 O VAL L 179 20.766 140.879 92.505 1.00 28.84 O +ATOM 23273 CB VAL L 179 21.641 138.785 94.741 1.00 28.47 C +ATOM 23274 CG1 VAL L 179 22.787 139.820 94.874 1.00 26.06 C +ATOM 23275 CG2 VAL L 179 20.471 139.114 95.687 1.00 28.63 C +ATOM 23276 N ASN L 180 18.953 139.528 92.670 1.00 29.46 N +ATOM 23277 CA ASN L 180 17.916 140.577 92.453 1.00 32.05 C +ATOM 23278 C ASN L 180 17.070 140.680 93.720 1.00 27.67 C +ATOM 23279 O ASN L 180 16.288 139.781 94.004 1.00 26.98 O +ATOM 23280 CB ASN L 180 17.000 140.255 91.262 1.00 31.94 C +ATOM 23281 CG ASN L 180 17.736 140.248 89.907 1.00 43.03 C +ATOM 23282 OD1 ASN L 180 17.242 139.677 88.936 1.00 59.98 O +ATOM 23283 ND2 ASN L 180 18.903 140.877 89.841 1.00 48.92 N +ATOM 23284 N LEU L 181 17.250 141.761 94.490 1.00 27.20 N +ATOM 23285 CA LEU L 181 16.627 141.865 95.806 1.00 27.20 C +ATOM 23286 C LEU L 181 15.108 141.955 95.700 1.00 27.44 C +ATOM 23287 O LEU L 181 14.392 141.527 96.624 1.00 26.64 O +ATOM 23288 CB LEU L 181 17.198 143.047 96.604 1.00 28.42 C +ATOM 23289 CG LEU L 181 16.608 143.376 97.977 1.00 28.17 C +ATOM 23290 CD1 LEU L 181 16.598 142.141 98.839 1.00 26.75 C +ATOM 23291 CD2 LEU L 181 17.392 144.518 98.664 1.00 25.73 C +ATOM 23292 N ALA L 182 14.628 142.484 94.567 1.00 28.38 N +ATOM 23293 CA ALA L 182 13.192 142.664 94.298 1.00 28.89 C +ATOM 23294 C ALA L 182 12.392 141.361 94.339 1.00 30.22 C +ATOM 23295 O ALA L 182 11.175 141.357 94.605 1.00 30.64 O +ATOM 23296 CB ALA L 182 13.024 143.312 92.936 1.00 30.36 C +ATOM 23297 N GLU L 183 13.072 140.259 94.029 1.00 30.93 N +ATOM 23298 CA GLU L 183 12.468 138.934 94.002 1.00 31.48 C +ATOM 23299 C GLU L 183 12.343 138.290 95.380 1.00 28.33 C +ATOM 23300 O GLU L 183 11.684 137.252 95.508 1.00 27.93 O +ATOM 23301 CB GLU L 183 13.325 138.002 93.121 1.00 31.87 C +ATOM 23302 CG GLU L 183 13.296 138.335 91.611 1.00 35.90 C +ATOM 23303 CD GLU L 183 14.471 137.698 90.837 1.00 39.51 C +ATOM 23304 OE1 GLU L 183 15.103 136.731 91.352 1.00 43.04 O +ATOM 23305 OE2 GLU L 183 14.771 138.191 89.719 1.00 44.61 O +ATOM 23306 N ALA L 184 13.000 138.864 96.398 1.00 26.84 N +ATOM 23307 CA ALA L 184 13.048 138.248 97.734 1.00 25.66 C +ATOM 23308 C ALA L 184 11.652 138.165 98.355 1.00 26.46 C +ATOM 23309 O ALA L 184 10.827 139.040 98.143 1.00 27.64 O +ATOM 23310 CB ALA L 184 13.967 139.038 98.625 1.00 23.63 C +ATOM 23311 N GLY L 185 11.359 137.094 99.078 1.00 26.06 N +ATOM 23312 CA GLY L 185 10.186 137.035 99.968 1.00 24.50 C +ATOM 23313 C GLY L 185 10.619 137.615 101.326 1.00 25.41 C +ATOM 23314 O GLY L 185 11.818 137.919 101.531 1.00 24.85 O +ATOM 23315 N ASP L 186 9.673 137.745 102.255 1.00 26.34 N +ATOM 23316 CA AASP L 186 9.933 138.379 103.555 0.50 28.73 C +ATOM 23317 CA BASP L 186 9.927 138.387 103.559 0.50 27.52 C +ATOM 23318 C ASP L 186 10.754 137.525 104.530 1.00 27.43 C +ATOM 23319 O ASP L 186 11.184 138.020 105.566 1.00 27.37 O +ATOM 23320 CB AASP L 186 8.611 138.789 104.237 0.50 29.96 C +ATOM 23321 CB BASP L 186 8.596 138.767 104.255 0.50 27.76 C +ATOM 23322 CG AASP L 186 7.657 137.613 104.464 0.50 36.40 C +ATOM 23323 CG BASP L 186 7.988 140.069 103.731 0.50 27.72 C +ATOM 23324 OD1AASP L 186 8.078 136.427 104.393 0.50 41.02 O +ATOM 23325 OD1BASP L 186 8.718 140.901 103.153 0.50 24.82 O +ATOM 23326 OD2AASP L 186 6.457 137.890 104.709 0.50 47.12 O +ATOM 23327 OD2BASP L 186 6.764 140.262 103.917 0.50 31.87 O +ATOM 23328 N GLY L 187 10.943 136.241 104.220 1.00 27.33 N +ATOM 23329 CA GLY L 187 11.638 135.310 105.124 1.00 26.85 C +ATOM 23330 C GLY L 187 10.957 135.116 106.481 1.00 27.20 C +ATOM 23331 O GLY L 187 11.634 135.035 107.520 1.00 25.62 O +ATOM 23332 N GLU L 188 9.621 135.036 106.495 1.00 28.15 N +ATOM 23333 CA GLU L 188 8.901 134.829 107.762 1.00 30.62 C +ATOM 23334 C GLU L 188 9.209 133.424 108.240 1.00 30.71 C +ATOM 23335 O GLU L 188 9.159 132.475 107.447 1.00 30.50 O +ATOM 23336 CB GLU L 188 7.368 134.969 107.623 1.00 31.46 C +ATOM 23337 N SER L 189 9.500 133.308 109.536 1.00 31.96 N +ATOM 23338 CA SER L 189 9.764 132.028 110.216 1.00 33.01 C +ATOM 23339 C SER L 189 8.745 131.772 111.349 1.00 33.88 C +ATOM 23340 O SER L 189 8.265 132.719 111.986 1.00 34.85 O +ATOM 23341 CB SER L 189 11.180 132.031 110.794 1.00 35.24 C +ATOM 23342 OG SER L 189 11.383 133.180 111.631 1.00 39.45 O +ATOM 23343 N LYS L 190 8.397 130.501 111.573 1.00 32.58 N +ATOM 23344 CA LYS L 190 7.523 130.099 112.673 1.00 34.30 C +ATOM 23345 C LYS L 190 8.337 129.291 113.688 1.00 32.23 C +ATOM 23346 O LYS L 190 9.165 128.444 113.314 1.00 31.06 O +ATOM 23347 CB LYS L 190 6.382 129.231 112.195 1.00 34.85 C +ATOM 23348 CG LYS L 190 5.400 129.905 111.273 1.00 42.42 C +ATOM 23349 CD LYS L 190 4.198 128.945 111.049 1.00 47.75 C +ATOM 23350 CE LYS L 190 3.132 129.531 110.108 1.00 54.95 C +ATOM 23351 NZ LYS L 190 1.941 128.607 109.937 1.00 55.22 N +ATOM 23352 N PRO L 191 8.088 129.523 114.985 1.00 31.15 N +ATOM 23353 CA PRO L 191 8.904 128.835 115.981 1.00 29.92 C +ATOM 23354 C PRO L 191 8.307 127.440 116.295 1.00 27.35 C +ATOM 23355 O PRO L 191 7.297 127.053 115.709 1.00 26.78 O +ATOM 23356 CB PRO L 191 8.824 129.784 117.177 1.00 32.70 C +ATOM 23357 CG PRO L 191 7.367 130.359 117.067 1.00 34.16 C +ATOM 23358 CD PRO L 191 7.061 130.396 115.596 1.00 31.30 C +ATOM 23359 N PHE L 192 8.926 126.709 117.214 1.00 26.72 N +ATOM 23360 CA PHE L 192 8.395 125.437 117.676 1.00 25.60 C +ATOM 23361 C PHE L 192 7.162 125.645 118.587 1.00 26.34 C +ATOM 23362 O PHE L 192 6.981 126.729 119.177 1.00 26.24 O +ATOM 23363 CB PHE L 192 9.459 124.657 118.456 1.00 26.36 C +ATOM 23364 CG PHE L 192 10.760 124.390 117.708 1.00 22.76 C +ATOM 23365 CD1 PHE L 192 10.806 123.533 116.620 1.00 25.65 C +ATOM 23366 CD2 PHE L 192 11.954 124.917 118.173 1.00 24.89 C +ATOM 23367 CE1 PHE L 192 12.029 123.250 115.971 1.00 25.05 C +ATOM 23368 CE2 PHE L 192 13.178 124.646 117.540 1.00 25.91 C +ATOM 23369 CZ PHE L 192 13.209 123.811 116.427 1.00 26.55 C +ATOM 23370 N ALA L 193 6.328 124.601 118.706 1.00 26.21 N +ATOM 23371 CA ALA L 193 5.230 124.543 119.676 1.00 27.35 C +ATOM 23372 C ALA L 193 5.723 124.085 121.086 1.00 28.38 C +ATOM 23373 O ALA L 193 4.988 124.161 122.078 1.00 29.73 O +ATOM 23374 CB ALA L 193 4.124 123.609 119.173 1.00 26.04 C +ATOM 23375 N ILE L 194 6.966 123.612 121.161 1.00 28.02 N +ATOM 23376 CA ILE L 194 7.590 123.237 122.428 1.00 25.53 C +ATOM 23377 C ILE L 194 8.377 124.475 122.913 1.00 26.34 C +ATOM 23378 O ILE L 194 9.440 124.821 122.361 1.00 26.87 O +ATOM 23379 CB ILE L 194 8.472 121.927 122.258 1.00 27.11 C +ATOM 23380 CG1 ILE L 194 7.570 120.746 121.888 1.00 22.06 C +ATOM 23381 CG2 ILE L 194 9.284 121.613 123.535 1.00 21.78 C +ATOM 23382 CD1 ILE L 194 8.257 119.601 121.229 1.00 23.97 C +ATOM 23383 N ALA L 195 7.827 125.173 123.919 1.00 25.89 N +ATOM 23384 CA ALA L 195 8.409 126.434 124.428 1.00 25.11 C +ATOM 23385 C ALA L 195 9.889 126.336 124.771 1.00 24.70 C +ATOM 23386 O ALA L 195 10.688 127.197 124.376 1.00 25.77 O +ATOM 23387 CB ALA L 195 7.622 126.892 125.656 1.00 26.98 C +ATOM 23388 N SER L 196 10.251 125.306 125.547 1.00 24.63 N +ATOM 23389 CA SER L 196 11.637 125.109 126.012 1.00 23.80 C +ATOM 23390 C SER L 196 12.661 125.016 124.867 1.00 23.74 C +ATOM 23391 O SER L 196 13.815 125.416 125.027 1.00 23.77 O +ATOM 23392 CB SER L 196 11.736 123.831 126.847 1.00 25.80 C +ATOM 23393 OG SER L 196 10.980 123.897 128.031 1.00 26.33 O +ATOM 23394 N LEU L 197 12.232 124.514 123.706 1.00 23.83 N +ATOM 23395 CA LEU L 197 13.077 124.485 122.522 1.00 24.32 C +ATOM 23396 C LEU L 197 13.302 125.870 121.943 1.00 25.27 C +ATOM 23397 O LEU L 197 14.413 126.185 121.499 1.00 26.00 O +ATOM 23398 CB LEU L 197 12.497 123.562 121.467 1.00 25.15 C +ATOM 23399 CG LEU L 197 12.550 122.051 121.739 1.00 26.13 C +ATOM 23400 CD1 LEU L 197 12.055 121.356 120.530 1.00 23.91 C +ATOM 23401 CD2 LEU L 197 13.971 121.574 122.126 1.00 21.06 C +ATOM 23402 N ASN L 198 12.265 126.704 121.956 1.00 26.74 N +ATOM 23403 CA ASN L 198 12.421 128.114 121.560 1.00 27.53 C +ATOM 23404 C ASN L 198 13.315 128.891 122.556 1.00 27.77 C +ATOM 23405 O ASN L 198 14.050 129.814 122.177 1.00 27.79 O +ATOM 23406 CB ASN L 198 11.046 128.795 121.421 1.00 28.69 C +ATOM 23407 CG ASN L 198 10.199 128.182 120.340 1.00 28.15 C +ATOM 23408 OD1 ASN L 198 10.719 127.820 119.271 1.00 30.94 O +ATOM 23409 ND2 ASN L 198 8.882 128.050 120.599 1.00 26.07 N +ATOM 23410 N GLU L 199 13.268 128.476 123.825 1.00 29.00 N +ATOM 23411 CA GLU L 199 14.096 129.050 124.894 1.00 31.00 C +ATOM 23412 C GLU L 199 15.498 128.471 124.891 1.00 30.06 C +ATOM 23413 O GLU L 199 16.337 128.873 125.702 1.00 29.97 O +ATOM 23414 CB GLU L 199 13.463 128.784 126.273 1.00 31.80 C +ATOM 23415 CG GLU L 199 12.045 129.347 126.516 1.00 35.30 C +ATOM 23416 CD GLU L 199 11.376 128.722 127.762 1.00 40.22 C +ATOM 23417 OE1 GLU L 199 12.114 128.382 128.734 1.00 49.40 O +ATOM 23418 OE2 GLU L 199 10.125 128.567 127.768 1.00 54.53 O +ATOM 23419 N LYS L 200 15.748 127.512 124.000 1.00 30.13 N +ATOM 23420 CA LYS L 200 17.075 126.885 123.815 1.00 29.95 C +ATOM 23421 C LYS L 200 17.535 126.033 124.991 1.00 27.46 C +ATOM 23422 O LYS L 200 18.708 125.867 125.214 1.00 28.07 O +ATOM 23423 CB LYS L 200 18.133 127.921 123.421 1.00 30.73 C +ATOM 23424 CG LYS L 200 17.794 128.605 122.090 1.00 36.50 C +ATOM 23425 CD LYS L 200 18.940 129.462 121.622 1.00 43.30 C +ATOM 23426 CE LYS L 200 18.535 130.454 120.549 1.00 50.26 C +ATOM 23427 NZ LYS L 200 19.640 131.458 120.377 1.00 54.99 N +ATOM 23428 N VAL L 201 16.595 125.465 125.722 1.00 25.30 N +ATOM 23429 CA VAL L 201 16.929 124.507 126.789 1.00 24.53 C +ATOM 23430 C VAL L 201 17.564 123.263 126.165 1.00 23.91 C +ATOM 23431 O VAL L 201 18.512 122.698 126.726 1.00 23.57 O +ATOM 23432 CB VAL L 201 15.708 124.157 127.619 1.00 23.87 C +ATOM 23433 CG1 VAL L 201 16.064 123.114 128.677 1.00 22.65 C +ATOM 23434 CG2 VAL L 201 15.132 125.461 128.259 1.00 20.13 C +ATOM 23435 N ALA L 202 17.060 122.861 124.996 1.00 22.80 N +ATOM 23436 CA ALA L 202 17.662 121.800 124.182 1.00 21.25 C +ATOM 23437 C ALA L 202 17.547 122.188 122.718 1.00 22.31 C +ATOM 23438 O ALA L 202 16.719 123.033 122.359 1.00 22.61 O +ATOM 23439 CB ALA L 202 16.952 120.449 124.406 1.00 20.33 C +ATOM 23440 N TRP L 203 18.351 121.526 121.882 1.00 22.38 N +ATOM 23441 CA TRP L 203 18.408 121.763 120.445 1.00 21.01 C +ATOM 23442 C TRP L 203 17.665 120.667 119.662 1.00 20.50 C +ATOM 23443 O TRP L 203 17.865 119.471 119.913 1.00 19.14 O +ATOM 23444 CB TRP L 203 19.893 121.845 119.993 1.00 20.42 C +ATOM 23445 CG TRP L 203 20.040 122.136 118.537 1.00 20.84 C +ATOM 23446 CD1 TRP L 203 20.088 123.370 117.929 1.00 24.16 C +ATOM 23447 CD2 TRP L 203 20.105 121.168 117.481 1.00 22.97 C +ATOM 23448 NE1 TRP L 203 20.199 123.216 116.567 1.00 25.28 N +ATOM 23449 CE2 TRP L 203 20.212 121.880 116.266 1.00 21.69 C +ATOM 23450 CE3 TRP L 203 20.104 119.770 117.452 1.00 21.85 C +ATOM 23451 CZ2 TRP L 203 20.318 121.243 115.041 1.00 25.97 C +ATOM 23452 CZ3 TRP L 203 20.197 119.136 116.230 1.00 23.71 C +ATOM 23453 CH2 TRP L 203 20.295 119.863 115.044 1.00 25.64 C +ATOM 23454 N VAL L 204 16.773 121.099 118.763 1.00 20.07 N +ATOM 23455 CA VAL L 204 16.165 120.266 117.695 1.00 20.61 C +ATOM 23456 C VAL L 204 16.404 121.038 116.374 1.00 22.24 C +ATOM 23457 O VAL L 204 16.419 122.300 116.364 1.00 22.13 O +ATOM 23458 CB VAL L 204 14.634 120.058 117.909 1.00 21.55 C +ATOM 23459 CG1 VAL L 204 13.955 119.412 116.677 1.00 21.15 C +ATOM 23460 CG2 VAL L 204 14.353 119.216 119.153 1.00 22.01 C +ATOM 23461 N PRO L 205 16.637 120.319 115.264 1.00 21.46 N +ATOM 23462 CA PRO L 205 16.700 121.100 114.035 1.00 22.73 C +ATOM 23463 C PRO L 205 15.331 121.682 113.641 1.00 22.99 C +ATOM 23464 O PRO L 205 14.278 121.009 113.803 1.00 23.39 O +ATOM 23465 CB PRO L 205 17.157 120.067 112.998 1.00 22.75 C +ATOM 23466 CG PRO L 205 16.649 118.799 113.525 1.00 23.18 C +ATOM 23467 CD PRO L 205 16.864 118.891 115.010 1.00 22.07 C +ATOM 23468 N ARG L 206 15.370 122.918 113.154 1.00 23.35 N +ATOM 23469 CA ARG L 206 14.229 123.578 112.553 1.00 25.40 C +ATOM 23470 C ARG L 206 13.732 122.758 111.344 1.00 22.96 C +ATOM 23471 O ARG L 206 14.536 122.286 110.539 1.00 22.06 O +ATOM 23472 CB ARG L 206 14.682 124.978 112.116 1.00 26.81 C +ATOM 23473 CG ARG L 206 13.610 125.891 111.576 1.00 31.92 C +ATOM 23474 CD ARG L 206 14.207 127.036 110.739 1.00 33.43 C +ATOM 23475 NE ARG L 206 15.114 127.899 111.488 1.00 42.62 N +ATOM 23476 CZ ARG L 206 14.737 128.890 112.298 1.00 48.92 C +ATOM 23477 NH1 ARG L 206 13.437 129.174 112.501 1.00 47.65 N +ATOM 23478 NH2 ARG L 206 15.675 129.613 112.909 1.00 48.15 N +ATOM 23479 N HIS L 207 12.416 122.578 111.227 1.00 23.03 N +ATOM 23480 CA HIS L 207 11.829 121.916 110.062 1.00 22.73 C +ATOM 23481 C HIS L 207 11.440 122.999 109.078 1.00 24.16 C +ATOM 23482 O HIS L 207 10.579 123.842 109.365 1.00 23.80 O +ATOM 23483 CB HIS L 207 10.611 121.068 110.462 1.00 22.67 C +ATOM 23484 CG HIS L 207 10.964 119.824 111.230 1.00 24.95 C +ATOM 23485 ND1 HIS L 207 10.277 118.635 111.081 1.00 29.12 N +ATOM 23486 CD2 HIS L 207 11.965 119.566 112.108 1.00 23.67 C +ATOM 23487 CE1 HIS L 207 10.815 117.708 111.856 1.00 24.80 C +ATOM 23488 NE2 HIS L 207 11.846 118.245 112.487 1.00 26.47 N +ATOM 23489 N TRP L 208 12.075 122.995 107.915 1.00 24.24 N +ATOM 23490 CA TRP L 208 11.865 124.062 106.936 1.00 24.52 C +ATOM 23491 C TRP L 208 10.454 124.089 106.327 1.00 25.80 C +ATOM 23492 O TRP L 208 9.914 125.179 106.056 1.00 25.96 O +ATOM 23493 CB TRP L 208 12.876 123.949 105.792 1.00 25.25 C +ATOM 23494 CG TRP L 208 13.818 125.090 105.693 1.00 22.98 C +ATOM 23495 CD1 TRP L 208 13.834 126.040 104.724 1.00 27.20 C +ATOM 23496 CD2 TRP L 208 14.920 125.377 106.557 1.00 24.80 C +ATOM 23497 NE1 TRP L 208 14.882 126.916 104.923 1.00 28.60 N +ATOM 23498 CE2 TRP L 208 15.560 126.534 106.051 1.00 27.18 C +ATOM 23499 CE3 TRP L 208 15.431 124.774 107.712 1.00 27.39 C +ATOM 23500 CZ2 TRP L 208 16.656 127.108 106.668 1.00 25.38 C +ATOM 23501 CZ3 TRP L 208 16.538 125.338 108.313 1.00 28.85 C +ATOM 23502 CH2 TRP L 208 17.135 126.499 107.798 1.00 29.56 C +ATOM 23503 N ASP L 209 9.891 122.904 106.085 1.00 25.77 N +ATOM 23504 CA ASP L 209 8.522 122.772 105.596 1.00 28.32 C +ATOM 23505 C ASP L 209 7.473 123.403 106.552 1.00 29.57 C +ATOM 23506 O ASP L 209 6.435 123.894 106.092 1.00 29.59 O +ATOM 23507 CB ASP L 209 8.178 121.293 105.338 1.00 30.15 C +ATOM 23508 CG ASP L 209 8.321 120.412 106.593 1.00 31.59 C +ATOM 23509 OD1 ASP L 209 9.341 120.522 107.305 1.00 31.36 O +ATOM 23510 OD2 ASP L 209 7.412 119.603 106.864 1.00 35.88 O +ATOM 23511 N LYS L 210 7.765 123.408 107.860 1.00 29.80 N +ATOM 23512 CA LYS L 210 6.838 123.929 108.864 1.00 29.92 C +ATOM 23513 C LYS L 210 7.158 125.358 109.272 1.00 29.91 C +ATOM 23514 O LYS L 210 6.280 126.091 109.681 1.00 31.65 O +ATOM 23515 CB LYS L 210 6.897 123.078 110.126 1.00 31.55 C +ATOM 23516 CG LYS L 210 6.749 121.580 109.924 1.00 35.62 C +ATOM 23517 CD LYS L 210 5.302 121.154 109.801 1.00 40.27 C +ATOM 23518 CE LYS L 210 5.214 119.627 109.781 1.00 46.34 C +ATOM 23519 NZ LYS L 210 3.826 119.154 109.471 1.00 51.06 N +ATOM 23520 N ALA L 211 8.433 125.724 109.206 1.00 29.43 N +ATOM 23521 CA ALA L 211 8.943 126.930 109.837 1.00 29.34 C +ATOM 23522 C ALA L 211 9.116 128.098 108.900 1.00 30.60 C +ATOM 23523 O ALA L 211 9.268 129.219 109.377 1.00 32.34 O +ATOM 23524 CB ALA L 211 10.271 126.644 110.474 1.00 31.41 C +ATOM 23525 N THR L 212 9.153 127.855 107.593 1.00 30.55 N +ATOM 23526 CA ATHR L 212 9.488 128.861 106.578 0.50 32.24 C +ATOM 23527 CA BTHR L 212 9.334 128.971 106.669 0.50 32.71 C +ATOM 23528 C THR L 212 8.479 128.765 105.438 1.00 32.61 C +ATOM 23529 O THR L 212 7.927 127.689 105.213 1.00 35.54 O +ATOM 23530 CB ATHR L 212 10.914 128.606 105.962 0.50 33.21 C +ATOM 23531 CB BTHR L 212 10.846 129.293 106.323 0.50 33.18 C +ATOM 23532 OG1ATHR L 212 10.885 127.426 105.133 0.50 34.89 O +ATOM 23533 OG1BTHR L 212 10.909 130.432 105.449 0.50 36.07 O +ATOM 23534 CG2ATHR L 212 11.987 128.441 107.052 0.50 28.32 C +ATOM 23535 CG2BTHR L 212 11.552 128.110 105.678 0.50 35.83 C +ATOM 23536 N VAL L 213 8.307 129.854 104.704 1.00 32.80 N +ATOM 23537 CA VAL L 213 7.385 129.931 103.577 1.00 33.39 C +ATOM 23538 C VAL L 213 8.182 129.997 102.257 1.00 31.38 C +ATOM 23539 O VAL L 213 7.877 129.280 101.311 1.00 32.34 O +ATOM 23540 CB VAL L 213 6.478 131.197 103.732 1.00 34.79 C +ATOM 23541 CG1 VAL L 213 5.166 131.007 102.990 1.00 38.99 C +ATOM 23542 CG2 VAL L 213 6.244 131.515 105.231 1.00 37.76 C +ATOM 23543 N ASP L 214 9.211 130.831 102.202 1.00 28.91 N +ATOM 23544 CA ASP L 214 10.013 131.013 100.970 1.00 29.12 C +ATOM 23545 C ASP L 214 11.425 130.388 101.028 1.00 27.26 C +ATOM 23546 O ASP L 214 12.221 130.525 100.091 1.00 25.95 O +ATOM 23547 CB ASP L 214 10.115 132.515 100.673 1.00 30.11 C +ATOM 23548 CG ASP L 214 10.576 133.316 101.866 1.00 31.27 C +ATOM 23549 OD1 ASP L 214 11.373 132.766 102.647 1.00 33.57 O +ATOM 23550 OD2 ASP L 214 10.139 134.486 102.026 1.00 31.26 O +ATOM 23551 N SER L 215 11.701 129.700 102.132 1.00 26.11 N +ATOM 23552 CA SER L 215 13.003 129.051 102.456 1.00 25.44 C +ATOM 23553 C SER L 215 13.967 129.964 103.220 1.00 25.50 C +ATOM 23554 O SER L 215 14.993 129.515 103.724 1.00 27.05 O +ATOM 23555 CB SER L 215 13.680 128.392 101.243 1.00 24.96 C +ATOM 23556 OG SER L 215 14.599 129.245 100.573 1.00 26.11 O +ATOM 23557 N GLY L 216 13.656 131.250 103.296 1.00 23.86 N +ATOM 23558 CA GLY L 216 14.472 132.160 104.052 1.00 22.98 C +ATOM 23559 C GLY L 216 14.041 132.212 105.506 1.00 22.66 C +ATOM 23560 O GLY L 216 12.908 131.866 105.860 1.00 22.37 O +ATOM 23561 N VAL L 217 14.980 132.656 106.337 1.00 23.91 N +ATOM 23562 CA VAL L 217 14.754 132.927 107.768 1.00 24.17 C +ATOM 23563 C VAL L 217 15.351 134.312 108.090 1.00 24.76 C +ATOM 23564 O VAL L 217 16.541 134.444 108.408 1.00 23.55 O +ATOM 23565 CB VAL L 217 15.389 131.844 108.709 1.00 26.30 C +ATOM 23566 CG1 VAL L 217 14.934 132.091 110.184 1.00 23.69 C +ATOM 23567 CG2 VAL L 217 15.011 130.417 108.255 1.00 22.90 C +ATOM 23568 N GLY L 218 14.505 135.331 107.963 1.00 25.15 N +ATOM 23569 CA GLY L 218 14.906 136.711 108.218 1.00 26.06 C +ATOM 23570 C GLY L 218 14.668 137.571 106.995 1.00 26.44 C +ATOM 23571 O GLY L 218 14.902 137.143 105.868 1.00 26.44 O +ATOM 23572 N ASN L 219 14.185 138.779 107.222 1.00 27.15 N +ATOM 23573 CA ASN L 219 13.776 139.664 106.136 1.00 26.79 C +ATOM 23574 C ASN L 219 15.022 140.320 105.573 1.00 24.79 C +ATOM 23575 O ASN L 219 15.775 140.955 106.342 1.00 25.63 O +ATOM 23576 CB ASN L 219 12.771 140.697 106.644 1.00 28.73 C +ATOM 23577 CG ASN L 219 12.192 141.556 105.529 1.00 32.05 C +ATOM 23578 OD1 ASN L 219 12.892 141.949 104.587 1.00 33.08 O +ATOM 23579 ND2 ASN L 219 10.912 141.867 105.642 1.00 27.99 N +ATOM 23580 N PRO L 220 15.273 140.133 104.252 1.00 23.46 N +ATOM 23581 CA PRO L 220 16.456 140.661 103.567 1.00 25.13 C +ATOM 23582 C PRO L 220 16.293 142.041 102.954 1.00 25.95 C +ATOM 23583 O PRO L 220 17.244 142.558 102.368 1.00 24.76 O +ATOM 23584 CB PRO L 220 16.670 139.623 102.447 1.00 25.12 C +ATOM 23585 CG PRO L 220 15.260 139.284 102.066 1.00 23.83 C +ATOM 23586 CD PRO L 220 14.457 139.311 103.333 1.00 24.87 C +ATOM 23587 N LYS L 221 15.113 142.636 103.112 1.00 27.86 N +ATOM 23588 CA LYS L 221 14.680 143.726 102.236 1.00 31.50 C +ATOM 23589 C LYS L 221 15.457 145.013 102.442 1.00 27.19 C +ATOM 23590 O LYS L 221 15.575 145.816 101.520 1.00 27.46 O +ATOM 23591 CB LYS L 221 13.150 143.949 102.336 1.00 33.92 C +ATOM 23592 CG LYS L 221 12.296 142.810 101.696 1.00 36.95 C +ATOM 23593 CD LYS L 221 12.761 142.540 100.260 1.00 50.47 C +ATOM 23594 CE LYS L 221 11.603 142.175 99.315 1.00 61.55 C +ATOM 23595 NZ LYS L 221 11.950 142.377 97.863 1.00 60.52 N +ATOM 23596 N LYS L 222 16.047 145.173 103.617 1.00 27.19 N +ATOM 23597 CA LYS L 222 16.896 146.333 103.880 1.00 26.69 C +ATOM 23598 C LYS L 222 18.367 146.120 103.475 1.00 25.30 C +ATOM 23599 O LYS L 222 19.232 146.949 103.771 1.00 24.92 O +ATOM 23600 CB LYS L 222 16.775 146.718 105.345 1.00 29.90 C +ATOM 23601 CG LYS L 222 15.355 147.058 105.765 1.00 32.95 C +ATOM 23602 CD LYS L 222 15.388 147.754 107.106 1.00 43.69 C +ATOM 23603 CE LYS L 222 14.003 147.948 107.723 1.00 49.87 C +ATOM 23604 NZ LYS L 222 14.154 148.211 109.192 1.00 50.82 N +ATOM 23605 N ALA L 223 18.641 145.042 102.746 1.00 24.56 N +ATOM 23606 CA ALA L 223 19.991 144.764 102.250 1.00 22.83 C +ATOM 23607 C ALA L 223 20.488 145.774 101.220 1.00 22.95 C +ATOM 23608 O ALA L 223 19.752 146.198 100.291 1.00 23.17 O +ATOM 23609 CB ALA L 223 20.044 143.356 101.656 1.00 22.68 C +ATOM 23610 N THR L 224 21.760 146.131 101.337 1.00 22.15 N +ATOM 23611 CA THR L 224 22.427 146.902 100.309 1.00 22.36 C +ATOM 23612 C THR L 224 23.853 146.416 100.111 1.00 21.96 C +ATOM 23613 O THR L 224 24.416 145.805 100.988 1.00 21.83 O +ATOM 23614 CB THR L 224 22.483 148.401 100.666 1.00 26.75 C +ATOM 23615 OG1 THR L 224 23.572 148.640 101.566 1.00 25.57 O +ATOM 23616 CG2 THR L 224 21.135 148.900 101.279 1.00 20.95 C +ATOM 23617 N ALA L 225 24.418 146.689 98.941 1.00 21.72 N +ATOM 23618 CA ALA L 225 25.819 146.349 98.641 1.00 21.91 C +ATOM 23619 C ALA L 225 26.794 147.036 99.591 1.00 24.15 C +ATOM 23620 O ALA L 225 27.820 146.471 99.919 1.00 24.54 O +ATOM 23621 CB ALA L 225 26.168 146.706 97.170 1.00 20.59 C +ATOM 23622 N GLU L 226 26.458 148.256 100.007 1.00 26.06 N +ATOM 23623 CA GLU L 226 27.311 149.082 100.846 1.00 29.51 C +ATOM 23624 C GLU L 226 27.427 148.484 102.249 1.00 24.36 C +ATOM 23625 O GLU L 226 28.517 148.440 102.815 1.00 23.81 O +ATOM 23626 CB GLU L 226 26.739 150.508 100.895 1.00 29.47 C +ATOM 23627 CG GLU L 226 27.568 151.542 101.637 1.00 40.05 C +ATOM 23628 CD GLU L 226 26.883 152.921 101.717 1.00 40.63 C +ATOM 23629 OE1 GLU L 226 25.622 152.990 101.731 1.00 62.87 O +ATOM 23630 OE2 GLU L 226 27.607 153.948 101.766 1.00 67.50 O +ATOM 23631 N LYS L 227 26.301 148.025 102.788 1.00 23.47 N +ATOM 23632 CA LYS L 227 26.266 147.347 104.077 1.00 24.20 C +ATOM 23633 C LYS L 227 27.140 146.088 104.064 1.00 23.51 C +ATOM 23634 O LYS L 227 27.696 145.703 105.092 1.00 23.81 O +ATOM 23635 CB LYS L 227 24.839 146.931 104.426 1.00 23.14 C +ATOM 23636 CG LYS L 227 23.901 148.059 104.827 1.00 25.98 C +ATOM 23637 CD LYS L 227 22.617 147.428 105.378 1.00 29.02 C +ATOM 23638 CE LYS L 227 21.493 148.427 105.570 1.00 28.75 C +ATOM 23639 NZ LYS L 227 20.322 147.741 106.232 1.00 28.02 N +ATOM 23640 N GLY L 228 27.170 145.420 102.915 1.00 23.40 N +ATOM 23641 CA GLY L 228 27.965 144.209 102.709 1.00 23.04 C +ATOM 23642 C GLY L 228 29.442 144.513 102.661 1.00 23.90 C +ATOM 23643 O GLY L 228 30.237 143.841 103.294 1.00 23.49 O +ATOM 23644 N GLU L 229 29.792 145.542 101.888 1.00 25.06 N +ATOM 23645 CA GLU L 229 31.171 145.970 101.742 1.00 26.85 C +ATOM 23646 C GLU L 229 31.764 146.349 103.085 1.00 25.84 C +ATOM 23647 O GLU L 229 32.954 146.102 103.320 1.00 25.11 O +ATOM 23648 CB GLU L 229 31.233 147.180 100.802 1.00 27.16 C +ATOM 23649 CG GLU L 229 32.577 147.887 100.726 1.00 28.85 C +ATOM 23650 CD GLU L 229 32.517 149.096 99.826 1.00 35.17 C +ATOM 23651 OE1 GLU L 229 31.518 149.862 99.881 1.00 45.24 O +ATOM 23652 OE2 GLU L 229 33.464 149.269 99.043 1.00 48.65 O +ATOM 23653 N ARG L 230 30.935 146.973 103.933 1.00 25.41 N +ATOM 23654 CA ARG L 230 31.370 147.479 105.209 1.00 26.51 C +ATOM 23655 C ARG L 230 31.584 146.339 106.204 1.00 25.29 C +ATOM 23656 O ARG L 230 32.596 146.335 106.898 1.00 25.68 O +ATOM 23657 CB ARG L 230 30.332 148.470 105.726 1.00 28.24 C +ATOM 23658 CG ARG L 230 30.624 148.995 107.100 1.00 37.26 C +ATOM 23659 CD ARG L 230 29.627 150.043 107.526 1.00 34.14 C +ATOM 23660 NE ARG L 230 29.478 151.075 106.494 1.00 42.06 N +ATOM 23661 CZ ARG L 230 28.376 151.318 105.781 1.00 40.77 C +ATOM 23662 NH1 ARG L 230 27.241 150.638 105.978 1.00 48.55 N +ATOM 23663 NH2 ARG L 230 28.397 152.292 104.890 1.00 39.83 N +ATOM 23664 N TYR L 231 30.636 145.390 106.262 1.00 23.16 N +ATOM 23665 CA TYR L 231 30.728 144.191 107.127 1.00 22.99 C +ATOM 23666 C TYR L 231 31.927 143.268 106.850 1.00 22.43 C +ATOM 23667 O TYR L 231 32.575 142.784 107.799 1.00 24.64 O +ATOM 23668 CB TYR L 231 29.423 143.382 107.033 1.00 22.69 C +ATOM 23669 CG TYR L 231 29.241 142.237 108.019 1.00 26.11 C +ATOM 23670 CD1 TYR L 231 29.367 142.438 109.392 1.00 24.15 C +ATOM 23671 CD2 TYR L 231 28.873 140.954 107.568 1.00 22.01 C +ATOM 23672 CE1 TYR L 231 29.149 141.393 110.295 1.00 23.07 C +ATOM 23673 CE2 TYR L 231 28.694 139.910 108.450 1.00 18.97 C +ATOM 23674 CZ TYR L 231 28.823 140.142 109.809 1.00 19.77 C +ATOM 23675 OH TYR L 231 28.654 139.118 110.668 1.00 23.53 O +ATOM 23676 N VAL L 232 32.217 143.005 105.573 1.00 22.80 N +ATOM 23677 CA VAL L 232 33.309 142.096 105.239 1.00 22.49 C +ATOM 23678 C VAL L 232 34.678 142.659 105.548 1.00 23.68 C +ATOM 23679 O VAL L 232 35.608 141.859 105.633 1.00 23.61 O +ATOM 23680 CB VAL L 232 33.321 141.593 103.754 1.00 24.35 C +ATOM 23681 CG1 VAL L 232 31.983 140.942 103.388 1.00 23.29 C +ATOM 23682 CG2 VAL L 232 33.683 142.708 102.802 1.00 23.00 C +ATOM 23683 N LYS L 233 34.828 143.986 105.734 1.00 23.75 N +ATOM 23684 CA LYS L 233 36.185 144.545 105.996 1.00 25.71 C +ATOM 23685 C LYS L 233 36.842 144.029 107.291 1.00 22.58 C +ATOM 23686 O LYS L 233 37.996 143.567 107.266 1.00 23.44 O +ATOM 23687 CB LYS L 233 36.230 146.094 105.962 1.00 27.55 C +ATOM 23688 CG LYS L 233 36.013 146.723 104.573 1.00 41.40 C +ATOM 23689 CD LYS L 233 36.876 146.084 103.424 1.00 54.16 C +ATOM 23690 CE LYS L 233 36.338 146.401 102.005 1.00 52.74 C +ATOM 23691 NZ LYS L 233 35.247 145.472 101.568 1.00 44.47 N +ATOM 23692 N PRO L 234 36.129 144.141 108.431 1.00 22.10 N +ATOM 23693 CA PRO L 234 36.690 143.582 109.670 1.00 22.27 C +ATOM 23694 C PRO L 234 36.854 142.052 109.646 1.00 21.09 C +ATOM 23695 O PRO L 234 37.790 141.550 110.281 1.00 20.83 O +ATOM 23696 CB PRO L 234 35.686 144.008 110.736 1.00 23.73 C +ATOM 23697 CG PRO L 234 34.398 144.287 109.969 1.00 23.12 C +ATOM 23698 CD PRO L 234 34.858 144.850 108.676 1.00 22.06 C +ATOM 23699 N ILE L 235 35.972 141.352 108.916 1.00 21.68 N +ATOM 23700 CA ILE L 235 36.004 139.874 108.780 1.00 20.72 C +ATOM 23701 C ILE L 235 37.256 139.490 108.041 1.00 20.77 C +ATOM 23702 O ILE L 235 38.046 138.714 108.514 1.00 22.70 O +ATOM 23703 CB ILE L 235 34.770 139.315 108.005 1.00 23.10 C +ATOM 23704 CG1 ILE L 235 33.474 139.589 108.780 1.00 23.35 C +ATOM 23705 CG2 ILE L 235 34.889 137.792 107.793 1.00 21.45 C +ATOM 23706 CD1 ILE L 235 32.192 139.470 107.943 1.00 21.09 C +ATOM 23707 N VAL L 236 37.464 140.101 106.890 1.00 20.58 N +ATOM 23708 CA VAL L 236 38.676 139.918 106.124 1.00 20.26 C +ATOM 23709 C VAL L 236 39.916 140.238 106.937 1.00 21.75 C +ATOM 23710 O VAL L 236 40.900 139.499 106.874 1.00 22.18 O +ATOM 23711 CB VAL L 236 38.625 140.742 104.811 1.00 22.88 C +ATOM 23712 CG1 VAL L 236 40.013 140.911 104.183 1.00 18.34 C +ATOM 23713 CG2 VAL L 236 37.694 140.096 103.869 1.00 16.96 C +ATOM 23714 N GLU L 237 39.881 141.314 107.728 1.00 23.22 N +ATOM 23715 CA GLU L 237 41.054 141.691 108.552 1.00 23.14 C +ATOM 23716 C GLU L 237 41.337 140.704 109.684 1.00 21.52 C +ATOM 23717 O GLU L 237 42.466 140.349 109.916 1.00 22.02 O +ATOM 23718 CB GLU L 237 40.879 143.119 109.083 1.00 26.01 C +ATOM 23719 CG GLU L 237 42.187 143.788 109.542 1.00 33.40 C +ATOM 23720 CD GLU L 237 42.713 143.272 110.898 1.00 38.82 C +ATOM 23721 OE1 GLU L 237 41.903 142.947 111.820 1.00 45.54 O +ATOM 23722 OE2 GLU L 237 43.956 143.193 111.039 1.00 40.68 O +ATOM 23723 N LYS L 238 40.307 140.248 110.381 1.00 22.01 N +ATOM 23724 CA LYS L 238 40.454 139.236 111.428 1.00 23.29 C +ATOM 23725 C LYS L 238 40.977 137.896 110.914 1.00 22.39 C +ATOM 23726 O LYS L 238 41.879 137.313 111.506 1.00 22.23 O +ATOM 23727 CB LYS L 238 39.140 139.018 112.180 1.00 24.90 C +ATOM 23728 CG LYS L 238 38.950 139.984 113.323 1.00 30.85 C +ATOM 23729 CD LYS L 238 37.710 139.678 114.116 1.00 35.41 C +ATOM 23730 CE LYS L 238 37.306 140.839 115.041 1.00 45.91 C +ATOM 23731 NZ LYS L 238 38.361 141.104 116.076 1.00 47.33 N +ATOM 23732 N LEU L 239 40.439 137.427 109.792 1.00 22.43 N +ATOM 23733 CA LEU L 239 40.929 136.194 109.180 1.00 21.01 C +ATOM 23734 C LEU L 239 42.373 136.313 108.692 1.00 21.08 C +ATOM 23735 O LEU L 239 43.166 135.397 108.912 1.00 20.37 O +ATOM 23736 CB LEU L 239 40.007 135.736 108.040 1.00 20.31 C +ATOM 23737 CG LEU L 239 38.606 135.311 108.496 1.00 19.57 C +ATOM 23738 CD1 LEU L 239 37.702 135.169 107.291 1.00 18.73 C +ATOM 23739 CD2 LEU L 239 38.646 134.000 109.279 1.00 19.73 C +ATOM 23740 N ALA L 240 42.723 137.414 108.013 1.00 21.44 N +ATOM 23741 CA ALA L 240 44.128 137.634 107.622 1.00 20.69 C +ATOM 23742 C ALA L 240 45.064 137.522 108.838 1.00 20.39 C +ATOM 23743 O ALA L 240 46.117 136.878 108.782 1.00 22.53 O +ATOM 23744 CB ALA L 240 44.312 139.009 106.902 1.00 18.40 C +ATOM 23745 N GLY L 241 44.693 138.162 109.938 1.00 21.13 N +ATOM 23746 CA GLY L 241 45.474 138.047 111.185 1.00 21.19 C +ATOM 23747 C GLY L 241 45.640 136.618 111.671 1.00 21.92 C +ATOM 23748 O GLY L 241 46.744 136.219 112.074 1.00 21.88 O +ATOM 23749 N LEU L 242 44.553 135.841 111.631 1.00 21.41 N +ATOM 23750 CA LEU L 242 44.590 134.396 111.965 1.00 21.15 C +ATOM 23751 C LEU L 242 45.525 133.618 111.070 1.00 21.53 C +ATOM 23752 O LEU L 242 46.310 132.793 111.554 1.00 21.42 O +ATOM 23753 CB LEU L 242 43.177 133.752 111.899 1.00 21.92 C +ATOM 23754 CG LEU L 242 43.007 132.215 112.009 1.00 21.62 C +ATOM 23755 CD1 LEU L 242 43.506 131.639 113.376 1.00 20.07 C +ATOM 23756 CD2 LEU L 242 41.541 131.833 111.814 1.00 19.05 C +ATOM 23757 N PHE L 243 45.435 133.865 109.770 1.00 22.25 N +ATOM 23758 CA PHE L 243 46.307 133.202 108.799 1.00 23.48 C +ATOM 23759 C PHE L 243 47.768 133.466 109.128 1.00 24.09 C +ATOM 23760 O PHE L 243 48.583 132.540 109.102 1.00 24.99 O +ATOM 23761 CB PHE L 243 46.064 133.672 107.350 1.00 23.01 C +ATOM 23762 CG PHE L 243 44.678 133.418 106.816 1.00 22.34 C +ATOM 23763 CD1 PHE L 243 43.722 132.720 107.538 1.00 25.72 C +ATOM 23764 CD2 PHE L 243 44.339 133.904 105.553 1.00 24.49 C +ATOM 23765 CE1 PHE L 243 42.441 132.523 107.022 1.00 24.05 C +ATOM 23766 CE2 PHE L 243 43.075 133.695 105.019 1.00 23.60 C +ATOM 23767 CZ PHE L 243 42.117 133.005 105.774 1.00 25.42 C +ATOM 23768 N GLU L 244 48.090 134.745 109.374 1.00 24.23 N +ATOM 23769 CA GLU L 244 49.443 135.190 109.728 1.00 24.46 C +ATOM 23770 C GLU L 244 49.942 134.485 111.001 1.00 24.17 C +ATOM 23771 O GLU L 244 51.014 133.889 111.015 1.00 25.68 O +ATOM 23772 CB GLU L 244 49.450 136.712 109.930 1.00 25.10 C +ATOM 23773 CG GLU L 244 49.218 137.499 108.633 1.00 29.75 C +ATOM 23774 CD GLU L 244 48.958 139.001 108.824 1.00 29.75 C +ATOM 23775 OE1 GLU L 244 48.653 139.443 109.955 1.00 32.14 O +ATOM 23776 OE2 GLU L 244 49.078 139.742 107.813 1.00 32.27 O +ATOM 23777 N GLU L 245 49.144 134.535 112.058 1.00 24.69 N +ATOM 23778 CA GLU L 245 49.465 133.858 113.328 1.00 25.42 C +ATOM 23779 C GLU L 245 49.626 132.336 113.207 1.00 26.11 C +ATOM 23780 O GLU L 245 50.544 131.771 113.817 1.00 27.12 O +ATOM 23781 CB GLU L 245 48.396 134.165 114.394 1.00 25.67 C +ATOM 23782 CG GLU L 245 48.387 135.600 114.872 1.00 26.79 C +ATOM 23783 CD GLU L 245 47.058 136.040 115.493 1.00 27.77 C +ATOM 23784 OE1 GLU L 245 46.095 135.227 115.591 1.00 30.47 O +ATOM 23785 OE2 GLU L 245 46.980 137.224 115.878 1.00 32.36 O +HETATM23786 N MSE L 246 48.753 131.682 112.429 1.00 25.84 N +HETATM23787 CA MSE L 246 48.887 130.252 112.106 1.00 26.11 C +HETATM23788 C MSE L 246 50.191 129.922 111.389 1.00 28.53 C +HETATM23789 O MSE L 246 50.825 128.883 111.663 1.00 28.74 O +HETATM23790 CB MSE L 246 47.719 129.773 111.238 1.00 25.54 C +HETATM23791 CG MSE L 246 46.449 129.538 112.023 1.00 28.13 C +HETATM23792 SE MSE L 246 44.877 129.027 110.925 0.75 25.94 SE +HETATM23793 CE MSE L 246 45.377 127.112 110.630 1.00 22.76 C +ATOM 23794 N ALA L 247 50.580 130.820 110.475 1.00 29.77 N +ATOM 23795 CA ALA L 247 51.839 130.732 109.754 1.00 30.71 C +ATOM 23796 C ALA L 247 53.075 130.977 110.662 1.00 31.06 C +ATOM 23797 O ALA L 247 54.124 130.337 110.492 1.00 31.73 O +ATOM 23798 CB ALA L 247 51.834 131.729 108.615 1.00 27.89 C +ATOM 23799 N GLN L 248 52.956 131.902 111.608 1.00 30.52 N +ATOM 23800 CA GLN L 248 54.119 132.354 112.370 1.00 33.46 C +ATOM 23801 C GLN L 248 54.274 131.796 113.802 1.00 33.63 C +ATOM 23802 O GLN L 248 55.297 132.049 114.440 1.00 34.62 O +ATOM 23803 CB GLN L 248 54.126 133.894 112.408 1.00 33.89 C +ATOM 23804 CG GLN L 248 54.360 134.514 111.022 1.00 36.86 C +ATOM 23805 CD GLN L 248 53.991 135.992 110.939 1.00 38.23 C +ATOM 23806 OE1 GLN L 248 53.390 136.571 111.862 1.00 45.96 O +ATOM 23807 NE2 GLN L 248 54.347 136.610 109.824 1.00 41.96 N +ATOM 23808 N HIS L 249 53.274 131.065 114.307 1.00 33.24 N +ATOM 23809 CA HIS L 249 53.327 130.471 115.657 1.00 32.97 C +ATOM 23810 C HIS L 249 52.894 129.019 115.687 1.00 32.34 C +ATOM 23811 O HIS L 249 52.022 128.618 114.950 1.00 33.24 O +ATOM 23812 CB HIS L 249 52.398 131.220 116.621 1.00 33.07 C +ATOM 23813 CG HIS L 249 52.823 132.624 116.894 1.00 36.31 C +ATOM 23814 ND1 HIS L 249 53.493 132.985 118.044 1.00 40.37 N +ATOM 23815 CD2 HIS L 249 52.698 133.753 116.155 1.00 37.70 C +ATOM 23816 CE1 HIS L 249 53.753 134.282 118.003 1.00 42.57 C +ATOM 23817 NE2 HIS L 249 53.289 134.768 116.865 1.00 38.40 N +ATOM 23818 N ASP L 250 53.492 128.247 116.572 1.00 31.92 N +ATOM 23819 CA ASP L 250 52.990 126.925 116.903 1.00 31.47 C +ATOM 23820 C ASP L 250 51.738 127.074 117.767 1.00 28.41 C +ATOM 23821 O ASP L 250 51.520 128.106 118.400 1.00 27.46 O +ATOM 23822 CB ASP L 250 54.079 126.098 117.616 1.00 33.04 C +ATOM 23823 CG ASP L 250 55.417 126.112 116.843 1.00 43.59 C +ATOM 23824 OD1 ASP L 250 55.369 126.504 115.637 1.00 48.18 O +ATOM 23825 OD2 ASP L 250 56.502 125.756 117.408 1.00 51.47 O +ATOM 23826 N LEU L 251 50.904 126.044 117.784 1.00 26.55 N +ATOM 23827 CA LEU L 251 49.667 126.079 118.558 1.00 26.05 C +ATOM 23828 C LEU L 251 49.918 126.492 120.008 1.00 26.02 C +ATOM 23829 O LEU L 251 49.197 127.323 120.567 1.00 24.48 O +ATOM 23830 CB LEU L 251 48.994 124.714 118.517 1.00 27.37 C +ATOM 23831 CG LEU L 251 47.544 124.609 119.018 1.00 25.90 C +ATOM 23832 CD1 LEU L 251 46.628 125.521 118.240 1.00 25.48 C +ATOM 23833 CD2 LEU L 251 47.091 123.158 118.899 1.00 24.60 C +ATOM 23834 N TYR L 252 50.968 125.910 120.586 1.00 27.45 N +ATOM 23835 CA TYR L 252 51.408 126.183 121.945 1.00 28.33 C +ATOM 23836 C TYR L 252 52.916 126.476 121.926 1.00 31.58 C +ATOM 23837 O TYR L 252 53.675 125.832 121.190 1.00 31.87 O +ATOM 23838 CB TYR L 252 51.123 124.969 122.832 1.00 27.33 C +ATOM 23839 CG TYR L 252 49.658 124.740 123.176 1.00 25.85 C +ATOM 23840 CD1 TYR L 252 49.078 125.356 124.285 1.00 24.67 C +ATOM 23841 CD2 TYR L 252 48.869 123.866 122.426 1.00 22.37 C +ATOM 23842 CE1 TYR L 252 47.737 125.143 124.617 1.00 25.80 C +ATOM 23843 CE2 TYR L 252 47.522 123.634 122.756 1.00 21.73 C +ATOM 23844 CZ TYR L 252 46.954 124.260 123.845 1.00 24.61 C +ATOM 23845 OH TYR L 252 45.609 124.053 124.168 1.00 23.98 O +ATOM 23846 N GLU L 253 53.359 127.445 122.716 1.00 36.55 N +ATOM 23847 CA GLU L 253 54.789 127.825 122.730 1.00 42.52 C +ATOM 23848 C GLU L 253 55.412 127.878 124.147 1.00 44.70 C +ATOM 23849 O GLU L 253 54.805 128.345 125.124 1.00 46.34 O +ATOM 23850 CB GLU L 253 54.993 129.152 121.971 1.00 42.55 C +ATOM 23851 CG GLU L 253 54.842 128.973 120.427 1.00 43.90 C +ATOM 23852 CD GLU L 253 55.218 130.201 119.597 1.00 44.04 C +ATOM 23853 OE1 GLU L 253 55.179 131.348 120.122 1.00 41.67 O +ATOM 23854 OE2 GLU L 253 55.550 129.997 118.402 1.00 47.13 O +ATOM 23855 OXT GLU L 253 56.551 127.421 124.352 1.00 49.26 O +TER 23856 GLU L 253 +HETATM23857 ZN ZN A 301 33.961 49.979 148.694 1.00 40.03 ZN +HETATM23858 ZN ZN A 302 33.521 53.170 149.666 1.00 23.16 ZN +HETATM23859 CA CA A 254 13.211 62.265 138.112 1.00 77.31 CA +HETATM23860 CL CL A 255 38.464 46.317 140.435 1.00 47.07 CL +HETATM23861 ZN ZN B 301 15.554 38.384 169.518 1.00 39.67 ZN +HETATM23862 ZN ZN B 302 15.621 41.056 171.705 1.00 20.20 ZN +HETATM23863 C1 EDO B 254 31.095 42.510 159.270 1.00 27.71 C +HETATM23864 O1 EDO B 254 30.669 43.864 159.124 1.00 34.08 O +HETATM23865 C2 EDO B 254 30.258 41.892 160.380 1.00 25.59 C +HETATM23866 O2 EDO B 254 30.874 42.149 161.640 1.00 31.34 O +HETATM23867 CL CL B 255 11.076 29.317 171.055 1.00 38.70 CL +HETATM23868 ZN ZN C 301 27.774 11.413 172.410 1.00 32.10 ZN +HETATM23869 ZN ZN C 302 26.839 8.971 174.591 1.00 17.42 ZN +HETATM23870 CA CA C 254 2.903 13.501 181.499 1.00 47.75 CA +HETATM23871 C1 EDO C 255 40.789 16.355 163.771 1.00 21.93 C +HETATM23872 O1 EDO C 255 41.762 17.082 163.020 1.00 30.98 O +HETATM23873 C2 EDO C 255 40.990 16.499 165.258 1.00 33.31 C +HETATM23874 O2 EDO C 255 40.131 15.574 165.936 1.00 26.28 O +HETATM23875 C1 EDO C 256 16.723 6.947 159.501 1.00 27.00 C +HETATM23876 O1 EDO C 256 15.447 7.002 160.151 1.00 34.81 O +HETATM23877 C2 EDO C 256 16.867 5.565 158.871 1.00 33.39 C +HETATM23878 O2 EDO C 256 15.860 5.337 157.903 1.00 34.81 O +HETATM23879 CL CL C 257 31.559 20.424 174.593 1.00 38.18 CL +HETATM23880 ZN ZN D 301 16.678 -2.196 147.887 1.00 28.78 ZN +HETATM23881 ZN ZN D 302 16.702 -5.297 149.176 1.00 18.42 ZN +HETATM23882 CA CA D 254 -0.895 0.911 142.461 1.00 39.80 CA +HETATM23883 CA CA D 255 39.696 -14.474 145.245 1.00 46.31 CA +HETATM23884 C1 EDO D 256 40.466 15.109 156.222 1.00 45.50 C +HETATM23885 O1 EDO D 256 39.694 16.221 155.709 1.00 51.77 O +HETATM23886 C2 EDO D 256 41.952 15.271 155.889 1.00 46.64 C +HETATM23887 O2 EDO D 256 42.803 14.341 156.595 1.00 44.88 O +HETATM23888 C1 EDO D 257 6.043 10.673 145.604 1.00 40.96 C +HETATM23889 O1 EDO D 257 5.002 11.663 145.753 1.00 49.27 O +HETATM23890 C2 EDO D 257 5.552 9.328 146.093 1.00 37.41 C +HETATM23891 O2 EDO D 257 6.335 8.285 145.507 1.00 33.72 O +HETATM23892 CL CL D 258 14.567 0.832 138.406 1.00 40.72 CL +HETATM23893 ZN ZN E 301 34.612 9.426 127.106 1.00 32.74 ZN +HETATM23894 ZN ZN E 302 34.675 8.804 123.777 1.00 20.32 ZN +HETATM23895 CA CA E 254 52.107 6.252 132.468 1.00 66.26 CA +HETATM23896 CA CA E 255 11.781 -0.517 118.156 1.00 49.87 CA +HETATM23897 C1 EDO E 256 22.470 23.739 126.427 1.00 31.49 C +HETATM23898 O1 EDO E 256 22.493 24.215 125.075 1.00 38.52 O +HETATM23899 C2 EDO E 256 22.809 22.254 126.415 1.00 34.92 C +HETATM23900 O2 EDO E 256 21.716 21.498 125.857 1.00 36.96 O +HETATM23901 CL CL E 257 44.763 13.904 137.089 1.00 52.79 CL +HETATM23902 CL CL E 258 36.733 3.221 134.774 1.00 36.77 CL +HETATM23903 ZN ZN F 301 22.446 36.935 124.307 1.00 34.65 ZN +HETATM23904 ZN ZN F 302 23.395 37.377 121.015 1.00 21.51 ZN +HETATM23905 CA CA F 254 47.006 46.314 121.487 1.00 66.86 CA +HETATM23906 CL CL F 255 18.443 43.584 130.593 1.00 36.88 CL +HETATM23907 ZN ZN G 301 34.102 115.871 130.010 1.00 33.68 ZN +HETATM23908 ZN ZN G 302 33.055 116.538 133.175 1.00 20.63 ZN +HETATM23909 CA CA G 254 9.611 125.927 131.662 1.00 55.76 CA +HETATM23910 C1 EDO G 255 22.300 103.116 126.532 1.00 30.26 C +HETATM23911 O1 EDO G 255 21.324 103.845 127.268 1.00 40.34 O +HETATM23912 C2 EDO G 255 22.659 101.892 127.341 1.00 39.96 C +HETATM23913 O2 EDO G 255 21.598 100.932 127.308 1.00 32.48 O +HETATM23914 CL CL G 256 38.378 122.137 123.311 1.00 39.73 CL +HETATM23915 ZN ZN H 301 21.712 88.280 128.408 1.00 35.54 ZN +HETATM23916 ZN ZN H 302 21.637 87.883 131.814 1.00 18.19 ZN +HETATM23917 CL CL H 254 19.883 81.799 121.172 1.00 37.82 CL +HETATM23918 ZN ZN I 301 40.180 75.585 108.719 1.00 33.60 ZN +HETATM23919 ZN ZN I 302 40.206 72.351 107.652 1.00 20.24 ZN +HETATM23920 CA CA I 254 57.657 78.778 114.137 1.00 44.58 CA +HETATM23921 CA CA I 255 17.194 63.311 111.985 1.00 56.02 CA +HETATM23922 CL CL I 256 42.127 79.153 118.113 1.00 37.74 CL +HETATM23923 ZN ZN J 301 29.269 87.490 83.348 1.00 35.08 ZN +HETATM23924 ZN ZN J 302 30.238 84.892 81.307 1.00 17.89 ZN +HETATM23925 CA CA J 254 54.267 89.128 74.345 1.00 47.48 CA +HETATM23926 C1 EDO J 255 41.120 84.259 96.972 1.00 31.02 C +HETATM23927 O1 EDO J 255 41.180 83.681 95.673 1.00 26.75 O +HETATM23928 C2 EDO J 255 40.345 83.350 97.920 1.00 33.11 C +HETATM23929 O2 EDO J 255 40.651 81.980 97.665 1.00 33.97 O +HETATM23930 CL CL J 256 25.561 96.549 80.553 1.00 37.16 CL +HETATM23931 ZN ZN K 301 41.635 114.772 84.645 1.00 38.51 ZN +HETATM23932 ZN ZN K 302 41.502 117.208 82.346 1.00 22.04 ZN +HETATM23933 C1 EDO K 254 26.116 119.745 94.575 1.00 29.04 C +HETATM23934 O1 EDO K 254 26.673 121.060 94.546 1.00 39.38 O +HETATM23935 C2 EDO K 254 26.962 118.883 93.651 1.00 30.52 C +HETATM23936 O2 EDO K 254 26.392 118.900 92.355 1.00 29.24 O +HETATM23937 C1 EDO K 255 51.240 109.618 96.937 1.00 36.34 C +HETATM23938 O1 EDO K 255 52.307 109.390 97.860 1.00 45.19 O +HETATM23939 C2 EDO K 255 51.688 109.497 95.496 1.00 37.87 C +HETATM23940 O2 EDO K 255 51.955 110.812 94.995 1.00 35.91 O +HETATM23941 CL CL K 256 45.930 105.719 83.639 1.00 38.74 CL +HETATM23942 ZN ZN L 301 23.202 127.517 104.640 1.00 42.54 ZN +HETATM23943 ZN ZN L 302 23.653 130.761 103.422 1.00 23.58 ZN +HETATM23944 CA CA L 254 44.047 140.074 114.828 1.00 57.63 CA +HETATM23945 C1 EDO L 255 38.056 120.613 97.486 1.00 32.37 C +HETATM23946 O1 EDO L 255 38.563 121.893 97.890 1.00 26.85 O +HETATM23947 C2 EDO L 255 38.911 120.069 96.341 1.00 28.01 C +HETATM23948 O2 EDO L 255 38.686 120.882 95.190 1.00 34.34 O +HETATM23949 CL CL L 256 18.462 124.634 113.092 1.00 47.32 CL +HETATM23950 O HOH A 256 32.844 43.745 153.325 1.00 15.78 O +HETATM23951 O HOH A 257 26.062 39.754 138.848 1.00 16.03 O +HETATM23952 O HOH A 258 15.666 49.553 165.042 1.00 18.43 O +HETATM23953 O HOH A 259 13.451 42.344 139.148 1.00 16.84 O +HETATM23954 O HOH A 260 12.125 38.990 142.043 1.00 19.12 O +HETATM23955 O HOH A 261 32.746 50.302 153.811 1.00 18.18 O +HETATM23956 O HOH A 262 19.570 60.840 155.998 1.00 21.57 O +HETATM23957 O HOH A 263 17.723 32.764 144.044 1.00 20.62 O +HETATM23958 O HOH A 264 15.821 36.831 135.089 1.00 22.64 O +HETATM23959 O HOH A 265 9.173 57.584 151.137 1.00 21.80 O +HETATM23960 O HOH A 266 22.381 31.177 141.637 1.00 21.39 O +HETATM23961 O HOH A 281 35.619 44.807 126.480 1.00 22.36 O +HETATM23962 O HOH A 288 25.371 31.858 144.298 1.00 21.08 O +HETATM23963 O HOH A 336 13.965 40.273 140.415 1.00 23.51 O +HETATM23964 O HOH A 361 28.839 30.699 150.790 1.00 24.15 O +HETATM23965 O HOH A 363 29.965 54.454 149.114 1.00 22.70 O +HETATM23966 O HOH A 365 31.675 40.988 142.600 1.00 20.81 O +HETATM23967 O HOH A 375 18.053 51.548 158.233 1.00 25.88 O +HETATM23968 O HOH A 387 32.305 45.076 140.435 1.00 25.27 O +HETATM23969 O HOH A 391 40.902 65.788 145.946 1.00 23.99 O +HETATM23970 O HOH A 396 23.653 31.051 148.231 1.00 22.91 O +HETATM23971 O HOH A 399 24.089 52.183 139.277 1.00 22.25 O +HETATM23972 O HOH A 434 14.489 59.936 138.968 1.00 24.44 O +HETATM23973 O HOH A 438 41.760 57.733 148.675 1.00 23.65 O +HETATM23974 O HOH A 454 36.142 49.534 146.919 1.00 22.61 O +HETATM23975 O HOH A 457 9.152 63.536 154.877 1.00 25.36 O +HETATM23976 O HOH A 470 18.615 44.737 155.978 1.00 20.76 O +HETATM23977 O HOH A 522 16.716 58.209 161.177 1.00 24.99 O +HETATM23978 O HOH A 578 24.635 45.212 140.525 1.00 24.74 O +HETATM23979 O HOH A 579 2.443 37.129 150.197 1.00 26.73 O +HETATM23980 O HOH A 596 40.007 61.416 144.627 1.00 22.66 O +HETATM23981 O HOH A 608 25.756 30.366 150.609 1.00 26.92 O +HETATM23982 O HOH A 627 22.095 67.997 149.966 1.00 27.63 O +HETATM23983 O HOH A 630 36.062 36.074 153.584 1.00 25.48 O +HETATM23984 O HOH A 641 26.954 57.542 136.169 1.00 25.31 O +HETATM23985 O HOH A 663 28.782 68.775 157.053 1.00 26.69 O +HETATM23986 O HOH A 673 5.676 44.851 141.847 1.00 27.34 O +HETATM23987 O HOH A 674 21.407 30.030 149.168 1.00 29.43 O +HETATM23988 O HOH A 702 17.204 66.422 146.659 1.00 28.06 O +HETATM23989 O HOH A 706 8.516 33.426 150.599 1.00 28.91 O +HETATM23990 O HOH A 711 11.923 60.360 135.846 1.00 28.58 O +HETATM23991 O HOH A 715 11.759 56.596 171.138 1.00 29.12 O +HETATM23992 O HOH A 721 27.966 40.642 144.315 1.00 25.57 O +HETATM23993 O HOH A 724 12.268 52.583 168.459 1.00 24.78 O +HETATM23994 O HOH A 727 29.020 47.681 140.766 1.00 26.97 O +HETATM23995 O HOH A 738 7.101 46.937 148.499 1.00 27.59 O +HETATM23996 O HOH A 748 39.556 60.128 160.195 1.00 26.18 O +HETATM23997 O HOH A 775 34.416 52.369 148.059 1.00 27.44 O +HETATM23998 O HOH A 798 33.602 73.390 148.552 1.00 28.73 O +HETATM23999 O HOH A 802 35.828 47.637 126.667 1.00 30.12 O +HETATM24000 O HOH A 812 27.159 69.899 155.283 1.00 28.56 O +HETATM24001 O HOH A 830 45.226 57.317 142.525 1.00 28.06 O +HETATM24002 O HOH A 833 11.965 47.158 128.283 1.00 25.39 O +HETATM24003 O HOH A 853 24.386 47.467 141.676 1.00 28.25 O +HETATM24004 O HOH A 869 38.648 38.888 144.852 1.00 28.95 O +HETATM24005 O HOH A 877 36.025 58.351 146.301 1.00 29.55 O +HETATM24006 O HOH A 888 44.035 64.080 142.182 1.00 41.26 O +HETATM24007 O HOH A 889 47.556 63.436 144.162 1.00 39.73 O +HETATM24008 O HOH A 897 26.068 42.281 138.380 1.00 29.23 O +HETATM24009 O HOH A 907 1.914 45.552 129.232 1.00 32.33 O +HETATM24010 O HOH A 912 6.056 33.990 149.763 1.00 28.33 O +HETATM24011 O HOH A 918 30.717 38.952 144.162 1.00 32.49 O +HETATM24012 O HOH A 944 4.973 46.508 147.475 1.00 30.94 O +HETATM24013 O HOH A 971 20.396 29.987 142.543 1.00 30.35 O +HETATM24014 O HOH A 980 33.378 28.565 148.728 1.00 30.38 O +HETATM24015 O HOH A 992 50.618 59.767 151.270 1.00 30.63 O +HETATM24016 O HOH A 994 1.885 52.419 163.009 1.00 31.82 O +HETATM24017 O HOH A1002 12.176 32.827 154.868 1.00 31.31 O +HETATM24018 O HOH A1007 51.467 45.212 128.689 1.00 28.29 O +HETATM24019 O HOH A1008 40.089 46.654 137.481 1.00 32.14 O +HETATM24020 O HOH A1039 2.419 44.633 131.996 1.00 29.89 O +HETATM24021 O HOH A1056 15.483 65.317 154.292 1.00 30.27 O +HETATM24022 O HOH A1071 11.552 66.023 152.420 1.00 30.12 O +HETATM24023 O HOH A1093 26.221 51.309 159.133 1.00 31.50 O +HETATM24024 O HOH A1098 33.615 56.045 145.184 1.00 30.43 O +HETATM24025 O HOH A1102 6.056 49.149 139.911 1.00 27.93 O +HETATM24026 O HOH A1103 47.223 60.359 144.500 1.00 31.85 O +HETATM24027 O HOH A1112 24.013 67.160 138.048 1.00 32.92 O +HETATM24028 O HOH A1138 2.377 48.149 153.920 1.00 34.52 O +HETATM24029 O HOH A1143 37.891 66.984 158.200 1.00 31.31 O +HETATM24030 O HOH A1145 9.662 40.431 138.446 1.00 33.60 O +HETATM24031 O HOH A1149 33.040 51.314 146.027 1.00 36.37 O +HETATM24032 O HOH A1150 39.697 53.527 156.545 1.00 30.72 O +HETATM24033 O HOH A1156 36.592 45.775 146.316 1.00 33.15 O +HETATM24034 O HOH A1161 26.608 47.654 143.414 1.00 32.68 O +HETATM24035 O HOH A1172 16.243 30.717 139.855 1.00 33.02 O +HETATM24036 O HOH A1194 27.622 71.947 153.738 1.00 32.20 O +HETATM24037 O HOH A1201 29.651 29.287 148.730 1.00 33.54 O +HETATM24038 O HOH A1206 46.229 48.334 150.504 1.00 32.45 O +HETATM24039 O HOH A1217 6.489 63.994 155.183 1.00 31.80 O +HETATM24040 O HOH A1272 4.208 45.094 134.038 1.00 33.17 O +HETATM24041 O HOH A1273 43.451 38.297 139.731 1.00 33.57 O +HETATM24042 O HOH A1294 3.389 48.125 157.877 1.00 39.44 O +HETATM24043 O HOH A1297 20.240 51.998 165.193 1.00 32.49 O +HETATM24044 O HOH A1303 44.004 37.367 150.771 1.00 38.84 O +HETATM24045 O HOH A1304 4.809 45.588 137.447 1.00 31.56 O +HETATM24046 O HOH A1313 34.517 71.079 154.646 1.00 33.16 O +HETATM24047 O HOH A1315 9.556 35.757 135.660 1.00 35.12 O +HETATM24048 O HOH A1319 11.111 65.862 155.053 1.00 31.54 O +HETATM24049 O HOH A1323 -1.062 54.477 150.559 1.00 35.19 O +HETATM24050 O HOH A1348 17.476 62.567 156.661 1.00 31.21 O +HETATM24051 O HOH A1349 22.405 61.236 136.134 1.00 37.71 O +HETATM24052 O HOH A1373 38.072 57.929 138.779 1.00 37.70 O +HETATM24053 O HOH A1381 23.991 30.428 145.695 1.00 37.89 O +HETATM24054 O HOH A1382 3.553 42.627 141.915 1.00 35.46 O +HETATM24055 O HOH A1413 1.418 40.688 143.733 1.00 34.33 O +HETATM24056 O HOH A1422 1.075 42.324 148.340 1.00 33.67 O +HETATM24057 O HOH A1431 44.388 39.567 150.708 1.00 35.34 O +HETATM24058 O HOH A1432 34.272 30.432 146.752 1.00 35.87 O +HETATM24059 O HOH A1441 24.153 53.611 158.736 1.00 35.76 O +HETATM24060 O HOH A1458 21.536 66.766 152.141 1.00 36.50 O +HETATM24061 O HOH A1466 5.512 50.460 129.321 1.00 33.64 O +HETATM24062 O HOH A1467 3.610 47.140 149.578 1.00 37.57 O +HETATM24063 O HOH A1498 29.720 45.862 137.257 1.00 36.55 O +HETATM24064 O HOH A1506 44.749 34.023 148.509 1.00 33.46 O +HETATM24065 O HOH A1518 43.449 61.396 142.431 1.00 35.80 O +HETATM24066 O HOH A1573 19.587 34.672 143.685 1.00 37.15 O +HETATM24067 O HOH A1579 27.021 68.838 159.352 1.00 37.14 O +HETATM24068 O HOH A1604 47.011 54.273 148.073 1.00 37.08 O +HETATM24069 O HOH A1611 14.342 48.284 128.614 1.00 35.89 O +HETATM24070 O HOH A1633 17.945 30.444 142.108 1.00 35.38 O +HETATM24071 O HOH A1648 38.361 72.326 147.257 1.00 38.83 O +HETATM24072 O HOH A1668 39.651 70.031 150.871 1.00 37.62 O +HETATM24073 O HOH A1687 48.376 57.860 141.399 1.00 42.65 O +HETATM24074 O HOH A1701 48.868 50.920 129.964 1.00 38.77 O +HETATM24075 O HOH A1709 14.938 64.723 151.818 1.00 40.23 O +HETATM24076 O HOH A1725 2.043 45.989 151.764 1.00 40.18 O +HETATM24077 O HOH A1732 9.000 61.693 157.409 1.00 41.21 O +HETATM24078 O HOH A1735 44.026 58.356 160.921 1.00 39.09 O +HETATM24079 O HOH A1738 42.746 31.430 151.675 1.00 38.48 O +HETATM24080 O HOH A1784 25.132 62.155 135.482 1.00 39.78 O +HETATM24081 O HOH A1795 11.814 63.288 136.426 1.00 40.71 O +HETATM24082 O HOH A1810 3.415 42.863 156.711 1.00 43.04 O +HETATM24083 O HOH A1819 16.180 61.591 159.236 1.00 39.05 O +HETATM24084 O HOH A1830 45.850 59.586 142.211 1.00 41.86 O +HETATM24085 O HOH A1842 52.107 48.432 137.292 1.00 37.56 O +HETATM24086 O HOH A1877 1.055 45.609 160.148 1.00 38.67 O +HETATM24087 O HOH A1884 50.018 57.205 148.111 1.00 42.28 O +HETATM24088 O HOH A1885 8.223 38.316 136.004 1.00 40.95 O +HETATM24089 O HOH A1920 12.145 63.307 140.459 1.00 37.98 O +HETATM24090 O HOH A1925 47.441 39.040 148.093 1.00 44.69 O +HETATM24091 O HOH A1941 26.676 63.887 162.055 1.00 42.82 O +HETATM24092 O HOH A1961 40.521 59.641 163.719 1.00 42.07 O +HETATM24093 O HOH A1966 35.848 46.894 144.396 1.00 39.64 O +HETATM24094 O HOH A1971 30.257 56.935 139.333 1.00 40.03 O +HETATM24095 O HOH A1990 24.390 56.694 159.631 1.00 42.05 O +HETATM24096 O HOH A1998 1.713 55.166 151.032 1.00 37.76 O +HETATM24097 O HOH A2015 48.784 40.314 144.424 1.00 38.92 O +HETATM24098 O HOH A2034 7.669 60.442 136.007 1.00 43.85 O +HETATM24099 O HOH A2035 30.814 74.657 148.000 1.00 44.43 O +HETATM24100 O HOH A2048 44.360 62.784 139.570 1.00 47.01 O +HETATM24101 O HOH A2071 15.934 64.320 138.122 1.00 42.67 O +HETATM24102 O HOH A2076 25.756 48.628 159.464 1.00 43.51 O +HETATM24103 O HOH A2088 35.750 59.151 138.514 1.00 45.69 O +HETATM24104 O HOH A2111 36.185 67.018 137.269 1.00 43.65 O +HETATM24105 O HOH A2145 44.578 38.550 148.387 1.00 46.80 O +HETATM24106 O HOH A2159 20.541 58.447 136.085 1.00 44.24 O +HETATM24107 O HOH A2173 35.103 61.909 140.547 1.00 44.92 O +HETATM24108 O HOH A2177 44.127 48.203 122.752 1.00 48.76 O +HETATM24109 O HOH A2180 54.096 51.779 137.849 1.00 48.56 O +HETATM24110 O HOH A2184 52.905 53.899 139.020 1.00 47.73 O +HETATM24111 O HOH A2196 34.627 70.790 142.117 1.00 48.07 O +HETATM24112 O HOH A2228 7.329 42.416 138.383 1.00 49.59 O +HETATM24113 O HOH A2244 -2.946 46.919 160.698 1.00 51.29 O +HETATM24114 O HOH A2247 19.775 59.071 158.302 1.00 30.74 O +HETATM24115 O HOH A2248 19.848 55.522 161.516 1.00 37.34 O +HETATM24116 O HOH A2249 32.554 57.369 143.522 1.00 45.96 O +HETATM24117 O HOH B 256 23.874 24.787 166.704 1.00 14.71 O +HETATM24118 O HOH B 257 16.714 38.816 161.870 1.00 15.03 O +HETATM24119 O HOH B 258 13.574 34.659 155.233 1.00 18.89 O +HETATM24120 O HOH B 259 13.655 55.261 183.868 1.00 17.19 O +HETATM24121 O HOH B 260 7.127 42.537 175.631 1.00 17.10 O +HETATM24122 O HOH B 261 37.699 27.623 164.446 1.00 18.39 O +HETATM24123 O HOH B 262 14.908 39.257 171.859 1.00 19.09 O +HETATM24124 O HOH B 263 10.125 56.308 180.718 1.00 21.25 O +HETATM24125 O HOH B 264 14.273 16.980 177.504 1.00 19.01 O +HETATM24126 O HOH B 265 5.311 51.455 182.011 1.00 18.88 O +HETATM24127 O HOH B 266 30.905 47.873 165.834 1.00 19.33 O +HETATM24128 O HOH B 267 36.180 27.187 168.772 1.00 18.44 O +HETATM24129 O HOH B 268 9.329 46.773 168.084 1.00 23.14 O +HETATM24130 O HOH B 269 6.350 53.829 181.659 1.00 21.24 O +HETATM24131 O HOH B 270 25.350 32.295 176.815 1.00 20.54 O +HETATM24132 O HOH B 271 15.475 55.089 186.078 1.00 20.81 O +HETATM24133 O HOH B 272 21.442 29.659 152.555 1.00 21.71 O +HETATM24134 O HOH B 273 19.356 41.496 173.230 1.00 20.90 O +HETATM24135 O HOH B 274 35.789 26.796 166.096 1.00 20.36 O +HETATM24136 O HOH B 275 21.462 29.902 164.275 1.00 20.01 O +HETATM24137 O HOH B 276 8.921 41.129 181.127 1.00 22.18 O +HETATM24138 O HOH B 277 16.566 42.998 167.042 1.00 22.59 O +HETATM24139 O HOH B 287 9.215 53.465 171.470 1.00 22.04 O +HETATM24140 O HOH B 295 10.858 55.022 178.058 1.00 20.12 O +HETATM24141 O HOH B 323 8.785 51.329 184.490 1.00 21.63 O +HETATM24142 O HOH B 328 18.006 28.469 165.484 1.00 23.07 O +HETATM24143 O HOH B 374 39.788 25.585 167.270 1.00 24.07 O +HETATM24144 O HOH B 384 25.217 29.266 170.431 1.00 25.29 O +HETATM24145 O HOH B 386 3.677 54.993 182.124 1.00 26.18 O +HETATM24146 O HOH B 419 29.074 51.175 174.774 1.00 24.62 O +HETATM24147 O HOH B 446 7.786 44.499 183.984 1.00 25.31 O +HETATM24148 O HOH B 451 36.149 37.772 185.802 1.00 24.31 O +HETATM24149 O HOH B 474 44.428 28.225 172.525 1.00 23.80 O +HETATM24150 O HOH B 483 24.767 25.144 156.978 1.00 23.97 O +HETATM24151 O HOH B 485 25.175 31.598 171.661 1.00 26.60 O +HETATM24152 O HOH B 496 7.993 55.978 168.981 1.00 25.04 O +HETATM24153 O HOH B 510 32.223 25.359 158.111 1.00 26.15 O +HETATM24154 O HOH B 512 34.364 21.281 158.795 1.00 23.43 O +HETATM24155 O HOH B 584 13.039 20.848 176.027 1.00 26.95 O +HETATM24156 O HOH B 586 9.068 23.172 174.372 1.00 23.12 O +HETATM24157 O HOH B 594 33.403 52.435 160.499 1.00 26.51 O +HETATM24158 O HOH B 612 24.420 29.204 152.325 1.00 27.00 O +HETATM24159 O HOH B 624 46.589 43.145 165.614 1.00 27.63 O +HETATM24160 O HOH B 642 5.611 39.268 182.156 1.00 25.89 O +HETATM24161 O HOH B 645 24.444 34.796 187.673 1.00 27.20 O +HETATM24162 O HOH B 700 13.946 51.361 189.054 1.00 26.89 O +HETATM24163 O HOH B 704 34.713 36.598 183.588 1.00 28.18 O +HETATM24164 O HOH B 712 17.608 57.883 181.948 1.00 29.39 O +HETATM24165 O HOH B 744 20.668 30.880 172.140 1.00 27.72 O +HETATM24166 O HOH B 746 36.399 40.261 185.667 1.00 27.11 O +HETATM24167 O HOH B 776 5.530 32.834 157.713 1.00 28.36 O +HETATM24168 O HOH B 784 -1.819 24.697 165.787 1.00 29.12 O +HETATM24169 O HOH B 808 21.505 55.218 182.534 1.00 28.76 O +HETATM24170 O HOH B 811 13.616 55.464 177.436 1.00 28.26 O +HETATM24171 O HOH B 827 39.817 45.843 175.032 1.00 28.87 O +HETATM24172 O HOH B 835 39.494 52.161 177.641 1.00 29.37 O +HETATM24173 O HOH B 836 6.267 24.321 164.553 1.00 30.02 O +HETATM24174 O HOH B 848 37.733 20.637 178.865 1.00 29.78 O +HETATM24175 O HOH B 856 -1.650 18.325 176.368 1.00 29.11 O +HETATM24176 O HOH B 876 1.830 39.899 180.102 1.00 29.41 O +HETATM24177 O HOH B 885 12.854 33.962 167.483 1.00 29.31 O +HETATM24178 O HOH B 908 5.402 33.960 159.697 1.00 30.38 O +HETATM24179 O HOH B 929 20.480 26.857 152.244 1.00 28.64 O +HETATM24180 O HOH B 950 0.531 22.822 180.292 1.00 32.78 O +HETATM24181 O HOH B 964 33.637 52.393 179.203 1.00 28.00 O +HETATM24182 O HOH B 965 49.822 48.106 170.196 1.00 33.09 O +HETATM24183 O HOH B 995 26.746 27.594 154.352 1.00 29.53 O +HETATM24184 O HOH B1005 13.385 36.650 170.021 1.00 30.24 O +HETATM24185 O HOH B1009 28.503 28.086 152.750 1.00 29.28 O +HETATM24186 O HOH B1010 43.868 30.895 169.552 1.00 29.47 O +HETATM24187 O HOH B1015 22.457 32.485 183.310 1.00 31.72 O +HETATM24188 O HOH B1035 25.164 46.065 189.776 1.00 29.12 O +HETATM24189 O HOH B1041 3.157 38.825 166.828 1.00 30.70 O +HETATM24190 O HOH B1063 16.289 37.264 172.523 1.00 32.96 O +HETATM24191 O HOH B1077 31.937 53.737 170.059 1.00 33.39 O +HETATM24192 O HOH B1078 18.407 43.499 157.965 1.00 32.02 O +HETATM24193 O HOH B1084 16.110 26.616 151.878 1.00 31.72 O +HETATM24194 O HOH B1095 26.823 51.292 181.237 1.00 30.19 O +HETATM24195 O HOH B1147 22.681 32.962 170.549 1.00 30.52 O +HETATM24196 O HOH B1160 35.680 29.753 156.010 1.00 35.19 O +HETATM24197 O HOH B1185 27.567 21.022 173.952 1.00 31.29 O +HETATM24198 O HOH B1240 27.794 33.144 183.228 1.00 33.50 O +HETATM24199 O HOH B1250 0.433 26.145 165.036 1.00 35.84 O +HETATM24200 O HOH B1252 8.332 38.559 190.532 1.00 34.06 O +HETATM24201 O HOH B1254 36.902 51.436 181.560 1.00 32.13 O +HETATM24202 O HOH B1274 43.540 23.914 172.708 1.00 35.19 O +HETATM24203 O HOH B1281 40.576 20.753 165.383 1.00 39.15 O +HETATM24204 O HOH B1296 -0.910 44.122 173.586 1.00 36.93 O +HETATM24205 O HOH B1301 34.142 50.416 180.506 1.00 32.90 O +HETATM24206 O HOH B1338 36.741 61.316 163.367 1.00 35.36 O +HETATM24207 O HOH B1346 33.989 18.693 158.661 1.00 31.34 O +HETATM24208 O HOH B1350 43.623 37.378 168.113 1.00 37.07 O +HETATM24209 O HOH B1370 32.470 50.022 182.743 1.00 35.87 O +HETATM24210 O HOH B1388 36.570 57.249 161.079 1.00 35.21 O +HETATM24211 O HOH B1439 46.301 31.998 169.208 1.00 35.79 O +HETATM24212 O HOH B1451 34.946 32.262 152.914 1.00 38.39 O +HETATM24213 O HOH B1462 23.742 25.925 169.150 1.00 35.20 O +HETATM24214 O HOH B1474 45.626 24.914 174.000 1.00 34.43 O +HETATM24215 O HOH B1478 37.514 34.521 152.049 1.00 35.05 O +HETATM24216 O HOH B1484 23.539 62.416 181.310 1.00 37.08 O +HETATM24217 O HOH B1507 47.323 33.805 158.857 1.00 32.10 O +HETATM24218 O HOH B1526 3.701 47.185 179.179 1.00 34.74 O +HETATM24219 O HOH B1584 28.881 23.205 155.234 1.00 36.24 O +HETATM24220 O HOH B1592 25.393 53.950 174.812 1.00 41.03 O +HETATM24221 O HOH B1594 22.779 48.141 165.258 1.00 34.14 O +HETATM24222 O HOH B1595 3.659 36.784 178.759 1.00 39.90 O +HETATM24223 O HOH B1605 28.776 54.180 162.460 1.00 33.32 O +HETATM24224 O HOH B1614 3.543 38.154 181.203 1.00 37.93 O +HETATM24225 O HOH B1649 4.893 52.940 169.299 1.00 40.79 O +HETATM24226 O HOH B1665 10.075 32.170 172.596 1.00 37.54 O +HETATM24227 O HOH B1671 29.946 44.457 189.011 1.00 40.52 O +HETATM24228 O HOH B1679 18.097 38.916 181.167 1.00 40.44 O +HETATM24229 O HOH B1680 38.075 57.745 169.392 1.00 36.64 O +HETATM24230 O HOH B1703 19.778 56.432 180.597 1.00 38.21 O +HETATM24231 O HOH B1723 1.362 40.522 160.319 1.00 37.96 O +HETATM24232 O HOH B1740 12.166 58.174 175.254 1.00 35.18 O +HETATM24233 O HOH B1745 24.789 48.983 166.927 1.00 41.50 O +HETATM24234 O HOH B1804 34.939 21.686 179.274 1.00 41.82 O +HETATM24235 O HOH B1808 20.729 41.109 192.707 1.00 36.28 O +HETATM24236 O HOH B1843 5.577 31.257 159.794 1.00 38.16 O +HETATM24237 O HOH B1844 30.807 26.839 152.169 1.00 42.52 O +HETATM24238 O HOH B1849 44.235 26.919 160.262 1.00 39.36 O +HETATM24239 O HOH B1862 2.282 29.594 162.926 1.00 42.37 O +HETATM24240 O HOH B1867 -1.829 35.110 171.985 1.00 40.98 O +HETATM24241 O HOH B1873 10.013 57.609 177.043 1.00 40.33 O +HETATM24242 O HOH B1915 24.277 55.002 179.027 1.00 39.88 O +HETATM24243 O HOH B1929 40.884 38.220 184.549 1.00 42.59 O +HETATM24244 O HOH B1958 41.131 31.744 155.138 1.00 39.52 O +HETATM24245 O HOH B1962 45.886 28.134 183.756 1.00 37.32 O +HETATM24246 O HOH B1980 48.724 35.849 159.362 1.00 41.33 O +HETATM24247 O HOH B1988 43.000 26.663 170.585 1.00 44.10 O +HETATM24248 O HOH B1993 7.379 56.222 179.197 1.00 48.56 O +HETATM24249 O HOH B1999 9.072 23.120 183.234 1.00 39.88 O +HETATM24250 O HOH B2001 0.976 41.385 183.012 1.00 41.06 O +HETATM24251 O HOH B2005 2.460 37.206 164.470 1.00 44.74 O +HETATM24252 O HOH B2010 26.955 49.707 165.641 1.00 43.68 O +HETATM24253 O HOH B2013 5.433 46.471 191.248 1.00 44.34 O +HETATM24254 O HOH B2051 -2.364 31.976 162.509 1.00 43.24 O +HETATM24255 O HOH B2052 13.596 28.017 150.604 1.00 44.33 O +HETATM24256 O HOH B2056 18.161 45.532 188.051 1.00 42.61 O +HETATM24257 O HOH B2070 47.208 53.090 164.258 1.00 46.34 O +HETATM24258 O HOH B2082 20.106 44.097 192.325 1.00 42.56 O +HETATM24259 O HOH B2105 5.121 15.285 182.546 1.00 45.36 O +HETATM24260 O HOH B2137 45.780 45.950 163.317 1.00 48.69 O +HETATM24261 O HOH B2168 46.207 29.704 167.400 1.00 48.75 O +HETATM24262 O HOH B2206 41.012 22.881 167.055 1.00 50.78 O +HETATM24263 O HOH B2211 18.979 28.244 148.514 1.00 51.29 O +HETATM24264 O HOH B2231 46.390 31.164 172.430 1.00 52.16 O +HETATM24265 O HOH B2256 13.505 40.889 177.843 1.00 29.92 O +HETATM24266 O HOH B2258 31.002 46.654 185.151 1.00 32.14 O +HETATM24267 O HOH C 258 27.495 6.694 170.161 1.00 12.84 O +HETATM24268 O HOH C 259 33.652 7.828 181.123 1.00 14.32 O +HETATM24269 O HOH C 260 28.901 10.458 164.711 1.00 17.18 O +HETATM24270 O HOH C 261 33.965 14.079 159.205 1.00 16.30 O +HETATM24271 O HOH C 262 9.789 22.405 162.098 1.00 17.38 O +HETATM24272 O HOH C 263 29.854 9.429 185.716 1.00 16.52 O +HETATM24273 O HOH C 264 20.970 24.717 166.288 1.00 17.47 O +HETATM24274 O HOH C 265 13.828 -3.555 159.524 1.00 19.68 O +HETATM24275 O HOH C 266 23.698 19.391 164.988 1.00 18.72 O +HETATM24276 O HOH C 267 16.169 17.931 175.832 1.00 18.20 O +HETATM24277 O HOH C 268 22.914 8.489 174.646 1.00 18.51 O +HETATM24278 O HOH C 269 19.599 26.148 156.892 1.00 20.46 O +HETATM24279 O HOH C 270 32.970 11.790 187.696 1.00 18.73 O +HETATM24280 O HOH C 271 13.908 1.546 164.962 1.00 19.62 O +HETATM24281 O HOH C 272 28.488 19.608 162.952 1.00 21.03 O +HETATM24282 O HOH C 273 8.308 21.554 159.978 1.00 18.81 O +HETATM24283 O HOH C 274 26.544 20.831 167.108 1.00 21.02 O +HETATM24284 O HOH C 275 22.778 23.563 156.709 1.00 19.72 O +HETATM24285 O HOH C 276 19.291 5.577 189.103 1.00 18.81 O +HETATM24286 O HOH C 277 17.400 29.509 160.989 1.00 22.27 O +HETATM24287 O HOH C 278 10.937 28.847 162.390 1.00 20.75 O +HETATM24288 O HOH C 279 20.694 16.688 170.668 1.00 20.41 O +HETATM24289 O HOH C 280 -5.252 1.154 163.019 1.00 22.77 O +HETATM24290 O HOH C 281 27.181 -5.397 182.019 1.00 24.27 O +HETATM24291 O HOH C 283 18.987 28.713 162.690 1.00 22.62 O +HETATM24292 O HOH C 284 13.355 -1.111 174.241 1.00 21.24 O +HETATM24293 O HOH C 286 15.409 23.182 155.411 1.00 20.95 O +HETATM24294 O HOH C 290 4.938 13.746 179.586 1.00 22.66 O +HETATM24295 O HOH C 293 26.020 20.974 171.725 1.00 22.99 O +HETATM24296 O HOH C 298 26.885 9.261 180.947 1.00 21.57 O +HETATM24297 O HOH C 311 27.386 18.833 153.881 1.00 22.08 O +HETATM24298 O HOH C 318 22.166 19.377 172.784 1.00 21.36 O +HETATM24299 O HOH C 327 18.362 20.317 169.649 1.00 22.51 O +HETATM24300 O HOH C 332 27.744 10.809 174.729 1.00 22.01 O +HETATM24301 O HOH C 359 8.296 22.088 164.609 1.00 23.34 O +HETATM24302 O HOH C 393 34.068 3.019 173.525 1.00 21.76 O +HETATM24303 O HOH C 401 12.881 12.154 150.712 1.00 26.04 O +HETATM24304 O HOH C 409 12.652 18.797 152.545 1.00 22.99 O +HETATM24305 O HOH C 416 32.928 -3.402 177.222 1.00 26.52 O +HETATM24306 O HOH C 421 37.087 10.608 186.936 1.00 23.97 O +HETATM24307 O HOH C 424 34.283 20.393 166.448 1.00 25.46 O +HETATM24308 O HOH C 444 21.957 20.913 153.811 1.00 23.55 O +HETATM24309 O HOH C 455 32.672 26.943 178.003 1.00 22.88 O +HETATM24310 O HOH C 458 40.100 11.039 173.947 1.00 23.23 O +HETATM24311 O HOH C 471 19.972 23.596 168.921 1.00 25.57 O +HETATM24312 O HOH C 472 7.905 3.733 182.593 1.00 24.81 O +HETATM24313 O HOH C 478 29.553 13.147 173.402 1.00 24.74 O +HETATM24314 O HOH C 481 31.074 -2.893 173.414 1.00 24.84 O +HETATM24315 O HOH C 484 15.460 -3.408 167.427 1.00 25.21 O +HETATM24316 O HOH C 490 19.620 0.756 167.962 1.00 23.60 O +HETATM24317 O HOH C 491 6.802 0.143 177.904 1.00 26.95 O +HETATM24318 O HOH C 497 27.803 22.478 157.903 1.00 26.27 O +HETATM24319 O HOH C 527 21.963 1.064 166.784 1.00 25.07 O +HETATM24320 O HOH C 536 -0.816 5.932 159.476 1.00 26.07 O +HETATM24321 O HOH C 558 29.355 -0.644 189.759 1.00 25.62 O +HETATM24322 O HOH C 590 1.008 4.692 157.766 1.00 26.11 O +HETATM24323 O HOH C 597 2.036 16.012 180.587 1.00 25.81 O +HETATM24324 O HOH C 598 32.283 22.566 157.200 1.00 26.76 O +HETATM24325 O HOH C 603 5.703 23.696 161.970 1.00 24.89 O +HETATM24326 O HOH C 604 25.417 11.367 179.252 1.00 24.94 O +HETATM24327 O HOH C 611 29.398 -5.469 183.288 1.00 25.25 O +HETATM24328 O HOH C 616 -0.731 19.300 160.018 1.00 28.58 O +HETATM24329 O HOH C 619 17.671 -4.761 162.972 1.00 25.42 O +HETATM24330 O HOH C 628 11.755 -4.422 168.977 1.00 29.09 O +HETATM24331 O HOH C 648 12.107 2.999 190.254 1.00 23.29 O +HETATM24332 O HOH C 651 22.539 23.297 154.104 1.00 26.48 O +HETATM24333 O HOH C 659 16.811 28.782 170.130 1.00 27.61 O +HETATM24334 O HOH C 685 28.378 5.273 161.115 1.00 26.09 O +HETATM24335 O HOH C 686 35.427 13.612 184.555 1.00 26.70 O +HETATM24336 O HOH C 687 26.077 12.989 174.803 1.00 27.16 O +HETATM24337 O HOH C 688 26.608 20.565 164.372 1.00 28.82 O +HETATM24338 O HOH C 691 20.977 16.041 181.616 1.00 29.54 O +HETATM24339 O HOH C 709 13.893 27.337 155.192 1.00 26.83 O +HETATM24340 O HOH C 726 30.561 6.145 189.030 1.00 26.79 O +HETATM24341 O HOH C 749 2.365 -2.158 173.977 1.00 26.33 O +HETATM24342 O HOH C 752 16.246 25.837 154.592 1.00 28.09 O +HETATM24343 O HOH C 763 0.427 2.323 157.927 1.00 28.19 O +HETATM24344 O HOH C 770 12.422 5.212 189.271 1.00 29.14 O +HETATM24345 O HOH C 779 1.173 18.561 163.006 1.00 27.05 O +HETATM24346 O HOH C 782 18.103 17.945 170.770 1.00 28.40 O +HETATM24347 O HOH C 787 41.957 31.925 183.144 1.00 30.12 O +HETATM24348 O HOH C 825 24.039 -4.346 187.652 1.00 27.04 O +HETATM24349 O HOH C 842 2.796 4.009 170.561 1.00 28.77 O +HETATM24350 O HOH C 850 21.804 -4.253 189.208 1.00 26.96 O +HETATM24351 O HOH C 857 18.726 25.897 154.482 1.00 29.71 O +HETATM24352 O HOH C 866 6.240 -8.057 166.755 1.00 29.16 O +HETATM24353 O HOH C 873 2.839 11.233 181.332 1.00 27.99 O +HETATM24354 O HOH C 880 22.548 -0.302 192.232 1.00 28.73 O +HETATM24355 O HOH C 904 26.321 31.749 181.408 1.00 30.26 O +HETATM24356 O HOH C 933 41.564 5.082 184.451 1.00 31.31 O +HETATM24357 O HOH C 935 19.353 -2.852 162.755 1.00 30.25 O +HETATM24358 O HOH C 943 4.642 1.834 187.153 1.00 29.04 O +HETATM24359 O HOH C 957 17.186 18.063 182.850 1.00 30.40 O +HETATM24360 O HOH C 967 13.244 -0.815 181.216 1.00 33.62 O +HETATM24361 O HOH C 973 14.372 16.166 186.122 1.00 31.28 O +HETATM24362 O HOH C 976 9.682 -12.125 161.949 1.00 31.50 O +HETATM24363 O HOH C 977 38.745 27.837 186.551 1.00 30.17 O +HETATM24364 O HOH C 985 20.332 20.074 151.762 1.00 30.37 O +HETATM24365 O HOH C 989 -1.033 8.707 156.820 1.00 30.00 O +HETATM24366 O HOH C1027 24.852 19.036 152.467 1.00 32.62 O +HETATM24367 O HOH C1034 14.755 19.836 174.276 1.00 27.88 O +HETATM24368 O HOH C1086 1.088 12.152 161.826 1.00 29.11 O +HETATM24369 O HOH C1097 28.087 15.971 184.316 1.00 31.23 O +HETATM24370 O HOH C1126 -2.579 -2.677 168.646 1.00 30.23 O +HETATM24371 O HOH C1137 20.385 -6.161 182.573 1.00 31.71 O +HETATM24372 O HOH C1146 18.768 24.617 159.379 1.00 33.16 O +HETATM24373 O HOH C1157 12.478 12.261 188.764 1.00 33.22 O +HETATM24374 O HOH C1168 38.176 25.551 169.608 1.00 36.07 O +HETATM24375 O HOH C1177 32.352 22.805 176.680 1.00 29.89 O +HETATM24376 O HOH C1183 28.112 -0.156 192.267 1.00 33.18 O +HETATM24377 O HOH C1189 7.740 10.347 184.781 1.00 33.70 O +HETATM24378 O HOH C1191 4.174 -0.746 178.093 1.00 31.20 O +HETATM24379 O HOH C1210 35.284 12.994 186.999 1.00 34.28 O +HETATM24380 O HOH C1226 -1.200 12.455 164.926 1.00 35.09 O +HETATM24381 O HOH C1266 -5.648 -0.805 164.787 1.00 32.66 O +HETATM24382 O HOH C1291 0.342 13.945 152.318 1.00 34.37 O +HETATM24383 O HOH C1293 -0.826 10.484 160.891 1.00 30.53 O +HETATM24384 O HOH C1302 7.602 16.129 150.339 1.00 33.58 O +HETATM24385 O HOH C1311 13.840 -2.056 171.565 1.00 31.89 O +HETATM24386 O HOH C1320 20.233 -2.466 169.346 1.00 32.61 O +HETATM24387 O HOH C1329 30.777 15.950 170.858 1.00 34.01 O +HETATM24388 O HOH C1343 40.144 8.856 189.097 1.00 34.06 O +HETATM24389 O HOH C1352 42.096 19.738 162.999 1.00 34.32 O +HETATM24390 O HOH C1357 28.595 21.398 153.576 1.00 35.68 O +HETATM24391 O HOH C1364 13.933 18.630 179.773 1.00 39.84 O +HETATM24392 O HOH C1366 5.602 28.117 159.449 1.00 35.21 O +HETATM24393 O HOH C1378 14.216 15.991 149.778 1.00 34.17 O +HETATM24394 O HOH C1397 -1.950 18.775 157.264 1.00 34.27 O +HETATM24395 O HOH C1435 20.662 -2.510 160.173 1.00 34.46 O +HETATM24396 O HOH C1447 12.786 1.195 183.810 1.00 36.13 O +HETATM24397 O HOH C1456 23.023 -1.298 166.477 1.00 35.64 O +HETATM24398 O HOH C1480 -0.751 -5.875 161.777 1.00 38.43 O +HETATM24399 O HOH C1482 9.519 6.255 189.084 1.00 36.76 O +HETATM24400 O HOH C1508 9.157 17.825 149.645 1.00 34.13 O +HETATM24401 O HOH C1530 25.784 -7.022 183.633 1.00 34.98 O +HETATM24402 O HOH C1532 18.051 -0.898 166.120 1.00 33.03 O +HETATM24403 O HOH C1547 -1.092 8.791 159.080 1.00 36.21 O +HETATM24404 O HOH C1548 16.275 22.677 157.766 1.00 36.68 O +HETATM24405 O HOH C1551 3.805 29.234 173.211 1.00 35.01 O +HETATM24406 O HOH C1576 -0.751 -8.245 160.004 1.00 39.20 O +HETATM24407 O HOH C1599 16.480 -5.379 179.361 1.00 36.32 O +HETATM24408 O HOH C1607 20.113 2.413 161.667 1.00 34.28 O +HETATM24409 O HOH C1627 15.852 23.929 175.057 1.00 38.12 O +HETATM24410 O HOH C1629 16.672 14.319 188.944 1.00 40.45 O +HETATM24411 O HOH C1663 17.896 -2.759 170.916 1.00 38.48 O +HETATM24412 O HOH C1681 -0.388 21.203 165.262 1.00 35.90 O +HETATM24413 O HOH C1693 17.870 -4.280 186.763 1.00 40.26 O +HETATM24414 O HOH C1698 18.490 -4.388 184.299 1.00 40.03 O +HETATM24415 O HOH C1707 38.728 14.787 186.416 1.00 36.03 O +HETATM24416 O HOH C1746 16.455 21.615 173.619 1.00 38.69 O +HETATM24417 O HOH C1750 26.822 33.353 178.979 1.00 41.50 O +HETATM24418 O HOH C1759 -3.061 12.620 177.004 1.00 38.02 O +HETATM24419 O HOH C1782 19.995 21.818 170.815 1.00 41.81 O +HETATM24420 O HOH C1787 -6.879 -0.938 150.094 1.00 36.84 O +HETATM24421 O HOH C1794 15.762 -0.533 189.479 1.00 41.01 O +HETATM24422 O HOH C1796 42.780 19.998 170.010 1.00 38.94 O +HETATM24423 O HOH C1850 4.691 12.393 183.093 1.00 40.89 O +HETATM24424 O HOH C1869 18.819 -0.266 163.227 1.00 40.24 O +HETATM24425 O HOH C1882 1.683 21.964 163.035 1.00 39.87 O +HETATM24426 O HOH C1888 13.360 30.068 154.652 1.00 41.11 O +HETATM24427 O HOH C1896 25.647 15.270 185.592 1.00 40.55 O +HETATM24428 O HOH C1898 10.863 8.321 190.056 1.00 41.52 O +HETATM24429 O HOH C1901 5.066 17.033 150.423 1.00 40.71 O +HETATM24430 O HOH C1909 37.545 9.405 188.799 1.00 38.19 O +HETATM24431 O HOH C1927 22.438 -3.310 169.994 1.00 40.67 O +HETATM24432 O HOH C1942 1.077 13.193 179.420 1.00 42.02 O +HETATM24433 O HOH C1943 17.497 -4.571 165.735 1.00 40.19 O +HETATM24434 O HOH C1945 -4.942 -3.603 164.869 1.00 43.37 O +HETATM24435 O HOH C1968 40.763 2.203 185.446 1.00 41.05 O +HETATM24436 O HOH C1976 -5.082 -2.478 150.931 1.00 37.78 O +HETATM24437 O HOH C1977 22.204 -7.586 184.088 1.00 43.27 O +HETATM24438 O HOH C1983 32.258 21.808 154.581 1.00 39.87 O +HETATM24439 O HOH C1984 0.126 0.378 180.671 1.00 38.84 O +HETATM24440 O HOH C1989 -4.605 3.978 166.521 1.00 43.40 O +HETATM24441 O HOH C1991 21.003 0.323 160.189 1.00 42.73 O +HETATM24442 O HOH C1995 -1.230 19.147 154.062 1.00 44.16 O +HETATM24443 O HOH C2002 12.439 -4.260 171.512 1.00 38.33 O +HETATM24444 O HOH C2004 29.373 16.156 173.024 1.00 43.60 O +HETATM24445 O HOH C2025 35.369 23.178 181.909 1.00 47.71 O +HETATM24446 O HOH C2044 14.352 20.839 152.019 1.00 39.69 O +HETATM24447 O HOH C2053 28.398 14.254 175.800 1.00 43.95 O +HETATM24448 O HOH C2080 39.562 18.667 157.757 1.00 43.11 O +HETATM24449 O HOH C2100 28.932 -5.670 186.049 1.00 44.14 O +HETATM24450 O HOH C2115 10.210 -4.237 172.636 1.00 41.31 O +HETATM24451 O HOH C2117 22.582 17.783 179.670 1.00 50.23 O +HETATM24452 O HOH C2121 23.496 14.824 181.760 1.00 41.96 O +HETATM24453 O HOH C2135 -8.089 0.191 165.733 1.00 39.82 O +HETATM24454 O HOH C2147 40.464 -0.014 182.848 1.00 47.30 O +HETATM24455 O HOH C2157 15.488 21.338 178.666 1.00 45.58 O +HETATM24456 O HOH C2161 -8.061 17.733 171.244 1.00 47.52 O +HETATM24457 O HOH C2163 9.588 21.772 150.480 1.00 44.72 O +HETATM24458 O HOH C2165 31.294 19.797 150.377 1.00 44.41 O +HETATM24459 O HOH C2176 17.983 21.675 150.397 1.00 45.83 O +HETATM24460 O HOH C2233 -6.314 6.138 168.749 1.00 48.10 O +HETATM24461 O HOH C2236 11.670 27.756 153.357 1.00 47.66 O +HETATM24462 O HOH C2245 -9.334 16.248 169.393 1.00 48.89 O +HETATM24463 O AHOH C2246 1.720 6.400 153.443 0.50 7.50 O +HETATM24464 O BHOH C2246 1.228 6.227 155.076 0.50 9.70 O +HETATM24465 O HOH D 259 26.925 7.547 140.086 1.00 13.52 O +HETATM24466 O HOH D 260 10.306 -8.155 159.567 1.00 23.44 O +HETATM24467 O HOH D 261 16.371 4.551 152.191 1.00 14.29 O +HETATM24468 O HOH D 262 16.294 -2.103 153.096 1.00 13.34 O +HETATM24469 O HOH D 263 8.569 -5.233 154.074 1.00 14.90 O +HETATM24470 O HOH D 264 18.889 9.821 144.953 1.00 15.98 O +HETATM24471 O HOH D 265 16.517 -24.490 154.974 1.00 17.24 O +HETATM24472 O HOH D 266 8.953 -9.990 146.300 1.00 17.03 O +HETATM24473 O HOH D 267 37.897 7.704 145.476 1.00 16.38 O +HETATM24474 O HOH D 268 38.916 5.244 144.526 1.00 16.01 O +HETATM24475 O HOH D 269 14.282 -22.832 155.602 1.00 16.38 O +HETATM24476 O HOH D 270 10.293 -22.263 150.343 1.00 19.34 O +HETATM24477 O HOH D 271 12.879 8.535 141.822 1.00 17.08 O +HETATM24478 O HOH D 272 28.776 -4.983 142.225 1.00 19.50 O +HETATM24479 O HOH D 273 4.434 -0.718 146.069 1.00 21.82 O +HETATM24480 O HOH D 274 12.570 -17.612 158.715 1.00 23.46 O +HETATM24481 O HOH D 275 12.269 -14.086 143.221 1.00 16.64 O +HETATM24482 O HOH D 276 10.679 -18.371 144.596 1.00 18.86 O +HETATM24483 O HOH D 277 26.040 -19.060 139.776 1.00 18.05 O +HETATM24484 O HOH D 278 9.493 -21.034 156.968 1.00 21.10 O +HETATM24485 O HOH D 279 28.945 -2.678 161.871 1.00 18.99 O +HETATM24486 O HOH D 280 14.377 0.771 130.974 1.00 18.05 O +HETATM24487 O HOH D 281 15.671 -10.864 145.980 1.00 19.79 O +HETATM24488 O HOH D 282 7.843 -11.254 158.294 1.00 20.31 O +HETATM24489 O HOH D 283 13.203 0.846 119.731 1.00 22.39 O +HETATM24490 O HOH D 284 21.076 -21.245 158.115 1.00 20.06 O +HETATM24491 O HOH D 285 39.140 8.977 147.450 1.00 19.94 O +HETATM24492 O HOH D 286 23.420 7.049 144.896 1.00 21.60 O +HETATM24493 O HOH D 287 29.727 16.323 143.267 1.00 19.84 O +HETATM24494 O HOH D 288 20.435 -6.588 150.092 1.00 20.72 O +HETATM24495 O HOH D 289 16.514 -4.563 147.347 1.00 18.41 O +HETATM24496 O HOH D 290 32.223 13.462 138.588 1.00 20.45 O +HETATM24497 O HOH D 291 20.470 2.199 140.190 1.00 21.39 O +HETATM24498 O HOH D 292 15.412 -1.959 145.720 1.00 23.94 O +HETATM24499 O HOH D 293 28.687 -0.026 168.768 1.00 22.88 O +HETATM24500 O HOH D 294 39.599 -8.839 158.606 1.00 22.65 O +HETATM24501 O HOH D 295 18.172 -3.581 145.858 1.00 21.28 O +HETATM24502 O HOH D 296 33.439 15.303 146.902 1.00 20.94 O +HETATM24503 O HOH D 315 20.540 6.431 142.227 1.00 22.55 O +HETATM24504 O HOH D 322 45.226 0.909 162.334 1.00 22.56 O +HETATM24505 O HOH D 335 20.890 8.644 143.885 1.00 23.42 O +HETATM24506 O HOH D 337 19.413 -19.623 159.743 1.00 24.61 O +HETATM24507 O HOH D 342 35.434 16.246 158.843 1.00 22.85 O +HETATM24508 O HOH D 344 24.883 0.055 144.869 1.00 22.18 O +HETATM24509 O HOH D 346 49.045 2.602 142.692 1.00 22.58 O +HETATM24510 O HOH D 360 19.280 0.848 129.641 1.00 24.25 O +HETATM24511 O HOH D 367 11.798 13.321 148.798 1.00 22.62 O +HETATM24512 O HOH D 381 27.939 -12.052 160.118 1.00 24.66 O +HETATM24513 O HOH D 395 9.372 -14.496 140.043 1.00 21.54 O +HETATM24514 O HOH D 398 28.997 4.334 159.103 1.00 22.02 O +HETATM24515 O HOH D 407 28.215 2.077 142.448 1.00 24.33 O +HETATM24516 O HOH D 408 7.628 -10.112 139.312 1.00 23.00 O +HETATM24517 O HOH D 410 6.769 -22.119 152.729 1.00 23.07 O +HETATM24518 O HOH D 423 21.288 -21.909 147.003 1.00 24.31 O +HETATM24519 O HOH D 431 26.224 15.752 145.035 1.00 23.06 O +HETATM24520 O HOH D 437 20.585 18.884 147.458 1.00 24.06 O +HETATM24521 O HOH D 439 47.567 2.201 146.049 1.00 22.62 O +HETATM24522 O HOH D 442 28.182 -22.819 148.174 1.00 23.02 O +HETATM24523 O HOH D 450 45.114 3.683 149.473 1.00 27.93 O +HETATM24524 O HOH D 492 27.304 -10.058 161.958 1.00 22.73 O +HETATM24525 O HOH D 501 27.032 -17.977 156.683 1.00 25.06 O +HETATM24526 O HOH D 507 10.098 8.712 135.700 1.00 23.46 O +HETATM24527 O HOH D 520 3.657 -9.408 157.224 1.00 25.81 O +HETATM24528 O HOH D 530 36.510 -17.541 159.333 1.00 23.93 O +HETATM24529 O HOH D 534 29.013 -16.203 139.543 1.00 24.72 O +HETATM24530 O HOH D 562 21.067 17.274 149.980 1.00 25.78 O +HETATM24531 O HOH D 576 10.591 -14.339 165.339 1.00 25.00 O +HETATM24532 O HOH D 592 5.563 0.884 123.353 1.00 24.48 O +HETATM24533 O HOH D 615 52.209 -5.739 147.329 1.00 26.87 O +HETATM24534 O HOH D 626 7.361 -4.213 125.857 1.00 27.31 O +HETATM24535 O HOH D 644 38.531 -14.493 162.502 1.00 27.71 O +HETATM24536 O HOH D 649 29.189 -9.222 165.315 1.00 29.34 O +HETATM24537 O HOH D 655 45.822 1.408 147.638 1.00 24.65 O +HETATM24538 O HOH D 657 6.657 -18.397 158.362 1.00 26.41 O +HETATM24539 O HOH D 660 10.071 -18.150 157.528 1.00 27.92 O +HETATM24540 O HOH D 669 22.891 -4.516 160.722 1.00 27.42 O +HETATM24541 O HOH D 676 49.397 -3.480 138.204 1.00 27.87 O +HETATM24542 O HOH D 678 21.031 -1.381 125.965 1.00 27.33 O +HETATM24543 O HOH D 683 7.682 -12.879 139.223 1.00 27.02 O +HETATM24544 O HOH D 718 21.219 1.439 125.869 1.00 27.66 O +HETATM24545 O HOH D 719 27.597 0.162 143.901 1.00 27.42 O +HETATM24546 O HOH D 720 26.087 -6.557 164.900 1.00 28.17 O +HETATM24547 O HOH D 722 43.448 -0.438 135.112 1.00 27.84 O +HETATM24548 O HOH D 733 33.774 -16.133 158.287 1.00 28.42 O +HETATM24549 O HOH D 737 14.667 1.649 144.638 1.00 29.97 O +HETATM24550 O HOH D 758 10.687 -24.349 148.914 1.00 29.43 O +HETATM24551 O HOH D 760 23.736 -0.559 141.745 1.00 27.32 O +HETATM24552 O HOH D 771 4.244 -23.628 153.128 1.00 27.47 O +HETATM24553 O HOH D 791 35.327 14.895 152.663 1.00 29.16 O +HETATM24554 O HOH D 800 28.297 18.114 150.733 1.00 28.17 O +HETATM24555 O HOH D 815 44.469 1.912 155.436 1.00 27.29 O +HETATM24556 O HOH D 819 26.143 -12.063 144.874 1.00 29.40 O +HETATM24557 O HOH D 820 13.885 0.461 135.154 1.00 27.02 O +HETATM24558 O HOH D 867 47.661 5.954 150.484 1.00 29.64 O +HETATM24559 O HOH D 879 44.577 9.113 142.982 1.00 31.99 O +HETATM24560 O HOH D 892 34.468 17.242 150.868 1.00 43.64 O +HETATM24561 O HOH D 901 27.434 -19.820 154.494 1.00 30.99 O +HETATM24562 O HOH D 923 10.686 -15.850 161.869 1.00 30.88 O +HETATM24563 O HOH D 926 4.427 -6.659 143.862 1.00 28.11 O +HETATM24564 O HOH D 934 5.423 -13.128 140.794 1.00 30.11 O +HETATM24565 O HOH D 948 20.043 -19.428 162.452 1.00 29.51 O +HETATM24566 O HOH D 969 33.200 -18.591 152.547 1.00 29.59 O +HETATM24567 O HOH D 972 48.817 7.835 152.347 1.00 32.03 O +HETATM24568 O HOH D 979 33.505 17.311 145.074 1.00 28.43 O +HETATM24569 O HOH D1001 16.073 -27.308 151.639 1.00 32.87 O +HETATM24570 O HOH D1004 8.746 -18.346 160.001 1.00 27.89 O +HETATM24571 O HOH D1011 43.284 1.001 166.172 1.00 32.00 O +HETATM24572 O HOH D1045 42.119 -13.445 146.408 1.00 32.22 O +HETATM24573 O HOH D1053 17.249 19.296 146.081 1.00 30.92 O +HETATM24574 O HOH D1054 6.409 -20.663 150.444 1.00 28.80 O +HETATM24575 O HOH D1066 43.571 11.276 141.988 1.00 29.26 O +HETATM24576 O HOH D1088 1.806 -9.878 143.581 1.00 29.30 O +HETATM24577 O HOH D1092 45.966 11.154 158.165 1.00 32.86 O +HETATM24578 O HOH D1101 17.858 -8.469 145.268 1.00 31.43 O +HETATM24579 O HOH D1119 -0.595 2.314 144.183 1.00 32.65 O +HETATM24580 O HOH D1133 34.485 -6.128 175.471 1.00 33.04 O +HETATM24581 O HOH D1155 42.206 1.642 155.541 1.00 35.05 O +HETATM24582 O HOH D1167 23.831 -12.840 161.650 1.00 30.37 O +HETATM24583 O HOH D1171 5.398 -18.103 151.116 1.00 33.11 O +HETATM24584 O HOH D1175 17.077 -25.624 150.091 1.00 32.84 O +HETATM24585 O HOH D1178 6.899 9.265 143.137 1.00 31.17 O +HETATM24586 O HOH D1188 -3.004 0.029 143.337 1.00 34.01 O +HETATM24587 O HOH D1200 0.386 -12.308 146.431 1.00 34.74 O +HETATM24588 O HOH D1204 -2.070 1.092 140.259 1.00 32.75 O +HETATM24589 O HOH D1205 17.162 -9.658 165.524 1.00 34.09 O +HETATM24590 O HOH D1211 36.300 16.819 143.519 1.00 33.94 O +HETATM24591 O HOH D1218 33.818 16.803 155.991 1.00 34.88 O +HETATM24592 O HOH D1232 -0.287 -1.507 141.478 1.00 33.02 O +HETATM24593 O HOH D1242 3.440 1.939 145.586 1.00 33.69 O +HETATM24594 O HOH D1246 27.318 4.690 139.871 1.00 33.87 O +HETATM24595 O HOH D1251 21.350 -12.089 144.050 1.00 35.22 O +HETATM24596 O HOH D1259 15.746 -11.063 138.292 1.00 32.19 O +HETATM24597 O HOH D1260 45.568 13.219 161.529 1.00 34.96 O +HETATM24598 O HOH D1298 46.634 -6.235 160.012 1.00 31.55 O +HETATM24599 O HOH D1300 14.570 -28.696 150.123 1.00 35.14 O +HETATM24600 O HOH D1310 45.422 -1.121 148.105 1.00 33.94 O +HETATM24601 O HOH D1312 28.342 -19.447 140.294 1.00 37.12 O +HETATM24602 O HOH D1333 8.937 -17.383 140.054 1.00 34.29 O +HETATM24603 O HOH D1335 42.304 7.899 144.720 1.00 36.45 O +HETATM24604 O HOH D1336 5.896 -20.593 154.262 1.00 29.57 O +HETATM24605 O HOH D1374 15.456 -3.605 121.637 1.00 37.05 O +HETATM24606 O HOH D1377 23.215 -22.158 159.617 1.00 33.89 O +HETATM24607 O HOH D1379 4.436 -17.948 159.924 1.00 33.28 O +HETATM24608 O HOH D1390 5.748 -10.492 160.844 1.00 31.16 O +HETATM24609 O HOH D1402 8.814 -19.153 142.604 1.00 34.22 O +HETATM24610 O HOH D1414 45.062 4.152 161.047 1.00 33.17 O +HETATM24611 O HOH D1424 29.506 -20.308 142.320 1.00 36.43 O +HETATM24612 O HOH D1452 17.573 -23.629 139.076 1.00 34.67 O +HETATM24613 O HOH D1453 30.198 -12.961 163.779 1.00 34.17 O +HETATM24614 O HOH D1471 53.643 -2.160 145.593 1.00 36.63 O +HETATM24615 O HOH D1473 20.898 -23.516 131.784 1.00 37.75 O +HETATM24616 O HOH D1483 13.246 -25.160 147.655 1.00 34.42 O +HETATM24617 O HOH D1486 47.645 -5.109 165.416 1.00 35.85 O +HETATM24618 O HOH D1487 4.271 7.218 139.822 1.00 35.70 O +HETATM24619 O HOH D1496 6.325 -17.227 163.072 1.00 36.80 O +HETATM24620 O HOH D1504 35.004 -20.242 151.838 1.00 34.72 O +HETATM24621 O HOH D1509 36.716 18.017 141.389 1.00 37.15 O +HETATM24622 O HOH D1511 45.346 1.702 158.113 1.00 35.90 O +HETATM24623 O HOH D1515 9.940 -2.190 134.458 1.00 33.99 O +HETATM24624 O HOH D1521 3.514 -3.419 128.151 1.00 36.16 O +HETATM24625 O HOH D1546 2.745 -16.113 159.543 1.00 35.77 O +HETATM24626 O HOH D1563 56.058 0.717 148.091 1.00 37.88 O +HETATM24627 O HOH D1583 23.514 -29.036 148.603 1.00 36.58 O +HETATM24628 O HOH D1634 29.675 -18.477 154.597 1.00 37.15 O +HETATM24629 O HOH D1651 0.909 -3.964 132.239 1.00 36.50 O +HETATM24630 O HOH D1653 30.224 18.443 144.742 1.00 37.43 O +HETATM24631 O HOH D1655 49.172 -13.016 154.812 1.00 36.80 O +HETATM24632 O HOH D1670 18.508 -18.138 139.131 1.00 36.16 O +HETATM24633 O HOH D1684 37.577 -12.357 164.635 1.00 36.83 O +HETATM24634 O HOH D1717 36.894 -16.897 162.400 1.00 40.62 O +HETATM24635 O HOH D1730 5.060 -10.928 137.124 1.00 39.03 O +HETATM24636 O HOH D1736 13.531 -2.289 119.452 1.00 37.51 O +HETATM24637 O HOH D1749 18.694 -21.359 138.662 1.00 39.09 O +HETATM24638 O HOH D1752 0.850 -0.369 143.706 1.00 39.59 O +HETATM24639 O HOH D1755 32.871 3.353 134.539 1.00 38.30 O +HETATM24640 O HOH D1773 32.352 -11.177 140.880 1.00 41.15 O +HETATM24641 O HOH D1778 8.675 16.750 146.341 1.00 37.37 O +HETATM24642 O HOH D1809 37.706 -16.326 144.653 1.00 37.36 O +HETATM24643 O HOH D1811 4.719 -3.149 124.608 1.00 40.84 O +HETATM24644 O HOH D1838 23.171 2.130 161.310 1.00 38.63 O +HETATM24645 O HOH D1848 13.279 -2.023 139.583 1.00 38.80 O +HETATM24646 O HOH D1857 43.446 -11.091 166.326 1.00 40.56 O +HETATM24647 O HOH D1861 33.777 -9.869 170.790 1.00 43.37 O +HETATM24648 O HOH D1865 48.608 -10.003 157.839 1.00 43.59 O +HETATM24649 O HOH D1879 44.331 -15.651 151.161 1.00 39.20 O +HETATM24650 O HOH D1883 47.318 12.953 152.547 1.00 43.37 O +HETATM24651 O HOH D1890 8.595 -6.748 129.376 1.00 38.95 O +HETATM24652 O HOH D1897 34.669 -12.582 168.937 1.00 39.69 O +HETATM24653 O HOH D1903 24.418 -3.572 162.637 1.00 41.94 O +HETATM24654 O HOH D1904 41.091 -2.114 134.778 1.00 41.11 O +HETATM24655 O HOH D1912 29.387 -15.876 136.658 1.00 39.15 O +HETATM24656 O HOH D1913 57.003 -3.566 139.695 1.00 43.79 O +HETATM24657 O HOH D1916 24.794 -16.963 134.512 1.00 38.79 O +HETATM24658 O HOH D1918 6.136 -6.344 127.635 1.00 40.42 O +HETATM24659 O HOH D1923 1.336 -10.660 154.824 1.00 42.39 O +HETATM24660 O HOH D1940 18.788 -9.500 143.583 1.00 39.04 O +HETATM24661 O HOH D1949 1.398 -1.756 133.098 1.00 37.97 O +HETATM24662 O HOH D1950 26.660 -11.538 138.701 1.00 40.43 O +HETATM24663 O HOH D1967 18.304 -11.820 139.287 1.00 42.52 O +HETATM24664 O HOH D2012 52.980 0.939 149.350 1.00 39.89 O +HETATM24665 O HOH D2046 1.814 -6.295 139.982 1.00 46.46 O +HETATM24666 O HOH D2068 25.949 -29.073 148.795 1.00 41.50 O +HETATM24667 O HOH D2069 17.912 -8.462 139.200 1.00 44.75 O +HETATM24668 O HOH D2073 20.035 -14.628 163.956 1.00 46.02 O +HETATM24669 O HOH D2079 18.891 -7.398 141.328 1.00 44.33 O +HETATM24670 O HOH D2093 18.602 0.567 138.550 1.00 46.16 O +HETATM24671 O HOH D2101 48.420 -7.761 158.564 1.00 44.23 O +HETATM24672 O HOH D2146 13.974 -19.642 158.757 1.00 46.85 O +HETATM24673 O HOH D2150 39.619 -15.420 147.420 1.00 47.12 O +HETATM24674 O HOH D2193 18.014 -24.005 141.732 1.00 45.69 O +HETATM24675 O HOH D2194 24.259 -11.257 139.467 1.00 41.49 O +HETATM24676 O HOH D2200 46.402 -10.585 148.519 1.00 48.06 O +HETATM24677 O HOH E 259 46.748 3.680 125.762 1.00 20.00 O +HETATM24678 O HOH E 260 42.557 12.972 121.271 1.00 12.17 O +HETATM24679 O HOH E 261 20.980 15.303 144.599 1.00 14.41 O +HETATM24680 O HOH E 262 34.929 13.856 124.224 1.00 14.57 O +HETATM24681 O HOH E 263 12.410 9.936 134.714 1.00 16.98 O +HETATM24682 O HOH E 264 37.227 18.328 119.542 1.00 16.76 O +HETATM24683 O HOH E 265 22.037 20.297 118.652 1.00 15.42 O +HETATM24684 O HOH E 266 13.071 12.101 136.194 1.00 16.74 O +HETATM24685 O HOH E 267 24.051 7.938 139.274 1.00 17.04 O +HETATM24686 O HOH E 268 34.556 16.573 130.254 1.00 17.95 O +HETATM24687 O HOH E 269 35.821 3.092 121.244 1.00 16.67 O +HETATM24688 O HOH E 270 38.257 -12.221 145.437 1.00 18.45 O +HETATM24689 O HOH E 271 37.348 4.132 105.788 1.00 18.00 O +HETATM24690 O HOH E 272 27.663 11.713 136.209 1.00 17.32 O +HETATM24691 O HOH E 273 39.755 -1.008 119.866 1.00 17.94 O +HETATM24692 O HOH E 274 24.358 16.768 143.367 1.00 19.54 O +HETATM24693 O HOH E 275 26.358 7.916 130.474 1.00 23.46 O +HETATM24694 O HOH E 276 11.583 14.247 136.126 1.00 20.28 O +HETATM24695 O HOH E 277 22.792 2.678 127.742 1.00 17.86 O +HETATM24696 O HOH E 278 11.834 13.536 115.357 1.00 19.50 O +HETATM24697 O HOH E 279 38.016 10.594 139.352 1.00 21.62 O +HETATM24698 O HOH E 280 43.548 12.978 113.796 1.00 19.06 O +HETATM24699 O HOH E 281 23.437 6.825 133.243 1.00 20.04 O +HETATM24700 O HOH E 282 42.447 3.876 121.667 1.00 21.18 O +HETATM24701 O HOH E 283 41.144 -2.187 115.585 1.00 22.80 O +HETATM24702 O HOH E 284 45.810 -9.124 143.807 1.00 20.69 O +HETATM24703 O HOH E 285 16.131 2.146 110.037 1.00 21.77 O +HETATM24704 O HOH E 306 3.595 21.022 113.870 1.00 22.76 O +HETATM24705 O HOH E 308 7.848 -1.345 135.396 1.00 22.76 O +HETATM24706 O HOH E 312 35.252 -1.731 106.262 1.00 22.60 O +HETATM24707 O HOH E 313 29.291 21.821 141.902 1.00 25.10 O +HETATM24708 O HOH E 320 17.702 17.732 141.605 1.00 23.06 O +HETATM24709 O HOH E 331 30.522 9.472 137.453 1.00 24.92 O +HETATM24710 O HOH E 333 33.186 6.857 126.879 1.00 22.20 O +HETATM24711 O HOH E 351 35.186 2.886 104.708 1.00 23.59 O +HETATM24712 O HOH E 389 2.333 6.907 133.447 1.00 24.39 O +HETATM24713 O HOH E 411 17.580 9.025 109.666 1.00 23.88 O +HETATM24714 O HOH E 425 25.625 -7.132 117.690 1.00 24.91 O +HETATM24715 O HOH E 429 41.256 5.635 143.064 1.00 24.07 O +HETATM24716 O HOH E 436 23.774 19.059 144.186 1.00 24.82 O +HETATM24717 O HOH E 440 42.088 -3.749 121.339 1.00 25.43 O +HETATM24718 O HOH E 445 35.086 7.904 125.211 1.00 22.91 O +HETATM24719 O HOH E 460 32.880 9.101 105.718 1.00 24.67 O +HETATM24720 O HOH E 473 6.341 9.060 106.199 1.00 24.32 O +HETATM24721 O HOH E 502 22.779 -5.684 119.918 1.00 25.49 O +HETATM24722 O HOH E 514 26.644 22.689 142.217 1.00 25.39 O +HETATM24723 O HOH E 538 30.507 -2.233 111.541 1.00 23.66 O +HETATM24724 O HOH E 563 31.166 8.770 122.466 1.00 27.45 O +HETATM24725 O HOH E 567 37.760 19.979 137.384 1.00 24.02 O +HETATM24726 O HOH E 571 41.733 10.527 128.481 1.00 25.31 O +HETATM24727 O HOH E 572 7.734 24.621 135.464 1.00 26.77 O +HETATM24728 O HOH E 582 21.932 19.639 111.287 1.00 26.67 O +HETATM24729 O HOH E 585 14.569 4.671 106.779 1.00 27.68 O +HETATM24730 O HOH E 595 23.559 13.366 111.924 1.00 24.96 O +HETATM24731 O HOH E 602 41.272 13.143 107.718 1.00 26.84 O +HETATM24732 O HOH E 617 25.360 0.890 120.456 1.00 27.83 O +HETATM24733 O HOH E 636 47.597 13.410 116.040 1.00 25.21 O +HETATM24734 O HOH E 656 47.633 -7.143 137.531 1.00 28.17 O +HETATM24735 O HOH E 662 34.885 22.491 128.199 1.00 27.97 O +HETATM24736 O HOH E 667 7.306 11.252 141.468 1.00 26.99 O +HETATM24737 O HOH E 681 40.798 15.798 115.661 1.00 27.09 O +HETATM24738 O HOH E 690 17.009 17.085 144.538 1.00 26.74 O +HETATM24739 O HOH E 707 29.970 11.887 138.291 1.00 27.37 O +HETATM24740 O HOH E 731 5.550 18.887 124.098 1.00 25.81 O +HETATM24741 O HOH E 735 30.801 7.181 105.542 1.00 28.51 O +HETATM24742 O HOH E 736 24.582 7.353 108.852 1.00 25.83 O +HETATM24743 O HOH E 741 6.008 22.107 120.885 1.00 28.02 O +HETATM24744 O HOH E 745 46.216 -2.209 122.196 1.00 29.39 O +HETATM24745 O HOH E 753 23.216 -7.248 117.089 1.00 27.77 O +HETATM24746 O HOH E 759 41.587 8.656 108.595 1.00 29.61 O +HETATM24747 O HOH E 764 44.105 -10.030 137.863 1.00 27.73 O +HETATM24748 O HOH E 786 14.437 15.572 144.694 1.00 28.68 O +HETATM24749 O HOH E 788 36.523 8.831 132.237 1.00 27.74 O +HETATM24750 O HOH E 816 30.232 -7.181 142.369 1.00 28.16 O +HETATM24751 O HOH E 818 24.032 4.824 108.890 1.00 27.43 O +HETATM24752 O HOH E 831 32.330 -4.417 139.614 1.00 30.16 O +HETATM24753 O HOH E 839 31.025 4.838 104.501 1.00 29.19 O +HETATM24754 O HOH E 841 44.280 12.379 139.552 1.00 25.90 O +HETATM24755 O HOH E 845 27.627 5.247 131.964 1.00 28.79 O +HETATM24756 O HOH E 852 49.200 -8.380 141.509 1.00 29.85 O +HETATM24757 O HOH E 859 24.087 20.640 142.188 1.00 27.80 O +HETATM24758 O HOH E 860 38.982 9.652 108.116 1.00 26.63 O +HETATM24759 O HOH E 887 52.844 4.038 133.775 1.00 41.46 O +HETATM24760 O HOH E 902 16.861 26.210 137.465 1.00 27.54 O +HETATM24761 O HOH E 906 18.301 3.474 110.953 1.00 32.42 O +HETATM24762 O HOH E 915 14.918 28.237 135.528 1.00 28.90 O +HETATM24763 O HOH E 925 36.092 -3.450 125.454 1.00 29.49 O +HETATM24764 O HOH E 938 43.968 -3.503 123.123 1.00 30.74 O +HETATM24765 O HOH E 941 1.487 -0.147 130.864 1.00 30.22 O +HETATM24766 O HOH E 951 41.392 0.437 109.257 1.00 30.66 O +HETATM24767 O HOH E 954 46.687 8.233 139.412 1.00 31.84 O +HETATM24768 O HOH E 987 13.631 2.209 109.870 1.00 28.40 O +HETATM24769 O HOH E 998 24.252 6.120 137.013 1.00 32.92 O +HETATM24770 O HOH E 999 11.982 0.839 116.053 1.00 29.65 O +HETATM24771 O HOH E1003 31.039 5.376 134.994 1.00 30.76 O +HETATM24772 O HOH E1016 42.733 -4.515 116.523 1.00 30.47 O +HETATM24773 O HOH E1018 23.616 6.922 130.653 1.00 33.77 O +HETATM24774 O HOH E1022 20.733 3.160 129.766 1.00 30.91 O +HETATM24775 O HOH E1051 5.753 12.781 130.794 1.00 31.20 O +HETATM24776 O HOH E1060 23.702 -1.902 109.548 1.00 31.41 O +HETATM24777 O HOH E1065 15.064 22.392 138.514 1.00 29.06 O +HETATM24778 O HOH E1090 24.127 16.261 112.303 1.00 30.05 O +HETATM24779 O HOH E1091 22.084 22.902 142.136 1.00 33.42 O +HETATM24780 O HOH E1094 33.985 3.756 123.337 1.00 32.79 O +HETATM24781 O HOH E1096 25.326 19.244 146.299 1.00 30.54 O +HETATM24782 O HOH E1123 10.259 24.850 135.949 1.00 30.60 O +HETATM24783 O HOH E1127 6.660 16.841 125.740 1.00 32.12 O +HETATM24784 O HOH E1135 7.559 25.157 119.042 1.00 31.98 O +HETATM24785 O HOH E1142 25.009 20.651 113.816 1.00 33.96 O +HETATM24786 O HOH E1163 36.079 7.841 128.824 1.00 32.06 O +HETATM24787 O HOH E1164 40.615 -2.221 108.177 1.00 29.42 O +HETATM24788 O HOH E1169 45.417 1.497 110.993 1.00 33.11 O +HETATM24789 O HOH E1170 11.306 24.715 138.225 1.00 33.73 O +HETATM24790 O HOH E1198 42.110 6.593 106.740 1.00 30.83 O +HETATM24791 O HOH E1209 19.181 -1.800 123.508 1.00 36.50 O +HETATM24792 O HOH E1224 4.656 10.588 108.610 1.00 33.68 O +HETATM24793 O HOH E1234 4.135 13.738 122.881 1.00 34.84 O +HETATM24794 O HOH E1238 7.707 17.995 109.021 1.00 32.84 O +HETATM24795 O HOH E1244 43.303 10.708 107.146 1.00 34.59 O +HETATM24796 O HOH E1249 10.218 -2.280 117.314 1.00 32.43 O +HETATM24797 O HOH E1278 13.851 14.720 147.002 1.00 34.82 O +HETATM24798 O HOH E1305 20.831 16.156 109.105 1.00 35.01 O +HETATM24799 O HOH E1318 12.807 -0.477 109.898 1.00 34.19 O +HETATM24800 O HOH E1327 1.905 17.603 132.134 1.00 31.96 O +HETATM24801 O HOH E1353 26.595 22.645 119.352 1.00 37.65 O +HETATM24802 O HOH E1371 50.230 7.710 130.867 1.00 35.14 O +HETATM24803 O HOH E1393 22.151 -5.702 115.248 1.00 34.99 O +HETATM24804 O HOH E1395 16.045 28.848 137.882 1.00 34.81 O +HETATM24805 O HOH E1404 25.654 10.985 107.675 1.00 36.62 O +HETATM24806 O HOH E1419 17.160 -0.183 109.575 1.00 32.94 O +HETATM24807 O HOH E1429 35.325 8.292 104.512 1.00 37.67 O +HETATM24808 O HOH E1445 49.762 2.246 115.770 1.00 35.87 O +HETATM24809 O HOH E1454 4.433 24.244 131.697 1.00 36.41 O +HETATM24810 O HOH E1460 46.874 8.972 129.796 1.00 36.29 O +HETATM24811 O HOH E1485 47.337 10.086 132.060 1.00 38.04 O +HETATM24812 O HOH E1497 3.362 13.674 129.472 1.00 35.56 O +HETATM24813 O HOH E1516 22.652 -3.911 111.080 1.00 36.07 O +HETATM24814 O HOH E1522 16.914 23.365 107.776 1.00 36.01 O +HETATM24815 O HOH E1525 -1.303 6.665 131.400 1.00 34.02 O +HETATM24816 O HOH E1533 10.408 -1.229 120.596 1.00 36.85 O +HETATM24817 O HOH E1534 41.028 17.209 107.123 1.00 36.10 O +HETATM24818 O HOH E1536 -1.236 5.675 124.104 1.00 37.15 O +HETATM24819 O HOH E1539 15.930 21.786 140.878 1.00 36.82 O +HETATM24820 O HOH E1542 20.023 20.661 144.038 1.00 36.47 O +HETATM24821 O HOH E1561 18.945 5.759 109.196 1.00 36.50 O +HETATM24822 O HOH E1580 3.528 18.473 139.359 1.00 35.51 O +HETATM24823 O HOH E1581 5.122 21.306 123.712 1.00 36.85 O +HETATM24824 O HOH E1630 29.776 20.853 144.643 1.00 38.03 O +HETATM24825 O HOH E1638 5.747 -0.079 120.143 1.00 37.04 O +HETATM24826 O HOH E1641 43.981 -2.129 125.478 1.00 41.59 O +HETATM24827 O HOH E1647 6.907 3.036 117.495 1.00 37.68 O +HETATM24828 O HOH E1662 36.840 -2.890 139.036 1.00 32.39 O +HETATM24829 O HOH E1669 51.846 8.960 132.562 1.00 42.71 O +HETATM24830 O HOH E1676 31.733 15.625 107.762 1.00 34.99 O +HETATM24831 O HOH E1685 4.860 4.028 119.011 1.00 37.35 O +HETATM24832 O HOH E1694 2.996 14.951 131.713 1.00 38.90 O +HETATM24833 O HOH E1724 5.406 10.361 138.779 1.00 41.41 O +HETATM24834 O HOH E1744 14.304 -2.315 116.726 1.00 37.03 O +HETATM24835 O HOH E1754 13.436 16.532 109.043 1.00 39.08 O +HETATM24836 O HOH E1756 9.637 1.035 118.062 1.00 41.93 O +HETATM24837 O HOH E1758 46.551 11.052 139.471 1.00 39.51 O +HETATM24838 O HOH E1770 38.794 -3.412 108.647 1.00 39.18 O +HETATM24839 O HOH E1775 31.863 -4.050 107.979 1.00 39.45 O +HETATM24840 O HOH E1776 33.148 -8.888 116.303 1.00 40.78 O +HETATM24841 O HOH E1781 41.121 -12.770 143.113 1.00 39.16 O +HETATM24842 O HOH E1791 47.539 -3.596 126.331 1.00 37.74 O +HETATM24843 O HOH E1799 36.997 0.324 136.283 1.00 38.35 O +HETATM24844 O HOH E1801 8.242 11.026 136.448 1.00 41.22 O +HETATM24845 O HOH E1807 27.931 11.088 106.716 1.00 40.73 O +HETATM24846 O HOH E1858 6.092 19.044 137.843 1.00 39.20 O +HETATM24847 O HOH E1871 5.253 10.421 129.717 1.00 40.00 O +HETATM24848 O HOH E1878 35.375 6.592 131.425 1.00 40.31 O +HETATM24849 O HOH E1880 17.438 -1.789 114.707 1.00 41.81 O +HETATM24850 O HOH E1887 37.330 6.611 104.966 1.00 38.55 O +HETATM24851 O HOH E1892 30.527 -8.820 139.940 1.00 40.26 O +HETATM24852 O HOH E1905 5.818 3.721 106.599 1.00 39.59 O +HETATM24853 O HOH E1911 5.309 5.972 107.546 1.00 44.57 O +HETATM24854 O HOH E1924 34.534 -5.004 120.172 1.00 41.57 O +HETATM24855 O HOH E1931 50.006 -3.829 128.144 1.00 43.63 O +HETATM24856 O HOH E1932 18.677 -1.125 111.325 1.00 37.66 O +HETATM24857 O HOH E1933 14.542 7.672 106.771 1.00 42.12 O +HETATM24858 O HOH E1937 41.617 18.851 143.868 1.00 40.90 O +HETATM24859 O HOH E1948 19.929 17.286 145.312 1.00 39.84 O +HETATM24860 O HOH E1954 33.653 19.978 145.987 1.00 42.56 O +HETATM24861 O HOH E1956 51.659 8.047 136.767 1.00 44.41 O +HETATM24862 O HOH E1957 51.509 4.408 131.245 1.00 41.50 O +HETATM24863 O HOH E1960 46.924 -11.793 143.192 1.00 43.93 O +HETATM24864 O HOH E1970 28.157 17.289 113.373 1.00 41.49 O +HETATM24865 O HOH E2017 2.059 10.549 125.755 1.00 40.02 O +HETATM24866 O HOH E2019 41.120 -5.057 133.513 1.00 40.54 O +HETATM24867 O HOH E2037 28.786 8.672 103.968 1.00 45.45 O +HETATM24868 O HOH E2065 35.129 -9.215 119.128 1.00 42.56 O +HETATM24869 O HOH E2074 18.516 10.988 108.168 1.00 45.32 O +HETATM24870 O HOH E2116 47.106 -3.578 120.089 1.00 42.49 O +HETATM24871 O HOH E2131 26.819 20.343 117.409 1.00 42.40 O +HETATM24872 O HOH E2132 33.808 -3.284 123.486 1.00 43.61 O +HETATM24873 O HOH E2136 37.898 2.846 131.823 1.00 38.10 O +HETATM24874 O HOH E2143 41.027 -16.024 143.715 1.00 44.70 O +HETATM24875 O HOH E2158 49.685 -3.425 116.167 1.00 41.65 O +HETATM24876 O HOH E2169 43.197 -4.125 131.263 1.00 42.48 O +HETATM24877 O HOH E2178 4.037 16.804 126.369 1.00 45.88 O +HETATM24878 O HOH E2185 41.730 -3.045 129.350 1.00 43.64 O +HETATM24879 O HOH E2191 9.785 22.605 141.015 1.00 51.39 O +HETATM24880 O HOH E2201 46.926 2.164 115.518 1.00 51.38 O +HETATM24881 O HOH E2215 4.619 16.342 116.489 1.00 48.07 O +HETATM24882 O HOH E2220 33.229 -7.064 119.288 1.00 48.66 O +HETATM24883 O HOH E2232 48.412 -3.109 123.409 1.00 48.73 O +HETATM24884 O HOH E2239 28.313 13.831 109.039 1.00 47.60 O +HETATM24885 O HOH E2251 7.767 27.612 112.915 1.00 44.60 O +HETATM24886 O HOH F 256 21.357 29.971 127.731 1.00 11.16 O +HETATM24887 O HOH F 257 30.369 32.492 145.486 1.00 22.84 O +HETATM24888 O HOH F 258 16.418 32.738 116.667 1.00 13.90 O +HETATM24889 O HOH F 259 19.901 46.734 115.012 1.00 17.20 O +HETATM24890 O HOH F 260 22.946 32.297 121.667 1.00 18.38 O +HETATM24891 O HOH F 261 33.760 43.791 128.007 1.00 18.19 O +HETATM24892 O HOH F 262 40.549 35.067 139.550 1.00 19.86 O +HETATM24893 O HOH F 263 16.440 41.799 116.349 1.00 19.48 O +HETATM24894 O HOH F 264 41.840 37.159 138.141 1.00 20.75 O +HETATM24895 O HOH F 265 17.561 32.205 109.220 1.00 18.55 O +HETATM24896 O HOH F 266 21.929 27.648 116.907 1.00 21.09 O +HETATM24897 O HOH F 267 27.283 37.479 120.649 1.00 20.34 O +HETATM24898 O HOH F 268 22.959 25.661 140.796 1.00 19.46 O +HETATM24899 O HOH F 269 23.145 48.169 104.437 1.00 20.53 O +HETATM24900 O HOH F 270 26.318 35.274 135.114 1.00 18.78 O +HETATM24901 O HOH F 271 32.606 37.753 146.004 1.00 21.34 O +HETATM24902 O HOH F 272 19.555 47.454 110.476 1.00 20.82 O +HETATM24903 O HOH F 273 29.025 39.353 138.939 1.00 20.71 O +HETATM24904 O HOH F 274 30.908 47.910 109.811 1.00 21.98 O +HETATM24905 O HOH F 275 21.228 44.133 103.793 1.00 22.05 O +HETATM24906 O HOH F 276 23.376 37.776 135.104 1.00 20.50 O +HETATM24907 O HOH F 296 37.425 31.809 113.299 1.00 22.92 O +HETATM24908 O HOH F 317 22.584 54.466 138.949 1.00 24.30 O +HETATM24909 O HOH F 334 36.630 25.627 120.612 1.00 24.41 O +HETATM24910 O HOH F 343 7.227 56.618 135.197 1.00 26.18 O +HETATM24911 O HOH F 345 37.696 47.626 109.695 1.00 21.52 O +HETATM24912 O HOH F 382 42.034 32.866 140.017 1.00 24.59 O +HETATM24913 O HOH F 388 49.907 22.693 138.655 1.00 25.72 O +HETATM24914 O HOH F 390 10.901 57.325 129.981 1.00 22.25 O +HETATM24915 O HOH F 402 34.900 24.772 127.639 1.00 22.28 O +HETATM24916 O HOH F 415 21.725 33.665 136.392 1.00 24.36 O +HETATM24917 O HOH F 428 47.631 32.368 119.991 1.00 24.17 O +HETATM24918 O HOH F 441 29.469 38.780 129.747 1.00 23.57 O +HETATM24919 O HOH F 447 27.786 46.863 103.664 1.00 24.44 O +HETATM24920 O HOH F 449 22.930 42.934 117.698 1.00 23.63 O +HETATM24921 O HOH F 459 23.501 35.487 136.352 1.00 22.52 O +HETATM24922 O HOH F 493 26.056 40.618 102.863 1.00 23.43 O +HETATM24923 O HOH F 498 45.445 15.708 113.311 1.00 23.40 O +HETATM24924 O HOH F 504 16.480 27.136 133.881 1.00 25.95 O +HETATM24925 O HOH F 528 30.028 24.803 143.225 1.00 24.80 O +HETATM24926 O HOH F 545 31.292 40.005 133.403 1.00 23.74 O +HETATM24927 O HOH F 559 23.883 41.755 132.660 1.00 28.45 O +HETATM24928 O HOH F 560 22.751 38.639 122.549 1.00 27.58 O +HETATM24929 O HOH F 566 9.830 37.392 123.076 1.00 25.76 O +HETATM24930 O HOH F 573 30.289 36.122 104.414 1.00 23.73 O +HETATM24931 O HOH F 581 44.994 45.193 122.746 1.00 26.92 O +HETATM24932 O HOH F 675 37.549 24.986 141.550 1.00 26.63 O +HETATM24933 O HOH F 677 48.523 31.671 113.038 1.00 26.16 O +HETATM24934 O HOH F 705 28.927 26.802 119.070 1.00 25.73 O +HETATM24935 O HOH F 713 11.750 41.975 137.191 1.00 29.23 O +HETATM24936 O HOH F 714 38.784 19.226 139.460 1.00 26.57 O +HETATM24937 O HOH F 761 9.023 41.543 109.668 1.00 25.83 O +HETATM24938 O HOH F 783 51.623 24.482 127.777 1.00 31.06 O +HETATM24939 O HOH F 794 34.672 29.940 143.755 1.00 26.11 O +HETATM24940 O HOH F 795 10.729 39.306 106.884 1.00 24.80 O +HETATM24941 O HOH F 804 8.780 43.762 115.640 1.00 28.25 O +HETATM24942 O HOH F 810 19.755 29.565 111.760 1.00 27.93 O +HETATM24943 O HOH F 821 37.510 50.862 115.644 1.00 27.48 O +HETATM24944 O HOH F 826 32.444 38.037 104.565 1.00 27.12 O +HETATM24945 O HOH F 829 51.137 32.138 138.528 1.00 29.55 O +HETATM24946 O HOH F 832 31.033 27.572 117.774 1.00 29.68 O +HETATM24947 O HOH F 840 9.822 33.252 131.248 1.00 28.66 O +HETATM24948 O HOH F 844 8.651 36.255 125.496 1.00 30.73 O +HETATM24949 O HOH F 854 12.593 59.015 130.441 1.00 29.77 O +HETATM24950 O HOH F 855 45.959 48.058 139.244 1.00 28.02 O +HETATM24951 O HOH F 864 16.672 49.411 115.462 1.00 29.00 O +HETATM24952 O HOH F 881 8.553 42.521 112.033 1.00 27.93 O +HETATM24953 O HOH F 883 47.744 47.285 124.263 1.00 32.28 O +HETATM24954 O HOH F 896 18.508 49.040 131.916 1.00 42.39 O +HETATM24955 O HOH F 900 23.225 35.255 104.925 1.00 27.84 O +HETATM24956 O HOH F 928 46.843 28.050 143.904 1.00 31.36 O +HETATM24957 O HOH F 930 17.145 50.034 133.944 1.00 29.69 O +HETATM24958 O HOH F 936 17.459 46.713 131.646 1.00 30.91 O +HETATM24959 O HOH F 963 30.039 48.264 104.749 1.00 31.47 O +HETATM24960 O HOH F 988 12.374 47.945 115.119 1.00 32.29 O +HETATM24961 O HOH F 997 45.944 22.400 141.133 1.00 31.04 O +HETATM24962 O HOH F1000 27.435 31.116 143.187 1.00 31.14 O +HETATM24963 O HOH F1019 19.345 38.108 128.534 1.00 33.11 O +HETATM24964 O HOH F1030 11.920 49.392 112.660 1.00 30.14 O +HETATM24965 O HOH F1031 24.275 42.647 120.301 1.00 29.61 O +HETATM24966 O HOH F1044 39.120 25.557 113.558 1.00 31.42 O +HETATM24967 O HOH F1049 25.618 48.526 103.625 1.00 27.39 O +HETATM24968 O HOH F1050 28.352 26.903 142.651 1.00 30.86 O +HETATM24969 O HOH F1059 42.150 15.569 110.879 1.00 32.36 O +HETATM24970 O HOH F1062 27.712 28.726 144.293 1.00 30.13 O +HETATM24971 O HOH F1076 34.000 46.290 139.332 1.00 30.93 O +HETATM24972 O HOH F1080 43.826 35.561 112.007 1.00 29.70 O +HETATM24973 O HOH F1081 56.124 24.745 121.873 1.00 32.36 O +HETATM24974 O HOH F1082 50.976 27.812 130.260 1.00 29.83 O +HETATM24975 O HOH F1104 21.973 46.514 102.917 1.00 29.59 O +HETATM24976 O HOH F1105 10.760 34.047 109.998 1.00 33.01 O +HETATM24977 O HOH F1107 29.327 47.513 122.892 1.00 34.06 O +HETATM24978 O HOH F1108 49.289 29.559 131.223 1.00 33.59 O +HETATM24979 O HOH F1118 43.189 22.144 141.101 1.00 31.61 O +HETATM24980 O HOH F1124 35.330 43.612 130.566 1.00 30.92 O +HETATM24981 O HOH F1162 9.239 31.874 133.166 1.00 32.43 O +HETATM24982 O HOH F1180 11.521 49.686 118.866 1.00 33.77 O +HETATM24983 O HOH F1184 13.899 47.665 119.037 1.00 34.46 O +HETATM24984 O HOH F1193 10.305 35.635 104.617 1.00 38.51 O +HETATM24985 O HOH F1195 18.095 27.538 105.838 1.00 30.25 O +HETATM24986 O HOH F1203 32.873 49.391 124.179 1.00 33.14 O +HETATM24987 O HOH F1221 42.311 47.308 116.752 1.00 34.52 O +HETATM24988 O HOH F1231 33.712 30.894 110.588 1.00 30.41 O +HETATM24989 O HOH F1237 36.411 33.017 150.203 1.00 35.28 O +HETATM24990 O HOH F1247 38.662 49.739 111.712 1.00 31.96 O +HETATM24991 O HOH F1253 4.178 37.074 130.889 1.00 33.24 O +HETATM24992 O HOH F1255 31.906 39.803 130.935 1.00 31.46 O +HETATM24993 O HOH F1263 30.495 27.180 115.137 1.00 33.09 O +HETATM24994 O HOH F1271 31.126 49.261 107.473 1.00 34.69 O +HETATM24995 O HOH F1286 37.530 38.199 109.560 1.00 35.20 O +HETATM24996 O HOH F1289 7.709 38.991 132.547 1.00 32.39 O +HETATM24997 O HOH F1306 39.325 39.641 111.159 1.00 36.80 O +HETATM24998 O HOH F1314 13.033 41.891 104.410 1.00 34.14 O +HETATM24999 O HOH F1316 30.856 23.154 123.028 1.00 31.08 O +HETATM25000 O HOH F1330 32.350 40.258 103.463 1.00 32.06 O +HETATM25001 O HOH F1337 20.744 38.812 125.230 1.00 32.00 O +HETATM25002 O HOH F1340 45.130 21.922 112.095 1.00 37.83 O +HETATM25003 O HOH F1344 20.864 36.316 104.428 1.00 31.78 O +HETATM25004 O HOH F1389 27.776 41.735 130.738 1.00 33.57 O +HETATM25005 O HOH F1392 9.064 36.183 120.734 1.00 35.88 O +HETATM25006 O HOH F1400 14.849 41.231 106.315 1.00 34.08 O +HETATM25007 O HOH F1411 22.893 55.537 136.400 1.00 33.18 O +HETATM25008 O HOH F1415 34.127 22.751 115.050 1.00 35.18 O +HETATM25009 O HOH F1423 29.743 41.151 136.732 1.00 35.52 O +HETATM25010 O HOH F1426 17.387 49.457 110.388 1.00 35.24 O +HETATM25011 O HOH F1440 48.937 42.458 112.561 1.00 34.93 O +HETATM25012 O HOH F1449 21.550 49.707 121.077 1.00 35.94 O +HETATM25013 O HOH F1459 40.077 31.458 111.517 1.00 38.53 O +HETATM25014 O HOH F1464 32.620 25.312 118.250 1.00 35.32 O +HETATM25015 O HOH F1491 22.128 26.926 143.861 1.00 35.16 O +HETATM25016 O HOH F1492 21.493 51.586 136.086 1.00 40.60 O +HETATM25017 O HOH F1503 36.247 21.809 141.237 1.00 37.90 O +HETATM25018 O HOH F1510 50.767 38.215 111.313 1.00 37.41 O +HETATM25019 O HOH F1545 15.809 48.806 108.279 1.00 35.12 O +HETATM25020 O HOH F1552 36.427 32.107 147.746 1.00 38.74 O +HETATM25021 O HOH F1562 24.027 39.835 124.154 1.00 37.24 O +HETATM25022 O HOH F1566 41.516 22.443 142.763 1.00 37.19 O +HETATM25023 O HOH F1571 37.745 40.965 109.512 1.00 34.92 O +HETATM25024 O HOH F1575 28.704 45.986 101.380 1.00 34.57 O +HETATM25025 O HOH F1585 33.534 20.312 116.258 1.00 38.79 O +HETATM25026 O HOH F1598 56.549 32.519 122.548 1.00 37.60 O +HETATM25027 O HOH F1612 5.760 39.314 123.672 1.00 36.25 O +HETATM25028 O HOH F1613 47.100 29.805 130.380 1.00 36.04 O +HETATM25029 O HOH F1615 46.538 35.627 111.292 1.00 36.02 O +HETATM25030 O HOH F1643 42.251 47.614 113.755 1.00 36.52 O +HETATM25031 O HOH F1646 52.499 28.970 139.166 1.00 37.85 O +HETATM25032 O HOH F1654 54.365 29.849 123.277 1.00 39.42 O +HETATM25033 O HOH F1659 19.785 25.467 144.967 1.00 36.59 O +HETATM25034 O HOH F1677 8.256 38.372 110.219 1.00 35.88 O +HETATM25035 O HOH F1682 26.504 51.315 104.557 1.00 34.19 O +HETATM25036 O HOH F1689 31.061 30.450 146.652 1.00 36.17 O +HETATM25037 O HOH F1695 10.768 42.827 106.008 1.00 34.87 O +HETATM25038 O HOH F1696 9.576 34.711 133.332 1.00 37.94 O +HETATM25039 O HOH F1706 36.501 29.273 113.594 1.00 38.16 O +HETATM25040 O HOH F1729 16.664 50.839 112.958 1.00 37.27 O +HETATM25041 O HOH F1734 2.445 40.681 126.951 1.00 40.88 O +HETATM25042 O HOH F1741 51.789 19.450 117.006 1.00 40.94 O +HETATM25043 O HOH F1742 52.012 28.144 113.282 1.00 38.45 O +HETATM25044 O HOH F1760 25.718 36.718 103.727 1.00 36.79 O +HETATM25045 O HOH F1764 54.204 43.460 125.706 1.00 42.83 O +HETATM25046 O HOH F1812 52.672 26.285 135.653 1.00 37.93 O +HETATM25047 O HOH F1813 33.681 31.573 141.995 1.00 40.36 O +HETATM25048 O HOH F1820 16.239 52.548 115.980 1.00 39.69 O +HETATM25049 O HOH F1824 15.248 62.430 136.563 1.00 46.11 O +HETATM25050 O HOH F1825 14.431 49.236 116.783 1.00 38.84 O +HETATM25051 O HOH F1834 15.228 36.004 123.175 1.00 43.80 O +HETATM25052 O HOH F1836 4.744 55.823 132.169 1.00 38.83 O +HETATM25053 O HOH F1886 50.222 21.049 125.569 1.00 41.21 O +HETATM25054 O HOH F1893 31.580 30.974 104.843 1.00 40.28 O +HETATM25055 O HOH F1910 30.478 29.088 107.132 1.00 39.89 O +HETATM25056 O HOH F1919 24.950 52.956 135.456 1.00 38.66 O +HETATM25057 O HOH F1930 7.801 35.507 105.487 1.00 38.47 O +HETATM25058 O HOH F1965 44.776 35.947 140.834 1.00 41.68 O +HETATM25059 O HOH F1978 51.358 40.095 139.515 1.00 42.39 O +HETATM25060 O HOH F1979 55.286 35.866 131.228 1.00 42.12 O +HETATM25061 O HOH F2000 44.303 36.241 146.354 1.00 45.25 O +HETATM25062 O HOH F2039 16.703 27.347 142.678 1.00 41.81 O +HETATM25063 O HOH F2041 19.968 34.119 100.814 1.00 39.84 O +HETATM25064 O HOH F2045 42.385 48.888 108.850 1.00 41.58 O +HETATM25065 O HOH F2047 42.736 37.730 111.384 1.00 48.43 O +HETATM25066 O HOH F2057 20.797 33.402 103.174 1.00 44.05 O +HETATM25067 O HOH F2060 37.031 26.607 109.507 1.00 45.91 O +HETATM25068 O HOH F2072 26.386 53.593 114.905 1.00 47.03 O +HETATM25069 O HOH F2077 10.387 28.556 138.728 1.00 42.68 O +HETATM25070 O HOH F2078 30.559 46.010 98.199 1.00 44.74 O +HETATM25071 O HOH F2095 11.965 51.528 120.341 1.00 50.00 O +HETATM25072 O HOH F2097 45.001 47.802 119.520 1.00 41.32 O +HETATM25073 O HOH F2103 27.339 43.118 136.452 1.00 42.74 O +HETATM25074 O HOH F2162 53.049 27.025 115.282 1.00 46.06 O +HETATM25075 O HOH F2166 12.868 28.754 139.051 1.00 42.96 O +HETATM25076 O HOH F2172 19.375 23.300 143.331 1.00 44.27 O +HETATM25077 O HOH F2182 18.132 44.158 126.751 1.00 47.68 O +HETATM25078 O HOH F2189 28.796 51.315 108.109 1.00 46.74 O +HETATM25079 O HOH F2190 42.736 41.954 112.770 1.00 45.93 O +HETATM25080 O HOH F2209 36.313 25.537 143.927 1.00 51.57 O +HETATM25081 O HOH F2213 22.322 43.641 131.634 1.00 50.31 O +HETATM25082 O HOH F2234 2.696 38.627 128.753 1.00 49.87 O +HETATM25083 O HOH F2238 8.830 25.917 141.215 1.00 47.94 O +HETATM25084 O HOH G 257 34.951 108.758 126.892 1.00 14.67 O +HETATM25085 O HOH G 258 27.715 117.461 115.163 1.00 18.21 O +HETATM25086 O HOH G 259 15.260 115.521 115.851 1.00 17.32 O +HETATM25087 O HOH G 260 13.580 92.507 133.872 1.00 18.45 O +HETATM25088 O HOH G 261 18.902 97.631 135.587 1.00 18.61 O +HETATM25089 O HOH G 262 39.985 112.155 138.006 1.00 17.15 O +HETATM25090 O HOH G 263 16.403 113.415 114.583 1.00 19.87 O +HETATM25091 O HOH G 264 33.275 122.130 136.095 1.00 20.40 O +HETATM25092 O HOH G 265 18.847 98.488 117.660 1.00 19.83 O +HETATM25093 O HOH G 266 29.258 116.645 133.496 1.00 23.00 O +HETATM25094 O HOH G 267 24.438 115.670 107.903 1.00 18.17 O +HETATM25095 O HOH G 268 33.422 111.507 132.642 1.00 20.49 O +HETATM25096 O HOH G 269 23.844 117.973 149.296 1.00 21.55 O +HETATM25097 O HOH G 304 33.755 103.835 114.046 1.00 22.67 O +HETATM25098 O HOH G 314 39.728 121.283 137.545 1.00 23.21 O +HETATM25099 O HOH G 369 30.351 113.795 119.109 1.00 22.68 O +HETATM25100 O HOH G 380 33.879 117.558 131.671 1.00 23.95 O +HETATM25101 O HOH G 394 40.070 105.641 120.864 1.00 22.55 O +HETATM25102 O HOH G 422 26.513 110.134 108.773 1.00 23.76 O +HETATM25103 O HOH G 427 30.090 120.626 151.019 1.00 24.61 O +HETATM25104 O HOH G 448 25.265 118.485 120.290 1.00 24.86 O +HETATM25105 O HOH G 452 10.805 95.781 141.828 1.00 24.24 O +HETATM25106 O HOH G 489 34.451 103.067 129.193 1.00 24.11 O +HETATM25107 O HOH G 511 19.552 104.859 134.060 1.00 25.26 O +HETATM25108 O HOH G 515 18.944 111.675 140.943 1.00 25.68 O +HETATM25109 O HOH G 526 22.954 132.364 136.727 1.00 23.09 O +HETATM25110 O HOH G 533 36.567 126.130 138.363 1.00 23.35 O +HETATM25111 O HOH G 544 29.428 108.945 111.001 1.00 25.17 O +HETATM25112 O HOH G 551 34.387 132.797 114.157 1.00 24.44 O +HETATM25113 O HOH G 561 18.715 131.057 137.823 1.00 25.67 O +HETATM25114 O HOH G 568 14.949 111.203 114.126 1.00 26.59 O +HETATM25115 O HOH G 569 36.772 127.442 143.144 1.00 26.25 O +HETATM25116 O HOH G 587 31.970 121.622 133.292 1.00 26.40 O +HETATM25117 O HOH G 591 25.755 115.940 149.688 1.00 26.80 O +HETATM25118 O HOH G 613 35.824 117.526 128.963 1.00 26.51 O +HETATM25119 O HOH G 639 18.404 120.571 144.218 1.00 24.67 O +HETATM25120 O HOH G 643 46.142 135.514 123.184 1.00 27.21 O +HETATM25121 O HOH G 647 27.688 122.236 151.702 1.00 27.52 O +HETATM25122 O HOH G 710 8.902 111.658 134.043 1.00 28.30 O +HETATM25123 O HOH G 728 20.418 131.198 133.420 1.00 27.99 O +HETATM25124 O HOH G 747 20.422 132.506 136.122 1.00 28.40 O +HETATM25125 O HOH G 754 32.408 118.423 129.752 1.00 28.99 O +HETATM25126 O HOH G 755 37.325 116.635 125.576 1.00 29.58 O +HETATM25127 O HOH G 762 6.771 100.975 116.102 1.00 28.44 O +HETATM25128 O HOH G 793 12.497 114.217 108.257 1.00 31.52 O +HETATM25129 O HOH G 797 11.175 126.721 114.004 1.00 28.37 O +HETATM25130 O HOH G 807 24.895 118.392 123.062 1.00 30.86 O +HETATM25131 O HOH G 809 28.712 104.762 111.975 1.00 29.32 O +HETATM25132 O HOH G 813 20.456 110.868 104.459 1.00 31.14 O +HETATM25133 O HOH G 814 27.492 116.652 151.628 1.00 28.46 O +HETATM25134 O HOH G 838 30.981 102.866 113.146 1.00 29.96 O +HETATM25135 O HOH G 843 36.622 109.133 142.704 1.00 28.84 O +HETATM25136 O HOH G 847 38.659 111.998 145.432 1.00 28.63 O +HETATM25137 O HOH G 890 20.754 104.531 139.531 1.00 32.53 O +HETATM25138 O HOH G 891 24.408 111.025 149.692 1.00 39.87 O +HETATM25139 O HOH G 903 33.166 120.266 121.514 1.00 27.69 O +HETATM25140 O HOH G 913 22.571 99.720 138.192 1.00 30.74 O +HETATM25141 O HOH G 917 49.437 134.738 118.115 1.00 30.00 O +HETATM25142 O HOH G 956 43.658 127.502 138.342 1.00 29.91 O +HETATM25143 O HOH G 958 39.137 125.096 122.090 1.00 31.95 O +HETATM25144 O HOH G 960 51.706 134.053 121.494 1.00 31.50 O +HETATM25145 O HOH G 974 18.776 117.805 144.197 1.00 32.91 O +HETATM25146 O HOH G 981 23.058 124.249 133.496 1.00 31.50 O +HETATM25147 O HOH G 982 35.477 129.749 117.066 1.00 29.24 O +HETATM25148 O HOH G 983 21.571 124.538 148.753 1.00 31.25 O +HETATM25149 O HOH G1012 3.770 85.989 132.805 1.00 27.25 O +HETATM25150 O HOH G1029 7.710 112.430 117.679 1.00 31.44 O +HETATM25151 O HOH G1037 9.013 126.311 129.150 1.00 32.33 O +HETATM25152 O HOH G1038 5.182 103.125 126.856 1.00 30.04 O +HETATM25153 O HOH G1057 24.391 123.120 113.122 1.00 31.91 O +HETATM25154 O HOH G1064 5.118 110.697 141.333 1.00 30.93 O +HETATM25155 O HOH G1069 27.106 117.472 124.211 1.00 31.84 O +HETATM25156 O HOH G1070 45.073 119.842 116.762 1.00 30.53 O +HETATM25157 O HOH G1074 20.236 110.092 106.810 1.00 34.97 O +HETATM25158 O HOH G1109 22.774 122.832 125.643 1.00 31.05 O +HETATM25159 O HOH G1111 7.674 111.173 141.099 1.00 35.56 O +HETATM25160 O HOH G1139 16.891 105.576 141.025 1.00 30.54 O +HETATM25161 O HOH G1153 5.814 110.545 115.504 1.00 29.57 O +HETATM25162 O HOH G1158 25.284 127.473 143.828 1.00 33.51 O +HETATM25163 O HOH G1159 4.601 88.085 131.675 1.00 28.36 O +HETATM25164 O HOH G1196 20.478 99.810 113.818 1.00 34.61 O +HETATM25165 O HOH G1207 33.119 116.209 118.868 1.00 33.22 O +HETATM25166 O HOH G1214 26.756 102.740 111.693 1.00 33.90 O +HETATM25167 O HOH G1215 32.744 115.400 149.115 1.00 31.29 O +HETATM25168 O HOH G1216 0.549 103.927 132.561 1.00 33.46 O +HETATM25169 O HOH G1233 47.721 122.415 142.059 1.00 31.88 O +HETATM25170 O HOH G1235 16.231 111.504 142.285 1.00 35.84 O +HETATM25171 O HOH G1256 22.987 109.579 112.426 1.00 36.24 O +HETATM25172 O HOH G1261 39.403 128.822 137.882 1.00 34.41 O +HETATM25173 O HOH G1264 0.081 114.507 138.403 1.00 31.57 O +HETATM25174 O HOH G1265 27.897 124.781 134.708 1.00 36.81 O +HETATM25175 O HOH G1279 8.737 112.583 143.116 1.00 34.86 O +HETATM25176 O HOH G1292 46.909 111.705 123.531 1.00 35.44 O +HETATM25177 O HOH G1295 33.785 127.407 149.886 1.00 35.25 O +HETATM25178 O HOH G1326 9.263 124.351 133.801 1.00 37.23 O +HETATM25179 O HOH G1351 19.503 108.991 140.285 1.00 32.91 O +HETATM25180 O HOH G1355 29.697 126.357 134.413 1.00 31.93 O +HETATM25181 O HOH G1356 18.127 127.182 143.367 1.00 36.84 O +HETATM25182 O HOH G1359 9.005 108.403 123.549 1.00 37.55 O +HETATM25183 O HOH G1361 13.773 100.413 113.645 1.00 31.03 O +HETATM25184 O HOH G1376 47.584 120.750 139.909 1.00 31.26 O +HETATM25185 O HOH G1386 39.530 130.457 140.183 1.00 35.33 O +HETATM25186 O HOH G1391 6.681 116.270 116.396 1.00 33.23 O +HETATM25187 O HOH G1403 41.901 128.911 136.627 1.00 31.96 O +HETATM25188 O HOH G1418 46.375 116.472 131.810 1.00 36.34 O +HETATM25189 O HOH G1421 29.117 134.151 140.178 1.00 35.18 O +HETATM25190 O HOH G1428 4.552 99.392 137.882 1.00 35.50 O +HETATM25191 O HOH G1446 28.111 126.823 150.222 1.00 34.55 O +HETATM25192 O HOH G1489 24.785 100.213 136.828 1.00 38.43 O +HETATM25193 O HOH G1500 28.880 120.555 123.214 1.00 36.50 O +HETATM25194 O HOH G1512 4.492 121.731 131.183 1.00 37.64 O +HETATM25195 O HOH G1541 38.195 127.685 121.493 1.00 38.03 O +HETATM25196 O HOH G1554 35.316 114.042 151.523 1.00 35.59 O +HETATM25197 O HOH G1556 35.114 116.632 149.717 1.00 37.26 O +HETATM25198 O HOH G1557 3.802 101.363 139.467 1.00 41.25 O +HETATM25199 O HOH G1574 16.900 121.102 146.410 1.00 37.70 O +HETATM25200 O HOH G1589 13.605 121.364 140.816 1.00 38.40 O +HETATM25201 O HOH G1623 34.982 128.862 132.208 1.00 39.65 O +HETATM25202 O HOH G1624 5.053 111.424 117.809 1.00 33.83 O +HETATM25203 O HOH G1625 42.502 120.813 147.209 1.00 36.77 O +HETATM25204 O HOH G1628 47.206 110.514 121.773 1.00 33.65 O +HETATM25205 O HOH G1656 18.078 129.389 141.788 1.00 37.33 O +HETATM25206 O HOH G1661 4.641 108.308 114.952 1.00 35.97 O +HETATM25207 O HOH G1672 17.948 116.809 109.098 1.00 38.73 O +HETATM25208 O HOH G1674 18.403 127.077 128.981 1.00 40.24 O +HETATM25209 O HOH G1690 6.400 100.813 127.235 1.00 40.34 O +HETATM25210 O HOH G1691 12.162 115.723 141.560 1.00 38.22 O +HETATM25211 O HOH G1699 37.242 101.217 111.785 1.00 41.69 O +HETATM25212 O HOH G1712 4.043 97.471 134.749 1.00 38.18 O +HETATM25213 O HOH G1713 34.787 118.654 151.267 1.00 35.66 O +HETATM25214 O HOH G1719 48.241 129.642 133.282 1.00 36.34 O +HETATM25215 O HOH G1757 47.630 115.206 129.157 1.00 39.00 O +HETATM25216 O HOH G1765 33.885 134.235 116.681 1.00 39.95 O +HETATM25217 O HOH G1768 28.743 114.316 153.284 1.00 36.70 O +HETATM25218 O HOH G1785 8.808 114.900 114.873 1.00 38.14 O +HETATM25219 O HOH G1792 22.364 129.518 129.955 1.00 37.69 O +HETATM25220 O HOH G1805 25.074 109.505 147.543 1.00 40.13 O +HETATM25221 O HOH G1816 26.853 119.086 117.259 1.00 38.84 O +HETATM25222 O HOH G1823 22.327 124.744 114.359 1.00 39.81 O +HETATM25223 O HOH G1845 4.378 106.320 113.898 1.00 40.34 O +HETATM25224 O HOH G1846 17.229 107.917 141.873 1.00 42.06 O +HETATM25225 O HOH G1870 8.518 106.316 108.965 1.00 35.77 O +HETATM25226 O HOH G1874 24.103 102.668 134.753 1.00 42.10 O +HETATM25227 O HOH G1875 49.453 130.896 131.446 1.00 41.88 O +HETATM25228 O HOH G1891 45.550 121.689 135.593 1.00 40.58 O +HETATM25229 O HOH G1894 40.523 108.729 147.004 1.00 43.10 O +HETATM25230 O HOH G1900 35.360 124.174 149.038 1.00 41.78 O +HETATM25231 O HOH G1917 10.021 106.162 110.742 1.00 40.41 O +HETATM25232 O HOH G1922 7.481 99.257 124.469 1.00 41.72 O +HETATM25233 O HOH G1935 47.380 123.225 138.302 1.00 44.00 O +HETATM25234 O HOH G1946 18.793 103.086 112.893 1.00 38.27 O +HETATM25235 O HOH G1997 54.266 119.818 126.929 1.00 44.24 O +HETATM25236 O HOH G2016 52.872 115.681 123.186 1.00 42.69 O +HETATM25237 O HOH G2020 3.889 125.600 115.933 1.00 38.84 O +HETATM25238 O HOH G2021 50.621 120.596 120.289 1.00 41.47 O +HETATM25239 O HOH G2023 50.116 117.945 131.122 1.00 41.37 O +HETATM25240 O HOH G2024 46.804 113.082 121.243 1.00 41.54 O +HETATM25241 O HOH G2040 50.128 123.394 131.378 1.00 41.83 O +HETATM25242 O HOH G2054 43.999 137.599 122.530 1.00 42.06 O +HETATM25243 O HOH G2063 11.432 127.176 133.632 1.00 45.95 O +HETATM25244 O HOH G2075 30.113 117.345 151.327 1.00 42.51 O +HETATM25245 O HOH G2089 0.519 119.035 115.174 1.00 40.45 O +HETATM25246 O HOH G2096 36.050 129.062 126.603 1.00 40.99 O +HETATM25247 O HOH G2098 7.640 124.112 130.905 1.00 45.08 O +HETATM25248 O HOH G2122 40.169 100.742 113.078 1.00 42.59 O +HETATM25249 O HOH G2125 38.203 127.174 125.798 1.00 43.26 O +HETATM25250 O HOH G2127 3.350 126.405 113.297 1.00 46.62 O +HETATM25251 O HOH G2155 38.126 122.325 126.977 1.00 51.36 O +HETATM25252 O HOH G2164 50.728 114.320 123.039 1.00 38.02 O +HETATM25253 O HOH G2181 42.099 127.301 134.733 1.00 43.52 O +HETATM25254 O HOH G2197 42.337 130.249 125.637 1.00 47.84 O +HETATM25255 O HOH G2222 42.670 128.749 129.760 1.00 47.45 O +HETATM25256 O HOH G2226 20.541 103.599 111.034 1.00 38.00 O +HETATM25257 O HOH G2227 53.769 117.409 125.511 1.00 49.63 O +HETATM25258 O HOH G2250 5.590 106.734 124.079 1.00 34.22 O +HETATM25259 O HOH G2253 22.989 108.421 107.913 1.00 31.86 O +HETATM25260 O HOH H 255 32.658 86.133 116.585 1.00 13.67 O +HETATM25261 O HOH H 256 43.476 90.262 119.635 1.00 15.13 O +HETATM25262 O HOH H 257 44.296 88.462 121.295 1.00 14.08 O +HETATM25263 O HOH H 258 32.612 93.088 143.666 1.00 15.17 O +HETATM25264 O HOH H 259 21.469 92.878 131.112 1.00 16.34 O +HETATM25265 O HOH H 260 25.453 77.274 144.515 1.00 15.69 O +HETATM25266 O HOH H 261 25.202 87.934 133.390 1.00 16.84 O +HETATM25267 O HOH H 262 14.623 77.461 140.491 1.00 18.04 O +HETATM25268 O HOH H 263 21.932 95.364 125.000 1.00 17.28 O +HETATM25269 O HOH H 264 16.511 78.478 136.198 1.00 19.47 O +HETATM25270 O HOH H 265 44.889 92.687 119.484 1.00 18.77 O +HETATM25271 O HOH H 266 33.690 81.632 128.252 1.00 18.58 O +HETATM25272 O HOH H 267 30.181 86.691 125.427 1.00 18.72 O +HETATM25273 O HOH H 268 21.356 86.647 130.350 1.00 18.87 O +HETATM25274 O HOH H 269 35.797 93.184 110.806 1.00 22.19 O +HETATM25275 O HOH H 270 13.655 83.326 134.039 1.00 21.66 O +HETATM25276 O HOH H 271 25.704 83.689 120.940 1.00 19.80 O +HETATM25277 O HOH H 272 14.393 80.308 146.894 1.00 22.53 O +HETATM25278 O HOH H 273 28.969 90.151 119.389 1.00 19.26 O +HETATM25279 O HOH H 274 13.493 75.798 134.881 1.00 19.19 O +HETATM25280 O HOH H 275 34.256 106.871 138.045 1.00 21.12 O +HETATM25281 O HOH H 276 20.749 82.605 151.222 1.00 21.42 O +HETATM25282 O HOH H 277 27.383 99.990 113.012 1.00 21.94 O +HETATM25283 O HOH H 278 18.671 84.336 149.782 1.00 19.89 O +HETATM25284 O HOH H 279 43.044 93.645 147.249 1.00 21.37 O +HETATM25285 O HOH H 280 34.102 99.692 136.477 1.00 22.17 O +HETATM25286 O HOH H 281 18.665 88.746 116.119 1.00 21.19 O +HETATM25287 O HOH H 282 38.047 87.837 110.878 1.00 21.66 O +HETATM25288 O HOH H 300 20.728 78.260 149.687 1.00 22.05 O +HETATM25289 O HOH H 340 11.752 92.158 118.126 1.00 21.69 O +HETATM25290 O HOH H 352 37.101 91.071 147.399 1.00 22.72 O +HETATM25291 O HOH H 354 12.769 92.858 141.432 1.00 23.23 O +HETATM25292 O HOH H 356 15.422 77.039 121.772 1.00 21.17 O +HETATM25293 O HOH H 357 25.354 86.958 150.138 1.00 22.58 O +HETATM25294 O HOH H 372 43.896 86.636 114.097 1.00 24.86 O +HETATM25295 O HOH H 373 9.547 77.084 133.869 1.00 22.86 O +HETATM25296 O HOH H 400 31.110 100.362 141.421 1.00 24.05 O +HETATM25297 O HOH H 404 26.238 98.609 135.369 1.00 24.04 O +HETATM25298 O HOH H 414 25.306 106.950 136.713 1.00 23.38 O +HETATM25299 O HOH H 417 51.020 91.476 125.579 1.00 25.09 O +HETATM25300 O HOH H 418 37.255 83.113 145.427 1.00 25.43 O +HETATM25301 O HOH H 426 25.973 87.560 118.396 1.00 22.98 O +HETATM25302 O HOH H 432 11.002 68.561 113.260 1.00 24.42 O +HETATM25303 O HOH H 476 31.731 86.950 147.000 1.00 27.74 O +HETATM25304 O HOH H 486 23.097 85.840 128.527 1.00 24.09 O +HETATM25305 O HOH H 488 44.270 93.003 140.499 1.00 24.93 O +HETATM25306 O HOH H 495 48.678 77.350 121.340 1.00 25.27 O +HETATM25307 O HOH H 513 9.489 87.921 125.911 1.00 25.05 O +HETATM25308 O HOH H 529 33.249 85.474 122.480 1.00 27.07 O +HETATM25309 O HOH H 535 17.008 76.632 147.691 1.00 25.38 O +HETATM25310 O HOH H 537 7.702 69.744 115.111 1.00 25.51 O +HETATM25311 O HOH H 539 20.204 82.260 134.807 1.00 25.60 O +HETATM25312 O HOH H 541 34.317 100.810 129.081 1.00 25.48 O +HETATM25313 O HOH H 543 30.055 100.771 112.979 1.00 24.73 O +HETATM25314 O HOH H 546 42.658 80.045 136.649 1.00 26.07 O +HETATM25315 O HOH H 547 20.213 87.492 123.345 1.00 28.04 O +HETATM25316 O HOH H 555 14.907 78.135 147.854 1.00 26.27 O +HETATM25317 O HOH H 574 39.407 95.679 113.737 1.00 26.13 O +HETATM25318 O HOH H 577 12.065 93.327 116.241 1.00 24.25 O +HETATM25319 O HOH H 599 16.882 89.890 147.063 1.00 23.27 O +HETATM25320 O HOH H 600 19.887 75.309 117.461 1.00 25.12 O +HETATM25321 O HOH H 607 31.793 84.080 146.940 1.00 28.26 O +HETATM25322 O HOH H 614 32.475 94.745 111.984 1.00 28.49 O +HETATM25323 O HOH H 618 39.858 95.240 110.951 1.00 27.78 O +HETATM25324 O HOH H 631 15.435 95.714 139.582 1.00 28.80 O +HETATM25325 O HOH H 632 50.426 101.256 134.647 1.00 28.93 O +HETATM25326 O HOH H 637 14.563 88.678 146.772 1.00 25.22 O +HETATM25327 O HOH H 653 11.782 75.847 132.990 1.00 26.79 O +HETATM25328 O HOH H 654 27.698 106.127 135.466 1.00 26.41 O +HETATM25329 O HOH H 671 16.606 69.341 143.890 1.00 28.06 O +HETATM25330 O HOH H 672 12.869 75.375 139.803 1.00 26.29 O +HETATM25331 O HOH H 682 38.470 89.255 146.333 1.00 29.63 O +HETATM25332 O HOH H 695 32.956 98.583 112.900 1.00 26.92 O +HETATM25333 O HOH H 708 24.476 73.611 116.738 1.00 25.24 O +HETATM25334 O HOH H 734 9.359 82.942 129.906 1.00 27.99 O +HETATM25335 O HOH H 751 47.712 95.845 130.154 1.00 26.39 O +HETATM25336 O HOH H 766 29.525 72.836 138.047 1.00 29.04 O +HETATM25337 O HOH H 769 10.558 80.751 145.898 1.00 28.59 O +HETATM25338 O HOH H 773 32.013 77.377 146.583 1.00 26.20 O +HETATM25339 O HOH H 774 28.715 83.621 124.092 1.00 28.72 O +HETATM25340 O HOH H 777 41.550 106.336 119.363 1.00 27.95 O +HETATM25341 O HOH H 789 9.290 70.787 119.295 1.00 30.66 O +HETATM25342 O HOH H 799 18.774 76.477 149.227 1.00 31.34 O +HETATM25343 O HOH H 805 5.206 79.991 119.887 1.00 29.13 O +HETATM25344 O HOH H 817 53.524 87.383 142.191 1.00 28.12 O +HETATM25345 O HOH H 824 34.763 100.542 113.004 1.00 28.84 O +HETATM25346 O HOH H 828 37.916 93.914 115.082 1.00 32.12 O +HETATM25347 O HOH H 862 7.731 75.043 118.556 1.00 29.16 O +HETATM25348 O HOH H 863 27.629 78.165 131.417 1.00 29.71 O +HETATM25349 O HOH H 865 13.200 67.837 119.323 1.00 29.29 O +HETATM25350 O HOH H 870 10.618 89.204 146.498 1.00 29.18 O +HETATM25351 O HOH H 872 54.299 84.992 122.785 1.00 29.09 O +HETATM25352 O HOH H 874 26.520 71.108 114.396 1.00 31.12 O +HETATM25353 O HOH H 886 37.195 86.515 147.157 1.00 36.77 O +HETATM25354 O HOH H 911 50.242 95.925 129.891 1.00 32.37 O +HETATM25355 O HOH H 916 18.678 68.684 142.425 1.00 30.52 O +HETATM25356 O HOH H 919 52.569 87.637 124.847 1.00 30.23 O +HETATM25357 O HOH H 921 22.506 82.586 132.808 1.00 27.86 O +HETATM25358 O HOH H 924 33.950 99.295 143.999 1.00 31.69 O +HETATM25359 O HOH H 931 32.181 96.004 143.020 1.00 29.96 O +HETATM25360 O HOH H 932 23.431 88.981 149.721 1.00 29.39 O +HETATM25361 O HOH H 946 15.171 92.970 147.785 1.00 32.83 O +HETATM25362 O HOH H 949 19.061 78.866 120.001 1.00 28.47 O +HETATM25363 O HOH H 955 52.951 100.323 141.622 1.00 29.58 O +HETATM25364 O HOH H 959 32.704 85.760 125.145 1.00 29.49 O +HETATM25365 O HOH H 970 47.750 89.483 119.445 1.00 32.27 O +HETATM25366 O HOH H 978 37.994 77.689 141.413 1.00 30.43 O +HETATM25367 O HOH H1021 35.611 78.685 122.621 1.00 32.82 O +HETATM25368 O HOH H1052 57.606 84.573 132.478 1.00 29.68 O +HETATM25369 O HOH H1068 41.707 100.430 116.912 1.00 30.29 O +HETATM25370 O HOH H1106 14.951 89.655 127.202 1.00 31.30 O +HETATM25371 O HOH H1113 50.778 87.823 128.796 1.00 32.61 O +HETATM25372 O HOH H1117 29.488 104.917 139.442 1.00 31.67 O +HETATM25373 O HOH H1129 34.411 93.139 146.127 1.00 32.99 O +HETATM25374 O HOH H1131 27.809 97.802 137.185 1.00 34.45 O +HETATM25375 O HOH H1132 5.729 83.731 133.659 1.00 31.97 O +HETATM25376 O HOH H1152 35.859 96.601 107.743 1.00 30.42 O +HETATM25377 O HOH H1186 44.275 78.917 138.719 1.00 30.69 O +HETATM25378 O HOH H1190 20.946 70.157 142.388 1.00 29.78 O +HETATM25379 O HOH H1192 15.586 83.479 112.699 1.00 31.51 O +HETATM25380 O HOH H1219 36.768 95.519 109.970 1.00 31.89 O +HETATM25381 O HOH H1222 33.274 75.169 144.899 1.00 32.23 O +HETATM25382 O HOH H1223 21.057 71.770 133.871 1.00 33.95 O +HETATM25383 O HOH H1236 40.567 107.195 117.019 1.00 33.00 O +HETATM25384 O HOH H1245 34.581 81.251 124.115 1.00 31.10 O +HETATM25385 O HOH H1248 8.514 93.121 139.131 1.00 32.24 O +HETATM25386 O HOH H1257 20.146 86.563 127.085 1.00 35.98 O +HETATM25387 O HOH H1268 51.271 93.117 131.950 1.00 30.93 O +HETATM25388 O HOH H1269 47.349 105.580 144.731 1.00 34.15 O +HETATM25389 O HOH H1276 32.748 97.066 110.600 1.00 37.93 O +HETATM25390 O HOH H1280 24.030 81.767 121.521 1.00 33.04 O +HETATM25391 O HOH H1290 8.659 90.972 146.808 1.00 32.90 O +HETATM25392 O HOH H1299 18.027 97.437 115.554 1.00 37.02 O +HETATM25393 O HOH H1317 11.870 77.132 130.640 1.00 36.41 O +HETATM25394 O HOH H1328 8.376 75.447 130.026 1.00 34.05 O +HETATM25395 O HOH H1331 29.628 99.951 137.297 1.00 35.25 O +HETATM25396 O HOH H1394 45.306 93.613 148.882 1.00 32.49 O +HETATM25397 O HOH H1427 10.427 83.095 142.323 1.00 36.89 O +HETATM25398 O HOH H1436 52.047 102.623 123.609 1.00 39.33 O +HETATM25399 O HOH H1457 12.570 76.458 147.271 1.00 35.51 O +HETATM25400 O HOH H1463 21.199 85.394 124.386 1.00 36.19 O +HETATM25401 O HOH H1468 46.473 103.435 118.633 1.00 35.67 O +HETATM25402 O HOH H1470 35.021 96.299 146.276 1.00 32.15 O +HETATM25403 O HOH H1479 46.310 96.673 148.150 1.00 33.78 O +HETATM25404 O HOH H1481 12.901 74.462 137.119 1.00 39.05 O +HETATM25405 O HOH H1494 26.264 70.101 117.004 1.00 35.99 O +HETATM25406 O HOH H1499 27.297 98.856 110.332 1.00 38.54 O +HETATM25407 O HOH H1517 39.848 104.330 117.384 1.00 37.25 O +HETATM25408 O HOH H1519 26.975 78.726 128.110 1.00 35.97 O +HETATM25409 O HOH H1520 35.935 81.951 126.684 1.00 36.14 O +HETATM25410 O HOH H1540 4.444 82.427 135.619 1.00 39.02 O +HETATM25411 O HOH H1553 40.784 89.845 148.091 1.00 41.34 O +HETATM25412 O HOH H1555 27.297 73.993 131.374 1.00 34.38 O +HETATM25413 O HOH H1569 14.061 71.594 136.709 1.00 37.79 O +HETATM25414 O HOH H1572 15.771 74.443 121.398 1.00 39.22 O +HETATM25415 O HOH H1587 54.479 78.321 125.942 1.00 37.45 O +HETATM25416 O HOH H1588 33.066 73.653 135.270 1.00 38.25 O +HETATM25417 O HOH H1590 23.176 70.792 143.263 1.00 36.37 O +HETATM25418 O HOH H1593 9.318 89.344 122.815 1.00 34.56 O +HETATM25419 O HOH H1596 13.529 90.995 147.957 1.00 38.72 O +HETATM25420 O HOH H1600 28.544 104.237 137.216 1.00 37.48 O +HETATM25421 O HOH H1601 28.785 81.564 120.575 1.00 34.62 O +HETATM25422 O HOH H1606 51.959 106.507 123.450 1.00 40.13 O +HETATM25423 O HOH H1609 51.335 90.592 112.911 1.00 39.81 O +HETATM25424 O HOH H1617 7.650 89.008 127.530 1.00 36.10 O +HETATM25425 O HOH H1626 32.976 74.087 132.410 1.00 36.09 O +HETATM25426 O HOH H1632 32.333 82.790 149.652 1.00 35.51 O +HETATM25427 O HOH H1636 44.450 101.085 147.813 1.00 38.54 O +HETATM25428 O HOH H1637 42.109 93.594 110.627 1.00 36.19 O +HETATM25429 O HOH H1639 22.146 75.682 136.050 1.00 40.05 O +HETATM25430 O HOH H1640 12.189 68.849 145.707 1.00 37.44 O +HETATM25431 O HOH H1645 29.189 101.737 132.410 1.00 35.07 O +HETATM25432 O HOH H1658 5.580 90.468 139.169 1.00 37.17 O +HETATM25433 O HOH H1660 56.130 88.537 131.184 1.00 38.42 O +HETATM25434 O HOH H1666 22.495 70.148 140.499 1.00 37.50 O +HETATM25435 O HOH H1686 31.514 75.938 131.520 1.00 39.40 O +HETATM25436 O HOH H1692 53.790 99.310 127.129 1.00 37.94 O +HETATM25437 O HOH H1702 51.076 88.947 126.429 1.00 38.42 O +HETATM25438 O HOH H1714 52.441 102.693 135.477 1.00 39.82 O +HETATM25439 O HOH H1718 28.985 75.916 130.971 1.00 39.12 O +HETATM25440 O HOH H1739 51.282 100.189 131.732 1.00 38.89 O +HETATM25441 O HOH H1771 53.358 93.139 123.947 1.00 39.00 O +HETATM25442 O HOH H1797 32.464 84.482 119.010 1.00 37.98 O +HETATM25443 O HOH H1798 14.970 67.816 145.404 1.00 38.63 O +HETATM25444 O HOH H1817 6.747 75.053 128.056 1.00 39.85 O +HETATM25445 O HOH H1818 7.036 78.762 140.083 1.00 40.17 O +HETATM25446 O HOH H1827 14.200 72.019 140.289 1.00 39.65 O +HETATM25447 O HOH H1828 13.293 70.578 132.328 1.00 41.15 O +HETATM25448 O HOH H1832 39.711 75.698 135.066 1.00 41.75 O +HETATM25449 O HOH H1833 13.676 72.552 134.084 1.00 41.79 O +HETATM25450 O HOH H1841 53.681 104.383 125.530 1.00 42.22 O +HETATM25451 O HOH H1863 45.953 100.218 113.934 1.00 37.93 O +HETATM25452 O HOH H1864 52.496 81.380 137.005 1.00 39.77 O +HETATM25453 O HOH H1868 28.511 94.045 145.082 1.00 42.17 O +HETATM25454 O HOH H1876 48.880 103.832 134.833 1.00 41.86 O +HETATM25455 O HOH H1899 15.351 64.786 134.378 1.00 44.58 O +HETATM25456 O HOH H1902 4.897 83.196 138.989 1.00 38.33 O +HETATM25457 O HOH H1914 5.031 77.074 134.941 1.00 39.45 O +HETATM25458 O HOH H1928 36.998 74.682 141.017 1.00 40.43 O +HETATM25459 O HOH H1952 49.145 89.172 114.698 1.00 40.85 O +HETATM25460 O HOH H1953 52.855 94.467 128.909 1.00 40.00 O +HETATM25461 O HOH H1975 4.869 83.683 124.030 1.00 42.06 O +HETATM25462 O HOH H1985 21.745 99.833 144.027 1.00 43.35 O +HETATM25463 O HOH H1987 6.024 86.281 124.461 1.00 37.94 O +HETATM25464 O HOH H2007 48.720 103.009 119.665 1.00 42.22 O +HETATM25465 O HOH H2011 29.719 99.885 109.924 1.00 37.66 O +HETATM25466 O HOH H2014 4.444 91.900 136.767 1.00 40.54 O +HETATM25467 O HOH H2026 12.406 90.580 115.885 1.00 40.75 O +HETATM25468 O HOH H2028 50.824 97.670 131.896 1.00 41.68 O +HETATM25469 O HOH H2038 28.081 80.831 124.603 1.00 42.93 O +HETATM25470 O HOH H2042 26.449 99.939 132.558 1.00 40.84 O +HETATM25471 O HOH H2059 29.485 102.190 135.390 1.00 46.42 O +HETATM25472 O HOH H2081 15.131 96.896 110.994 1.00 40.85 O +HETATM25473 O HOH H2084 20.107 75.572 131.130 1.00 42.31 O +HETATM25474 O HOH H2086 55.779 77.485 128.174 1.00 41.97 O +HETATM25475 O HOH H2092 21.630 73.263 137.278 1.00 47.54 O +HETATM25476 O HOH H2108 38.958 103.067 147.490 1.00 44.18 O +HETATM25477 O HOH H2109 9.174 81.817 139.945 1.00 43.00 O +HETATM25478 O HOH H2114 20.550 83.810 127.421 1.00 42.55 O +HETATM25479 O HOH H2119 53.358 92.756 126.603 1.00 45.06 O +HETATM25480 O HOH H2124 13.176 75.385 125.833 1.00 43.90 O +HETATM25481 O HOH H2130 50.457 97.516 117.567 1.00 44.74 O +HETATM25482 O HOH H2186 25.625 100.384 107.939 1.00 41.89 O +HETATM25483 O HOH H2187 54.440 89.588 129.626 1.00 45.35 O +HETATM25484 O HOH H2188 50.124 92.536 111.883 1.00 44.97 O +HETATM25485 O HOH H2203 47.422 103.762 146.762 1.00 47.98 O +HETATM25486 O HOH H2207 41.214 101.168 147.375 1.00 48.71 O +HETATM25487 O HOH H2218 9.686 86.102 115.941 1.00 47.73 O +HETATM25488 O HOH H2224 14.707 69.975 141.914 1.00 48.60 O +HETATM25489 O HOH H2229 12.431 92.491 112.661 1.00 53.41 O +HETATM25490 O HOH H2240 21.985 74.985 133.366 1.00 48.03 O +HETATM25491 O HOH I 257 40.480 81.811 104.061 1.00 11.78 O +HETATM25492 O HOH I 258 29.570 85.761 115.737 1.00 12.65 O +HETATM25493 O HOH I 259 40.567 75.356 103.469 1.00 14.89 O +HETATM25494 O HOH I 260 18.722 65.480 111.709 1.00 15.55 O +HETATM25495 O HOH I 261 11.409 76.301 108.087 1.00 21.47 O +HETATM25496 O HOH I 262 38.192 56.916 98.616 1.00 20.51 O +HETATM25497 O HOH I 263 36.678 71.118 106.736 1.00 16.57 O +HETATM25498 O HOH I 264 19.076 85.580 110.339 1.00 17.25 O +HETATM25499 O HOH I 265 48.156 72.064 102.916 1.00 18.37 O +HETATM25500 O HOH I 266 17.845 83.001 111.328 1.00 17.45 O +HETATM25501 O HOH I 267 42.081 79.704 125.355 1.00 22.54 O +HETATM25502 O HOH I 268 46.261 59.548 113.319 1.00 18.95 O +HETATM25503 O HOH I 269 29.040 64.883 97.086 1.00 19.65 O +HETATM25504 O HOH I 270 24.663 91.733 116.814 1.00 19.94 O +HETATM25505 O HOH I 271 47.870 67.888 111.014 1.00 19.40 O +HETATM25506 O HOH I 272 28.205 74.075 94.674 1.00 20.20 O +HETATM25507 O HOH I 273 50.758 85.934 110.325 1.00 17.59 O +HETATM25508 O HOH I 274 17.509 86.612 108.239 1.00 19.71 O +HETATM25509 O HOH I 275 22.951 91.017 96.413 1.00 19.49 O +HETATM25510 O HOH I 276 44.617 64.009 114.504 1.00 21.07 O +HETATM25511 O HOH I 277 26.756 94.501 112.046 1.00 21.25 O +HETATM25512 O HOH I 278 33.227 84.790 111.129 1.00 21.92 O +HETATM25513 O HOH I 289 27.831 73.249 114.431 1.00 21.88 O +HETATM25514 O HOH I 299 13.375 78.230 121.352 1.00 21.28 O +HETATM25515 O HOH I 303 36.174 84.491 113.777 1.00 20.69 O +HETATM25516 O HOH I 305 41.999 79.718 111.980 1.00 22.43 O +HETATM25517 O HOH I 310 29.032 80.260 113.732 1.00 23.51 O +HETATM25518 O HOH I 319 49.025 65.513 99.324 1.00 23.02 O +HETATM25519 O HOH I 324 27.829 81.021 96.955 1.00 20.93 O +HETATM25520 O HOH I 325 9.532 80.088 110.393 1.00 22.70 O +HETATM25521 O HOH I 339 6.407 77.795 93.471 1.00 23.98 O +HETATM25522 O HOH I 347 17.503 68.140 98.458 1.00 22.72 O +HETATM25523 O HOH I 348 28.253 76.291 87.536 1.00 23.94 O +HETATM25524 O HOH I 366 37.249 79.635 126.783 1.00 25.26 O +HETATM25525 O HOH I 371 34.981 80.532 130.327 1.00 21.87 O +HETATM25526 O HOH I 378 30.447 94.783 106.259 1.00 23.33 O +HETATM25527 O HOH I 379 31.857 77.954 111.473 1.00 25.33 O +HETATM25528 O HOH I 397 14.325 91.553 98.916 1.00 23.67 O +HETATM25529 O HOH I 405 40.432 52.699 103.748 1.00 23.92 O +HETATM25530 O HOH I 406 30.536 93.766 110.442 1.00 26.78 O +HETATM25531 O HOH I 412 39.085 69.431 111.953 1.00 24.02 O +HETATM25532 O HOH I 413 33.999 53.650 112.860 1.00 26.52 O +HETATM25533 O HOH I 456 12.024 80.988 106.604 1.00 24.26 O +HETATM25534 O HOH I 462 40.465 73.248 109.226 1.00 26.93 O +HETATM25535 O HOH I 465 50.528 79.937 133.396 1.00 24.65 O +HETATM25536 O HOH I 475 51.393 65.037 116.626 1.00 23.44 O +HETATM25537 O HOH I 477 59.203 78.892 116.488 1.00 22.41 O +HETATM25538 O HOH I 479 52.559 77.236 110.888 1.00 24.74 O +HETATM25539 O HOH I 494 40.275 51.816 108.138 1.00 21.47 O +HETATM25540 O HOH I 506 58.710 80.834 115.280 1.00 25.16 O +HETATM25541 O HOH I 508 41.665 75.902 110.834 1.00 26.20 O +HETATM25542 O HOH I 516 23.128 60.660 99.148 1.00 25.55 O +HETATM25543 O HOH I 518 35.471 56.402 111.284 1.00 23.75 O +HETATM25544 O HOH I 519 7.755 80.339 113.313 1.00 26.53 O +HETATM25545 O HOH I 531 21.477 92.978 96.329 1.00 26.69 O +HETATM25546 O HOH I 542 28.094 67.492 91.572 1.00 27.37 O +HETATM25547 O HOH I 553 10.810 88.166 97.201 1.00 26.27 O +HETATM25548 O HOH I 557 23.501 92.997 108.436 1.00 26.27 O +HETATM25549 O HOH I 564 38.646 73.871 110.960 1.00 27.62 O +HETATM25550 O HOH I 570 35.732 95.048 105.279 1.00 26.48 O +HETATM25551 O HOH I 580 42.469 54.565 102.922 1.00 27.58 O +HETATM25552 O HOH I 583 46.612 55.611 107.975 1.00 25.01 O +HETATM25553 O HOH I 601 52.871 79.943 110.908 1.00 28.00 O +HETATM25554 O HOH I 610 25.760 95.843 110.504 1.00 26.94 O +HETATM25555 O HOH I 625 41.122 67.141 111.365 1.00 27.26 O +HETATM25556 O HOH I 638 46.511 68.668 97.741 1.00 24.10 O +HETATM25557 O HOH I 665 34.109 72.394 96.191 1.00 24.79 O +HETATM25558 O HOH I 692 48.891 74.501 131.054 1.00 26.88 O +HETATM25559 O HOH I 693 36.195 55.667 100.196 1.00 29.44 O +HETATM25560 O HOH I 694 30.779 69.950 91.825 1.00 28.15 O +HETATM25561 O HOH I 698 59.807 78.212 112.918 1.00 25.14 O +HETATM25562 O HOH I 701 26.808 90.196 117.407 1.00 29.46 O +HETATM25563 O HOH I 716 44.630 59.383 99.278 1.00 28.16 O +HETATM25564 O HOH I 725 29.100 77.964 112.303 1.00 27.51 O +HETATM25565 O HOH I 730 47.284 63.912 117.470 1.00 27.90 O +HETATM25566 O HOH I 732 29.702 82.960 116.324 1.00 26.42 O +HETATM25567 O HOH I 742 36.477 53.667 112.988 1.00 31.62 O +HETATM25568 O HOH I 781 46.561 87.218 120.305 1.00 28.24 O +HETATM25569 O HOH I 822 53.934 75.964 109.134 1.00 29.52 O +HETATM25570 O HOH I 846 29.859 95.739 108.597 1.00 26.68 O +HETATM25571 O HOH I 871 23.898 59.110 104.926 1.00 27.67 O +HETATM25572 O HOH I 920 23.078 95.104 110.215 1.00 29.51 O +HETATM25573 O HOH I 922 11.587 78.404 98.089 1.00 28.31 O +HETATM25574 O HOH I 927 14.569 85.396 110.819 1.00 27.89 O +HETATM25575 O HOH I 937 18.832 62.267 94.848 1.00 30.06 O +HETATM25576 O HOH I 939 26.590 68.975 80.869 1.00 31.59 O +HETATM25577 O HOH I 940 35.852 86.626 112.083 1.00 29.35 O +HETATM25578 O HOH I 953 50.418 88.216 110.144 1.00 29.62 O +HETATM25579 O HOH I 993 46.459 76.342 122.385 1.00 32.11 O +HETATM25580 O HOH I1017 21.446 92.421 102.662 1.00 31.41 O +HETATM25581 O HOH I1024 49.182 65.597 118.277 1.00 30.91 O +HETATM25582 O HOH I1033 19.686 96.303 113.604 1.00 31.78 O +HETATM25583 O HOH I1055 57.104 76.461 115.254 1.00 30.16 O +HETATM25584 O HOH I1058 42.583 78.934 121.216 1.00 30.16 O +HETATM25585 O HOH I1075 36.119 80.505 115.968 1.00 32.29 O +HETATM25586 O HOH I1079 47.007 58.907 100.677 1.00 31.31 O +HETATM25587 O HOH I1087 9.449 71.320 90.951 1.00 31.96 O +HETATM25588 O HOH I1089 32.852 77.810 114.659 1.00 29.93 O +HETATM25589 O HOH I1100 52.866 75.388 128.880 1.00 34.43 O +HETATM25590 O HOH I1110 12.639 78.807 100.590 1.00 32.60 O +HETATM25591 O HOH I1115 56.827 65.747 111.431 1.00 29.87 O +HETATM25592 O HOH I1121 12.094 77.471 93.945 1.00 31.28 O +HETATM25593 O HOH I1182 55.357 66.804 102.141 1.00 34.18 O +HETATM25594 O HOH I1208 17.579 62.191 109.947 1.00 35.27 O +HETATM25595 O HOH I1213 47.806 61.109 117.808 1.00 32.66 O +HETATM25596 O HOH I1228 27.977 63.497 118.418 1.00 31.33 O +HETATM25597 O HOH I1239 24.847 91.026 109.267 1.00 33.42 O +HETATM25598 O HOH I1241 24.800 60.327 97.029 1.00 32.28 O +HETATM25599 O HOH I1267 49.354 68.149 118.026 1.00 33.99 O +HETATM25600 O HOH I1275 32.939 95.320 104.838 1.00 36.93 O +HETATM25601 O HOH I1283 41.812 77.438 136.181 1.00 33.14 O +HETATM25602 O HOH I1284 57.660 77.932 118.701 1.00 34.19 O +HETATM25603 O HOH I1285 15.042 78.515 100.648 1.00 36.10 O +HETATM25604 O HOH I1309 28.686 95.734 104.350 1.00 31.76 O +HETATM25605 O HOH I1321 16.312 61.573 93.739 1.00 35.24 O +HETATM25606 O HOH I1332 11.393 82.466 110.645 1.00 34.42 O +HETATM25607 O HOH I1334 34.739 70.940 117.174 1.00 33.15 O +HETATM25608 O HOH I1360 54.967 68.669 113.322 1.00 34.35 O +HETATM25609 O HOH I1369 26.920 64.347 93.171 1.00 33.93 O +HETATM25610 O HOH I1385 52.339 85.385 116.496 1.00 35.46 O +HETATM25611 O HOH I1396 34.079 68.214 116.613 1.00 39.14 O +HETATM25612 O HOH I1401 35.918 74.264 96.473 1.00 33.46 O +HETATM25613 O HOH I1407 29.171 55.036 103.550 1.00 34.49 O +HETATM25614 O HOH I1409 13.246 89.611 113.271 1.00 35.64 O +HETATM25615 O HOH I1410 51.554 67.896 120.215 1.00 34.56 O +HETATM25616 O HOH I1412 54.288 78.527 131.948 1.00 34.85 O +HETATM25617 O HOH I1420 57.198 80.302 112.267 1.00 34.98 O +HETATM25618 O HOH I1433 52.837 71.068 113.591 1.00 37.62 O +HETATM25619 O HOH I1434 16.756 91.956 98.910 1.00 36.66 O +HETATM25620 O HOH I1442 31.975 68.062 118.255 1.00 34.31 O +HETATM25621 O HOH I1443 29.558 67.746 118.265 1.00 36.40 O +HETATM25622 O HOH I1450 14.210 73.347 84.847 1.00 36.59 O +HETATM25623 O HOH I1461 33.667 58.766 97.192 1.00 35.50 O +HETATM25624 O HOH I1475 14.411 74.080 81.151 1.00 31.86 O +HETATM25625 O HOH I1476 15.691 65.047 113.913 1.00 36.49 O +HETATM25626 O HOH I1501 53.460 67.643 100.012 1.00 34.44 O +HETATM25627 O HOH I1502 41.034 78.249 113.497 1.00 36.82 O +HETATM25628 O HOH I1528 31.114 60.298 118.263 1.00 34.44 O +HETATM25629 O HOH I1538 29.777 66.583 95.181 1.00 33.97 O +HETATM25630 O HOH I1544 9.238 83.129 105.612 1.00 38.73 O +HETATM25631 O HOH I1550 20.418 94.742 111.576 1.00 34.18 O +HETATM25632 O HOH I1560 55.755 77.838 112.686 1.00 36.70 O +HETATM25633 O HOH I1565 45.940 77.639 136.150 1.00 36.81 O +HETATM25634 O HOH I1570 41.874 50.963 105.753 1.00 38.45 O +HETATM25635 O HOH I1577 22.302 94.062 104.399 1.00 38.53 O +HETATM25636 O HOH I1591 25.485 96.319 106.931 1.00 41.85 O +HETATM25637 O HOH I1597 39.242 97.361 109.164 1.00 38.27 O +HETATM25638 O HOH I1602 35.394 77.452 130.448 1.00 38.99 O +HETATM25639 O HOH I1608 42.407 98.091 103.710 1.00 38.86 O +HETATM25640 O HOH I1621 55.233 80.357 110.472 1.00 39.26 O +HETATM25641 O HOH I1631 12.309 87.314 112.738 1.00 37.42 O +HETATM25642 O HOH I1675 42.584 55.836 100.432 1.00 40.63 O +HETATM25643 O HOH I1700 28.644 54.841 109.628 1.00 36.12 O +HETATM25644 O HOH I1708 33.651 78.989 94.212 1.00 38.74 O +HETATM25645 O HOH I1721 23.109 93.928 99.765 1.00 39.91 O +HETATM25646 O HOH I1733 36.145 53.585 101.697 1.00 39.20 O +HETATM25647 O HOH I1737 41.681 55.131 96.208 1.00 39.23 O +HETATM25648 O HOH I1761 38.187 76.116 132.838 1.00 40.47 O +HETATM25649 O HOH I1763 40.330 55.408 98.811 1.00 39.27 O +HETATM25650 O HOH I1766 50.314 87.477 112.608 1.00 38.85 O +HETATM25651 O HOH I1779 20.406 59.801 95.250 1.00 38.07 O +HETATM25652 O HOH I1789 41.327 67.793 119.165 1.00 38.41 O +HETATM25653 O HOH I1802 13.914 65.255 91.110 1.00 39.08 O +HETATM25654 O HOH I1803 33.497 63.210 95.876 1.00 39.75 O +HETATM25655 O HOH I1829 27.433 59.331 102.509 1.00 38.62 O +HETATM25656 O HOH I1837 11.330 79.485 95.745 1.00 38.45 O +HETATM25657 O HOH I1839 9.431 66.407 109.746 1.00 42.72 O +HETATM25658 O HOH I1853 41.947 51.427 110.194 1.00 37.62 O +HETATM25659 O HOH I1866 29.276 57.528 103.676 1.00 41.11 O +HETATM25660 O HOH I1921 8.307 84.821 103.497 1.00 41.65 O +HETATM25661 O HOH I1934 10.166 77.916 91.728 1.00 43.19 O +HETATM25662 O HOH I1944 53.013 87.595 119.701 1.00 38.98 O +HETATM25663 O HOH I1947 57.128 63.510 109.072 1.00 40.19 O +HETATM25664 O HOH I1959 39.451 98.836 104.762 1.00 38.57 O +HETATM25665 O HOH I1972 17.960 93.647 100.186 1.00 43.54 O +HETATM25666 O HOH I1974 32.818 75.958 93.096 1.00 42.48 O +HETATM25667 O HOH I1981 14.723 64.402 110.577 1.00 40.15 O +HETATM25668 O HOH I1992 3.355 79.093 107.343 1.00 39.12 O +HETATM25669 O HOH I1994 43.056 76.207 116.502 1.00 45.80 O +HETATM25670 O HOH I1996 32.464 73.571 94.088 1.00 39.21 O +HETATM25671 O HOH I2006 29.848 58.905 101.336 1.00 43.62 O +HETATM25672 O HOH I2030 7.615 72.772 97.745 1.00 45.89 O +HETATM25673 O HOH I2031 11.631 86.485 92.310 1.00 41.13 O +HETATM25674 O HOH I2033 13.763 78.777 91.705 1.00 42.35 O +HETATM25675 O HOH I2062 57.191 68.486 115.331 1.00 45.43 O +HETATM25676 O HOH I2090 13.818 95.678 107.601 1.00 42.02 O +HETATM25677 O HOH I2104 15.593 62.055 113.689 1.00 45.03 O +HETATM25678 O HOH I2112 37.753 68.032 113.583 1.00 42.94 O +HETATM25679 O HOH I2113 48.331 71.763 122.180 1.00 46.74 O +HETATM25680 O HOH I2126 35.276 70.114 94.933 1.00 42.02 O +HETATM25681 O HOH I2133 10.802 60.769 104.309 1.00 47.56 O +HETATM25682 O HOH I2148 36.617 61.903 93.703 1.00 46.65 O +HETATM25683 O HOH I2154 19.575 60.971 112.739 1.00 44.16 O +HETATM25684 O HOH I2160 38.695 56.645 119.499 1.00 47.34 O +HETATM25685 O HOH I2204 10.701 65.838 112.278 1.00 44.70 O +HETATM25686 O HOH I2205 46.409 62.636 120.509 1.00 51.62 O +HETATM25687 O HOH I2212 10.576 75.461 102.204 1.00 48.95 O +HETATM25688 O HOH I2214 50.772 59.288 100.232 1.00 46.80 O +HETATM25689 O HOH I2219 12.720 94.378 111.203 1.00 52.74 O +HETATM25690 O HOH I2221 52.178 75.804 132.555 1.00 47.00 O +HETATM25691 O HOH I2225 24.425 67.501 116.149 1.00 51.92 O +HETATM25692 O HOH I2230 56.727 64.061 105.953 1.00 52.67 O +HETATM25693 O HOH I2237 18.238 95.909 110.686 1.00 50.87 O +HETATM25694 O HOH I2243 39.118 63.154 116.537 1.00 48.80 O +HETATM25695 O HOH J 257 29.577 82.918 85.917 1.00 15.82 O +HETATM25696 O HOH J 258 48.738 98.440 95.320 1.00 17.06 O +HETATM25697 O HOH J 259 37.439 103.197 98.087 1.00 17.22 O +HETATM25698 O HOH J 260 43.193 78.237 91.619 1.00 17.20 O +HETATM25699 O HOH J 261 30.414 109.009 75.457 1.00 18.14 O +HETATM25700 O HOH J 262 48.691 98.659 90.632 1.00 15.81 O +HETATM25701 O HOH J 263 44.026 89.567 105.011 1.00 18.48 O +HETATM25702 O HOH J 264 19.777 85.788 68.920 1.00 21.84 O +HETATM25703 O HOH J 265 26.659 81.494 67.111 1.00 19.38 O +HETATM25704 O HOH J 266 27.055 85.007 70.413 1.00 19.03 O +HETATM25705 O HOH J 267 23.304 83.457 74.895 1.00 19.87 O +HETATM25706 O HOH J 268 38.590 96.728 85.621 1.00 20.14 O +HETATM25707 O HOH J 269 24.114 86.792 67.966 1.00 20.29 O +HETATM25708 O HOH J 270 29.694 86.650 81.056 1.00 21.90 O +HETATM25709 O HOH J 271 23.054 79.016 82.708 1.00 22.86 O +HETATM25710 O HOH J 272 28.110 87.048 91.012 1.00 21.72 O +HETATM25711 O HOH J 273 29.414 95.882 101.440 1.00 21.57 O +HETATM25712 O HOH J 291 52.019 89.566 75.996 1.00 23.29 O +HETATM25713 O HOH J 341 36.250 101.055 88.912 1.00 23.88 O +HETATM25714 O HOH J 349 27.313 92.249 60.761 1.00 23.50 O +HETATM25715 O HOH J 364 16.129 93.118 91.630 1.00 27.82 O +HETATM25716 O HOH J 368 31.076 88.665 80.689 1.00 23.33 O +HETATM25717 O HOH J 370 41.471 100.298 99.736 1.00 23.16 O +HETATM25718 O HOH J 376 24.283 72.376 79.603 1.00 22.10 O +HETATM25719 O HOH J 383 30.106 84.986 74.870 1.00 24.42 O +HETATM25720 O HOH J 403 21.208 88.917 70.953 1.00 24.02 O +HETATM25721 O HOH J 420 22.745 96.836 88.550 1.00 22.49 O +HETATM25722 O HOH J 433 47.361 99.119 92.932 1.00 24.84 O +HETATM25723 O HOH J 435 28.028 74.505 66.657 1.00 23.00 O +HETATM25724 O HOH J 443 31.415 87.058 76.716 1.00 25.52 O +HETATM25725 O HOH J 461 33.960 84.472 81.167 1.00 25.43 O +HETATM25726 O HOH J 467 39.138 94.292 84.615 1.00 25.08 O +HETATM25727 O HOH J 480 28.920 75.060 63.982 1.00 24.33 O +HETATM25728 O HOH J 487 43.872 75.110 82.135 1.00 24.73 O +HETATM25729 O HOH J 503 50.418 75.561 78.641 1.00 25.92 O +HETATM25730 O HOH J 517 34.613 100.478 100.681 1.00 24.19 O +HETATM25731 O HOH J 521 37.962 80.399 66.891 1.00 25.15 O +HETATM25732 O HOH J 532 36.357 92.877 84.671 1.00 26.14 O +HETATM25733 O HOH J 550 33.306 95.999 90.408 1.00 25.51 O +HETATM25734 O HOH J 552 44.329 95.746 102.593 1.00 23.62 O +HETATM25735 O HOH J 554 39.591 106.315 93.764 1.00 25.87 O +HETATM25736 O HOH J 565 54.214 80.317 85.905 1.00 23.97 O +HETATM25737 O HOH J 575 43.224 73.326 97.152 1.00 24.50 O +HETATM25738 O HOH J 589 34.368 100.625 98.085 1.00 26.31 O +HETATM25739 O HOH J 605 54.811 91.541 74.800 1.00 27.01 O +HETATM25740 O HOH J 606 41.105 93.743 79.699 1.00 25.42 O +HETATM25741 O HOH J 620 16.626 91.890 89.667 1.00 25.83 O +HETATM25742 O HOH J 646 30.732 76.860 63.170 1.00 25.10 O +HETATM25743 O HOH J 650 27.850 70.292 73.452 1.00 25.94 O +HETATM25744 O HOH J 661 53.427 105.278 81.649 1.00 25.61 O +HETATM25745 O HOH J 679 49.275 73.401 79.619 1.00 28.00 O +HETATM25746 O HOH J 684 57.460 73.206 83.372 1.00 26.96 O +HETATM25747 O HOH J 699 34.747 95.210 82.415 1.00 29.70 O +HETATM25748 O HOH J 757 58.843 101.170 88.799 1.00 30.82 O +HETATM25749 O HOH J 765 26.248 73.221 83.211 1.00 29.56 O +HETATM25750 O HOH J 772 24.662 102.787 76.781 1.00 28.99 O +HETATM25751 O HOH J 778 32.649 71.150 69.159 1.00 27.73 O +HETATM25752 O HOH J 790 40.659 99.643 97.179 1.00 30.19 O +HETATM25753 O HOH J 796 25.281 82.688 65.256 1.00 29.13 O +HETATM25754 O HOH J 806 45.283 71.840 88.178 1.00 28.88 O +HETATM25755 O HOH J 823 19.170 102.968 68.488 1.00 27.65 O +HETATM25756 O HOH J 837 30.737 97.467 88.106 1.00 27.56 O +HETATM25757 O HOH J 851 54.911 73.961 83.035 1.00 29.68 O +HETATM25758 O HOH J 875 32.052 96.448 102.598 1.00 30.99 O +HETATM25759 O HOH J 878 42.709 93.922 105.357 1.00 32.29 O +HETATM25760 O HOH J 893 36.634 91.300 73.632 1.00 39.87 O +HETATM25761 O HOH J 894 40.268 93.270 72.538 1.00 33.71 O +HETATM25762 O HOH J 914 15.223 107.471 71.118 1.00 29.63 O +HETATM25763 O HOH J 947 49.208 85.660 71.272 1.00 31.37 O +HETATM25764 O HOH J 952 49.973 83.892 69.435 1.00 30.49 O +HETATM25765 O HOH J 962 36.376 97.510 103.393 1.00 29.24 O +HETATM25766 O HOH J 966 16.821 87.117 81.719 1.00 30.97 O +HETATM25767 O HOH J 975 41.742 73.116 89.458 1.00 28.28 O +HETATM25768 O HOH J 984 56.056 91.696 103.680 1.00 30.53 O +HETATM25769 O HOH J 986 13.659 98.762 73.508 1.00 29.84 O +HETATM25770 O HOH J 990 28.578 82.092 94.889 1.00 32.39 O +HETATM25771 O HOH J1014 55.837 95.289 92.691 1.00 33.24 O +HETATM25772 O HOH J1020 28.934 105.028 76.495 1.00 32.08 O +HETATM25773 O HOH J1025 26.168 91.813 84.481 1.00 31.71 O +HETATM25774 O HOH J1028 57.792 82.808 96.843 1.00 32.70 O +HETATM25775 O HOH J1046 18.970 101.681 85.148 1.00 31.17 O +HETATM25776 O HOH J1048 17.752 86.154 75.465 1.00 30.25 O +HETATM25777 O HOH J1099 27.549 89.269 82.309 1.00 30.63 O +HETATM25778 O HOH J1116 24.559 99.025 78.162 1.00 31.13 O +HETATM25779 O HOH J1120 45.132 80.150 67.279 1.00 31.81 O +HETATM25780 O HOH J1122 36.943 100.008 86.469 1.00 31.84 O +HETATM25781 O HOH J1134 56.506 79.424 98.637 1.00 30.52 O +HETATM25782 O HOH J1140 36.800 69.758 73.835 1.00 31.65 O +HETATM25783 O HOH J1141 53.523 74.714 79.078 1.00 34.98 O +HETATM25784 O HOH J1148 30.250 69.969 74.872 1.00 29.70 O +HETATM25785 O HOH J1166 49.273 93.867 105.113 1.00 34.99 O +HETATM25786 O HOH J1197 26.481 75.023 62.437 1.00 33.68 O +HETATM25787 O HOH J1212 51.708 100.454 93.387 1.00 31.82 O +HETATM25788 O HOH J1262 38.969 70.970 72.679 1.00 33.29 O +HETATM25789 O HOH J1287 54.299 88.443 93.485 1.00 32.27 O +HETATM25790 O HOH J1288 52.193 94.139 105.178 1.00 35.41 O +HETATM25791 O HOH J1308 24.176 68.989 73.237 1.00 35.69 O +HETATM25792 O HOH J1322 24.099 85.476 65.640 1.00 32.42 O +HETATM25793 O HOH J1324 36.559 79.331 94.673 1.00 34.47 O +HETATM25794 O HOH J1325 43.393 104.734 99.546 1.00 34.27 O +HETATM25795 O HOH J1341 49.382 79.391 73.749 1.00 34.41 O +HETATM25796 O HOH J1354 19.307 84.654 66.330 1.00 36.03 O +HETATM25797 O HOH J1365 43.069 73.909 84.969 1.00 33.39 O +HETATM25798 O HOH J1367 37.473 75.687 63.864 1.00 33.22 O +HETATM25799 O HOH J1375 55.044 99.232 91.438 1.00 35.98 O +HETATM25800 O HOH J1384 37.908 103.210 100.535 1.00 33.33 O +HETATM25801 O HOH J1387 34.910 97.864 101.125 1.00 37.14 O +HETATM25802 O HOH J1398 16.558 94.285 89.436 1.00 34.57 O +HETATM25803 O HOH J1399 22.146 69.890 81.498 1.00 32.79 O +HETATM25804 O HOH J1406 28.678 91.801 70.847 1.00 36.11 O +HETATM25805 O HOH J1425 16.886 71.164 76.259 1.00 33.22 O +HETATM25806 O HOH J1488 29.449 77.827 60.814 1.00 35.29 O +HETATM25807 O HOH J1531 21.631 87.847 68.602 1.00 36.72 O +HETATM25808 O HOH J1535 60.966 81.579 89.672 1.00 36.62 O +HETATM25809 O HOH J1537 30.912 107.318 72.965 1.00 38.13 O +HETATM25810 O HOH J1559 18.831 74.308 71.254 1.00 35.11 O +HETATM25811 O HOH J1564 16.053 84.126 72.807 1.00 35.79 O +HETATM25812 O HOH J1568 56.368 89.222 76.200 1.00 37.90 O +HETATM25813 O HOH J1582 12.188 104.276 70.514 1.00 42.24 O +HETATM25814 O HOH J1618 27.573 92.531 82.655 1.00 36.66 O +HETATM25815 O HOH J1642 18.422 89.864 69.077 1.00 39.51 O +HETATM25816 O HOH J1657 46.816 77.063 74.588 1.00 35.12 O +HETATM25817 O HOH J1664 50.437 68.529 90.618 1.00 40.49 O +HETATM25818 O HOH J1667 52.529 87.874 72.738 1.00 39.68 O +HETATM25819 O HOH J1688 57.953 96.015 95.366 1.00 35.59 O +HETATM25820 O HOH J1697 60.155 102.729 81.609 1.00 35.43 O +HETATM25821 O HOH J1710 44.777 90.873 106.777 1.00 38.17 O +HETATM25822 O HOH J1726 57.622 97.921 89.883 1.00 39.02 O +HETATM25823 O HOH J1727 48.165 84.175 66.869 1.00 38.87 O +HETATM25824 O HOH J1731 15.664 80.384 71.591 1.00 37.68 O +HETATM25825 O HOH J1747 40.634 97.828 81.492 1.00 42.55 O +HETATM25826 O HOH J1753 42.424 95.642 81.019 1.00 39.30 O +HETATM25827 O HOH J1762 40.394 71.475 80.722 1.00 38.08 O +HETATM25828 O HOH J1772 15.527 84.316 81.701 1.00 39.01 O +HETATM25829 O HOH J1783 37.770 77.245 88.557 1.00 38.95 O +HETATM25830 O HOH J1788 58.259 89.054 91.240 1.00 44.07 O +HETATM25831 O HOH J1793 43.486 91.382 69.430 1.00 39.57 O +HETATM25832 O HOH J1806 44.221 74.982 75.507 1.00 41.55 O +HETATM25833 O HOH J1815 35.760 77.075 96.654 1.00 42.28 O +HETATM25834 O HOH J1831 19.096 80.206 65.846 1.00 41.76 O +HETATM25835 O HOH J1835 22.056 92.128 65.559 1.00 40.70 O +HETATM25836 O HOH J1840 37.380 68.651 81.243 1.00 36.48 O +HETATM25837 O HOH J1856 53.026 103.250 93.821 1.00 38.73 O +HETATM25838 O HOH J1881 54.285 86.813 74.473 1.00 40.34 O +HETATM25839 O HOH J1889 58.887 96.004 98.271 1.00 40.91 O +HETATM25840 O HOH J1895 15.485 88.769 84.015 1.00 38.97 O +HETATM25841 O HOH J1936 62.078 95.189 92.266 1.00 43.50 O +HETATM25842 O HOH J1938 56.546 89.076 72.743 1.00 43.73 O +HETATM25843 O HOH J1982 44.609 76.372 72.911 1.00 42.77 O +HETATM25844 O HOH J1986 20.954 94.117 71.612 1.00 44.16 O +HETATM25845 O HOH J2003 47.514 64.301 95.613 1.00 43.42 O +HETATM25846 O HOH J2008 49.394 76.529 76.253 1.00 48.10 O +HETATM25847 O HOH J2032 49.477 73.540 75.800 1.00 42.66 O +HETATM25848 O HOH J2036 28.313 67.664 78.138 1.00 43.04 O +HETATM25849 O HOH J2049 15.837 81.578 73.976 1.00 39.82 O +HETATM25850 O HOH J2058 32.677 87.270 68.851 1.00 44.97 O +HETATM25851 O HOH J2064 47.702 71.930 77.974 1.00 41.35 O +HETATM25852 O HOH J2067 37.751 75.041 86.758 1.00 52.83 O +HETATM25853 O HOH J2118 38.243 68.529 76.409 1.00 47.54 O +HETATM25854 O HOH J2123 58.546 95.845 101.103 1.00 39.35 O +HETATM25855 O HOH J2134 16.019 75.147 74.525 1.00 43.15 O +HETATM25856 O HOH J2142 17.122 73.975 77.705 1.00 45.06 O +HETATM25857 O HOH J2144 38.045 100.587 103.249 1.00 45.35 O +HETATM25858 O HOH J2151 39.161 76.049 90.764 1.00 46.23 O +HETATM25859 O HOH J2170 17.752 96.075 97.607 1.00 44.66 O +HETATM25860 O HOH J2174 32.768 69.413 70.963 1.00 47.28 O +HETATM25861 O HOH J2175 64.821 94.266 84.747 1.00 48.60 O +HETATM25862 O HOH J2179 42.990 69.996 88.167 1.00 47.16 O +HETATM25863 O HOH J2183 66.702 94.012 86.886 1.00 46.08 O +HETATM25864 O HOH J2195 40.558 87.505 74.639 1.00 47.73 O +HETATM25865 O HOH J2198 36.962 97.734 84.027 1.00 43.38 O +HETATM25866 O HOH J2216 39.993 72.641 86.286 1.00 46.62 O +HETATM25867 O HOH J2223 63.035 72.340 102.685 1.00 51.16 O +HETATM25868 O HOH J2252 41.312 69.303 73.250 1.00 40.37 O +HETATM25869 O HOH J2254 56.161 81.818 98.658 1.00 33.40 O +HETATM25870 O HOH J2255 56.365 89.262 94.255 1.00 29.85 O +HETATM25871 O HOH K 257 33.271 101.311 88.200 1.00 16.72 O +HETATM25872 O HOH K 258 21.406 103.297 88.531 1.00 17.00 O +HETATM25873 O HOH K 259 19.504 104.265 90.155 1.00 18.61 O +HETATM25874 O HOH K 260 28.376 96.349 92.185 1.00 17.27 O +HETATM25875 O HOH K 261 30.412 97.128 90.872 1.00 19.38 O +HETATM25876 O HOH K 262 31.894 105.672 84.196 1.00 22.14 O +HETATM25877 O HOH K 263 34.402 109.249 83.998 1.00 20.97 O +HETATM25878 O HOH K 264 12.040 120.638 67.253 1.00 17.84 O +HETATM25879 O HOH K 265 40.505 119.256 86.764 1.00 19.34 O +HETATM25880 O HOH K 266 40.284 115.521 92.361 1.00 20.79 O +HETATM25881 O HOH K 267 35.557 106.498 90.229 1.00 21.33 O +HETATM25882 O HOH K 268 29.069 99.517 97.024 1.00 21.46 O +HETATM25883 O HOH K 272 43.499 111.771 99.209 1.00 22.19 O +HETATM25884 O HOH K 330 47.741 123.231 85.837 1.00 22.03 O +HETATM25885 O HOH K 338 20.957 103.594 85.678 1.00 22.15 O +HETATM25886 O HOH K 353 22.461 112.165 70.543 1.00 22.34 O +HETATM25887 O HOH K 358 25.029 130.324 83.146 1.00 23.35 O +HETATM25888 O HOH K 392 24.739 102.520 96.823 1.00 22.03 O +HETATM25889 O HOH K 430 35.473 106.856 102.098 1.00 23.58 O +HETATM25890 O HOH K 463 28.261 126.975 78.582 1.00 27.57 O +HETATM25891 O HOH K 464 23.876 129.210 92.752 1.00 25.41 O +HETATM25892 O HOH K 468 41.089 103.160 100.395 1.00 25.30 O +HETATM25893 O HOH K 469 37.959 105.300 91.596 1.00 26.32 O +HETATM25894 O HOH K 499 37.775 117.689 80.964 1.00 24.75 O +HETATM25895 O HOH K 524 43.401 113.006 84.217 1.00 25.09 O +HETATM25896 O HOH K 525 31.791 108.106 77.681 1.00 23.45 O +HETATM25897 O HOH K 540 44.770 128.884 84.993 1.00 25.48 O +HETATM25898 O HOH K 549 42.108 115.482 82.237 1.00 25.16 O +HETATM25899 O HOH K 593 42.779 92.812 78.096 1.00 25.53 O +HETATM25900 O HOH K 609 19.241 96.629 76.234 1.00 26.66 O +HETATM25901 O HOH K 629 44.283 110.171 86.967 1.00 26.91 O +HETATM25902 O HOH K 633 46.627 131.420 75.316 1.00 26.12 O +HETATM25903 O HOH K 640 38.923 105.173 89.167 1.00 27.57 O +HETATM25904 O HOH K 652 9.714 110.993 95.386 1.00 28.65 O +HETATM25905 O HOH K 664 28.919 130.767 90.537 1.00 26.85 O +HETATM25906 O HOH K 666 17.212 121.815 78.626 1.00 26.99 O +HETATM25907 O HOH K 668 31.879 118.149 63.123 1.00 25.72 O +HETATM25908 O HOH K 680 32.573 106.794 102.140 1.00 28.75 O +HETATM25909 O HOH K 689 23.337 125.823 73.024 1.00 28.46 O +HETATM25910 O HOH K 696 38.807 120.955 65.984 1.00 27.04 O +HETATM25911 O HOH K 697 17.329 102.053 87.354 1.00 27.69 O +HETATM25912 O HOH K 717 48.273 116.820 72.909 1.00 27.86 O +HETATM25913 O HOH K 739 16.740 135.944 89.113 1.00 26.67 O +HETATM25914 O HOH K 768 43.941 96.850 79.207 1.00 27.71 O +HETATM25915 O HOH K 780 15.110 128.626 74.983 1.00 31.05 O +HETATM25916 O HOH K 785 43.675 116.853 76.318 1.00 27.05 O +HETATM25917 O HOH K 792 36.085 130.801 70.682 1.00 27.16 O +HETATM25918 O HOH K 834 47.973 99.044 80.625 1.00 29.98 O +HETATM25919 O HOH K 868 20.346 109.524 68.306 1.00 31.66 O +HETATM25920 O HOH K 882 49.600 120.393 70.069 1.00 28.77 O +HETATM25921 O HOH K 905 56.611 98.501 75.064 1.00 29.54 O +HETATM25922 O HOH K 942 43.290 94.467 75.601 1.00 28.32 O +HETATM25923 O HOH K 961 40.157 105.212 84.405 1.00 26.96 O +HETATM25924 O HOH K 968 13.180 107.199 84.906 1.00 33.03 O +HETATM25925 O HOH K 991 19.267 112.139 101.840 1.00 31.62 O +HETATM25926 O HOH K1013 32.061 107.944 83.003 1.00 27.80 O +HETATM25927 O HOH K1023 22.573 95.470 96.631 1.00 31.82 O +HETATM25928 O HOH K1032 47.517 103.047 82.100 1.00 29.31 O +HETATM25929 O HOH K1036 22.875 97.974 96.182 1.00 31.41 O +HETATM25930 O HOH K1043 13.061 108.797 98.085 1.00 31.57 O +HETATM25931 O HOH K1047 47.934 129.532 81.828 1.00 29.81 O +HETATM25932 O HOH K1067 32.112 102.208 97.764 1.00 31.30 O +HETATM25933 O HOH K1073 14.680 114.074 86.254 1.00 30.27 O +HETATM25934 O HOH K1085 46.002 105.693 92.452 1.00 31.77 O +HETATM25935 O HOH K1125 43.222 130.540 69.783 1.00 31.41 O +HETATM25936 O HOH K1128 45.501 130.815 69.135 1.00 30.06 O +HETATM25937 O HOH K1151 29.979 106.155 78.770 1.00 32.05 O +HETATM25938 O HOH K1165 28.344 128.141 81.224 1.00 31.54 O +HETATM25939 O HOH K1173 25.707 122.241 68.545 1.00 33.70 O +HETATM25940 O HOH K1176 17.695 128.142 75.455 1.00 31.78 O +HETATM25941 O HOH K1179 32.085 128.677 83.024 1.00 34.74 O +HETATM25942 O HOH K1181 26.134 124.246 87.482 1.00 31.68 O +HETATM25943 O HOH K1187 28.258 105.516 101.677 1.00 36.27 O +HETATM25944 O HOH K1229 43.830 131.654 75.925 1.00 33.05 O +HETATM25945 O HOH K1258 49.989 118.433 78.301 1.00 33.62 O +HETATM25946 O HOH K1342 40.949 113.049 82.004 1.00 33.14 O +HETATM25947 O HOH K1345 32.043 121.300 64.107 1.00 34.00 O +HETATM25948 O HOH K1358 29.362 108.803 71.239 1.00 32.60 O +HETATM25949 O HOH K1362 51.127 100.556 90.502 1.00 39.07 O +HETATM25950 O HOH K1368 31.677 104.495 79.798 1.00 34.68 O +HETATM25951 O HOH K1380 25.510 100.042 97.778 1.00 33.83 O +HETATM25952 O HOH K1383 53.052 112.848 75.494 1.00 33.83 O +HETATM25953 O HOH K1405 33.404 102.288 85.806 1.00 32.96 O +HETATM25954 O HOH K1430 51.800 115.141 71.944 1.00 32.72 O +HETATM25955 O HOH K1437 41.909 114.934 77.182 1.00 37.11 O +HETATM25956 O HOH K1438 10.056 129.052 88.873 1.00 35.24 O +HETATM25957 O HOH K1477 55.282 116.055 74.132 1.00 33.55 O +HETATM25958 O HOH K1490 36.430 106.861 82.546 1.00 32.74 O +HETATM25959 O HOH K1505 11.546 100.933 80.709 1.00 35.35 O +HETATM25960 O HOH K1523 37.589 131.975 72.816 1.00 37.93 O +HETATM25961 O HOH K1527 51.468 119.312 68.736 1.00 36.80 O +HETATM25962 O HOH K1529 8.179 111.606 90.612 1.00 34.84 O +HETATM25963 O HOH K1543 47.170 101.556 80.154 1.00 38.42 O +HETATM25964 O HOH K1549 21.192 106.887 98.707 1.00 37.43 O +HETATM25965 O HOH K1578 10.783 123.072 90.266 1.00 33.80 O +HETATM25966 O HOH K1586 38.424 110.603 73.663 1.00 37.05 O +HETATM25967 O HOH K1616 43.473 107.442 99.810 1.00 36.38 O +HETATM25968 O HOH K1619 20.411 138.028 89.029 1.00 37.91 O +HETATM25969 O HOH K1620 36.552 104.185 102.619 1.00 35.93 O +HETATM25970 O HOH K1644 10.057 118.933 67.979 1.00 40.95 O +HETATM25971 O HOH K1650 46.486 110.372 73.398 1.00 38.28 O +HETATM25972 O HOH K1652 44.854 109.786 99.872 1.00 33.64 O +HETATM25973 O HOH K1678 26.489 103.192 94.443 1.00 37.37 O +HETATM25974 O HOH K1711 48.509 127.213 69.028 1.00 37.17 O +HETATM25975 O HOH K1716 7.146 124.096 83.497 1.00 40.65 O +HETATM25976 O HOH K1720 8.639 116.471 96.280 1.00 37.25 O +HETATM25977 O HOH K1722 33.612 103.620 83.558 1.00 40.65 O +HETATM25978 O HOH K1728 18.943 133.930 83.623 1.00 38.18 O +HETATM25979 O HOH K1743 30.875 104.766 100.540 1.00 41.43 O +HETATM25980 O HOH K1748 42.720 105.079 82.807 1.00 35.97 O +HETATM25981 O HOH K1777 58.354 113.767 87.328 1.00 38.36 O +HETATM25982 O HOH K1814 27.740 99.979 99.313 1.00 42.37 O +HETATM25983 O HOH K1821 56.920 117.281 72.303 1.00 41.14 O +HETATM25984 O HOH K1847 26.639 128.357 77.001 1.00 38.46 O +HETATM25985 O HOH K1851 31.618 129.827 78.576 1.00 39.17 O +HETATM25986 O HOH K1855 7.538 107.737 73.803 1.00 41.27 O +HETATM25987 O HOH K1859 9.541 113.030 98.703 1.00 35.60 O +HETATM25988 O HOH K1872 44.979 134.268 78.514 1.00 43.06 O +HETATM25989 O HOH K1906 29.955 125.833 90.553 1.00 41.91 O +HETATM25990 O HOH K1907 31.456 108.915 68.834 1.00 42.32 O +HETATM25991 O HOH K1908 31.344 130.673 74.641 1.00 39.33 O +HETATM25992 O HOH K1926 16.635 97.618 89.813 1.00 38.50 O +HETATM25993 O HOH K1939 14.077 102.897 84.086 1.00 40.37 O +HETATM25994 O HOH K1951 41.937 132.561 71.594 1.00 41.39 O +HETATM25995 O HOH K1955 48.447 129.763 69.664 1.00 41.06 O +HETATM25996 O HOH K1973 43.595 136.565 82.017 1.00 42.34 O +HETATM25997 O HOH K2027 52.226 116.656 69.126 1.00 44.54 O +HETATM25998 O HOH K2029 16.587 107.757 99.920 1.00 43.72 O +HETATM25999 O HOH K2043 40.779 104.163 103.116 1.00 42.30 O +HETATM26000 O HOH K2055 37.749 103.148 82.600 1.00 45.95 O +HETATM26001 O HOH K2066 12.219 104.189 81.835 1.00 41.71 O +HETATM26002 O HOH K2083 55.155 108.474 94.354 1.00 45.46 O +HETATM26003 O HOH K2091 26.365 102.652 100.594 1.00 41.29 O +HETATM26004 O HOH K2094 19.222 138.147 86.238 1.00 47.18 O +HETATM26005 O HOH K2099 57.783 117.847 78.612 1.00 45.06 O +HETATM26006 O HOH K2102 53.972 114.967 87.578 1.00 46.48 O +HETATM26007 O HOH K2106 47.099 125.164 65.009 1.00 44.74 O +HETATM26008 O HOH K2129 45.203 99.391 79.332 1.00 49.66 O +HETATM26009 O HOH K2138 47.967 99.351 72.156 1.00 46.79 O +HETATM26010 O HOH K2140 24.948 130.271 79.201 1.00 43.64 O +HETATM26011 O HOH K2152 43.346 112.946 64.290 1.00 45.83 O +HETATM26012 O HOH K2153 15.221 96.894 92.553 1.00 47.18 O +HETATM26013 O HOH K2167 9.929 120.405 80.607 1.00 46.70 O +HETATM26014 O HOH K2192 39.804 133.330 72.274 1.00 44.27 O +HETATM26015 O HOH K2208 33.674 131.383 74.077 1.00 42.15 O +HETATM26016 O HOH K2235 50.408 97.570 71.053 1.00 49.99 O +HETATM26017 O HOH K2242 29.047 111.172 64.857 1.00 49.62 O +HETATM26018 O HOH K2257 43.109 127.075 64.443 1.00 40.68 O +HETATM26019 O HOH L 257 24.473 127.583 99.625 1.00 15.26 O +HETATM26020 O HOH L 258 24.437 121.105 100.492 1.00 17.92 O +HETATM26021 O HOH L 259 34.936 112.014 118.101 1.00 17.16 O +HETATM26022 O HOH L 260 29.569 144.429 115.512 1.00 19.44 O +HETATM26023 O HOH L 261 43.287 120.561 114.776 1.00 21.03 O +HETATM26024 O HOH L 262 30.763 117.737 115.120 1.00 21.11 O +HETATM26025 O HOH L 263 15.234 135.292 103.858 1.00 23.02 O +HETATM26026 O HOH L 264 38.821 110.540 110.578 1.00 19.90 O +HETATM26027 O HOH L 265 17.423 130.760 96.362 1.00 21.08 O +HETATM26028 O HOH L 266 34.573 109.326 112.987 1.00 21.37 O +HETATM26029 O HOH L 267 32.879 130.430 113.855 1.00 22.16 O +HETATM26030 O HOH L 268 17.197 139.434 107.957 1.00 19.85 O +HETATM26031 O HOH L 285 42.730 117.971 113.733 1.00 22.43 O +HETATM26032 O HOH L 292 33.177 113.743 117.770 1.00 23.99 O +HETATM26033 O HOH L 297 37.464 137.957 96.820 1.00 21.06 O +HETATM26034 O HOH L 307 40.920 115.114 119.286 1.00 21.63 O +HETATM26035 O HOH L 309 28.701 118.487 109.621 1.00 22.40 O +HETATM26036 O HOH L 316 31.723 109.746 110.142 1.00 24.03 O +HETATM26037 O HOH L 321 42.686 138.016 113.895 1.00 22.20 O +HETATM26038 O HOH L 326 21.028 113.306 100.713 1.00 21.28 O +HETATM26039 O HOH L 329 21.548 136.184 106.490 1.00 20.82 O +HETATM26040 O HOH L 350 44.753 116.792 112.149 1.00 23.85 O +HETATM26041 O HOH L 355 16.240 143.563 106.307 1.00 20.39 O +HETATM26042 O HOH L 362 28.383 108.226 103.881 1.00 23.30 O +HETATM26043 O HOH L 377 11.426 124.357 130.570 1.00 23.82 O +HETATM26044 O HOH L 385 17.899 136.935 92.112 1.00 27.20 O +HETATM26045 O HOH L 453 22.560 130.030 104.924 1.00 24.95 O +HETATM26046 O HOH L 466 32.896 107.690 108.847 1.00 24.76 O +HETATM26047 O HOH L 482 32.412 123.465 113.461 1.00 25.83 O +HETATM26048 O HOH L 500 33.914 148.296 108.131 1.00 21.96 O +HETATM26049 O HOH L 505 48.054 134.740 102.004 1.00 25.34 O +HETATM26050 O HOH L 509 32.322 141.507 116.512 1.00 24.92 O +HETATM26051 O HOH L 523 42.578 142.092 100.539 1.00 26.06 O +HETATM26052 O HOH L 548 24.233 129.147 107.182 1.00 23.87 O +HETATM26053 O HOH L 556 27.222 131.924 103.800 1.00 26.89 O +HETATM26054 O HOH L 588 20.840 133.847 91.597 1.00 25.55 O +HETATM26055 O HOH L 621 54.889 125.137 100.025 1.00 26.23 O +HETATM26056 O HOH L 622 39.899 144.359 105.206 1.00 27.51 O +HETATM26057 O HOH L 623 26.882 147.424 107.330 1.00 28.01 O +HETATM26058 O HOH L 634 22.987 148.325 97.161 1.00 28.48 O +HETATM26059 O HOH L 635 57.895 131.342 97.927 1.00 27.19 O +HETATM26060 O HOH L 658 31.167 107.756 104.136 1.00 28.04 O +HETATM26061 O HOH L 670 41.368 126.030 88.507 1.00 28.50 O +HETATM26062 O HOH L 703 42.678 110.652 105.673 1.00 25.74 O +HETATM26063 O HOH L 723 33.043 130.180 94.755 1.00 26.97 O +HETATM26064 O HOH L 729 26.171 146.936 93.617 1.00 28.42 O +HETATM26065 O HOH L 740 32.599 125.490 111.847 1.00 28.01 O +HETATM26066 O HOH L 743 40.583 109.006 114.937 1.00 31.50 O +HETATM26067 O HOH L 750 25.188 118.952 111.131 1.00 26.80 O +HETATM26068 O HOH L 756 49.010 131.908 84.456 1.00 29.65 O +HETATM26069 O HOH L 767 28.428 145.656 94.451 1.00 29.70 O +HETATM26070 O HOH L 801 31.213 137.672 110.549 1.00 29.83 O +HETATM26071 O HOH L 803 2.685 125.725 122.155 1.00 29.95 O +HETATM26072 O HOH L 849 35.481 107.594 105.526 1.00 30.86 O +HETATM26073 O HOH L 858 35.764 143.905 99.483 1.00 28.47 O +HETATM26074 O HOH L 861 26.025 116.910 109.793 1.00 29.55 O +HETATM26075 O HOH L 884 38.520 108.423 112.336 1.00 30.16 O +HETATM26076 O HOH L 895 35.769 107.442 111.756 1.00 36.44 O +HETATM26077 O HOH L 898 54.170 124.962 95.709 1.00 29.62 O +HETATM26078 O HOH L 899 22.495 143.232 93.138 1.00 31.02 O +HETATM26079 O HOH L 909 33.086 108.438 106.379 1.00 28.12 O +HETATM26080 O HOH L 910 39.150 128.582 95.251 1.00 30.88 O +HETATM26081 O HOH L 945 50.352 127.017 113.657 1.00 29.86 O +HETATM26082 O HOH L 996 31.061 128.466 94.124 1.00 30.17 O +HETATM26083 O HOH L1006 30.084 146.992 96.814 1.00 29.81 O +HETATM26084 O HOH L1026 23.488 133.949 107.793 1.00 28.44 O +HETATM26085 O HOH L1040 24.827 150.169 98.207 1.00 29.39 O +HETATM26086 O HOH L1042 48.201 140.341 98.179 1.00 29.84 O +HETATM26087 O HOH L1061 13.872 144.325 107.474 1.00 29.54 O +HETATM26088 O HOH L1072 50.766 122.418 112.148 1.00 30.73 O +HETATM26089 O HOH L1083 50.998 140.526 97.588 1.00 32.89 O +HETATM26090 O HOH L1114 29.925 125.383 110.016 1.00 32.29 O +HETATM26091 O HOH L1130 20.802 123.810 127.189 1.00 30.69 O +HETATM26092 O HOH L1136 19.772 143.517 93.682 1.00 34.08 O +HETATM26093 O HOH L1144 12.927 114.639 103.204 1.00 35.53 O +HETATM26094 O HOH L1154 37.602 112.639 110.940 1.00 35.27 O +HETATM26095 O HOH L1174 54.332 125.829 113.269 1.00 33.43 O +HETATM26096 O HOH L1199 33.597 145.462 114.097 1.00 32.30 O +HETATM26097 O HOH L1202 12.579 117.252 103.238 1.00 31.71 O +HETATM26098 O HOH L1220 20.614 123.508 107.682 1.00 32.82 O +HETATM26099 O HOH L1225 21.067 127.249 106.211 1.00 34.81 O +HETATM26100 O HOH L1227 27.110 150.674 96.659 1.00 31.28 O +HETATM26101 O HOH L1230 36.836 128.750 87.967 1.00 29.22 O +HETATM26102 O HOH L1243 27.993 125.579 112.775 1.00 34.47 O +HETATM26103 O HOH L1270 10.437 123.224 102.618 1.00 33.98 O +HETATM26104 O HOH L1277 31.837 144.651 116.003 1.00 31.56 O +HETATM26105 O HOH L1282 54.609 114.844 103.997 1.00 32.93 O +HETATM26106 O HOH L1307 19.379 146.205 93.750 1.00 39.77 O +HETATM26107 O HOH L1339 16.056 124.441 120.078 1.00 38.31 O +HETATM26108 O HOH L1347 53.732 124.774 104.012 1.00 39.06 O +HETATM26109 O HOH L1363 52.717 126.696 126.514 1.00 33.72 O +HETATM26110 O HOH L1372 44.671 125.887 125.436 1.00 34.63 O +HETATM26111 O HOH L1408 7.526 129.423 123.013 1.00 35.96 O +HETATM26112 O HOH L1416 46.719 136.038 88.514 1.00 35.97 O +HETATM26113 O HOH L1417 14.065 142.601 112.725 1.00 34.09 O +HETATM26114 O HOH L1444 9.818 127.171 100.232 1.00 34.72 O +HETATM26115 O HOH L1448 34.901 112.440 112.701 1.00 36.33 O +HETATM26116 O HOH L1455 30.585 120.991 115.558 1.00 39.20 O +HETATM26117 O HOH L1465 46.738 118.199 115.641 1.00 33.16 O +HETATM26118 O HOH L1469 5.392 124.247 124.657 1.00 36.02 O +HETATM26119 O HOH L1472 45.179 138.528 116.849 1.00 34.70 O +HETATM26120 O HOH L1493 11.839 135.266 110.317 1.00 34.08 O +HETATM26121 O HOH L1495 47.076 109.696 104.455 1.00 35.30 O +HETATM26122 O HOH L1513 40.523 134.987 92.198 1.00 36.33 O +HETATM26123 O HOH L1514 20.100 124.331 123.066 1.00 34.02 O +HETATM26124 O HOH L1524 22.245 146.629 114.506 1.00 35.70 O +HETATM26125 O HOH L1558 22.230 147.699 94.906 1.00 34.90 O +HETATM26126 O HOH L1567 8.632 128.231 132.850 1.00 35.45 O +HETATM26127 O HOH L1603 26.218 137.650 110.046 1.00 37.15 O +HETATM26128 O HOH L1610 45.099 132.929 82.461 1.00 36.06 O +HETATM26129 O HOH L1622 46.477 139.524 114.160 1.00 36.35 O +HETATM26130 O HOH L1635 50.811 124.297 105.558 1.00 38.55 O +HETATM26131 O HOH L1673 46.844 114.036 118.565 1.00 41.48 O +HETATM26132 O HOH L1683 13.356 116.555 114.146 1.00 33.20 O +HETATM26133 O HOH L1704 7.180 137.117 101.514 1.00 38.25 O +HETATM26134 O HOH L1705 27.706 153.271 97.865 1.00 37.68 O +HETATM26135 O HOH L1715 46.182 142.879 97.546 1.00 39.70 O +HETATM26136 O HOH L1751 54.541 122.818 101.603 1.00 39.43 O +HETATM26137 O HOH L1767 16.956 108.786 104.449 1.00 37.83 O +HETATM26138 O HOH L1769 30.784 150.575 102.477 1.00 40.77 O +HETATM26139 O HOH L1774 33.053 150.927 103.952 1.00 39.10 O +HETATM26140 O HOH L1780 48.574 108.385 113.518 1.00 40.24 O +HETATM26141 O HOH L1786 20.609 127.019 126.963 1.00 41.80 O +HETATM26142 O HOH L1790 34.349 149.353 111.690 1.00 38.84 O +HETATM26143 O HOH L1800 31.222 125.332 94.153 1.00 36.20 O +HETATM26144 O HOH L1822 10.893 128.172 131.016 1.00 37.33 O +HETATM26145 O HOH L1826 34.422 128.338 115.399 1.00 40.83 O +HETATM26146 O HOH L1852 32.738 126.963 117.149 1.00 37.96 O +HETATM26147 O HOH L1854 33.738 123.698 93.694 1.00 41.11 O +HETATM26148 O HOH L1860 42.955 108.255 103.576 1.00 40.98 O +HETATM26149 O HOH L1963 51.255 128.876 124.564 1.00 42.22 O +HETATM26150 O HOH L1964 51.003 112.476 111.025 1.00 44.02 O +HETATM26151 O HOH L1969 49.392 111.084 104.328 1.00 35.60 O +HETATM26152 O HOH L2009 22.335 148.864 111.620 1.00 45.14 O +HETATM26153 O HOH L2018 22.767 137.069 113.040 1.00 44.30 O +HETATM26154 O HOH L2022 34.920 128.894 85.402 1.00 41.97 O +HETATM26155 O HOH L2050 42.649 127.407 124.936 1.00 44.70 O +HETATM26156 O HOH L2061 53.832 137.559 96.494 1.00 44.54 O +HETATM26157 O HOH L2085 55.346 129.140 90.493 1.00 46.42 O +HETATM26158 O HOH L2087 56.129 139.034 108.270 1.00 44.08 O +HETATM26159 O HOH L2107 47.937 116.739 117.678 1.00 45.95 O +HETATM26160 O HOH L2110 56.546 125.033 120.401 1.00 47.74 O +HETATM26161 O HOH L2120 46.840 106.793 116.108 1.00 45.80 O +HETATM26162 O HOH L2128 5.840 134.285 113.653 1.00 41.51 O +HETATM26163 O HOH L2139 49.272 138.317 95.154 1.00 45.39 O +HETATM26164 O HOH L2141 52.399 122.908 120.152 1.00 47.61 O +HETATM26165 O HOH L2149 34.831 129.548 92.849 1.00 46.85 O +HETATM26166 O HOH L2156 9.297 141.260 100.852 1.00 50.66 O +HETATM26167 O HOH L2171 45.053 141.525 112.028 1.00 46.61 O +HETATM26168 O HOH L2199 11.398 131.834 114.197 1.00 44.46 O +HETATM26169 O HOH L2202 10.695 119.409 94.789 1.00 46.83 O +HETATM26170 O HOH L2210 21.933 143.481 113.806 1.00 49.59 O +HETATM26171 O HOH L2217 32.515 143.532 94.250 1.00 49.11 O +HETATM26172 O HOH L2241 48.971 137.834 92.183 1.00 48.19 O +CONECT 1 2 +CONECT 2 1 3 5 +CONECT 3 2 4 9 +CONECT 4 3 +CONECT 5 2 6 +CONECT 6 5 7 +CONECT 7 6 8 +CONECT 8 7 +CONECT 9 3 +CONECT 24223857 +CONECT 26023858 +CONECT 33523858 +CONECT 33623857 +CONECT 500 504 +CONECT 504 500 505 +CONECT 505 504 506 508 +CONECT 506 505 507 512 +CONECT 507 506 +CONECT 508 505 509 +CONECT 509 508 510 +CONECT 510 509 511 +CONECT 511 510 +CONECT 512 506 +CONECT 514 519 +CONECT 519 514 520 +CONECT 520 519 521 523 +CONECT 521 520 522 527 +CONECT 522 521 +CONECT 523 520 524 +CONECT 524 523 525 +CONECT 525 524 526 +CONECT 526 525 +CONECT 527 521 +CONECT 92523857 +CONECT 975 977 +CONECT 977 975 978 +CONECT 978 977 979 981 +CONECT 979 978 980 985 +CONECT 980 979 +CONECT 981 978 982 +CONECT 982 981 983 +CONECT 983 982 984 +CONECT 984 983 +CONECT 985 979 +CONECT 130823858 +CONECT 1324 1329 +CONECT 1329 1324 1330 +CONECT 1330 1329 1331 1333 +CONECT 1331 1330 1332 1337 +CONECT 1332 1331 +CONECT 1333 1330 1334 +CONECT 1334 1333 1335 +CONECT 1335 1334 1336 +CONECT 1336 1335 +CONECT 1337 1331 1338 +CONECT 1338 1337 1339 1341 +CONECT 1339 1338 1340 1345 +CONECT 1340 1339 +CONECT 1341 1338 1342 +CONECT 1342 1341 1343 +CONECT 1343 1342 1344 +CONECT 1344 1343 +CONECT 1345 1339 +CONECT 1902 1909 +CONECT 1909 1902 1910 +CONECT 1910 1909 1911 1913 +CONECT 1911 1910 1912 1917 +CONECT 1912 1911 +CONECT 1913 1910 1914 +CONECT 1914 1913 1915 +CONECT 1915 1914 1916 +CONECT 1916 1915 +CONECT 1917 1911 +CONECT 1980 1981 +CONECT 1981 1980 1982 1984 +CONECT 1982 1981 1983 1988 +CONECT 1983 1982 +CONECT 1984 1981 1985 +CONECT 1985 1984 1986 +CONECT 1986 1985 1987 +CONECT 1987 1986 +CONECT 1988 1982 +CONECT 221623861 +CONECT 223423862 +CONECT 230923862 +CONECT 231023861 +CONECT 2474 2478 +CONECT 2478 2474 2479 +CONECT 2479 2478 2480 2482 +CONECT 2480 2479 2481 2486 +CONECT 2481 2480 +CONECT 2482 2479 2483 +CONECT 2483 2482 2484 +CONECT 2484 2483 2485 +CONECT 2485 2484 +CONECT 2486 2480 +CONECT 2488 2493 +CONECT 2493 2488 2494 +CONECT 2494 2493 2495 2497 +CONECT 2495 2494 2496 2501 +CONECT 2496 2495 +CONECT 2497 2494 2498 +CONECT 2498 2497 2499 +CONECT 2499 2498 2500 +CONECT 2500 2499 +CONECT 2501 2495 +CONECT 289923861 +CONECT 2949 2951 +CONECT 2951 2949 2952 +CONECT 2952 2951 2953 2955 +CONECT 2953 2952 2954 2959 +CONECT 2954 2953 +CONECT 2955 2952 2956 +CONECT 2956 2955 2957 +CONECT 2957 2956 2958 +CONECT 2958 2957 +CONECT 2959 2953 +CONECT 327723862 +CONECT 327823862 +CONECT 3294 3299 +CONECT 3299 3294 3300 +CONECT 3300 3299 3301 3303 +CONECT 3301 3300 3302 3307 +CONECT 3302 3301 +CONECT 3303 3300 3304 +CONECT 3304 3303 3305 +CONECT 3305 3304 3306 +CONECT 3306 3305 +CONECT 3307 3301 3308 +CONECT 3308 3307 3309 3311 +CONECT 3309 3308 3310 3315 +CONECT 3310 3309 +CONECT 3311 3308 3312 +CONECT 3312 3311 3313 +CONECT 3313 3312 3314 +CONECT 3314 3313 +CONECT 3315 3309 +CONECT 3881 3888 +CONECT 3888 3881 3889 +CONECT 3889 3888 3890 3892 +CONECT 3890 3889 3891 3896 +CONECT 3891 3890 +CONECT 3892 3889 3893 +CONECT 3893 3892 3894 +CONECT 3894 3893 3895 +CONECT 3895 3894 +CONECT 3896 3890 +CONECT 3959 3960 +CONECT 3960 3959 3961 3963 +CONECT 3961 3960 3962 3967 +CONECT 3962 3961 +CONECT 3963 3960 3964 +CONECT 3964 3963 3965 +CONECT 3965 3964 3966 +CONECT 3966 3965 +CONECT 3967 3961 +CONECT 419523868 +CONECT 421323869 +CONECT 428823869 +CONECT 428923868 +CONECT 4459 4463 +CONECT 4463 4459 4464 +CONECT 4464 4463 4465 4467 +CONECT 4465 4464 4466 4471 +CONECT 4466 4465 +CONECT 4467 4464 4468 +CONECT 4468 4467 4469 +CONECT 4469 4468 4470 +CONECT 4470 4469 +CONECT 4471 4465 +CONECT 4473 4478 +CONECT 4478 4473 4479 +CONECT 4479 4478 4480 4482 +CONECT 4480 4479 4481 4486 +CONECT 4481 4480 +CONECT 4482 4479 4483 +CONECT 4483 4482 4484 +CONECT 4484 4483 4485 +CONECT 4485 4484 +CONECT 4486 4480 +CONECT 488423868 +CONECT 4934 4936 +CONECT 4936 4934 4937 +CONECT 4937 4936 4938 4940 +CONECT 4938 4937 4939 4944 +CONECT 4939 4938 +CONECT 4940 4937 4941 +CONECT 4941 4940 4942 +CONECT 4942 4941 4943 +CONECT 4943 4942 +CONECT 4944 4938 +CONECT 526723869 +CONECT 5283 5288 +CONECT 5288 5283 5289 +CONECT 5289 5288 5290 5292 +CONECT 5290 5289 5291 5296 +CONECT 5291 5290 +CONECT 5292 5289 5293 +CONECT 5293 5292 5294 +CONECT 5294 5293 5295 +CONECT 5295 5294 +CONECT 5296 5290 5297 +CONECT 5297 5296 5298 5300 +CONECT 5298 5297 5299 5304 +CONECT 5299 5298 +CONECT 5300 5297 5301 +CONECT 5301 5300 5302 +CONECT 5302 5301 5303 +CONECT 5303 5302 +CONECT 5304 5298 +CONECT 5870 5877 +CONECT 5877 5870 5878 +CONECT 5878 5877 5879 5881 +CONECT 5879 5878 5880 5885 +CONECT 5880 5879 +CONECT 5881 5878 5882 +CONECT 5882 5881 5883 +CONECT 5883 5882 5884 +CONECT 5884 5883 +CONECT 5885 5879 +CONECT 5948 5949 +CONECT 5949 5948 5950 5952 +CONECT 5950 5949 5951 5956 +CONECT 5951 5950 +CONECT 5952 5949 5953 +CONECT 5953 5952 5954 +CONECT 5954 5953 5955 +CONECT 5955 5954 +CONECT 5956 5950 +CONECT 618423880 +CONECT 620223881 +CONECT 627723881 +CONECT 627823880 +CONECT 6445 6449 +CONECT 6449 6445 6450 +CONECT 6450 6449 6451 6453 +CONECT 6451 6450 6452 6457 +CONECT 6452 6451 +CONECT 6453 6450 6454 +CONECT 6454 6453 6455 +CONECT 6455 6454 6456 +CONECT 6456 6455 +CONECT 6457 6451 +CONECT 6459 6464 +CONECT 6464 6459 6465 +CONECT 6465 6464 6466 6468 +CONECT 6466 6465 6467 6472 +CONECT 6467 6466 +CONECT 6468 6465 6469 +CONECT 6469 6468 6470 +CONECT 6470 6469 6471 +CONECT 6471 6470 +CONECT 6472 6466 +CONECT 687023880 +CONECT 6920 6922 +CONECT 6922 6920 6923 +CONECT 6923 6922 6924 6926 +CONECT 6924 6923 6925 6930 +CONECT 6925 6924 +CONECT 6926 6923 6927 +CONECT 6927 6926 6928 +CONECT 6928 6927 6929 +CONECT 6929 6928 +CONECT 6930 6924 +CONECT 725323881 +CONECT 7269 7274 +CONECT 7274 7269 7275 +CONECT 7275 7274 7276 7278 +CONECT 7276 7275 7277 7282 +CONECT 7277 7276 +CONECT 7278 7275 7279 +CONECT 7279 7278 7280 +CONECT 7280 7279 7281 +CONECT 7281 7280 +CONECT 7282 7276 7283 +CONECT 7283 7282 7284 7286 +CONECT 7284 7283 7285 7290 +CONECT 7285 7284 +CONECT 7286 7283 7287 +CONECT 7287 7286 7288 +CONECT 7288 7287 7289 +CONECT 7289 7288 +CONECT 7290 7284 +CONECT 757823882 +CONECT 7853 7860 +CONECT 7860 7853 7861 +CONECT 7861 7860 7862 7864 +CONECT 7862 7861 7863 7868 +CONECT 7863 7862 +CONECT 7864 7861 7865 +CONECT 7865 7864 7866 +CONECT 7866 7865 7867 +CONECT 7867 7866 +CONECT 7868 7862 +CONECT 7938 7939 +CONECT 7939 7938 7940 7942 +CONECT 7940 7939 7941 7946 +CONECT 7941 7940 +CONECT 7942 7939 7943 +CONECT 7943 7942 7944 +CONECT 7944 7943 7945 +CONECT 7945 7944 +CONECT 7946 7940 +CONECT 817823893 +CONECT 819623894 +CONECT 827123894 +CONECT 827223893 +CONECT 8439 8443 +CONECT 8443 8439 8444 +CONECT 8444 8443 8445 8447 +CONECT 8445 8444 8446 8451 +CONECT 8446 8445 +CONECT 8447 8444 8448 +CONECT 8448 8447 8449 +CONECT 8449 8448 8450 +CONECT 8450 8449 +CONECT 8451 8445 +CONECT 8453 8458 +CONECT 8458 8453 8459 +CONECT 8459 8458 8460 8462 +CONECT 8460 8459 8461 8466 +CONECT 8461 8460 +CONECT 8462 8459 8463 +CONECT 8463 8462 8464 +CONECT 8464 8463 8465 +CONECT 8465 8464 +CONECT 8466 8460 +CONECT 886423893 +CONECT 8914 8916 +CONECT 8916 8914 8917 +CONECT 8917 8916 8918 8920 +CONECT 8918 8917 8919 8924 +CONECT 8919 8918 +CONECT 8920 8917 8921 +CONECT 8921 8920 8922 +CONECT 8922 8921 8923 +CONECT 8923 8922 +CONECT 8924 8918 +CONECT 925323894 +CONECT 9269 9274 +CONECT 9274 9269 9275 +CONECT 9275 9274 9276 9278 +CONECT 9276 9275 9277 9282 +CONECT 9277 9276 +CONECT 9278 9275 9279 +CONECT 9279 9278 9280 +CONECT 9280 9279 9281 +CONECT 9281 9280 +CONECT 9282 9276 9283 +CONECT 9283 9282 9284 9286 +CONECT 9284 9283 9285 9290 +CONECT 9285 9284 +CONECT 9286 9283 9287 +CONECT 9287 9286 9288 +CONECT 9288 9287 9289 +CONECT 9289 9288 +CONECT 9290 9284 +CONECT 958323895 +CONECT 9852 9859 +CONECT 9859 9852 9860 +CONECT 9860 9859 9861 9863 +CONECT 9861 9860 9862 9867 +CONECT 9862 9861 +CONECT 9863 9860 9864 +CONECT 9864 9863 9865 +CONECT 9865 9864 9866 +CONECT 9866 9865 +CONECT 9867 9861 +CONECT 9932 9934 +CONECT 9934 9932 9935 +CONECT 9935 9934 9936 9938 +CONECT 9936 9935 9937 9942 +CONECT 9937 9936 +CONECT 9938 9935 9939 +CONECT 9939 9938 9940 +CONECT 9940 9939 9941 +CONECT 9941 9940 +CONECT 9942 9936 +CONECT1017423903 +CONECT1019223904 +CONECT1026723904 +CONECT1026823903 +CONECT1043210436 +CONECT104361043210437 +CONECT10437104361043810440 +CONECT10438104371043910444 +CONECT1043910438 +CONECT104401043710441 +CONECT104411044010442 +CONECT104421044110443 +CONECT1044310442 +CONECT1044410438 +CONECT1044610451 +CONECT104511044610452 +CONECT10452104511045310455 +CONECT10453104521045410459 +CONECT1045410453 +CONECT104551045210456 +CONECT104561045510457 +CONECT104571045610458 +CONECT1045810457 +CONECT1045910453 +CONECT1085723903 +CONECT1090710909 +CONECT109091090710910 +CONECT10910109091091110913 +CONECT10911109101091210917 +CONECT1091210911 +CONECT109131091010914 +CONECT109141091310915 +CONECT109151091410916 +CONECT1091610915 +CONECT1091710911 +CONECT1124023904 +CONECT1125611261 +CONECT112611125611262 +CONECT11262112611126311265 +CONECT11263112621126411269 +CONECT1126411263 +CONECT112651126211266 +CONECT112661126511267 +CONECT112671126611268 +CONECT1126811267 +CONECT112691126311270 +CONECT11270112691127111273 +CONECT11271112701127211277 +CONECT1127211271 +CONECT112731127011274 +CONECT112741127311275 +CONECT112751127411276 +CONECT1127611275 +CONECT1127711271 +CONECT1183811845 +CONECT118451183811846 +CONECT11846118451184711849 +CONECT11847118461184811853 +CONECT1184811847 +CONECT118491184611850 +CONECT118501184911851 +CONECT118511185011852 +CONECT1185211851 +CONECT1185311847 +CONECT1191611917 +CONECT11917119161191811920 +CONECT11918119171191911924 +CONECT1191911918 +CONECT119201191711921 +CONECT119211192011922 +CONECT119221192111923 +CONECT1192311922 +CONECT1192411918 +CONECT1215623907 +CONECT1217423908 +CONECT1224923908 +CONECT1225023907 +CONECT1241712421 +CONECT124211241712422 +CONECT12422124211242312425 +CONECT12423124221242412429 +CONECT1242412423 +CONECT124251242212426 +CONECT124261242512427 +CONECT124271242612428 +CONECT1242812427 +CONECT1242912423 +CONECT1243112436 +CONECT124361243112437 +CONECT12437124361243812440 +CONECT12438124371243912444 +CONECT1243912438 +CONECT124401243712441 +CONECT124411244012442 +CONECT124421244112443 +CONECT1244312442 +CONECT1244412438 +CONECT1284223907 +CONECT1289212894 +CONECT128941289212895 +CONECT12895128941289612898 +CONECT12896128951289712902 +CONECT1289712896 +CONECT128981289512899 +CONECT128991289812900 +CONECT129001289912901 +CONECT1290112900 +CONECT1290212896 +CONECT1322523908 +CONECT1324113246 +CONECT132461324113247 +CONECT13247132461324813250 +CONECT13248132471324913254 +CONECT1324913248 +CONECT132501324713251 +CONECT132511325013252 +CONECT132521325113253 +CONECT1325313252 +CONECT132541324813255 +CONECT13255132541325613258 +CONECT13256132551325713262 +CONECT1325713256 +CONECT132581325513259 +CONECT132591325813260 +CONECT132601325913261 +CONECT1326113260 +CONECT1326213256 +CONECT1382313830 +CONECT138301382313831 +CONECT13831138301383213834 +CONECT13832138311383313838 +CONECT1383313832 +CONECT138341383113835 +CONECT138351383413836 +CONECT138361383513837 +CONECT1383713836 +CONECT1383813832 +CONECT1390113902 +CONECT13902139011390313905 +CONECT13903139021390413909 +CONECT1390413903 +CONECT139051390213906 +CONECT139061390513907 +CONECT139071390613908 +CONECT1390813907 +CONECT1390913903 +CONECT1414123915 +CONECT1415923916 +CONECT1423423916 +CONECT1423523915 +CONECT1440514409 +CONECT144091440514410 +CONECT14410144091441114413 +CONECT14411144101441214417 +CONECT1441214411 +CONECT144131441014414 +CONECT144141441314415 +CONECT144151441414416 +CONECT1441614415 +CONECT1441714411 +CONECT1441914424 +CONECT144241441914425 +CONECT14425144241442614428 +CONECT14426144251442714432 +CONECT1442714426 +CONECT144281442514429 +CONECT144291442814430 +CONECT144301442914431 +CONECT1443114430 +CONECT1443214426 +CONECT1483423915 +CONECT1488414886 +CONECT148861488414887 +CONECT14887148861488814890 +CONECT14888148871488914894 +CONECT1488914888 +CONECT148901488714891 +CONECT148911489014892 +CONECT148921489114893 +CONECT1489314892 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240 +END diff --git a/tracking/data/HEM.cif b/tracking/data/HEM.cif new file mode 100644 index 000000000..f7274793a --- /dev/null +++ b/tracking/data/HEM.cif @@ -0,0 +1,511 @@ +# +data_comp_list +loop_ +_chem_comp.id +_chem_comp.three_letter_code +_chem_comp.name +_chem_comp.group +_chem_comp.number_atoms_all +_chem_comp.number_atoms_nh +_chem_comp.desc_level +HEM . 'heme-(porphirin-IX) ' non-polymer 73 43 . +# +data_comp_HEM +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.type_energy +_chem_comp_atom.partial_charge + HEM CHA C CR1H 0.030 + HEM HHA H HCR1 0.010 + HEM C1A C CR5 0.030 + HEM C2A C CR5 -0.020 + HEM CAA C CH2 -0.010 + HEM HAA1 H HCH2 0.025 + HEM HAA2 H HCH2 0.025 + HEM CBA C CH2 -0.020 + HEM HBA1 H HCH2 0.000 + HEM HBA2 H HCH2 0.000 + HEM CGA C C 0.300 + HEM O1A O OC -0.210 + HEM O2A O OC -0.210 + HEM C3A C CR5 0.020 + HEM CMA C CH3 -0.100 + HEM HMA1 H HCH3 0.020 + HEM HMA2 H HCH3 0.020 + HEM HMA3 H HCH3 0.020 + HEM C4A C CR5 0.020 + HEM NA N NPA -0.180 + HEM CHB C CR1H 0.030 + HEM HHB H HCR1 0.010 + HEM C1B C CR5 0.030 + HEM C2B C CR5 0.020 + HEM CMB C CH3 -0.100 + HEM HMB1 H HCH3 0.020 + HEM HMB2 H HCH3 0.020 + HEM HMB3 H HCH3 0.020 + HEM C3B C CR5 -0.050 + HEM CAB C C1 0.020 + HEM HAB H HC1 0.010 + HEM CBB C C2 -0.050 + HEM HBB1 H HC2 0.010 + HEM HBB2 H HC2 0.010 + HEM C4B C CR5 0.020 + HEM NB N NPB -0.180 + HEM CHC C CR1H 0.030 + HEM HHC H HCR1 0.010 + HEM C1C C CR5 0.030 + HEM C2C C CR5 0.020 + HEM CMC C CH3 -0.100 + HEM HMC1 H HCH3 0.020 + HEM HMC2 H HCH3 0.020 + HEM HMC3 H HCH3 0.020 + HEM C3C C CR5 -0.050 + HEM CAC C C1 0.020 + HEM HAC H HC1 0.010 + HEM CBC C C2 -0.050 + HEM HBC1 H HC2 0.010 + HEM HBC2 H HC2 0.010 + HEM C4C C CR5 0.020 + HEM NC N NPA -0.180 + HEM CHD C CR1H 0.030 + HEM HHD H HCR1 0.010 + HEM C1D C CR5 0.030 + HEM C2D C CR5 0.020 + HEM CMD C CH3 -0.100 + HEM HMD1 H HCH3 0.020 + HEM HMD2 H HCH3 0.020 + HEM HMD3 H HCH3 0.020 + HEM C3D C CR5 -0.020 + HEM CAD C CH2 -0.010 + HEM HAD1 H HCH2 0.025 + HEM HAD2 H HCH2 0.025 + HEM CBD C CH2 -0.020 + HEM HBD1 H HCH2 0.000 + HEM HBD2 H HCH2 0.000 + HEM CGD C C 0.300 + HEM O1D O OC -0.210 + HEM O2D O OC -0.210 + HEM C4D C CR5 0.020 + HEM ND N NPB -0.180 + HEM FE FE FE 0.240 +loop_ +_chem_comp_tree.comp_id +_chem_comp_tree.atom_id +_chem_comp_tree.atom_back +_chem_comp_tree.atom_forward +_chem_comp_tree.connect_type + HEM CHA n/a C1A START + HEM HHA CHA . . + HEM C1A CHA C2A . + HEM C2A C1A C3A . + HEM CAA C2A CBA . + HEM HAA1 CAA . . + HEM HAA2 CAA . . + HEM CBA CAA CGA . + HEM HBA1 CBA . . + HEM HBA2 CBA . . + HEM CGA CBA O2A . + HEM O1A CGA . . + HEM O2A CGA . . + HEM C3A C2A C4A . + HEM CMA C3A HMA3 . + HEM HMA1 CMA . . + HEM HMA2 CMA . . + HEM HMA3 CMA . . + HEM C4A C3A CHB . + HEM NA C4A . . + HEM CHB C4A C1B . + HEM HHB CHB . . + HEM C1B CHB C2B . + HEM C2B C1B C3B . + HEM CMB C2B HMB3 . + HEM HMB1 CMB . . + HEM HMB2 CMB . . + HEM HMB3 CMB . . + HEM C3B C2B C4B . + HEM CAB C3B CBB . + HEM HAB CAB . . + HEM CBB CAB HBB2 . + HEM HBB1 CBB . . + HEM HBB2 CBB . . + HEM C4B C3B CHC . + HEM NB C4B . . + HEM CHC C4B C1C . + HEM HHC CHC . . + HEM C1C CHC C2C . + HEM C2C C1C C3C . + HEM CMC C2C HMC3 . + HEM HMC1 CMC . . + HEM HMC2 CMC . . + HEM HMC3 CMC . . + HEM C3C C2C C4C . + HEM CAC C3C CBC . + HEM HAC CAC . . + HEM CBC CAC HBC2 . + HEM HBC1 CBC . . + HEM HBC2 CBC . . + HEM C4C C3C CHD . + HEM NC C4C . . + HEM CHD C4C C1D . + HEM HHD CHD . . + HEM C1D CHD C2D . + HEM C2D C1D C3D . + HEM CMD C2D HMD3 . + HEM HMD1 CMD . . + HEM HMD2 CMD . . + HEM HMD3 CMD . . + HEM C3D C2D C4D . + HEM CAD C3D CBD . + HEM HAD1 CAD . . + HEM HAD2 CAD . . + HEM CBD CAD CGD . + HEM HBD1 CBD . . + HEM HBD2 CBD . . + HEM CGD CBD O2D . + HEM O1D CGD . . + HEM O2D CGD . . + HEM C4D C3D ND . + HEM ND C4D FE . + HEM FE ND . END + HEM C4D CHA . ADD + HEM C1A NA . ADD + HEM C1B NB . ADD + HEM C1C NC . ADD + HEM C1D ND . ADD + HEM FE NA . ADD + HEM FE NB . ADD + HEM FE NC . ADD +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.type +_chem_comp_bond.value_dist +_chem_comp_bond.value_dist_esd + HEM CHA C1A coval 1.378 0.020 + HEM CHA HHA coval 0.980 0.020 + HEM C1A C2A coval 1.449 0.020 + HEM C1A NA coval 1.384 0.020 + HEM C2A CAA coval 1.544 0.020 + HEM C2A C3A coval 1.334 0.020 + HEM CAA CBA coval 1.525 0.020 + HEM CAA HAA1 coval 0.970 0.020 + HEM CAA HAA2 coval 0.970 0.020 + HEM CBA CGA coval 1.506 0.020 + HEM CBA HBA1 coval 0.970 0.020 + HEM CBA HBA2 coval 0.970 0.020 + HEM CGA O1A coval 1.258 0.020 + HEM CGA O2A coval 1.258 0.020 + HEM C3A CMA coval 1.544 0.020 + HEM C3A C4A coval 1.449 0.020 + HEM CMA HMA1 coval 0.980 0.020 + HEM CMA HMA2 coval 0.980 0.020 + HEM CMA HMA3 coval 0.980 0.020 + HEM C4A NA coval 1.384 0.020 + HEM C4A CHB coval 1.378 0.020 + HEM CHB C1B coval 1.378 0.020 + HEM CHB HHB coval 0.980 0.020 + HEM C1B C2B coval 1.449 0.020 + HEM C1B NB coval 1.384 0.020 + HEM C2B CMB coval 1.544 0.020 + HEM C2B C3B coval 1.334 0.020 + HEM CMB HMB1 coval 0.970 0.020 + HEM CMB HMB2 coval 0.970 0.020 + HEM CMB HMB3 coval 0.970 0.020 + HEM C3B CAB coval 1.544 0.020 + HEM C3B C4B coval 1.449 0.020 + HEM CAB CBB coval 1.337 0.020 + HEM CAB HAB coval 0.960 0.020 + HEM CBB HBB1 coval 0.970 0.020 + HEM CBB HBB2 coval 0.970 0.020 + HEM C4B NB coval 1.384 0.020 + HEM C4B CHC coval 1.378 0.020 + HEM CHC C1C coval 1.378 0.020 + HEM CHC HHC coval 0.980 0.020 + HEM C1C C2C coval 1.449 0.020 + HEM C1C NC coval 1.384 0.020 + HEM C2C CMC coval 1.544 0.020 + HEM C2C C3C coval 1.334 0.020 + HEM CMC HMC1 coval 0.970 0.020 + HEM CMC HMC2 coval 0.970 0.020 + HEM CMC HMC3 coval 0.970 0.020 + HEM C3C CAC coval 1.544 0.020 + HEM C3C C4C coval 1.449 0.020 + HEM CAC CBC coval 1.337 0.020 + HEM CAC HAC coval 0.960 0.020 + HEM CBC HBC1 coval 0.970 0.020 + HEM CBC HBC2 coval 0.970 0.020 + HEM C4C NC coval 1.384 0.020 + HEM C4C CHD coval 1.378 0.020 + HEM CHD HHD coval 0.980 0.020 + HEM C3D C2D coval 1.544 0.020 + HEM C2D CMD coval 1.544 0.020 + HEM C2D C1D coval 1.449 0.020 + HEM CMD HMD1 coval 0.980 0.020 + HEM CMD HMD2 coval 0.980 0.020 + HEM CMD HMD3 coval 0.980 0.020 + HEM C1D ND coval 1.384 0.020 + HEM C1D CHD coval 1.378 0.020 + HEM CHA C4D coval 1.378 0.020 + HEM C4D C3D coval 1.449 0.020 + HEM C4D ND coval 1.384 0.020 + HEM C3D CAD coval 1.544 0.020 + HEM CAD CBD coval 1.525 0.020 + HEM CAD HAD1 coval 0.970 0.020 + HEM CAD HAD2 coval 0.970 0.020 + HEM CBD CGD coval 1.506 0.020 + HEM CBD HBD1 coval 0.970 0.020 + HEM CBD HBD2 coval 0.970 0.020 + HEM CGD O1D coval 1.258 0.020 + HEM CGD O2D coval 1.258 0.020 + HEM FE NA metal 2.080 0.070 + HEM FE NB metal 2.080 0.070 + HEM FE NC metal 2.080 0.070 + HEM FE ND metal 2.080 0.070 +loop_ +_chem_comp_angle.comp_id +_chem_comp_angle.atom_id_1 +_chem_comp_angle.atom_id_2 +_chem_comp_angle.atom_id_3 +_chem_comp_angle.value_angle +_chem_comp_angle.value_angle_esd + HEM C4D CHA C1A 126.000 3.000 + HEM HHA CHA C1A 117.000 3.000 + HEM HHA CHA C4D 117.000 3.000 + HEM CHA C1A C2A 126.000 3.000 + HEM CHA C1A NA 126.000 3.000 + HEM C2A C1A NA 108.000 3.000 + HEM CHA C4D C3D 126.000 3.000 + HEM CHA C4D ND 126.000 3.000 + HEM C3D C4D ND 108.000 3.000 + HEM C1A C2A CAA 126.000 3.000 + HEM CAA C2A C3A 126.000 3.000 + HEM C1A C2A C3A 108.000 3.000 + HEM C4D C3D CAD 126.000 3.000 + HEM CAD C3D C2D 126.000 3.000 + HEM C4D C3D C2D 108.000 3.000 + HEM C2A CAA CBA 109.500 3.000 + HEM C2A CAA HAA1 109.500 3.000 + HEM C2A CAA HAA2 109.500 3.000 + HEM CBA CAA HAA1 109.500 3.000 + HEM CBA CAA HAA2 109.500 3.000 + HEM HAA1 CAA HAA2 109.500 3.000 + HEM C3D CAD CBD 109.500 3.000 + HEM C3D CAD HAD1 109.500 3.000 + HEM C3D CAD HAD2 109.500 3.000 + HEM CBD CAD HAD1 109.500 3.000 + HEM CBD CAD HAD2 109.500 3.000 + HEM HAD1 CAD HAD2 109.500 3.000 + HEM CAA CBA CGA 109.500 3.000 + HEM CAA CBA HBA1 109.500 3.000 + HEM CAA CBA HBA2 109.500 3.000 + HEM CGA CBA HBA1 109.500 3.000 + HEM CGA CBA HBA2 109.500 3.000 + HEM HBA1 CBA HBA2 109.500 3.000 + HEM CAD CBD CGD 109.500 3.000 + HEM CAD CBD HBD1 109.500 3.000 + HEM CAD CBD HBD2 109.500 3.000 + HEM CGD CBD HBD1 109.500 3.000 + HEM CGD CBD HBD2 109.500 3.000 + HEM HBD1 CBD HBD2 109.500 3.000 + HEM CBA CGA O1A 118.500 3.000 + HEM CBA CGA O2A 118.500 3.000 + HEM O1A CGA O2A 123.000 3.000 + HEM CBD CGD O1D 118.500 3.000 + HEM CBD CGD O2D 118.500 3.000 + HEM O1D CGD O2D 123.000 3.000 + HEM C2A C3A CMA 126.000 3.000 + HEM C2A C3A C4A 108.000 3.000 + HEM C4A C3A CMA 126.000 3.000 + HEM C3D C2D CMD 126.000 3.000 + HEM C3D C2D C1D 108.000 3.000 + HEM C1D C2D CMD 126.000 3.000 + HEM C3A CMA HMA1 109.500 3.000 + HEM C3A CMA HMA2 109.500 3.000 + HEM C3A CMA HMA3 109.500 3.000 + HEM HMA1 CMA HMA2 109.500 3.000 + HEM HMA1 CMA HMA3 109.500 3.000 + HEM HMA2 CMA HMA3 109.500 3.000 + HEM C2D CMD HMD1 109.500 3.000 + HEM C2D CMD HMD2 109.500 3.000 + HEM C2D CMD HMD3 109.500 3.000 + HEM HMD1 CMD HMD2 109.500 3.000 + HEM HMD1 CMD HMD3 109.500 3.000 + HEM HMD2 CMD HMD3 109.500 3.000 + HEM C3A C4A CHB 126.000 3.000 + HEM C3A C4A NA 108.000 3.000 + HEM NA C4A CHB 126.000 3.000 + HEM C2D C1D CHD 126.000 3.000 + HEM C2D C1D ND 108.000 3.000 + HEM ND C1D CHD 126.000 3.000 + HEM C1A NA C4A 108.000 3.000 + HEM C1A NA FE 126.000 10.000 + HEM FE NA C4A 126.000 10.000 + HEM C4D ND FE 126.000 10.000 + HEM FE ND C1D 126.000 10.000 + HEM C4D ND C1D 108.000 3.000 + HEM C4A CHB C1B 126.000 3.000 + HEM HHB CHB C1B 117.000 3.000 + HEM HHB CHB C4A 117.000 3.000 + HEM C4C CHD C1D 126.000 3.000 + HEM HHD CHD C1D 117.000 3.000 + HEM HHD CHD C4C 117.000 3.000 + HEM CHB C1B C2B 126.000 3.000 + HEM CHB C1B NB 126.000 3.000 + HEM C2B C1B NB 108.000 3.000 + HEM CHC C1C C2C 126.000 3.000 + HEM CHC C1C NC 126.000 3.000 + HEM C2C C1C NC 108.000 3.000 + HEM C1B C2B CMB 126.000 3.000 + HEM CMB C2B C3B 126.000 3.000 + HEM C1B C2B C3B 108.000 3.000 + HEM C1C C2C CMC 126.000 3.000 + HEM CMC C2C C3C 126.000 3.000 + HEM C1C C2C C3C 108.000 3.000 + HEM C2B CMB HMB1 109.500 3.000 + HEM C2B CMB HMB2 109.500 3.000 + HEM C2B CMB HMB3 109.500 3.000 + HEM HMB1 CMB HMB2 109.500 3.000 + HEM HMB1 CMB HMB3 109.500 3.000 + HEM HMB2 CMB HMB3 109.500 3.000 + HEM C2C CMC HMC1 109.500 3.000 + HEM C2C CMC HMC2 109.500 3.000 + HEM C2C CMC HMC3 109.500 3.000 + HEM HMC1 CMC HMC2 109.500 3.000 + HEM HMC1 CMC HMC3 109.500 3.000 + HEM HMC2 CMC HMC3 109.500 3.000 + HEM C2B C3B CAB 126.000 3.000 + HEM C4B C3B CAB 126.000 3.000 + HEM C4B C3B C2B 108.000 3.000 + HEM C2C C3C CAC 126.000 3.000 + HEM C4C C3C CAC 126.000 3.000 + HEM C4C C3C C2C 108.000 3.000 + HEM C3B CAB CBB 120.000 3.000 + HEM C3B CAB HAB 120.000 3.000 + HEM HAB CAB CBB 120.000 3.000 + HEM CAB CBB HBB1 120.000 3.000 + HEM CAB CBB HBB2 120.000 3.000 + HEM HBB1 CBB HBB2 120.000 3.000 + HEM C3C CAC CBC 120.000 3.000 + HEM C3C CAC HAC 120.000 3.000 + HEM HAC CAC CBC 120.000 3.000 + HEM CAC CBC HBC1 120.000 3.000 + HEM CAC CBC HBC2 120.000 3.000 + HEM HBC1 CBC HBC2 120.000 3.000 + HEM C3B C4B CHC 126.000 3.000 + HEM CHC C4B NB 126.000 3.000 + HEM NB C4B C3B 108.000 3.000 + HEM C3C C4C CHD 126.000 3.000 + HEM CHD C4C NC 126.000 3.000 + HEM NC C4C C3C 108.000 3.000 + HEM C4B NB C1B 108.000 3.000 + HEM C4B CHC C1C 126.000 3.000 + HEM HHC CHC C1C 117.000 3.000 + HEM HHC CHC C4B 117.000 3.000 + HEM C4C NC C1C 108.000 3.000 + HEM C4B NB FE 126.000 10.000 + HEM FE NB C1B 126.000 10.000 + HEM C4C NC FE 126.000 10.000 + HEM FE NC C1C 126.000 10.000 + HEM NA FE NB 90.000 10.000 + HEM NA FE ND 90.000 10.000 + HEM NB FE NC 90.000 10.000 + HEM NC FE ND 90.000 10.000 + HEM NB FE ND 180.000 10.000 + HEM NA FE NC 180.000 10.000 +loop_ +_chem_comp_tor.comp_id +_chem_comp_tor.id +_chem_comp_tor.atom_id_1 +_chem_comp_tor.atom_id_2 +_chem_comp_tor.atom_id_3 +_chem_comp_tor.atom_id_4 +_chem_comp_tor.value_angle +_chem_comp_tor.value_angle_esd +_chem_comp_tor.period + HEM CONST_20 HHA CHA C1A C2A 0.000 0.000 0 + HEM CONST_01 CHA C1A C2A C3A 180.000 0.000 0 + HEM chi1 C1A C2A CAA CBA 180.000 20.000 2 + HEM chi2 C2A CAA CBA CGA 180.000 20.000 2 + HEM chi3 CAA CBA CGA O2A 180.000 20.000 2 + HEM CONST_02 C1A C2A C3A C4A 0.000 0.000 0 + HEM hh1 C2A C3A CMA HMA3 60.000 20.000 3 + HEM CONST_03 C2A C3A C4A CHB 180.000 0.000 0 + HEM CONST_04 C3A C4A CHB C1B 180.000 0.000 0 + HEM CONST_05 C4A CHB C1B C2B 180.000 0.000 0 + HEM CONST_06 CHB C1B C2B C3B 180.000 0.000 0 + HEM hh2 C1B C2B CMB HMB3 60.000 20.000 3 + HEM CONST_07 C1B C2B C3B C4B 0.000 0.000 0 + HEM chi4 C2B C3B CAB CBB 180.000 10.000 2 + HEM hh3 C3B CAB CBB HBB2 0.000 20.000 2 + HEM CONST_08 C2B C3B C4B CHC 180.000 0.000 0 + HEM CONST_09 C3B C4B CHC C1C 180.000 0.000 0 + HEM CONST_10 C4B CHC C1C C2C 180.000 0.000 0 + HEM CONST_11 CHC C1C C2C C3C 180.000 0.000 0 + HEM hh4 C1C C2C CMC HMC3 60.000 20.000 3 + HEM CONST_12 C1C C2C C3C C4C 0.000 0.000 0 + HEM chi5 C2C C3C CAC CBC 180.000 10.000 2 + HEM hh5 C3C CAC CBC HBC2 0.000 20.000 2 + HEM CONST_13 C2C C3C C4C CHD 180.000 0.000 0 + HEM CONST_14 C3C C4C CHD C1D 180.000 0.000 0 + HEM CONST_15 C4C CHD C1D C2D 180.000 0.000 0 + HEM CONST_16 CHD C1D C2D C3D 180.000 0.000 0 + HEM hh6 C1D C2D CMD HMD3 60.000 20.000 3 + HEM CONST_17 C1D C2D C3D C4D 0.000 0.000 0 + HEM chi6 C2D C3D CAD CBD 180.000 20.000 2 + HEM chi7 C3D CAD CBD CGD 180.000 20.000 2 + HEM chi8 CAD CBD CGD O2D 180.000 20.000 2 + HEM CONST_18 C2D C3D C4D ND 0.000 0.000 0 + HEM CONST_19 C3D C4D ND FE 180.000 0.000 0 +loop_ +_chem_comp_plane_atom.comp_id +_chem_comp_plane_atom.plane_id +_chem_comp_plane_atom.atom_id +_chem_comp_plane_atom.dist_esd + HEM A C1A 0.020 + HEM A NA 0.020 + HEM A C4A 0.020 + HEM A C3A 0.020 + HEM A CMA 0.020 + HEM A C2A 0.020 + HEM A CAA 0.020 + HEM A CHA 0.020 + HEM A CHB 0.020 + HEM B C1B 0.020 + HEM B NB 0.020 + HEM B C4B 0.020 + HEM B C3B 0.020 + HEM B CMB 0.020 + HEM B C2B 0.020 + HEM B CAB 0.020 + HEM B CHB 0.020 + HEM B CHC 0.020 + HEM C C1C 0.020 + HEM C NC 0.020 + HEM C C4C 0.020 + HEM C C3C 0.020 + HEM C CMC 0.020 + HEM C C2C 0.020 + HEM C CAC 0.020 + HEM C CHC 0.020 + HEM C CHD 0.020 + HEM D C1D 0.020 + HEM D ND 0.020 + HEM D C4D 0.020 + HEM D C3D 0.020 + HEM D CMD 0.020 + HEM D C2D 0.020 + HEM D CAD 0.020 + HEM D CHD 0.020 + HEM D CHA 0.020 + HEM plan1 CBD 0.020 + HEM plan1 CGD 0.020 + HEM plan1 O1D 0.020 + HEM plan1 O2D 0.020 + HEM plan2 CBA 0.020 + HEM plan2 CGA 0.020 + HEM plan2 O1A 0.020 + HEM plan2 O2A 0.020 diff --git a/tracking/data/VAX.cif b/tracking/data/VAX.cif new file mode 100644 index 000000000..84da03ade --- /dev/null +++ b/tracking/data/VAX.cif @@ -0,0 +1,1331 @@ +# +data_comp_list +loop_ +_chem_comp.id +_chem_comp.three_letter_code +_chem_comp.name +_chem_comp.group +_chem_comp.number_atoms_all +_chem_comp.number_atoms_nh +_chem_comp.desc_level +VAX VAX '4-EPI-VANCOSAMINYL DERIVATIVE OF VAN' non-polymer 202 111 . +# +data_comp_VAX +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.type_energy +_chem_comp_atom.partial_charge +_chem_comp_atom.x +_chem_comp_atom.y +_chem_comp_atom.z + VAX O80 O OC -0.500 0.000 0.000 0.000 + VAX C70 C C 0.000 0.759 0.841 -0.532 + VAX O71 O OC -0.500 1.787 0.523 -1.176 + VAX C69 C CH1 0.000 0.322 2.274 -0.519 + VAX H69 H H 0.000 0.978 2.928 -1.112 + VAX C72 C CR6 0.000 0.147 2.746 0.892 + VAX C73 C CR6 0.000 -0.923 3.703 1.318 + VAX C75 C CR6 0.000 -0.916 4.011 2.814 + VAX C76 C CR16 0.000 0.034 3.440 3.699 + VAX H76 H H 0.000 0.012 3.687 4.753 + VAX C77 C CR6 0.000 0.980 2.574 3.213 + VAX C74 C CR16 0.000 1.022 2.247 1.878 + VAX H74 H H 0.000 1.788 1.550 1.559 + VAX O78 O OH1 0.000 1.874 2.068 4.115 + VAX HO8 H H 0.000 2.488 1.474 3.662 + VAX O79 O OH1 0.000 -1.711 4.828 3.610 + VAX HO7 H H 0.000 -1.417 4.776 4.532 + VAX C50 C CR6 0.000 -1.874 4.274 0.473 + VAX C52 C CR6 0.000 -2.871 5.126 1.132 + VAX C51 C CR16 0.000 -3.844 5.626 0.355 + VAX H51 H H 0.000 -4.605 6.274 0.773 + VAX C49 C CR16 0.000 -3.858 5.306 -0.966 + VAX H49 H H 0.000 -4.739 5.684 -1.470 + VAX O53 O OH1 0.000 -3.173 5.594 2.374 + VAX HO3 H H 0.000 -2.528 5.256 3.011 + VAX C48 C CR16 0.000 -2.016 4.045 -0.937 + VAX H48 H H 0.000 -1.300 3.378 -1.402 + VAX C47 C CR6 0.000 -3.040 4.630 -1.805 + VAX N68 N NH1 0.000 -1.053 2.226 -1.033 + VAX HN8 H H 0.000 -1.752 2.713 -0.491 + VAX C56 C C 0.000 -1.485 1.608 -2.144 + VAX O57 O O 0.000 -0.702 0.872 -2.732 + VAX C55 C CH1 0.000 -2.841 1.877 -2.774 + VAX H55 H H 0.000 -3.327 2.609 -2.114 + VAX C58 C CH1 0.000 -3.744 0.666 -2.760 + VAX H58 H H 0.000 -3.635 0.142 -1.800 + VAX O59 O O2 0.000 -3.429 -0.205 -3.798 + VAX C81 C CH1 0.000 -3.886 -1.516 -3.689 + VAX H81 H H 0.000 -4.969 -1.532 -3.875 + VAX O82 O O2 0.000 -3.638 -2.009 -2.397 + VAX C83 C CH1 0.000 -2.276 -2.139 -2.037 + VAX H83 H H 0.000 -1.846 -1.130 -1.966 + VAX C85 C CH1 0.000 -1.453 -2.927 -3.033 + VAX H85 H H 0.000 -1.732 -3.987 -2.955 + VAX C87 C CT 0.000 -1.706 -2.463 -4.462 + VAX C90 C CH2 0.000 -3.198 -2.356 -4.740 + VAX H902 H H 0.000 -3.626 -3.360 -4.743 + VAX H901 H H 0.000 -3.338 -1.899 -5.722 + VAX C89 C CH3 0.000 -1.026 -1.151 -4.821 + VAX H893 H H 0.000 0.006 -1.215 -4.593 + VAX H892 H H 0.000 -1.148 -0.963 -5.856 + VAX H891 H H 0.000 -1.463 -0.364 -4.264 + VAX N88 N NT3 1.000 -1.119 -3.434 -5.422 + VAX HN83 H H 0.000 -0.102 -3.506 -5.258 + VAX HN82 H H 0.000 -1.557 -4.360 -5.286 + VAX HN81 H H 0.000 -1.291 -3.110 -6.387 + VAX O86 O OH1 0.000 -0.070 -2.789 -2.658 + VAX HO6 H H 0.000 0.398 -3.616 -2.838 + VAX C84 C CH3 0.000 -2.296 -2.743 -0.630 + VAX H843 H H 0.000 -2.789 -3.681 -0.653 + VAX H842 H H 0.000 -1.303 -2.876 -0.286 + VAX H841 H H 0.000 -2.811 -2.092 0.028 + VAX C60 C CR6 0.000 -5.159 1.098 -2.927 + VAX C61 C CR16 0.000 -5.722 1.031 -4.205 + VAX H61 H H 0.000 -5.105 0.698 -5.031 + VAX C63 C CR16 0.000 -7.033 1.372 -4.453 + VAX H63 H H 0.000 -7.423 1.305 -5.461 + VAX C65 C CR6 0.000 -7.848 1.798 -3.435 + VAX C64 C CR6 0.000 -7.293 1.852 -2.069 + VAX C62 C CR16 0.000 -5.963 1.504 -1.844 + VAX H62 H H 0.000 -5.550 1.545 -0.844 + VAX CL6 CL CL 0.000 -8.306 2.402 -0.699 + VAX O66 O O2 0.000 -9.150 2.105 -3.728 + VAX C39 C CR6 0.000 -9.567 3.413 -3.895 + VAX C37 C CR16 0.000 -8.634 4.428 -4.076 + VAX H37 H H 0.000 -7.609 4.077 -4.067 + VAX C41 C CR6 0.000 -10.955 3.842 -3.856 + VAX O42 O O2 0.000 -11.747 2.694 -3.661 + VAX 'C1'' C CH1 0.000 -12.260 2.277 -2.363 + VAX 'H1'' H H 0.000 -12.639 3.263 -2.058 + VAX 'C2'' C CH1 0.000 -13.554 1.536 -2.185 + VAX 'H2'' H H 0.000 -13.470 0.486 -2.499 + VAX 'C3'' C CH1 0.000 -14.090 1.667 -0.703 + VAX 'H3'' H H 0.000 -14.610 2.622 -0.543 + VAX 'C4'' C CH1 0.000 -13.025 1.418 0.372 + VAX 'H4'' H H 0.000 -12.678 0.379 0.282 + VAX 'C5'' C CH1 0.000 -11.853 2.328 0.147 + VAX 'H5'' H H 0.000 -12.186 3.372 0.227 + VAX 'C6'' C CH2 0.000 -10.686 2.090 1.126 + VAX 'H6'1' H H 0.000 -11.053 2.330 2.127 + VAX 'H6'2' H H 0.000 -9.891 2.787 0.854 + VAX 'O6'' O OH1 0.000 -10.178 0.756 1.112 + VAX 'HO6'' H H 0.000 -9.447 0.684 1.740 + VAX 'O5'' O O2 0.000 -11.332 2.090 -1.206 + VAX 'O4'' O OH1 0.000 -13.556 1.604 1.692 + VAX 'HO4'' H H 0.000 -13.877 0.758 2.033 + VAX 'O3'' O OH1 0.000 -14.984 0.550 -0.573 + VAX 'HO3'' H H 0.000 -15.731 0.798 -0.011 + VAX 'O2'' O O2 0.000 -14.574 2.225 -2.907 + VAX C1" C CH1 0.000 -15.110 1.561 -4.019 + VAX H1" H H 0.000 -14.909 0.488 -3.891 + VAX C2" C CH2 0.000 -16.615 1.744 -4.046 + VAX H2"1 H H 0.000 -16.971 1.566 -3.029 + VAX H2"2 H H 0.000 -17.013 0.973 -4.709 + VAX C3" C CT 0.000 -17.079 3.104 -4.515 + VAX C3M C CH3 0.000 -16.985 4.143 -3.405 + VAX H3M3 H H 0.000 -15.969 4.290 -3.145 + VAX H3M2 H H 0.000 -17.400 5.057 -3.741 + VAX H3M1 H H 0.000 -17.521 3.802 -2.557 + VAX C4" C CH1 0.000 -16.390 3.476 -5.817 + VAX H4" H H 0.000 -16.796 2.861 -6.632 + VAX C5" C CH1 0.000 -14.904 3.239 -5.705 + VAX H5" H H 0.000 -14.539 3.970 -4.970 + VAX C5M C CH3 0.000 -14.114 3.507 -6.987 + VAX H5M3 H H 0.000 -13.097 3.250 -6.837 + VAX H5M2 H H 0.000 -14.511 2.924 -7.777 + VAX H5M1 H H 0.000 -14.184 4.534 -7.238 + VAX O5" O O2 0.000 -14.487 1.970 -5.227 + VAX O4" O OH1 0.000 -16.570 4.872 -6.139 + VAX HO4" H H 0.000 -17.336 4.975 -6.722 + VAX N3" N NT3 1.000 -18.534 3.028 -4.782 + VAX HN33 H H 0.000 -18.869 3.945 -5.118 + VAX HN32 H H 0.000 -18.712 2.309 -5.502 + VAX HN31 H H 0.000 -19.029 2.776 -3.912 + VAX C40 C CR6 0.000 -11.087 5.339 -4.018 + VAX C38 C CR16 0.000 -10.082 6.286 -4.232 + VAX H38 H H 0.000 -10.314 7.336 -4.365 + VAX C36 C CR6 0.000 -8.748 5.815 -4.267 + VAX O22 O O2 0.000 -12.270 5.958 -3.995 + VAX C21 C CR6 0.000 -12.603 7.232 -3.631 + VAX C20 C CR16 0.000 -12.529 7.769 -2.383 + VAX H20 H H 0.000 -12.145 7.175 -1.562 + VAX C18 C CR16 0.000 -12.947 9.091 -2.155 + VAX H18 H H 0.000 -12.862 9.479 -1.147 + VAX C19 C CR6 0.000 -13.160 8.142 -4.663 + VAX CL2 CL CL 0.000 -13.322 7.501 -6.332 + VAX C17 C CR16 0.000 -13.548 9.477 -4.430 + VAX H17 H H 0.000 -13.894 10.103 -5.243 + VAX C16 C CR6 0.000 -13.478 9.961 -3.159 + VAX C14 C CH1 0.000 -13.659 11.318 -2.580 + VAX H14 H H 0.000 -13.542 12.089 -3.354 + VAX O15 O OH1 0.000 -14.869 11.620 -1.696 + VAX HO5 H H 0.000 -14.934 10.975 -0.969 + VAX N54 N NH1 0.000 -2.715 2.552 -4.081 + VAX HN5 H H 0.000 -2.280 2.023 -4.824 + VAX C45 C C 0.000 -3.129 3.829 -4.395 + VAX O46 O O 0.000 -3.121 4.195 -5.567 + VAX C44 C CH1 0.000 -3.855 4.482 -3.237 + VAX H44 H H 0.000 -4.457 3.608 -2.953 + VAX N43 N NH1 0.000 -4.974 5.339 -3.639 + VAX HN3 H H 0.000 -4.762 5.698 -4.559 + VAX C34 C C 0.000 -6.110 5.817 -3.297 + VAX O35 O O 0.000 -6.526 5.733 -2.147 + VAX C33 C CH1 0.000 -7.176 6.599 -4.117 + VAX H33 H H 0.000 -6.782 6.883 -5.103 + VAX N32 N NH1 0.000 -7.534 7.806 -3.317 + VAX HN2 H H 0.000 -7.164 7.824 -2.377 + VAX C26 C C 0.000 -8.278 8.879 -3.662 + VAX O27 O O 0.000 -8.627 8.933 -4.840 + VAX C25 C CH1 0.000 -8.688 10.063 -2.776 + VAX H25 H H 0.000 -8.471 10.982 -3.338 + VAX C28 C CH2 0.000 -7.687 9.985 -1.633 + VAX H281 H H 0.000 -6.663 10.085 -1.999 + VAX H282 H H 0.000 -7.786 9.045 -1.086 + VAX C29 C C 0.000 -8.004 11.116 -0.734 + VAX N31 N NH2 0.000 -8.583 10.861 0.428 + VAX HN12 H H 0.000 -8.807 11.620 1.054 + VAX HN11 H H 0.000 -8.799 9.910 0.682 + VAX O30 O O 0.000 -7.719 12.255 -1.081 + VAX N24 N NH1 0.000 -10.103 10.109 -2.398 + VAX HN4 H H 0.000 -10.514 9.231 -2.113 + VAX C12 C C 0.000 -10.930 11.184 -2.384 + VAX O13 O O 0.000 -10.591 12.211 -2.998 + VAX C11 C CH1 0.000 -12.312 11.235 -1.630 + VAX H11 H H 0.000 -12.315 12.050 -0.893 + VAX N10 N NH1 0.000 -12.268 9.947 -0.959 + VAX HN0 H H 0.000 -11.920 9.232 -1.581 + VAX C4 C C 0.000 -12.550 9.439 0.226 + VAX O5 O O 0.000 -12.665 10.241 1.148 + VAX C3 C CH1 0.000 -12.755 7.980 0.596 + VAX H3 H H 0.000 -12.991 7.428 -0.324 + VAX N2 N NT2 1.000 -13.938 7.909 1.486 + VAX HN21 H H 0.000 -13.849 8.579 2.267 + VAX HN22 H H 0.000 -14.056 6.955 1.863 + VAX C1 C CH3 0.000 -15.134 8.269 0.649 + VAX H1_3 H H 0.000 -15.231 7.584 -0.156 + VAX H1_2 H H 0.000 -16.014 8.234 1.242 + VAX H1_1 H H 0.000 -15.019 9.249 0.257 + VAX C6 C CH2 0.000 -11.570 7.290 1.268 + VAX H6_1 H H 0.000 -11.464 7.728 2.263 + VAX H6_2 H H 0.000 -10.684 7.522 0.674 + VAX C7 C CH1 0.000 -11.720 5.793 1.388 + VAX H7 H H 0.000 -12.441 5.591 2.193 + VAX C9 C CH3 0.000 -10.339 5.450 1.906 + VAX H9_3 H H 0.000 -10.278 4.408 2.075 + VAX H9_2 H H 0.000 -9.615 5.737 1.189 + VAX H9_1 H H 0.000 -10.166 5.968 2.812 + VAX C8 C CH3 0.000 -12.240 5.170 0.143 + VAX H8_3 H H 0.000 -13.172 5.604 -0.097 + VAX H8_2 H H 0.000 -11.552 5.340 -0.640 + VAX H8_1 H H 0.000 -12.357 4.132 0.300 +loop_ +_chem_comp_tree.comp_id +_chem_comp_tree.atom_id +_chem_comp_tree.atom_back +_chem_comp_tree.atom_forward +_chem_comp_tree.connect_type + VAX O80 n/a C70 START + VAX C70 O80 C69 . + VAX O71 C70 . . + VAX C69 C70 N68 . + VAX H69 C69 . . + VAX C72 C69 C73 . + VAX C73 C72 C50 . + VAX C75 C73 O79 . + VAX C76 C75 C77 . + VAX H76 C76 . . + VAX C77 C76 O78 . + VAX C74 C77 H74 . + VAX H74 C74 . . + VAX O78 C77 HO8 . + VAX HO8 O78 . . + VAX O79 C75 HO7 . + VAX HO7 O79 . . + VAX C50 C73 C48 . + VAX C52 C50 O53 . + VAX C51 C52 C49 . + VAX H51 C51 . . + VAX C49 C51 H49 . + VAX H49 C49 . . + VAX O53 C52 HO3 . + VAX HO3 O53 . . + VAX C48 C50 C47 . + VAX H48 C48 . . + VAX C47 C48 . . + VAX N68 C69 C56 . + VAX HN8 N68 . . + VAX C56 N68 C55 . + VAX O57 C56 . . + VAX C55 C56 N54 . + VAX H55 C55 . . + VAX C58 C55 C60 . + VAX H58 C58 . . + VAX O59 C58 C81 . + VAX C81 O59 O82 . + VAX H81 C81 . . + VAX O82 C81 C83 . + VAX C83 O82 C84 . + VAX H83 C83 . . + VAX C85 C83 O86 . + VAX H85 C85 . . + VAX C87 C85 N88 . + VAX C90 C87 H901 . + VAX H902 C90 . . + VAX H901 C90 . . + VAX C89 C87 H891 . + VAX H893 C89 . . + VAX H892 C89 . . + VAX H891 C89 . . + VAX N88 C87 HN81 . + VAX HN83 N88 . . + VAX HN82 N88 . . + VAX HN81 N88 . . + VAX O86 C85 HO6 . + VAX HO6 O86 . . + VAX C84 C83 H841 . + VAX H843 C84 . . + VAX H842 C84 . . + VAX H841 C84 . . + VAX C60 C58 C61 . + VAX C61 C60 C63 . + VAX H61 C61 . . + VAX C63 C61 C65 . + VAX H63 C63 . . + VAX C65 C63 O66 . + VAX C64 C65 CL6 . + VAX C62 C64 H62 . + VAX H62 C62 . . + VAX CL6 C64 . . + VAX O66 C65 C39 . + VAX C39 O66 C41 . + VAX C37 C39 H37 . + VAX H37 C37 . . + VAX C41 C39 C40 . + VAX O42 C41 'C1'' . + VAX 'C1'' O42 'C2'' . + VAX 'H1'' 'C1'' . . + VAX 'C2'' 'C1'' 'O2'' . + VAX 'H2'' 'C2'' . . + VAX 'C3'' 'C2'' 'O3'' . + VAX 'H3'' 'C3'' . . + VAX 'C4'' 'C3'' 'O4'' . + VAX 'H4'' 'C4'' . . + VAX 'C5'' 'C4'' 'O5'' . + VAX 'H5'' 'C5'' . . + VAX 'C6'' 'C5'' 'O6'' . + VAX 'H6'1' 'C6'' . . + VAX 'H6'2' 'C6'' . . + VAX 'O6'' 'C6'' 'HO6'' . + VAX 'HO6'' 'O6'' . . + VAX 'O5'' 'C5'' . . + VAX 'O4'' 'C4'' 'HO4'' . + VAX 'HO4'' 'O4'' . . + VAX 'O3'' 'C3'' 'HO3'' . + VAX 'HO3'' 'O3'' . . + VAX 'O2'' 'C2'' C1" . + VAX C1" 'O2'' C2" . + VAX H1" C1" . . + VAX C2" C1" C3" . + VAX H2"1 C2" . . + VAX H2"2 C2" . . + VAX C3" C2" N3" . + VAX C3M C3" H3M1 . + VAX H3M3 C3M . . + VAX H3M2 C3M . . + VAX H3M1 C3M . . + VAX C4" C3" O4" . + VAX H4" C4" . . + VAX C5" C4" O5" . + VAX H5" C5" . . + VAX C5M C5" H5M1 . + VAX H5M3 C5M . . + VAX H5M2 C5M . . + VAX H5M1 C5M . . + VAX O5" C5" . . + VAX O4" C4" HO4" . + VAX HO4" O4" . . + VAX N3" C3" HN31 . + VAX HN33 N3" . . + VAX HN32 N3" . . + VAX HN31 N3" . . + VAX C40 C41 O22 . + VAX C38 C40 C36 . + VAX H38 C38 . . + VAX C36 C38 . . + VAX O22 C40 C21 . + VAX C21 O22 C19 . + VAX C20 C21 C18 . + VAX H20 C20 . . + VAX C18 C20 H18 . + VAX H18 C18 . . + VAX C19 C21 C17 . + VAX CL2 C19 . . + VAX C17 C19 C16 . + VAX H17 C17 . . + VAX C16 C17 C14 . + VAX C14 C16 O15 . + VAX H14 C14 . . + VAX O15 C14 HO5 . + VAX HO5 O15 . . + VAX N54 C55 C45 . + VAX HN5 N54 . . + VAX C45 N54 C44 . + VAX O46 C45 . . + VAX C44 C45 N43 . + VAX H44 C44 . . + VAX N43 C44 C34 . + VAX HN3 N43 . . + VAX C34 N43 C33 . + VAX O35 C34 . . + VAX C33 C34 N32 . + VAX H33 C33 . . + VAX N32 C33 C26 . + VAX HN2 N32 . . + VAX C26 N32 C25 . + VAX O27 C26 . . + VAX C25 C26 N24 . + VAX H25 C25 . . + VAX C28 C25 C29 . + VAX H281 C28 . . + VAX H282 C28 . . + VAX C29 C28 O30 . + VAX N31 C29 HN11 . + VAX HN12 N31 . . + VAX HN11 N31 . . + VAX O30 C29 . . + VAX N24 C25 C12 . + VAX HN4 N24 . . + VAX C12 N24 C11 . + VAX O13 C12 . . + VAX C11 C12 N10 . + VAX H11 C11 . . + VAX N10 C11 C4 . + VAX HN0 N10 . . + VAX C4 N10 C3 . + VAX O5 C4 . . + VAX C3 C4 C6 . + VAX H3 C3 . . + VAX N2 C3 C1 . + VAX HN21 N2 . . + VAX HN22 N2 . . + VAX C1 N2 H1_1 . + VAX H1_3 C1 . . + VAX H1_2 C1 . . + VAX H1_1 C1 . . + VAX C6 C3 C7 . + VAX H6_1 C6 . . + VAX H6_2 C6 . . + VAX C7 C6 C8 . + VAX H7 C7 . . + VAX C9 C7 H9_1 . + VAX H9_3 C9 . . + VAX H9_2 C9 . . + VAX H9_1 C9 . . + VAX C8 C7 H8_1 . + VAX H8_3 C8 . . + VAX H8_2 C8 . . + VAX H8_1 C8 . END + VAX C11 C14 . ADD + VAX C16 C18 . ADD + VAX C33 C36 . ADD + VAX C36 C37 . ADD + VAX C44 C47 . ADD + VAX C47 C49 . ADD + VAX C60 C62 . ADD + VAX C72 C74 . ADD + VAX C81 C90 . ADD + VAX 'C1'' 'O5'' . ADD + VAX C1" O5" . ADD +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.type +_chem_comp_bond.value_dist +_chem_comp_bond.value_dist_esd + VAX C1 N2 single 1.472 0.020 + VAX H1_1 C1 single 1.059 0.020 + VAX H1_2 C1 single 1.059 0.020 + VAX H1_3 C1 single 1.059 0.020 + VAX N2 C3 single 1.475 0.020 + VAX HN21 N2 single 1.033 0.020 + VAX HN22 N2 single 1.033 0.020 + VAX C6 C3 single 1.524 0.020 + VAX C3 C4 single 1.500 0.020 + VAX H3 C3 single 1.099 0.020 + VAX C7 C6 single 1.524 0.020 + VAX H6_1 C6 single 1.092 0.020 + VAX H6_2 C6 single 1.092 0.020 + VAX C8 C7 single 1.524 0.020 + VAX C9 C7 single 1.524 0.020 + VAX H7 C7 single 1.099 0.020 + VAX H8_1 C8 single 1.059 0.020 + VAX H8_2 C8 single 1.059 0.020 + VAX H8_3 C8 single 1.059 0.020 + VAX H9_1 C9 single 1.059 0.020 + VAX H9_2 C9 single 1.059 0.020 + VAX H9_3 C9 single 1.059 0.020 + VAX O5 C4 double 1.220 0.020 + VAX C4 N10 single 1.330 0.020 + VAX N10 C11 single 1.450 0.020 + VAX HN0 N10 single 1.010 0.020 + VAX C11 C14 single 1.524 0.020 + VAX C11 C12 single 1.500 0.020 + VAX H11 C11 single 1.099 0.020 + VAX O15 C14 single 1.432 0.020 + VAX C14 C16 single 1.480 0.020 + VAX H14 C14 single 1.099 0.020 + VAX HO5 O15 single 0.967 0.020 + VAX C16 C17 double 1.390 0.020 + VAX C16 C18 single 1.390 0.020 + VAX C17 C19 single 1.390 0.020 + VAX H17 C17 single 1.083 0.020 + VAX CL2 C19 single 1.795 0.020 + VAX C19 C21 double 1.487 0.020 + VAX C21 O22 single 1.370 0.020 + VAX C20 C21 single 1.390 0.020 + VAX O22 C40 single 1.370 0.020 + VAX C18 C20 double 1.390 0.020 + VAX H20 C20 single 1.083 0.020 + VAX H18 C18 single 1.083 0.020 + VAX O13 C12 double 1.220 0.020 + VAX C12 N24 single 1.330 0.020 + VAX N24 C25 single 1.450 0.020 + VAX HN4 N24 single 1.010 0.020 + VAX C28 C25 single 1.524 0.020 + VAX C25 C26 single 1.500 0.020 + VAX H25 C25 single 1.099 0.020 + VAX C29 C28 single 1.510 0.020 + VAX H281 C28 single 1.092 0.020 + VAX H282 C28 single 1.092 0.020 + VAX O30 C29 double 1.220 0.020 + VAX N31 C29 single 1.332 0.020 + VAX HN11 N31 single 1.010 0.020 + VAX HN12 N31 single 1.010 0.020 + VAX O27 C26 double 1.220 0.020 + VAX C26 N32 single 1.330 0.020 + VAX N32 C33 single 1.450 0.020 + VAX HN2 N32 single 1.010 0.020 + VAX C33 C36 single 1.480 0.020 + VAX C33 C34 single 1.500 0.020 + VAX H33 C33 single 1.099 0.020 + VAX C36 C38 double 1.390 0.020 + VAX C36 C37 single 1.390 0.020 + VAX C38 C40 single 1.390 0.020 + VAX H38 C38 single 1.083 0.020 + VAX C40 C41 double 1.487 0.020 + VAX O42 C41 single 1.370 0.020 + VAX C41 C39 single 1.487 0.020 + VAX 'C1'' O42 single 1.426 0.020 + VAX C37 C39 double 1.390 0.020 + VAX C39 O66 single 1.370 0.020 + VAX H37 C37 single 1.083 0.020 + VAX O35 C34 double 1.220 0.020 + VAX C34 N43 single 1.330 0.020 + VAX N43 C44 single 1.450 0.020 + VAX HN3 N43 single 1.010 0.020 + VAX C44 C47 single 1.480 0.020 + VAX C44 C45 single 1.500 0.020 + VAX H44 C44 single 1.099 0.020 + VAX C47 C48 double 1.390 0.020 + VAX C47 C49 single 1.390 0.020 + VAX C48 C50 single 1.390 0.020 + VAX H48 C48 single 1.083 0.020 + VAX C52 C50 double 1.487 0.020 + VAX C50 C73 single 1.487 0.020 + VAX O53 C52 single 1.362 0.020 + VAX C51 C52 single 1.390 0.020 + VAX HO3 O53 single 0.967 0.020 + VAX C49 C51 double 1.390 0.020 + VAX H51 C51 single 1.083 0.020 + VAX H49 C49 single 1.083 0.020 + VAX O46 C45 double 1.220 0.020 + VAX C45 N54 single 1.330 0.020 + VAX N54 C55 single 1.450 0.020 + VAX HN5 N54 single 1.010 0.020 + VAX C58 C55 single 1.524 0.020 + VAX C55 C56 single 1.500 0.020 + VAX H55 C55 single 1.099 0.020 + VAX O59 C58 single 1.426 0.020 + VAX C60 C58 single 1.480 0.020 + VAX H58 C58 single 1.099 0.020 + VAX C81 O59 single 1.426 0.020 + VAX C61 C60 double 1.390 0.020 + VAX C60 C62 single 1.390 0.020 + VAX C63 C61 single 1.390 0.020 + VAX H61 C61 single 1.083 0.020 + VAX C65 C63 double 1.390 0.020 + VAX H63 C63 single 1.083 0.020 + VAX O66 C65 single 1.370 0.020 + VAX C64 C65 single 1.487 0.020 + VAX CL6 C64 single 1.795 0.020 + VAX C62 C64 double 1.390 0.020 + VAX H62 C62 single 1.083 0.020 + VAX O57 C56 double 1.220 0.020 + VAX C56 N68 single 1.330 0.020 + VAX N68 C69 single 1.450 0.020 + VAX HN8 N68 single 1.010 0.020 + VAX C72 C69 single 1.480 0.020 + VAX C69 C70 single 1.500 0.020 + VAX H69 C69 single 1.099 0.020 + VAX C73 C72 double 1.487 0.020 + VAX C72 C74 single 1.390 0.020 + VAX C75 C73 single 1.487 0.020 + VAX O79 C75 single 1.362 0.020 + VAX C76 C75 double 1.390 0.020 + VAX HO7 O79 single 0.967 0.020 + VAX C77 C76 single 1.390 0.020 + VAX H76 C76 single 1.083 0.020 + VAX O78 C77 single 1.362 0.020 + VAX C74 C77 double 1.390 0.020 + VAX HO8 O78 single 0.967 0.020 + VAX H74 C74 single 1.083 0.020 + VAX O71 C70 deloc 1.250 0.020 + VAX C70 O80 deloc 1.250 0.020 + VAX O82 C81 single 1.426 0.020 + VAX C81 C90 single 1.524 0.020 + VAX H81 C81 single 1.099 0.020 + VAX C83 O82 single 1.426 0.020 + VAX C84 C83 single 1.524 0.020 + VAX C85 C83 single 1.524 0.020 + VAX H83 C83 single 1.099 0.020 + VAX H841 C84 single 1.059 0.020 + VAX H842 C84 single 1.059 0.020 + VAX H843 C84 single 1.059 0.020 + VAX O86 C85 single 1.432 0.020 + VAX C87 C85 single 1.524 0.020 + VAX H85 C85 single 1.099 0.020 + VAX HO6 O86 single 0.967 0.020 + VAX N88 C87 single 1.488 0.020 + VAX C89 C87 single 1.524 0.020 + VAX C90 C87 single 1.524 0.020 + VAX HN81 N88 single 1.033 0.020 + VAX HN82 N88 single 1.033 0.020 + VAX HN83 N88 single 1.033 0.020 + VAX H891 C89 single 1.059 0.020 + VAX H892 C89 single 1.059 0.020 + VAX H893 C89 single 1.059 0.020 + VAX H901 C90 single 1.092 0.020 + VAX H902 C90 single 1.092 0.020 + VAX 'C2'' 'C1'' single 1.524 0.020 + VAX 'C1'' 'O5'' single 1.426 0.020 + VAX 'H1'' 'C1'' single 1.099 0.020 + VAX 'O2'' 'C2'' single 1.426 0.020 + VAX 'C3'' 'C2'' single 1.524 0.020 + VAX 'H2'' 'C2'' single 1.099 0.020 + VAX C1" 'O2'' single 1.426 0.020 + VAX 'O3'' 'C3'' single 1.432 0.020 + VAX 'C4'' 'C3'' single 1.524 0.020 + VAX 'H3'' 'C3'' single 1.099 0.020 + VAX 'HO3'' 'O3'' single 0.967 0.020 + VAX 'O4'' 'C4'' single 1.432 0.020 + VAX 'C5'' 'C4'' single 1.524 0.020 + VAX 'H4'' 'C4'' single 1.099 0.020 + VAX 'HO4'' 'O4'' single 0.967 0.020 + VAX 'O5'' 'C5'' single 1.426 0.020 + VAX 'C6'' 'C5'' single 1.524 0.020 + VAX 'H5'' 'C5'' single 1.099 0.020 + VAX 'O6'' 'C6'' single 1.432 0.020 + VAX 'H6'1' 'C6'' single 1.092 0.020 + VAX 'H6'2' 'C6'' single 1.092 0.020 + VAX 'HO6'' 'O6'' single 0.967 0.020 + VAX C2" C1" single 1.524 0.020 + VAX C1" O5" single 1.426 0.020 + VAX H1" C1" single 1.099 0.020 + VAX C3" C2" single 1.524 0.020 + VAX H2"1 C2" single 1.092 0.020 + VAX H2"2 C2" single 1.092 0.020 + VAX N3" C3" single 1.488 0.020 + VAX C3M C3" single 1.524 0.020 + VAX C4" C3" single 1.524 0.020 + VAX HN31 N3" single 1.033 0.020 + VAX HN32 N3" single 1.033 0.020 + VAX HN33 N3" single 1.033 0.020 + VAX H3M1 C3M single 1.059 0.020 + VAX H3M2 C3M single 1.059 0.020 + VAX H3M3 C3M single 1.059 0.020 + VAX O4" C4" single 1.432 0.020 + VAX C5" C4" single 1.524 0.020 + VAX H4" C4" single 1.099 0.020 + VAX HO4" O4" single 0.967 0.020 + VAX O5" C5" single 1.426 0.020 + VAX C5M C5" single 1.524 0.020 + VAX H5" C5" single 1.099 0.020 + VAX H5M1 C5M single 1.059 0.020 + VAX H5M2 C5M single 1.059 0.020 + VAX H5M3 C5M single 1.059 0.020 +loop_ +_chem_comp_angle.comp_id +_chem_comp_angle.atom_id_1 +_chem_comp_angle.atom_id_2 +_chem_comp_angle.atom_id_3 +_chem_comp_angle.value_angle +_chem_comp_angle.value_angle_esd + VAX O80 C70 O71 123.000 3.000 + VAX O80 C70 C69 118.500 3.000 + VAX O71 C70 C69 118.500 3.000 + VAX C70 C69 H69 108.810 3.000 + VAX C70 C69 C72 109.500 3.000 + VAX C70 C69 N68 111.600 3.000 + VAX H69 C69 C72 109.470 3.000 + VAX H69 C69 N68 108.550 3.000 + VAX C72 C69 N68 109.470 3.000 + VAX C69 C72 C73 120.000 3.000 + VAX C69 C72 C74 120.000 3.000 + VAX C73 C72 C74 120.000 3.000 + VAX C72 C73 C75 120.000 3.000 + VAX C72 C73 C50 120.000 3.000 + VAX C75 C73 C50 120.000 3.000 + VAX C73 C75 C76 120.000 3.000 + VAX C73 C75 O79 120.000 3.000 + VAX C76 C75 O79 120.000 3.000 + VAX C75 C76 H76 120.000 3.000 + VAX C75 C76 C77 120.000 3.000 + VAX H76 C76 C77 120.000 3.000 + VAX C76 C77 C74 120.000 3.000 + VAX C76 C77 O78 120.000 3.000 + VAX C74 C77 O78 120.000 3.000 + VAX C77 C74 H74 120.000 3.000 + VAX C77 C74 C72 120.000 3.000 + VAX H74 C74 C72 120.000 3.000 + VAX C77 O78 HO8 109.470 3.000 + VAX C75 O79 HO7 109.470 3.000 + VAX C73 C50 C52 120.000 3.000 + VAX C73 C50 C48 120.000 3.000 + VAX C52 C50 C48 120.000 3.000 + VAX C50 C52 C51 120.000 3.000 + VAX C50 C52 O53 120.000 3.000 + VAX C51 C52 O53 120.000 3.000 + VAX C52 C51 H51 120.000 3.000 + VAX C52 C51 C49 120.000 3.000 + VAX H51 C51 C49 120.000 3.000 + VAX C51 C49 H49 120.000 3.000 + VAX C51 C49 C47 120.000 3.000 + VAX H49 C49 C47 120.000 3.000 + VAX C52 O53 HO3 109.470 3.000 + VAX C50 C48 H48 120.000 3.000 + VAX C50 C48 C47 120.000 3.000 + VAX H48 C48 C47 120.000 3.000 + VAX C48 C47 C44 120.000 3.000 + VAX C48 C47 C49 120.000 3.000 + VAX C44 C47 C49 120.000 3.000 + VAX C69 N68 HN8 118.500 3.000 + VAX C69 N68 C56 121.500 3.000 + VAX HN8 N68 C56 120.000 3.000 + VAX N68 C56 O57 123.000 3.000 + VAX N68 C56 C55 116.500 3.000 + VAX O57 C56 C55 120.500 3.000 + VAX C56 C55 H55 108.810 3.000 + VAX C56 C55 C58 109.470 3.000 + VAX C56 C55 N54 111.600 3.000 + VAX H55 C55 C58 108.340 3.000 + VAX H55 C55 N54 108.550 3.000 + VAX C58 C55 N54 110.000 3.000 + VAX C55 C58 H58 108.340 3.000 + VAX C55 C58 O59 109.470 3.000 + VAX C55 C58 C60 109.470 3.000 + VAX H58 C58 O59 109.470 3.000 + VAX H58 C58 C60 109.470 3.000 + VAX O59 C58 C60 109.470 3.000 + VAX C58 O59 C81 111.800 3.000 + VAX O59 C81 H81 109.470 3.000 + VAX O59 C81 O82 109.470 3.000 + VAX O59 C81 C90 109.470 3.000 + VAX H81 C81 O82 109.470 3.000 + VAX H81 C81 C90 108.340 3.000 + VAX O82 C81 C90 109.470 3.000 + VAX C81 O82 C83 111.800 3.000 + VAX O82 C83 H83 109.470 3.000 + VAX O82 C83 C85 109.470 3.000 + VAX O82 C83 C84 109.470 3.000 + VAX H83 C83 C85 108.340 3.000 + VAX H83 C83 C84 108.340 3.000 + VAX C85 C83 C84 111.000 3.000 + VAX C83 C85 H85 108.340 3.000 + VAX C83 C85 C87 111.000 3.000 + VAX C83 C85 O86 109.470 3.000 + VAX H85 C85 C87 108.340 3.000 + VAX H85 C85 O86 109.470 3.000 + VAX C87 C85 O86 109.470 3.000 + VAX C85 C87 C90 111.000 3.000 + VAX C85 C87 C89 111.000 3.000 + VAX C85 C87 N88 110.000 3.000 + VAX C90 C87 C89 111.000 3.000 + VAX C90 C87 N88 110.000 3.000 + VAX C89 C87 N88 110.000 3.000 + VAX C87 C90 H902 109.470 3.000 + VAX C87 C90 H901 109.470 3.000 + VAX C87 C90 C81 111.000 3.000 + VAX H902 C90 H901 107.900 3.000 + VAX H902 C90 C81 109.470 3.000 + VAX H901 C90 C81 109.470 3.000 + VAX C87 C89 H893 109.470 3.000 + VAX C87 C89 H892 109.470 3.000 + VAX C87 C89 H891 109.470 3.000 + VAX H893 C89 H892 109.470 3.000 + VAX H893 C89 H891 109.470 3.000 + VAX H892 C89 H891 109.470 3.000 + VAX C87 N88 HN83 109.470 3.000 + VAX C87 N88 HN82 109.470 3.000 + VAX C87 N88 HN81 109.470 3.000 + VAX HN83 N88 HN82 109.470 3.000 + VAX HN83 N88 HN81 109.470 3.000 + VAX HN82 N88 HN81 109.470 3.000 + VAX C85 O86 HO6 109.470 3.000 + VAX C83 C84 H843 109.470 3.000 + VAX C83 C84 H842 109.470 3.000 + VAX C83 C84 H841 109.470 3.000 + VAX H843 C84 H842 109.470 3.000 + VAX H843 C84 H841 109.470 3.000 + VAX H842 C84 H841 109.470 3.000 + VAX C58 C60 C61 120.000 3.000 + VAX C58 C60 C62 120.000 3.000 + VAX C61 C60 C62 120.000 3.000 + VAX C60 C61 H61 120.000 3.000 + VAX C60 C61 C63 120.000 3.000 + VAX H61 C61 C63 120.000 3.000 + VAX C61 C63 H63 120.000 3.000 + VAX C61 C63 C65 120.000 3.000 + VAX H63 C63 C65 120.000 3.000 + VAX C63 C65 C64 120.000 3.000 + VAX C63 C65 O66 120.000 3.000 + VAX C64 C65 O66 120.000 3.000 + VAX C65 C64 C62 120.000 3.000 + VAX C65 C64 CL6 120.000 3.000 + VAX C62 C64 CL6 120.000 3.000 + VAX C64 C62 H62 120.000 3.000 + VAX C64 C62 C60 120.000 3.000 + VAX H62 C62 C60 120.000 3.000 + VAX C65 O66 C39 120.000 3.000 + VAX O66 C39 C37 120.000 3.000 + VAX O66 C39 C41 120.000 3.000 + VAX C37 C39 C41 120.000 3.000 + VAX C39 C37 H37 120.000 3.000 + VAX C39 C37 C36 120.000 3.000 + VAX H37 C37 C36 120.000 3.000 + VAX C39 C41 O42 120.000 3.000 + VAX C39 C41 C40 120.000 3.000 + VAX O42 C41 C40 120.000 3.000 + VAX C41 O42 'C1'' 120.000 3.000 + VAX O42 'C1'' 'H1'' 109.470 3.000 + VAX O42 'C1'' 'C2'' 109.470 3.000 + VAX O42 'C1'' 'O5'' 109.470 3.000 + VAX 'H1'' 'C1'' 'C2'' 108.340 3.000 + VAX 'H1'' 'C1'' 'O5'' 109.470 3.000 + VAX 'C2'' 'C1'' 'O5'' 109.470 3.000 + VAX 'C1'' 'C2'' 'H2'' 108.340 3.000 + VAX 'C1'' 'C2'' 'C3'' 111.000 3.000 + VAX 'C1'' 'C2'' 'O2'' 109.470 3.000 + VAX 'H2'' 'C2'' 'C3'' 108.340 3.000 + VAX 'H2'' 'C2'' 'O2'' 109.470 3.000 + VAX 'C3'' 'C2'' 'O2'' 109.470 3.000 + VAX 'C2'' 'C3'' 'H3'' 108.340 3.000 + VAX 'C2'' 'C3'' 'C4'' 111.000 3.000 + VAX 'C2'' 'C3'' 'O3'' 109.470 3.000 + VAX 'H3'' 'C3'' 'C4'' 108.340 3.000 + VAX 'H3'' 'C3'' 'O3'' 109.470 3.000 + VAX 'C4'' 'C3'' 'O3'' 109.470 3.000 + VAX 'C3'' 'C4'' 'H4'' 108.340 3.000 + VAX 'C3'' 'C4'' 'C5'' 111.000 3.000 + VAX 'C3'' 'C4'' 'O4'' 109.470 3.000 + VAX 'H4'' 'C4'' 'C5'' 108.340 3.000 + VAX 'H4'' 'C4'' 'O4'' 109.470 3.000 + VAX 'C5'' 'C4'' 'O4'' 109.470 3.000 + VAX 'C4'' 'C5'' 'H5'' 108.340 3.000 + VAX 'C4'' 'C5'' 'C6'' 111.000 3.000 + VAX 'C4'' 'C5'' 'O5'' 109.470 3.000 + VAX 'H5'' 'C5'' 'C6'' 108.340 3.000 + VAX 'H5'' 'C5'' 'O5'' 109.470 3.000 + VAX 'C6'' 'C5'' 'O5'' 109.470 3.000 + VAX 'C5'' 'C6'' 'H6'1' 109.470 3.000 + VAX 'C5'' 'C6'' 'H6'2' 109.470 3.000 + VAX 'C5'' 'C6'' 'O6'' 109.470 3.000 + VAX 'H6'1' 'C6'' 'H6'2' 107.900 3.000 + VAX 'H6'1' 'C6'' 'O6'' 109.470 3.000 + VAX 'H6'2' 'C6'' 'O6'' 109.470 3.000 + VAX 'C6'' 'O6'' 'HO6'' 109.470 3.000 + VAX 'C5'' 'O5'' 'C1'' 111.800 3.000 + VAX 'C4'' 'O4'' 'HO4'' 109.470 3.000 + VAX 'C3'' 'O3'' 'HO3'' 109.470 3.000 + VAX 'C2'' 'O2'' C1" 111.800 3.000 + VAX 'O2'' C1" H1" 109.470 3.000 + VAX 'O2'' C1" C2" 109.470 3.000 + VAX 'O2'' C1" O5" 109.470 3.000 + VAX H1" C1" C2" 108.340 3.000 + VAX H1" C1" O5" 109.470 3.000 + VAX C2" C1" O5" 109.470 3.000 + VAX C1" C2" H2"1 109.470 3.000 + VAX C1" C2" H2"2 109.470 3.000 + VAX C1" C2" C3" 111.000 3.000 + VAX H2"1 C2" H2"2 107.900 3.000 + VAX H2"1 C2" C3" 109.470 3.000 + VAX H2"2 C2" C3" 109.470 3.000 + VAX C2" C3" C4" 111.000 3.000 + VAX C2" C3" C3M 111.000 3.000 + VAX C2" C3" N3" 110.000 3.000 + VAX C4" C3" C3M 111.000 3.000 + VAX C4" C3" N3" 110.000 3.000 + VAX C3M C3" N3" 110.000 3.000 + VAX C3" C4" H4" 108.340 3.000 + VAX C3" C4" C5" 111.000 3.000 + VAX C3" C4" O4" 109.470 3.000 + VAX H4" C4" C5" 108.340 3.000 + VAX H4" C4" O4" 109.470 3.000 + VAX C5" C4" O4" 109.470 3.000 + VAX C4" C5" H5" 108.340 3.000 + VAX C4" C5" C5M 111.000 3.000 + VAX C4" C5" O5" 109.470 3.000 + VAX H5" C5" C5M 108.340 3.000 + VAX H5" C5" O5" 109.470 3.000 + VAX C5M C5" O5" 109.470 3.000 + VAX C5" C5M H5M3 109.470 3.000 + VAX C5" C5M H5M2 109.470 3.000 + VAX C5" C5M H5M1 109.470 3.000 + VAX H5M3 C5M H5M2 109.470 3.000 + VAX H5M3 C5M H5M1 109.470 3.000 + VAX H5M2 C5M H5M1 109.470 3.000 + VAX C5" O5" C1" 111.800 3.000 + VAX C4" O4" HO4" 109.470 3.000 + VAX C3" C3M H3M3 109.470 3.000 + VAX C3" C3M H3M2 109.470 3.000 + VAX C3" C3M H3M1 109.470 3.000 + VAX H3M3 C3M H3M2 109.470 3.000 + VAX H3M3 C3M H3M1 109.470 3.000 + VAX H3M2 C3M H3M1 109.470 3.000 + VAX C3" N3" HN33 109.470 3.000 + VAX C3" N3" HN32 109.470 3.000 + VAX C3" N3" HN31 109.470 3.000 + VAX HN33 N3" HN32 109.470 3.000 + VAX HN33 N3" HN31 109.470 3.000 + VAX HN32 N3" HN31 109.470 3.000 + VAX C41 C40 C38 120.000 3.000 + VAX C41 C40 O22 120.000 3.000 + VAX C38 C40 O22 120.000 3.000 + VAX C40 C38 H38 120.000 3.000 + VAX C40 C38 C36 120.000 3.000 + VAX H38 C38 C36 120.000 3.000 + VAX C38 C36 C33 120.000 3.000 + VAX C38 C36 C37 120.000 3.000 + VAX C33 C36 C37 120.000 3.000 + VAX C40 O22 C21 120.000 3.000 + VAX O22 C21 C20 120.000 3.000 + VAX O22 C21 C19 120.000 3.000 + VAX C20 C21 C19 120.000 3.000 + VAX C21 C20 H20 120.000 3.000 + VAX C21 C20 C18 120.000 3.000 + VAX H20 C20 C18 120.000 3.000 + VAX C20 C18 H18 120.000 3.000 + VAX C20 C18 C16 120.000 3.000 + VAX H18 C18 C16 120.000 3.000 + VAX C21 C19 CL2 120.000 3.000 + VAX C21 C19 C17 120.000 3.000 + VAX CL2 C19 C17 120.000 3.000 + VAX C19 C17 H17 120.000 3.000 + VAX C19 C17 C16 120.000 3.000 + VAX H17 C17 C16 120.000 3.000 + VAX C17 C16 C14 120.000 3.000 + VAX C17 C16 C18 120.000 3.000 + VAX C14 C16 C18 120.000 3.000 + VAX C16 C14 H14 109.470 3.000 + VAX C16 C14 O15 109.470 3.000 + VAX C16 C14 C11 109.470 3.000 + VAX H14 C14 O15 109.470 3.000 + VAX H14 C14 C11 108.340 3.000 + VAX O15 C14 C11 109.470 3.000 + VAX C14 O15 HO5 109.470 3.000 + VAX C55 N54 HN5 118.500 3.000 + VAX C55 N54 C45 121.500 3.000 + VAX HN5 N54 C45 120.000 3.000 + VAX N54 C45 O46 123.000 3.000 + VAX N54 C45 C44 116.500 3.000 + VAX O46 C45 C44 120.500 3.000 + VAX C45 C44 H44 108.810 3.000 + VAX C45 C44 N43 111.600 3.000 + VAX C45 C44 C47 109.500 3.000 + VAX H44 C44 N43 108.550 3.000 + VAX H44 C44 C47 109.470 3.000 + VAX N43 C44 C47 109.470 3.000 + VAX C44 N43 HN3 118.500 3.000 + VAX C44 N43 C34 121.500 3.000 + VAX HN3 N43 C34 120.000 3.000 + VAX N43 C34 O35 123.000 3.000 + VAX N43 C34 C33 116.500 3.000 + VAX O35 C34 C33 120.500 3.000 + VAX C34 C33 H33 108.810 3.000 + VAX C34 C33 N32 111.600 3.000 + VAX C34 C33 C36 109.500 3.000 + VAX H33 C33 N32 108.550 3.000 + VAX H33 C33 C36 109.470 3.000 + VAX N32 C33 C36 109.470 3.000 + VAX C33 N32 HN2 118.500 3.000 + VAX C33 N32 C26 121.500 3.000 + VAX HN2 N32 C26 120.000 3.000 + VAX N32 C26 O27 123.000 3.000 + VAX N32 C26 C25 116.500 3.000 + VAX O27 C26 C25 120.500 3.000 + VAX C26 C25 H25 108.810 3.000 + VAX C26 C25 C28 109.470 3.000 + VAX C26 C25 N24 111.600 3.000 + VAX H25 C25 C28 108.340 3.000 + VAX H25 C25 N24 108.550 3.000 + VAX C28 C25 N24 110.000 3.000 + VAX C25 C28 H281 109.470 3.000 + VAX C25 C28 H282 109.470 3.000 + VAX C25 C28 C29 109.470 3.000 + VAX H281 C28 H282 107.900 3.000 + VAX H281 C28 C29 109.470 3.000 + VAX H282 C28 C29 109.470 3.000 + VAX C28 C29 N31 116.500 3.000 + VAX C28 C29 O30 120.500 3.000 + VAX N31 C29 O30 123.000 3.000 + VAX C29 N31 HN12 120.000 3.000 + VAX C29 N31 HN11 120.000 3.000 + VAX HN12 N31 HN11 120.000 3.000 + VAX C25 N24 HN4 118.500 3.000 + VAX C25 N24 C12 121.500 3.000 + VAX HN4 N24 C12 120.000 3.000 + VAX N24 C12 O13 123.000 3.000 + VAX N24 C12 C11 116.500 3.000 + VAX O13 C12 C11 120.500 3.000 + VAX C12 C11 H11 108.810 3.000 + VAX C12 C11 N10 111.600 3.000 + VAX C12 C11 C14 109.470 3.000 + VAX H11 C11 N10 108.550 3.000 + VAX H11 C11 C14 108.340 3.000 + VAX N10 C11 C14 110.000 3.000 + VAX C11 N10 HN0 118.500 3.000 + VAX C11 N10 C4 121.500 3.000 + VAX HN0 N10 C4 120.000 3.000 + VAX N10 C4 O5 123.000 3.000 + VAX N10 C4 C3 116.500 3.000 + VAX O5 C4 C3 120.500 3.000 + VAX C4 C3 H3 108.810 3.000 + VAX C4 C3 N2 109.500 3.000 + VAX C4 C3 C6 109.470 3.000 + VAX H3 C3 N2 109.500 3.000 + VAX H3 C3 C6 108.340 3.000 + VAX N2 C3 C6 109.500 3.000 + VAX C3 N2 HN21 109.500 3.000 + VAX C3 N2 HN22 109.500 3.000 + VAX C3 N2 C1 109.500 3.000 + VAX HN21 N2 HN22 109.500 3.000 + VAX HN21 N2 C1 109.500 3.000 + VAX HN22 N2 C1 109.500 3.000 + VAX N2 C1 H1_3 109.500 3.000 + VAX N2 C1 H1_2 109.500 3.000 + VAX N2 C1 H1_1 109.500 3.000 + VAX H1_3 C1 H1_2 109.470 3.000 + VAX H1_3 C1 H1_1 109.470 3.000 + VAX H1_2 C1 H1_1 109.470 3.000 + VAX C3 C6 H6_1 109.470 3.000 + VAX C3 C6 H6_2 109.470 3.000 + VAX C3 C6 C7 111.000 3.000 + VAX H6_1 C6 H6_2 107.900 3.000 + VAX H6_1 C6 C7 109.470 3.000 + VAX H6_2 C6 C7 109.470 3.000 + VAX C6 C7 H7 108.340 3.000 + VAX C6 C7 C9 111.000 3.000 + VAX C6 C7 C8 111.000 3.000 + VAX H7 C7 C9 108.340 3.000 + VAX H7 C7 C8 108.340 3.000 + VAX C9 C7 C8 111.000 3.000 + VAX C7 C9 H9_3 109.470 3.000 + VAX C7 C9 H9_2 109.470 3.000 + VAX C7 C9 H9_1 109.470 3.000 + VAX H9_3 C9 H9_2 109.470 3.000 + VAX H9_3 C9 H9_1 109.470 3.000 + VAX H9_2 C9 H9_1 109.470 3.000 + VAX C7 C8 H8_3 109.470 3.000 + VAX C7 C8 H8_2 109.470 3.000 + VAX C7 C8 H8_1 109.470 3.000 + VAX H8_3 C8 H8_2 109.470 3.000 + VAX H8_3 C8 H8_1 109.470 3.000 + VAX H8_2 C8 H8_1 109.470 3.000 +loop_ +_chem_comp_tor.comp_id +_chem_comp_tor.id +_chem_comp_tor.atom_id_1 +_chem_comp_tor.atom_id_2 +_chem_comp_tor.atom_id_3 +_chem_comp_tor.atom_id_4 +_chem_comp_tor.value_angle +_chem_comp_tor.value_angle_esd +_chem_comp_tor.period + VAX var_1 O80 C70 C69 N68 -45.103 20.000 3 + VAX var_2 C70 C69 C72 C73 -177.980 20.000 1 + VAX CONST_1 C69 C72 C74 C77 180.000 0.000 0 + VAX CONST_2 C69 C72 C73 C50 0.000 0.000 0 + VAX CONST_3 C72 C73 C75 O79 180.000 0.000 0 + VAX CONST_4 C73 C75 C76 C77 0.000 0.000 0 + VAX CONST_5 C75 C76 C77 O78 180.000 0.000 0 + VAX CONST_6 C76 C77 C74 C72 0.000 0.000 0 + VAX var_3 C76 C77 O78 HO8 179.937 20.000 1 + VAX var_4 C73 C75 O79 HO7 179.774 20.000 1 + VAX CONST_7 C72 C73 C50 C48 0.000 0.000 0 + VAX CONST_8 C73 C50 C52 O53 0.000 0.000 0 + VAX CONST_9 C50 C52 C51 C49 0.000 0.000 0 + VAX CONST_10 C52 C51 C49 C47 0.000 0.000 0 + VAX var_5 C50 C52 O53 HO3 -0.048 20.000 1 + VAX CONST_11 C73 C50 C48 C47 180.000 0.000 0 + VAX CONST_12 C50 C48 C47 C44 180.000 0.000 0 + VAX CONST_13 C48 C47 C49 C51 0.000 0.000 0 + VAX var_6 C70 C69 N68 C56 -84.093 20.000 3 + VAX CONST_14 C69 N68 C56 C55 180.000 0.000 0 + VAX var_7 N68 C56 C55 N54 129.992 20.000 3 + VAX var_8 C56 C55 C58 C60 163.056 20.000 3 + VAX var_9 C55 C58 O59 C81 168.626 20.000 1 + VAX var_10 C58 O59 C81 O82 -50.583 20.000 1 + VAX var_11 O59 C81 C90 C87 60.000 20.000 3 + VAX var_12 O59 C81 O82 C83 -60.000 20.000 1 + VAX var_13 C81 O82 C83 C84 180.000 20.000 1 + VAX var_14 O82 C83 C85 O86 180.000 20.000 3 + VAX var_15 C83 C85 C87 N88 180.000 20.000 1 + VAX var_16 C85 C87 C90 C81 60.000 20.000 1 + VAX var_17 C85 C87 C89 H891 -67.095 20.000 1 + VAX var_18 C85 C87 N88 HN81 -179.699 20.000 1 + VAX var_19 C83 C85 O86 HO6 144.316 20.000 1 + VAX var_20 O82 C83 C84 H841 -60.174 20.000 3 + VAX var_21 C55 C58 C60 C61 109.130 20.000 1 + VAX CONST_15 C58 C60 C62 C64 180.000 0.000 0 + VAX CONST_16 C58 C60 C61 C63 180.000 0.000 0 + VAX CONST_17 C60 C61 C63 C65 0.000 0.000 0 + VAX CONST_18 C61 C63 C65 O66 180.000 0.000 0 + VAX CONST_19 C63 C65 C64 CL6 180.000 0.000 0 + VAX CONST_20 C65 C64 C62 C60 0.000 0.000 0 + VAX var_22 C63 C65 O66 C39 -109.745 20.000 1 + VAX var_23 C65 O66 C39 C41 -174.971 20.000 1 + VAX CONST_21 O66 C39 C37 C36 180.000 0.000 0 + VAX CONST_22 O66 C39 C41 C40 180.000 0.000 0 + VAX var_24 C39 C41 O42 'C1'' 113.211 20.000 1 + VAX var_25 C41 O42 'C1'' 'C2'' 170.854 20.000 1 + VAX var_26 O42 'C1'' 'O5'' 'C5'' 180.000 20.000 1 + VAX var_27 O42 'C1'' 'C2'' 'O2'' -60.000 20.000 3 + VAX var_28 'C1'' 'C2'' 'C3'' 'O3'' 180.000 20.000 3 + VAX var_29 'C2'' 'C3'' 'C4'' 'O4'' 180.000 20.000 3 + VAX var_30 'C3'' 'C4'' 'C5'' 'O5'' -60.000 20.000 3 + VAX var_31 'C4'' 'C5'' 'C6'' 'O6'' 56.771 20.000 3 + VAX var_32 'C5'' 'C6'' 'O6'' 'HO6'' 179.405 20.000 1 + VAX var_33 'C4'' 'C5'' 'O5'' 'C1'' 60.000 20.000 1 + VAX var_34 'C3'' 'C4'' 'O4'' 'HO4'' 92.389 20.000 1 + VAX var_35 'C2'' 'C3'' 'O3'' 'HO3'' -144.901 20.000 1 + VAX var_36 'C1'' 'C2'' 'O2'' C1" 126.912 20.000 1 + VAX var_37 'C2'' 'O2'' C1" C2" 136.210 20.000 1 + VAX var_38 'O2'' C1" O5" C5" -60.000 20.000 1 + VAX var_39 'O2'' C1" C2" C3" 60.000 20.000 3 + VAX var_40 C1" C2" C3" N3" 180.000 20.000 1 + VAX var_41 C2" C3" C4" O4" 180.000 20.000 1 + VAX var_42 C3" C4" C5" O5" 60.000 20.000 3 + VAX var_43 C4" C5" C5M H5M1 63.972 20.000 3 + VAX var_44 C4" C5" O5" C1" -60.000 20.000 1 + VAX var_45 C3" C4" O4" HO4" -93.886 20.000 1 + VAX var_46 C2" C3" C3M H3M1 -54.844 20.000 1 + VAX var_47 C2" C3" N3" HN31 60.867 20.000 1 + VAX CONST_23 C39 C41 C40 O22 180.000 0.000 0 + VAX CONST_24 C41 C40 C38 C36 0.000 0.000 0 + VAX CONST_25 C40 C38 C36 C33 180.000 0.000 0 + VAX CONST_26 C38 C36 C37 C39 0.000 0.000 0 + VAX var_48 C41 C40 O22 C21 155.294 20.000 1 + VAX var_49 C40 O22 C21 C19 109.409 20.000 1 + VAX CONST_27 O22 C21 C20 C18 180.000 0.000 0 + VAX CONST_28 C21 C20 C18 C16 0.000 0.000 0 + VAX CONST_29 O22 C21 C19 C17 180.000 0.000 0 + VAX CONST_30 C21 C19 C17 C16 0.000 0.000 0 + VAX CONST_31 C19 C17 C16 C14 180.000 0.000 0 + VAX CONST_32 C17 C16 C18 C20 0.000 0.000 0 + VAX var_50 C17 C16 C14 O15 121.057 20.000 1 + VAX var_51 C16 C14 O15 HO5 53.333 20.000 1 + VAX var_52 C56 C55 N54 C45 -99.465 20.000 3 + VAX CONST_33 C55 N54 C45 C44 0.000 0.000 0 + VAX var_53 N54 C45 C44 N43 -141.068 20.000 3 + VAX var_54 C45 C44 C47 C48 -109.337 20.000 1 + VAX var_55 C45 C44 N43 C34 174.621 20.000 3 + VAX CONST_34 C44 N43 C34 C33 180.000 0.000 0 + VAX var_56 N43 C34 C33 N32 -149.473 20.000 3 + VAX var_57 C34 C33 C36 C38 156.049 20.000 1 + VAX var_58 C34 C33 N32 C26 148.047 20.000 3 + VAX CONST_35 C33 N32 C26 C25 180.000 0.000 0 + VAX var_59 N32 C26 C25 N24 -74.529 20.000 3 + VAX var_60 C26 C25 C28 C29 -178.392 20.000 3 + VAX var_61 C25 C28 C29 O30 -68.650 20.000 3 + VAX CONST_36 C28 C29 N31 HN11 0.000 0.000 0 + VAX var_62 C26 C25 N24 C12 -138.881 20.000 3 + VAX CONST_37 C25 N24 C12 C11 180.000 0.000 0 + VAX var_63 N24 C12 C11 N10 27.816 20.000 3 + VAX var_64 C12 C11 C14 C16 60.621 20.000 3 + VAX var_65 C12 C11 N10 C4 118.204 20.000 3 + VAX CONST_38 C11 N10 C4 C3 180.000 0.000 0 + VAX var_66 N10 C4 C3 C6 109.065 20.000 3 + VAX var_67 C4 C3 N2 C1 59.283 20.000 1 + VAX var_68 C3 N2 C1 H1_1 -59.955 20.000 1 + VAX var_69 C4 C3 C6 C7 -176.194 20.000 3 + VAX var_70 C3 C6 C7 C8 60.324 20.000 3 + VAX var_71 C6 C7 C9 H9_1 58.488 20.000 3 + VAX var_72 C6 C7 C8 H8_1 -177.937 20.000 3 +loop_ +_chem_comp_chir.comp_id +_chem_comp_chir.id +_chem_comp_chir.atom_id_centre +_chem_comp_chir.atom_id_1 +_chem_comp_chir.atom_id_2 +_chem_comp_chir.atom_id_3 +_chem_comp_chir.volume_sign + VAX chir_01 C3 N2 C6 C4 positiv + VAX chir_02 C7 C6 C8 C9 negativ + VAX chir_03 C11 N10 C14 C12 positiv + VAX chir_04 C14 C11 O15 C16 positiv + VAX chir_05 C25 N24 C28 C26 negativ + VAX chir_06 C33 N32 C36 C34 positiv + VAX chir_07 C44 N43 C47 C45 positiv + VAX chir_08 C55 N54 C58 C56 negativ + VAX chir_09 C58 C55 O59 C60 positiv + VAX chir_10 C69 N68 C72 C70 negativ + VAX chir_11 C81 O59 O82 C90 positiv + VAX chir_12 C83 O82 C84 C85 negativ + VAX chir_13 C85 C83 O86 C87 positiv + VAX chir_14 C87 C85 N88 C89 positiv + VAX chir_15 'C1'' O42 'C2'' 'O5'' negativ + VAX chir_16 'C2'' 'C1'' 'O2'' 'C3'' positiv + VAX chir_17 'C3'' 'C2'' 'O3'' 'C4'' negativ + VAX chir_18 'C4'' 'C3'' 'O4'' 'C5'' positiv + VAX chir_19 'C5'' 'C4'' 'O5'' 'C6'' positiv + VAX chir_20 C1" 'O2'' C2" O5" negativ + VAX chir_21 C3" C2" N3" C3M negativ + VAX chir_22 C4" C3" O4" C5" negativ + VAX chir_23 C5" C4" O5" C5M negativ +loop_ +_chem_comp_plane_atom.comp_id +_chem_comp_plane_atom.plane_id +_chem_comp_plane_atom.atom_id +_chem_comp_plane_atom.dist_esd + VAX plan-1 C4 0.020 + VAX plan-1 C3 0.020 + VAX plan-1 O5 0.020 + VAX plan-1 N10 0.020 + VAX plan-1 HN0 0.020 + VAX plan-2 N10 0.020 + VAX plan-2 C4 0.020 + VAX plan-2 C11 0.020 + VAX plan-2 HN0 0.020 + VAX plan-3 C16 0.020 + VAX plan-3 C14 0.020 + VAX plan-3 C17 0.020 + VAX plan-3 C18 0.020 + VAX plan-3 C19 0.020 + VAX plan-3 C21 0.020 + VAX plan-3 C20 0.020 + VAX plan-3 H17 0.020 + VAX plan-3 CL2 0.020 + VAX plan-3 O22 0.020 + VAX plan-3 H20 0.020 + VAX plan-3 H18 0.020 + VAX plan-4 C12 0.020 + VAX plan-4 C11 0.020 + VAX plan-4 O13 0.020 + VAX plan-4 N24 0.020 + VAX plan-4 HN4 0.020 + VAX plan-5 N24 0.020 + VAX plan-5 C12 0.020 + VAX plan-5 C25 0.020 + VAX plan-5 HN4 0.020 + VAX plan-6 C29 0.020 + VAX plan-6 C28 0.020 + VAX plan-6 O30 0.020 + VAX plan-6 N31 0.020 + VAX plan-6 HN12 0.020 + VAX plan-6 HN11 0.020 + VAX plan-7 N31 0.020 + VAX plan-7 C29 0.020 + VAX plan-7 HN11 0.020 + VAX plan-7 HN12 0.020 + VAX plan-8 C26 0.020 + VAX plan-8 C25 0.020 + VAX plan-8 O27 0.020 + VAX plan-8 N32 0.020 + VAX plan-8 HN2 0.020 + VAX plan-9 N32 0.020 + VAX plan-9 C26 0.020 + VAX plan-9 C33 0.020 + VAX plan-9 HN2 0.020 + VAX plan-10 C36 0.020 + VAX plan-10 C33 0.020 + VAX plan-10 C38 0.020 + VAX plan-10 C37 0.020 + VAX plan-10 C40 0.020 + VAX plan-10 C41 0.020 + VAX plan-10 C39 0.020 + VAX plan-10 H38 0.020 + VAX plan-10 O22 0.020 + VAX plan-10 O42 0.020 + VAX plan-10 O66 0.020 + VAX plan-10 H37 0.020 + VAX plan-11 C34 0.020 + VAX plan-11 C33 0.020 + VAX plan-11 O35 0.020 + VAX plan-11 N43 0.020 + VAX plan-11 HN3 0.020 + VAX plan-12 N43 0.020 + VAX plan-12 C34 0.020 + VAX plan-12 C44 0.020 + VAX plan-12 HN3 0.020 + VAX plan-13 C47 0.020 + VAX plan-13 C44 0.020 + VAX plan-13 C48 0.020 + VAX plan-13 C49 0.020 + VAX plan-13 C50 0.020 + VAX plan-13 C52 0.020 + VAX plan-13 C51 0.020 + VAX plan-13 H48 0.020 + VAX plan-13 C73 0.020 + VAX plan-13 O53 0.020 + VAX plan-13 H51 0.020 + VAX plan-13 H49 0.020 + VAX plan-14 C45 0.020 + VAX plan-14 C44 0.020 + VAX plan-14 O46 0.020 + VAX plan-14 N54 0.020 + VAX plan-14 HN5 0.020 + VAX plan-15 N54 0.020 + VAX plan-15 C45 0.020 + VAX plan-15 C55 0.020 + VAX plan-15 HN5 0.020 + VAX plan-16 C60 0.020 + VAX plan-16 C58 0.020 + VAX plan-16 C61 0.020 + VAX plan-16 C62 0.020 + VAX plan-16 C63 0.020 + VAX plan-16 C65 0.020 + VAX plan-16 C64 0.020 + VAX plan-16 H61 0.020 + VAX plan-16 H63 0.020 + VAX plan-16 O66 0.020 + VAX plan-16 CL6 0.020 + VAX plan-16 H62 0.020 + VAX plan-17 C56 0.020 + VAX plan-17 C55 0.020 + VAX plan-17 O57 0.020 + VAX plan-17 N68 0.020 + VAX plan-17 HN8 0.020 + VAX plan-18 N68 0.020 + VAX plan-18 C56 0.020 + VAX plan-18 C69 0.020 + VAX plan-18 HN8 0.020 + VAX plan-19 C72 0.020 + VAX plan-19 C69 0.020 + VAX plan-19 C73 0.020 + VAX plan-19 C74 0.020 + VAX plan-19 C75 0.020 + VAX plan-19 C76 0.020 + VAX plan-19 C77 0.020 + VAX plan-19 C50 0.020 + VAX plan-19 O79 0.020 + VAX plan-19 H76 0.020 + VAX plan-19 O78 0.020 + VAX plan-19 H74 0.020 + VAX plan-20 C70 0.020 + VAX plan-20 C69 0.020 + VAX plan-20 O71 0.020 + VAX plan-20 O80 0.020 diff --git a/tracking/data/data_0A0.cif b/tracking/data/data_0A0.cif new file mode 100644 index 000000000..9735163ba --- /dev/null +++ b/tracking/data/data_0A0.cif @@ -0,0 +1,162 @@ +# electronic Ligand Builder and Optimisation Workbench (eLBOW) +# - a module of PHENIX version dev-1137 (Mon Aug 22 05:16:00 2012) +# - file written: Tue Aug 28 14:40:10 2012 +# +# Inital geometry file: a 51 line input string +# Ligand name: 2-methyl-L-aspartic acid +# Quantum optimisation: True +# Method: AM1 +# Random seed: 3628800 +# SMILES string: C[C@](N)(CC(O)=O)C(O)=O +# +data_comp_list +loop_ +_chem_comp.id +_chem_comp.three_letter_code +_chem_comp.name +_chem_comp.group +_chem_comp.number_atoms_all +_chem_comp.number_atoms_nh +_chem_comp.desc_level +_chem_comp.initial_date +_chem_comp.modified_date +_chem_comp.source +0A0 0A0 '2-methyl-L-aspartic acid ' L-peptide 19 10 . +2012-08-28 2012-08-28 +; +CIF prepared directly in eLBOW +; +# +data_comp_0A0 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.type_energy +_chem_comp_atom.partial_charge +_chem_comp_atom.x +_chem_comp_atom.y +_chem_comp_atom.z +0A0 N N NH2 . 0.8520 -1.0116 1.4763 +0A0 CA C CT . 0.7363 -0.8119 0.0407 +0A0 C C C . 1.2723 0.5716 -0.3446 +0A0 O O O . 1.8770 0.8914 -1.3693 +0A0 CB C CH2 . -0.7045 -0.9102 -0.5306 +0A0 CG C C . -1.7120 -0.1424 0.2597 +0A0 OD1 O O . -1.9376 -0.1708 1.4736 +0A0 OD2 O OH1 . -2.4754 0.6997 -0.4888 +0A0 OXT O OH1 . 1.0415 1.5522 0.5705 +0A0 CM C CH3 . 1.5784 -1.8488 -0.7276 +0A0 HN1 H HNH2 . 0.6512 -0.1597 1.9683 +0A0 HN2 H HNH2 . 0.2192 -1.7285 1.7724 +0A0 HBC1 H HCH2 . -0.7060 -0.5577 -1.5957 +0A0 HBC2 H HCH2 . -1.0256 -1.9873 -0.5186 +0A0 HMC1 H HCH3 . 1.3330 -2.8806 -0.3833 +0A0 HMC2 H HCH3 . 1.3637 -1.7601 -1.8192 +0A0 HMC3 H HCH3 . 2.6663 -1.6564 -0.5629 +0A0 H8 H HOH1 . -3.1072 1.1662 0.0841 +0A0 HXT H HOH1 . 1.4114 2.3919 0.2499 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.type +_chem_comp_bond.value_dist +_chem_comp_bond.value_dist_esd +0A0 N CA single 1.454 0.020 +0A0 N HN1 single 1.004 0.020 +0A0 N HN2 single 1.001 0.020 +0A0 CA C single 1.533 0.020 +0A0 CA CB single 1.553 0.020 +0A0 CA CM single 1.541 0.020 +0A0 C O double 1.232 0.020 +0A0 C OXT single 1.361 0.020 +0A0 CB CG single 1.493 0.020 +0A0 CB HBC1 single 1.122 0.020 +0A0 CB HBC2 single 1.124 0.020 +0A0 CG OD1 double 1.235 0.020 +0A0 CG OD2 single 1.361 0.020 +0A0 CM HMC1 single 1.115 0.020 +0A0 CM HMC2 single 1.116 0.020 +0A0 CM HMC3 single 1.117 0.020 +0A0 OD2 H8 single 0.972 0.020 +0A0 OXT HXT single 0.972 0.020 +# +loop_ +_chem_comp_angle.comp_id +_chem_comp_angle.atom_id_1 +_chem_comp_angle.atom_id_2 +_chem_comp_angle.atom_id_3 +_chem_comp_angle.value_angle +_chem_comp_angle.value_angle_esd +0A0 HN2 N HN1 109.65 3.000 +0A0 HN2 N CA 109.88 3.000 +0A0 HN1 N CA 110.57 3.000 +0A0 CM CA CB 106.32 3.000 +0A0 CM CA C 106.91 3.000 +0A0 CB CA C 106.80 3.000 +0A0 CM CA N 110.88 3.000 +0A0 CB CA N 115.36 3.000 +0A0 C CA N 110.14 3.000 +0A0 OXT C O 117.10 3.000 +0A0 OXT C CA 114.96 3.000 +0A0 O C CA 127.95 3.000 +0A0 HBC2 CB HBC1 108.11 3.000 +0A0 HBC2 CB CG 107.12 3.000 +0A0 HBC1 CB CG 109.88 3.000 +0A0 HBC2 CB CA 108.77 3.000 +0A0 HBC1 CB CA 109.31 3.000 +0A0 CG CB CA 113.50 3.000 +0A0 OD2 CG OD1 116.89 3.000 +0A0 OD2 CG CB 113.93 3.000 +0A0 OD1 CG CB 129.18 3.000 +0A0 H8 OD2 CG 109.72 3.000 +0A0 HXT OXT C 109.64 3.000 +0A0 HMC3 CM HMC2 108.54 3.000 +0A0 HMC3 CM HMC1 109.16 3.000 +0A0 HMC2 CM HMC1 109.47 3.000 +0A0 HMC3 CM CA 110.05 3.000 +0A0 HMC2 CM CA 109.21 3.000 +0A0 HMC1 CM CA 110.39 3.000 +# +loop_ +_chem_comp_tor.comp_id +_chem_comp_tor.id +_chem_comp_tor.atom_id_1 +_chem_comp_tor.atom_id_2 +_chem_comp_tor.atom_id_3 +_chem_comp_tor.atom_id_4 +_chem_comp_tor.value_angle +_chem_comp_tor.value_angle_esd +_chem_comp_tor.period +0A0 CONST_01 HXT OXT C CA 180.00 0.0 0 +0A0 CONST_02 H8 OD2 CG CB 180.00 0.0 0 +0A0 Var_01 OD1 CG CB CA -51.50 30.0 3 +# +loop_ +_chem_comp_chir.comp_id +_chem_comp_chir.id +_chem_comp_chir.atom_id_centre +_chem_comp_chir.atom_id_1 +_chem_comp_chir.atom_id_2 +_chem_comp_chir.atom_id_3 +_chem_comp_chir.volume_sign +0A0 chir_01 CA C CB CM negativ +# +loop_ +_chem_comp_plane_atom.comp_id +_chem_comp_plane_atom.plane_id +_chem_comp_plane_atom.atom_id +_chem_comp_plane_atom.dist_esd +0A0 plan-1 CA 0.020 +0A0 plan-1 C 0.020 +0A0 plan-1 O 0.020 +0A0 plan-1 OXT 0.020 +0A0 plan-1 HXT 0.020 +0A0 plan-2 CB 0.020 +0A0 plan-2 CG 0.020 +0A0 plan-2 OD1 0.020 +0A0 plan-2 OD2 0.020 +0A0 plan-2 H8 0.020 diff --git a/tracking/data/data_ADP.cif b/tracking/data/data_ADP.cif new file mode 100644 index 000000000..e0c8e3e45 --- /dev/null +++ b/tracking/data/data_ADP.cif @@ -0,0 +1,317 @@ +data_comp_list +loop_ +_chem_comp.id +_chem_comp.three_letter_code +_chem_comp.name +_chem_comp.group +_chem_comp.number_atoms_all +_chem_comp.number_atoms_nh +_chem_comp.desc_level +_chem_comp.initial_date +_chem_comp.modified_date +_chem_comp.source +ADP . 'ADENOSINE-5*-DIPHOSPHATE ' non-polymer 39 27 . 2013-08-02 2013-08-02 +; +Neutron distances added +; + +data_comp_ADP +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.type_energy +_chem_comp_atom.partial_charge +_chem_comp_atom.x +_chem_comp_atom.y +_chem_comp_atom.z +ADP O2A O OP -0.500 0.000 0.000 0.000 +ADP PA P P 0.000 1.026 1.100 0.106 +ADP O1A O OP -0.500 1.921 1.136 1.326 +ADP O3A O O2 0.000 2.021 1.042 -1.149 +ADP PB P P 0.000 1.545 0.853 -2.667 +ADP O3B O OP -0.660 2.802 0.361 -3.341 +ADP O2B O OP -0.660 0.421 -0.149 -2.613 +ADP O1B O OP -0.660 1.204 2.233 -3.157 +ADP O5' O O2 0.000 0.378 2.570 0.052 +ADP C5' C CH2 0.000 -0.566 2.955 -0.916 +ADP H5'1 H H 0.000 -1.399 2.252 -0.844 +ADP H5'2 H H 0.000 -0.084 2.847 -1.890 +ADP C4' C CH1 0.000 -1.083 4.370 -0.761 +ADP H4' H H 0.000 -1.632 4.428 0.189 +ADP C3' C CH1 0.000 -2.090 4.668 -1.916 +ADP H3' H H 0.000 -1.879 3.999 -2.762 +ADP O3' O OH1 0.000 -3.440 4.466 -1.480 +ADP HO3' H H 0.000 -4.046 4.656 -2.209 +ADP C2' C CH1 0.000 -1.837 6.119 -2.344 +ADP H2' H H 0.000 -1.474 6.137 -3.381 +ADP O2' O OH1 0.000 -3.017 6.926 -2.236 +ADP HO2' H H 0.000 -3.703 6.575 -2.820 +ADP C1' C CH1 0.000 -0.708 6.596 -1.394 +ADP H1' H H 0.000 -1.170 7.198 -0.599 +ADP O4' O O2 0.000 -0.087 5.445 -0.774 +ADP N9 N NR5 0.000 0.206 7.478 -2.154 +ADP C4 C CR56 0.000 0.006 8.787 -2.404 +ADP C5 C CR56 0.000 1.154 9.259 -3.227 +ADP N7 N NRD5 0.000 1.921 8.174 -3.367 +ADP C8 C CR15 0.000 1.354 7.121 -2.736 +ADP H8 H H 0.000 1.774 6.124 -2.706 +ADP N3 N NRD6 0.000 -0.914 9.729 -2.131 +ADP C2 C CR16 0.000 -0.770 10.995 -2.567 +ADP H2 H H 0.000 -1.551 11.694 -2.297 +ADP N1 N NRD6 0.000 0.247 11.479 -3.303 +ADP C6 C CR6 0.000 1.251 10.677 -3.682 +ADP N6 N NH2 0.000 2.300 11.102 -4.421 +ADP HN62 H H 0.000 3.030 10.454 -4.679 +ADP HN61 H H 0.000 2.352 12.066 -4.715 + +loop_ +_chem_comp_tree.comp_id +_chem_comp_tree.atom_id +_chem_comp_tree.atom_back +_chem_comp_tree.atom_forward +_chem_comp_tree.connect_type +ADP O2A n/a PA START +ADP PA O2A O5' . +ADP O1A PA . . +ADP O3A PA PB . +ADP PB O3A O1B . +ADP O3B PB . . +ADP O2B PB . . +ADP O1B PB . . +ADP O5' PA C5' . +ADP C5' O5' C4' . +ADP H5'1 C5' . . +ADP H5'2 C5' . . +ADP C4' C5' C3' . +ADP H4' C4' . . +ADP C3' C4' C2' . +ADP H3' C3' . . +ADP O3' C3' HO3' . +ADP HO3' O3' . . +ADP C2' C3' C1' . +ADP H2' C2' . . +ADP O2' C2' HO2' . +ADP HO2' O2' . . +ADP C1' C2' N9 . +ADP H1' C1' . . +ADP O4' C1' . . +ADP N9 C1' C4 . +ADP C4 N9 N3 . +ADP C5 C4 N7 . +ADP N7 C5 C8 . +ADP C8 N7 H8 . +ADP H8 C8 . . +ADP N3 C4 C2 . +ADP C2 N3 N1 . +ADP H2 C2 . . +ADP N1 C2 C6 . +ADP C6 N1 N6 . +ADP N6 C6 HN61 . +ADP HN62 N6 . . +ADP HN61 N6 . END +ADP C4' O4' . ADD +ADP N9 C8 . ADD +ADP C5 C6 . ADD + +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.type +_chem_comp_bond.value_dist +_chem_comp_bond.value_dist_esd +_chem_comp_bond.value_dist_neutron +ADP O1B PB deloc 1.510 0.020 1.510 +ADP O2B PB deloc 1.510 0.020 1.510 +ADP O3B PB deloc 1.510 0.020 1.510 +ADP PB O3A single 1.610 0.020 1.610 +ADP O1A PA deloc 1.510 0.020 1.510 +ADP PA O2A deloc 1.510 0.020 1.510 +ADP O3A PA single 1.610 0.020 1.610 +ADP O5' PA single 1.610 0.020 1.610 +ADP C5' O5' single 1.426 0.020 1.426 +ADP C4' C5' single 1.524 0.020 1.524 +ADP H5'1 C5' single 1.092 0.020 1.090 +ADP H5'2 C5' single 1.092 0.020 1.090 +ADP C4' O4' single 1.426 0.020 1.426 +ADP C3' C4' single 1.524 0.020 1.524 +ADP H4' C4' single 1.099 0.020 1.090 +ADP O4' C1' single 1.426 0.020 1.426 +ADP O3' C3' single 1.432 0.020 1.432 +ADP C2' C3' single 1.524 0.020 1.524 +ADP H3' C3' single 1.099 0.020 1.090 +ADP HO3' O3' single 0.967 0.020 0.980 +ADP O2' C2' single 1.432 0.020 1.432 +ADP C1' C2' single 1.524 0.020 1.524 +ADP H2' C2' single 1.099 0.020 1.090 +ADP HO2' O2' single 0.967 0.020 0.980 +ADP N9 C1' single 1.485 0.020 1.485 +ADP H1' C1' single 1.099 0.020 1.090 +ADP N9 C8 single 1.337 0.020 1.337 +ADP C4 N9 single 1.337 0.020 1.337 +ADP C8 N7 double 1.350 0.020 1.350 +ADP H8 C8 single 1.083 0.020 1.080 +ADP N7 C5 single 1.350 0.020 1.350 +ADP C5 C6 single 1.490 0.020 1.490 +ADP C5 C4 double 1.490 0.020 1.490 +ADP N6 C6 single 1.355 0.020 1.355 +ADP C6 N1 double 1.350 0.020 1.350 +ADP HN61 N6 single 1.010 0.020 1.020 +ADP HN62 N6 single 1.010 0.020 1.020 +ADP N1 C2 single 1.337 0.020 1.337 +ADP C2 N3 double 1.337 0.020 1.337 +ADP H2 C2 single 1.083 0.020 1.080 +ADP N3 C4 single 1.355 0.020 1.355 + +loop_ +_chem_comp_angle.comp_id +_chem_comp_angle.atom_id_1 +_chem_comp_angle.atom_id_2 +_chem_comp_angle.atom_id_3 +_chem_comp_angle.value_angle +_chem_comp_angle.value_angle_esd +ADP O2A PA O1A 119.900 3.000 +ADP O2A PA O3A 108.200 3.000 +ADP O2A PA O5' 108.200 3.000 +ADP O1A PA O3A 108.200 3.000 +ADP O1A PA O5' 108.200 3.000 +ADP O3A PA O5' 102.600 3.000 +ADP PA O3A PB 120.500 3.000 +ADP O3A PB O3B 108.200 3.000 +ADP O3A PB O2B 108.200 3.000 +ADP O3A PB O1B 108.200 3.000 +ADP O3B PB O2B 119.900 3.000 +ADP O3B PB O1B 119.900 3.000 +ADP O2B PB O1B 119.900 3.000 +ADP PA O5' C5' 120.500 3.000 +ADP O5' C5' H5'1 109.470 3.000 +ADP O5' C5' H5'2 109.470 3.000 +ADP O5' C5' C4' 109.470 3.000 +ADP H5'1 C5' H5'2 107.900 3.000 +ADP H5'1 C5' C4' 109.470 3.000 +ADP H5'2 C5' C4' 109.470 3.000 +ADP C5' C4' H4' 108.340 3.000 +ADP C5' C4' C3' 111.000 3.000 +ADP C5' C4' O4' 109.470 3.000 +ADP H4' C4' C3' 108.340 3.000 +ADP H4' C4' O4' 109.470 3.000 +ADP C3' C4' O4' 109.470 3.000 +ADP C4' C3' H3' 108.340 3.000 +ADP C4' C3' O3' 109.470 3.000 +ADP C4' C3' C2' 111.000 3.000 +ADP H3' C3' O3' 109.470 3.000 +ADP H3' C3' C2' 108.340 3.000 +ADP O3' C3' C2' 109.470 3.000 +ADP C3' O3' HO3' 109.470 3.000 +ADP C3' C2' H2' 108.340 3.000 +ADP C3' C2' O2' 109.470 3.000 +ADP C3' C2' C1' 111.000 3.000 +ADP H2' C2' O2' 109.470 3.000 +ADP H2' C2' C1' 108.340 3.000 +ADP O2' C2' C1' 109.470 3.000 +ADP C2' O2' HO2' 109.470 3.000 +ADP C2' C1' H1' 108.340 3.000 +ADP C2' C1' O4' 109.470 3.000 +ADP C2' C1' N9 109.470 3.000 +ADP H1' C1' O4' 109.470 3.000 +ADP H1' C1' N9 109.470 3.000 +ADP O4' C1' N9 109.470 3.000 +ADP C1' O4' C4' 111.800 3.000 +ADP C1' N9 C4 126.000 3.000 +ADP C1' N9 C8 126.000 3.000 +ADP C4 N9 C8 108.000 3.000 +ADP N9 C4 C5 108.000 3.000 +ADP N9 C4 N3 132.000 3.000 +ADP C5 C4 N3 120.000 3.000 +ADP C4 C5 N7 108.000 3.000 +ADP C4 C5 C6 120.000 3.000 +ADP N7 C5 C6 132.000 3.000 +ADP C5 N7 C8 108.000 3.000 +ADP N7 C8 H8 126.000 3.000 +ADP N7 C8 N9 108.000 3.000 +ADP H8 C8 N9 126.000 3.000 +ADP C4 N3 C2 120.000 3.000 +ADP N3 C2 H2 120.000 3.000 +ADP N3 C2 N1 120.000 3.000 +ADP H2 C2 N1 120.000 3.000 +ADP C2 N1 C6 120.000 3.000 +ADP N1 C6 N6 120.000 3.000 +ADP N1 C6 C5 120.000 3.000 +ADP N6 C6 C5 120.000 3.000 +ADP C6 N6 HN62 120.000 3.000 +ADP C6 N6 HN61 120.000 3.000 +ADP HN62 N6 HN61 120.000 3.000 + +loop_ +_chem_comp_tor.comp_id +_chem_comp_tor.id +_chem_comp_tor.atom_id_1 +_chem_comp_tor.atom_id_2 +_chem_comp_tor.atom_id_3 +_chem_comp_tor.atom_id_4 +_chem_comp_tor.value_angle +_chem_comp_tor.value_angle_esd +_chem_comp_tor.period +ADP var_1 O2A PA O3A PB 59.999 20.000 1 +ADP var_2 PA O3A PB O1B 60.003 20.000 1 +ADP var_3 O2A PA O5' C5' -59.997 20.000 1 +ADP var_4 PA O5' C5' C4' 180.000 20.000 1 +ADP var_5 O5' C5' C4' C3' 176.890 20.000 3 +ADP var_6 C5' C4' O4' C1' 150.000 20.000 1 +ADP var_7 C5' C4' C3' C2' -150.000 20.000 3 +ADP var_8 C4' C3' O3' HO3' 180.000 20.000 1 +ADP var_9 C4' C3' C2' C1' 0.000 20.000 3 +ADP var_10 C3' C2' O2' HO2' -61.459 20.000 1 +ADP var_11 C3' C2' C1' N9 150.000 20.000 3 +ADP var_12 C2' C1' O4' C4' -30.000 20.000 1 +ADP var_13 C2' C1' N9 C4 91.547 20.000 1 +ADP CONST_1 C1' N9 C8 N7 180.000 0.000 0 +ADP CONST_2 C1' N9 C4 N3 0.000 0.000 0 +ADP CONST_3 N9 C4 C5 N7 0.000 0.000 0 +ADP CONST_4 C4 C5 C6 N1 0.000 0.000 0 +ADP CONST_5 C4 C5 N7 C8 0.000 0.000 0 +ADP CONST_6 C5 N7 C8 N9 0.000 0.000 0 +ADP CONST_7 N9 C4 N3 C2 180.000 0.000 0 +ADP CONST_8 C4 N3 C2 N1 0.000 0.000 0 +ADP CONST_9 N3 C2 N1 C6 0.000 0.000 0 +ADP CONST_10 C2 N1 C6 N6 180.000 0.000 0 +ADP CONST_11 N1 C6 N6 HN61 0.000 0.000 0 + +loop_ +_chem_comp_chir.comp_id +_chem_comp_chir.id +_chem_comp_chir.atom_id_centre +_chem_comp_chir.atom_id_1 +_chem_comp_chir.atom_id_2 +_chem_comp_chir.atom_id_3 +_chem_comp_chir.volume_sign +ADP chir_01 C4' C5' O4' C3' negativ +ADP chir_02 C3' C4' O3' C2' negativ +ADP chir_03 C2' C3' O2' C1' negativ +ADP chir_04 C1' O4' C2' N9 positiv + +loop_ +_chem_comp_plane_atom.comp_id +_chem_comp_plane_atom.plane_id +_chem_comp_plane_atom.atom_id +_chem_comp_plane_atom.dist_esd +ADP plan-1 N9 0.020 +ADP plan-1 C1' 0.020 +ADP plan-1 C8 0.020 +ADP plan-1 C4 0.020 +ADP plan-1 N7 0.020 +ADP plan-1 H8 0.020 +ADP plan-1 C5 0.020 +ADP plan-1 C6 0.020 +ADP plan-1 N1 0.020 +ADP plan-1 C2 0.020 +ADP plan-1 N3 0.020 +ADP plan-1 N6 0.020 +ADP plan-1 H2 0.020 +ADP plan-1 HN62 0.020 +ADP plan-1 HN61 0.020 +ADP plan-2 N6 0.020 +ADP plan-2 C6 0.020 +ADP plan-2 HN61 0.020 +ADP plan-2 HN62 0.020 diff --git a/tracking/data/data_CLA.cif b/tracking/data/data_CLA.cif new file mode 100644 index 000000000..0ad26bc24 --- /dev/null +++ b/tracking/data/data_CLA.cif @@ -0,0 +1,806 @@ +data_comp_list +loop_ +_chem_comp.id +_chem_comp.three_letter_code +_chem_comp.name +_chem_comp.group +_chem_comp.number_atoms_all +_chem_comp.number_atoms_nh +_chem_comp.desc_level +_chem_comp.initial_date +_chem_comp.modified_date +_chem_comp.source +CLA CLA 'CHLOROPHYLL A' ligand 137 65 . +2012-08-07 2012-08-09 +; +Edited copy of eLBOW output using Chemical Components and AM1 +; +# +data_comp_CLA +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.type_energy +_chem_comp_atom.partial_charge +_chem_comp_atom.x +_chem_comp_atom.y +_chem_comp_atom.z +CLA MG MG MG . -3.7530 3.4723 2.5476 +CLA CHA C CR6 . -1.3313 3.1858 4.9524 +CLA CHB C CR16 . -1.3836 3.2686 0.1603 +CLA CHC C CR16 . -6.2229 3.8481 0.1820 +CLA CHD C CR16 . -6.2117 3.3807 5.0623 +CLA NA N N . -1.6364 3.2812 2.5735 +CLA C1A C CR56 . -0.8559 3.1568 3.6109 +CLA C2A C CR15 . 0.4908 2.9572 3.2096 +CLA C3A C CR15 . 0.4513 3.1278 1.8085 +CLA C4A C CR56 . -0.9349 3.1991 1.5132 +CLA CMA C CH3 . 1.1257 4.2454 1.4007 +CLA CAA C CH2 . 0.9071 1.7292 3.5556 +CLA CBA C CH2 . 2.3645 1.5307 3.2360 +CLA CGA C C . 2.7946 0.1531 3.6397 +CLA O1A O O . 2.6668 -0.4040 4.7322 +CLA O2A O O2 . 3.4846 -0.5014 2.6479 +CLA NB N N . -3.7745 3.5931 0.5528 +CLA C1B C CR56 . -2.7160 3.4199 -0.2484 +CLA C2B C CR5 . -3.1653 3.4156 -1.7020 +CLA C3B C CR5 . -4.5092 3.6668 -1.7011 +CLA C4B C CR56 . -4.9406 3.7603 -0.2660 +CLA CMB C CH3 . -2.2392 3.0962 -2.8571 +CLA CAB C C1 . -5.4343 3.8178 -2.8156 +CLA CBB C C2 . -6.7557 4.0808 -2.6916 +CLA NC N N . -5.8375 3.5373 2.6233 +CLA C1C C CR56 . -6.6521 3.6779 1.5251 +CLA C2C C CR5 . -8.0400 3.6278 1.9318 +CLA C3C C CR5 . -8.0421 3.4996 3.3332 +CLA C4C C CR56 . -6.6508 3.4827 3.7531 +CLA CMC C CH3 . -9.1763 3.5374 1.0064 +CLA CAC C CH2 . -9.2384 3.2874 4.2221 +CLA CBC C CH3 . -10.0400 4.5698 4.4460 +CLA ND N N . -3.8167 3.2852 4.5366 +CLA C1D C CR56 . -4.8781 3.3342 5.4581 +CLA C2D C CR5 . -4.3381 3.2969 6.7802 +CLA C3D C CR5 . -2.9475 3.3058 6.6309 +CLA C4D C CR56 . -2.6984 3.2788 5.2443 +CLA CMD C CH3 . -5.1373 3.3254 8.0067 +CLA CAD C C . -1.6926 3.2454 7.2805 +CLA OBD O O . -1.4363 3.2068 8.4884 +CLA CBD C CH1 . -0.6420 3.2464 6.2104 +CLA CGD C C . 0.1502 4.2994 6.2878 +CLA O1D O O . 0.9831 4.6793 5.4624 +CLA O2D O O2 . -0.0538 5.0626 7.3919 +CLA CED C CH3 . 0.8018 6.1904 7.5870 +CLA C1 C CH2 . 3.9035 -1.8589 2.9379 +CLA C2 C C1 . 4.7280 -2.3189 1.7667 +CLA C3 C C . 5.2967 -3.5476 1.7105 +CLA C4 C CH3 . 5.1122 -4.5477 2.7877 +CLA C5 C CH2 . 6.1144 -3.9686 0.5172 +CLA C6 C CH2 . 5.5743 -5.2337 -0.1492 +CLA C7 C CH2 . 6.2322 -5.4558 -1.5023 +CLA C8 C CH1 . 5.9438 -6.7481 -2.0280 +CLA C9 C CH3 . 6.8538 -7.7019 -1.5317 +CLA C10 C CH2 . 5.9621 -6.7386 -3.4442 +CLA C11 C CH2 . 4.6440 -6.2587 -4.0163 +CLA C12 C CH2 . 4.7190 -6.0659 -5.5188 +CLA C13 C CH1 . 3.4624 -5.6532 -6.0530 +CLA C14 C CH3 . 2.5733 -6.7429 -6.1580 +CLA C15 C CH2 . 3.6170 -5.0106 -7.3197 +CLA C16 C CH2 . 2.6230 -3.8825 -7.4862 +CLA C17 C CH2 . 2.6313 -3.3351 -8.8972 +CLA C18 C CH1 . 1.8578 -2.0241 -8.9991 +CLA C19 C CH3 . 2.7176 -0.8514 -8.5762 +CLA C20 C CH3 . 1.3453 -1.8153 -10.4139 +CLA HHB H HCR6 . -0.6280 3.2614 -0.6285 +CLA HHC H HCR6 . -7.0222 3.9458 -0.5523 +CLA HHD H HCR6 . -6.9751 3.4206 5.8519 +CLA H2A H HCR5 . 1.1462 3.7344 3.6916 +CLA H3A H HCR5 . 0.8774 2.2257 1.2909 +CLA HMA1 H HCH3 . 0.8462 5.1365 2.0312 +CLA HMA2 H HCH3 . 2.2293 4.0778 1.4926 +CLA HMA3 H HCH3 . 0.8826 4.4805 0.3203 +CLA HAA1 H HCH2 . 0.2922 0.9533 3.0200 +CLA HAA2 H HCH2 . 0.7518 1.5752 4.6510 +CLA HBA1 H HCH2 . 2.5559 1.6864 2.1379 +CLA HBA2 H HCH2 . 2.9954 2.2687 3.8099 +CLA HMB1 H HCH3 . -1.7589 2.0903 -2.7073 +CLA HMB2 H HCH3 . -2.8011 3.0773 -3.8330 +CLA HMB3 H HCH3 . -1.4238 3.8638 -2.9303 +CLA HAB H H . -4.9683 3.7019 -3.8247 +CLA HBB1 H H . -7.4118 4.1995 -3.5716 +CLA HBB2 H H . -7.2246 4.2923 -1.7395 +CLA HMC1 H HCH3 . -10.1490 3.5220 1.5688 +CLA HMC2 H HCH3 . -9.1081 2.5893 0.3852 +CLA HMC3 H HCH3 . -9.1887 4.4239 0.2964 +CLA HAC1 H HCH2 . -8.9148 2.8684 5.2211 +CLA HAC2 H HCH2 . -9.9101 2.5108 3.7457 +CLA HBC1 H HCH3 . -10.9553 4.3481 5.0472 +CLA HBC2 H HCH3 . -9.4255 5.3315 4.9955 +CLA HBC3 H HCH3 . -10.3557 5.0122 3.4632 +CLA HMD1 H HCH3 . -4.4763 3.4240 8.9130 +CLA HMD2 H HCH3 . -5.7316 2.3780 8.1048 +CLA HMD3 H HCH3 . -5.8569 4.1890 7.9873 +CLA HBD H HCH1 . 0.0038 2.3359 6.3625 +CLA HED1 H HCH3 . 0.7895 6.3498 8.6985 +CLA HED2 H HCH3 . 0.3571 7.0707 7.0421 +CLA HED3 H HCH3 . 1.8505 5.9828 7.2150 +CLA H11 H HCH2 . 4.4976 -1.8605 3.8990 +CLA H12 H HCH2 . 2.9834 -2.4927 3.0783 +CLA H2 H H . 4.8680 -1.5798 0.9647 +CLA H41 H HCH3 . 5.7807 -5.4356 2.6430 +CLA H42 H HCH3 . 4.0448 -4.9061 2.8050 +CLA H43 H HCH3 . 5.3390 -4.0973 3.7823 +CLA H51 H HCH2 . 7.1734 -4.1503 0.8539 +CLA H52 H HCH2 . 6.1462 -3.1405 -0.2375 +CLA H61 H HCH2 . 4.4596 -5.1485 -0.2836 +CLA H62 H HCH2 . 5.7605 -6.1202 0.5155 +CLA H71 H HCH2 . 5.8700 -4.6646 -2.2172 +CLA H72 H HCH2 . 7.3437 -5.3285 -1.4099 +CLA H8 H HCH1 . 4.9136 -7.0439 -1.6951 +CLA H91 H HCH3 . 6.8486 -7.6982 -0.4133 +CLA H92 H HCH3 . 6.5769 -8.7302 -1.8856 +CLA H93 H HCH3 . 7.8980 -7.4730 -1.8841 +CLA H101 H HCH2 . 6.1700 -7.7826 -3.8244 +CLA H102 H HCH2 . 6.7930 -6.0873 -3.8015 +CLA H111 H HCH2 . 3.8428 -6.9985 -3.7714 +CLA H112 H HCH2 . 4.3537 -5.2865 -3.5303 +CLA H121 H HCH2 . 5.5037 -5.2873 -5.7467 +CLA H122 H HCH2 . 5.0471 -7.0227 -6.0126 +CLA H13 H HCH1 . 3.0168 -4.9095 -5.3367 +CLA H141 H HCH3 . 2.9932 -7.5313 -6.8307 +CLA H142 H HCH3 . 2.3883 -7.2006 -5.1476 +CLA H143 H HCH3 . 1.5879 -6.4008 -6.5819 +CLA H151 H HCH2 . 4.6589 -4.5959 -7.4225 +CLA H152 H HCH2 . 3.4806 -5.7637 -8.1501 +CLA H161 H HCH2 . 1.5874 -4.2489 -7.2330 +CLA H162 H HCH2 . 2.8717 -3.0544 -6.7523 +CLA H171 H HCH2 . 3.6893 -3.1734 -9.2381 +CLA H172 H HCH2 . 2.1750 -4.0957 -9.5885 +CLA H18 H HCH1 . 0.9687 -2.0801 -8.3071 +CLA H191 H HCH3 . 2.1176 0.0908 -8.5795 +CLA H192 H HCH3 . 3.1215 -1.0121 -7.5465 +CLA H193 H HCH3 . 3.5794 -0.7238 -9.2775 +CLA H201 H HCH3 . 2.1907 -1.8189 -11.1418 +CLA H202 H HCH3 . 0.8142 -0.8345 -10.4926 +CLA H203 H HCH3 . 0.6310 -2.6294 -10.6960 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.type +_chem_comp_bond.value_dist +_chem_comp_bond.value_dist_esd +CLA O2A C1 single 1.442 0.02 +CLA NA C4A aromatic 1.370 0.02 +CLA C20 H203 single 1.117 0.02 +CLA C16 H162 single 1.122 0.02 +CLA CBC HBC1 single 1.116 0.02 +CLA C16 H161 single 1.122 0.02 +CLA C3D CAD single 1.454 0.02 +CLA C12 H121 single 1.122 0.02 +CLA CBC HBC3 single 1.117 0.02 +CLA C2C CMC single 1.464 0.02 +CLA C11 H112 single 1.122 0.02 +CLA CMD HMD3 single 1.119 0.02 +CLA C3D C4D aromatic 1.477 0.02 +CLA C9 H92 single 1.116 0.02 +CLA C1 H12 single 1.124 0.02 +CLA C3 C4 single 1.482 0.02 +CLA C19 H191 single 1.117 0.02 +CLA C13 C14 single 1.515 0.02 +CLA C2A H2A single 1.125 0.02 +CLA CMB HMB1 single 1.121 0.02 +CLA CHA C1A aromatic 1.367 0.02 +CLA CMB HMB3 single 1.121 0.02 +CLA CMC HMC3 single 1.119 0.02 +CLA CHA CBD single 1.512 0.02 +CLA CMA HMA1 single 1.117 0.02 +CLA NB C4B aromatic 1.415 0.02 +CLA CMB HMB2 single 1.119 0.02 +CLA CED HED3 single 1.117 0.02 +CLA CHB HHB single 1.102 0.02 +CLA CAD CBD single 1.563 0.02 +CLA MG NB single 2.013 0.02 +CLA CGD O2D single 1.363 0.02 +CLA CBD CGD single 1.505 0.02 +CLA CAC HAC1 single 1.123 0.02 +CLA C14 H142 single 1.116 0.02 +CLA C7 C8 single 1.524 0.02 +CLA C19 H193 single 1.117 0.02 +CLA CHD HHD single 1.106 0.02 +CLA C18 C19 single 1.515 0.02 +CLA C17 C18 single 1.523 0.02 +CLA C3A C4A single 1.532 0.02 +CLA C9 H93 single 1.117 0.02 +CLA CBA HBA2 single 1.123 0.02 +CLA CGD O1D double 1.235 0.02 +CLA C13 H13 single 1.128 0.02 +CLA CED HED2 single 1.118 0.02 +CLA CMD HMD2 single 1.121 0.02 +CLA C3A H3A single 1.123 0.02 +CLA C2C C3C aromatic 1.396 0.02 +CLA O2D CED single 1.429 0.02 +CLA NC C4C aromatic 1.398 0.02 +CLA CAA HAA2 single 1.123 0.02 +CLA C3B C4B aromatic 1.491 0.02 +CLA CMD HMD1 single 1.120 0.02 +CLA C11 H111 single 1.121 0.02 +CLA CHA C4D aromatic 1.432 0.02 +CLA C7 H71 single 1.122 0.02 +CLA C5 C6 single 1.517 0.02 +CLA C20 H202 single 1.117 0.02 +CLA C17 H171 single 1.122 0.02 +CLA CAA HAA1 single 1.122 0.02 +CLA C3A CMA single 1.508 0.02 +CLA C4 H43 single 1.120 0.02 +CLA C17 H172 single 1.122 0.02 +CLA CMA HMA2 single 1.118 0.02 +CLA C5 H51 single 1.124 0.02 +CLA C15 C16 single 1.515 0.02 +CLA C1C C2C aromatic 1.459 0.02 +CLA C8 H8 single 1.127 0.02 +CLA C12 C13 single 1.523 0.02 +CLA C6 H61 single 1.122 0.02 +CLA C3C C4C aromatic 1.460 0.02 +CLA C10 H102 single 1.121 0.02 +CLA C9 H91 single 1.117 0.02 +CLA CAA CBA single 1.515 0.02 +CLA CAC CBC single 1.511 0.02 +CLA C2B CMB single 1.462 0.02 +CLA CGA O1A double 1.233 0.02 +CLA C16 C17 single 1.514 0.02 +CLA CHB C4A aromatic 1.384 0.02 +CLA CHD C4C aromatic 1.408 0.02 +CLA C15 H152 single 1.122 0.02 +CLA C18 C20 single 1.514 0.02 +CLA MG NC single 2.088 0.02 +CLA C2A CAA single 1.518 0.02 +CLA C1B C2B aromatic 1.492 0.02 +CLA C3B CAB single 1.439 0.02 +CLA C11 C12 single 1.515 0.02 +CLA C5 H52 single 1.124 0.02 +CLA CBC HBC2 single 1.116 0.02 +CLA CED HED1 single 1.118 0.02 +CLA C2A C3A single 1.549 0.02 +CLA C14 H141 single 1.117 0.02 +CLA C15 H151 single 1.122 0.02 +CLA CHC C1C aromatic 1.427 0.02 +CLA CAB HAB single 1.107 0.02 +CLA CHD C1D aromatic 1.381 0.02 +CLA C4 H41 single 1.118 0.02 +CLA C1A C2A single 1.526 0.02 +CLA CAC HAC2 single 1.126 0.02 +CLA CBA HBA1 single 1.122 0.02 +CLA CBD HBD single 1.126 0.02 +CLA C2B C3B aromatic 1.377 0.02 +CLA CBA CGA single 1.498 0.02 +CLA C19 H192 single 1.116 0.02 +CLA C6 C7 single 1.515 0.02 +CLA MG ND single 2.022 0.02 +CLA C8 C9 single 1.515 0.02 +CLA CHC HHC single 1.104 0.02 +CLA CAB CBB double 1.335 0.02 +CLA C6 H62 single 1.122 0.02 +CLA MG NA single 2.089 0.02 +CLA CMA HMA3 single 1.118 0.02 +CLA CBB HBB2 single 1.099 0.02 +CLA CMC HMC2 single 1.120 0.02 +CLA ND C1D aromatic 1.421 0.02 +CLA C7 H72 single 1.122 0.02 +CLA C20 H201 single 1.116 0.02 +CLA C2 C3 double 1.343 0.02 +CLA NB C1B aromatic 1.359 0.02 +CLA C3C CAC single 1.472 0.02 +CLA C3 C5 single 1.490 0.02 +CLA C4 H42 single 1.120 0.02 +CLA CBB HBB1 single 1.098 0.02 +CLA C10 C11 single 1.513 0.02 +CLA CGA O2A single 1.367 0.02 +CLA C2D CMD single 1.462 0.02 +CLA C2 H2 single 1.102 0.02 +CLA ND C4D aromatic 1.333 0.02 +CLA CMC HMC1 single 1.119 0.02 +CLA C1 C2 single 1.484 0.02 +CLA C10 H101 single 1.122 0.02 +CLA CHC C4B aromatic 1.363 0.02 +CLA C2D C3D aromatic 1.385 0.02 +CLA C1 H11 single 1.124 0.02 +CLA NA C1A aromatic 1.401 0.02 +CLA C13 C15 single 1.525 0.02 +CLA C1D C2D aromatic 1.483 0.02 +CLA CHB C1B aromatic 1.408 0.02 +CLA C8 C10 single 1.524 0.02 +CLA CAD OBD double 1.227 0.02 +CLA C12 H122 single 1.121 0.02 +CLA C14 H143 single 1.117 0.02 +CLA C18 H18 single 1.127 0.02 +CLA NC C1C aromatic 1.370 0.02 +# +loop_ +_chem_comp_angle.comp_id +_chem_comp_angle.atom_id_1 +_chem_comp_angle.atom_id_2 +_chem_comp_angle.atom_id_3 +_chem_comp_angle.value_angle +_chem_comp_angle.value_angle_esd +CLA H112 C11 C12 109.30 3.0 +CLA H61 C6 C7 109.46 3.0 +CLA H193 C19 H192 108.41 3.0 +CLA C13 C12 C11 111.33 3.0 +CLA H102 C10 H101 107.14 3.0 +CLA CMC C2C C1C 124.86 3.0 +CLA H112 C11 C10 109.60 3.0 +CLA HBA2 CBA CGA 107.67 3.0 +CLA H143 C14 C13 110.19 3.0 +CLA H72 C7 C8 109.48 3.0 +CLA HMD3 CMD HMD1 108.83 3.0 +CLA C14 C13 C12 110.89 3.0 +CLA HAA2 CAA C2A 109.59 3.0 +CLA HMC3 CMC HMC2 108.09 3.0 +CLA C4B NB C1B 108.39 3.0 +CLA HMA2 CMA HMA1 108.45 3.0 +CLA H72 C7 C6 109.80 3.0 +CLA NC MG NA 175.73 3.0 +CLA C4A C3A C2A 103.38 3.0 +CLA H93 C9 H92 108.46 3.0 +CLA H3A C3A C2A 110.78 3.0 +CLA H2A C2A CAA 110.13 3.0 +CLA HMB3 CMB C2B 110.43 3.0 +CLA HAA2 CAA CBA 108.95 3.0 +CLA NB C4B CHC 126.10 3.0 +CLA H102 C10 C8 109.54 3.0 +CLA HHB CHB C4A 117.88 3.0 +CLA NA C4A CHB 127.66 3.0 +CLA H93 C9 H91 108.45 3.0 +CLA H2 C2 C1 115.61 3.0 +CLA H162 C16 C15 109.22 3.0 +CLA H62 C6 C5 109.68 3.0 +CLA H172 C17 C18 109.51 3.0 +CLA HAA1 CAA CBA 109.73 3.0 +CLA C2C C1C NC 109.87 3.0 +CLA HAC2 CAC CBC 109.07 3.0 +CLA HMD3 CMD HMD2 108.09 3.0 +CLA HMD2 CMD C2D 110.26 3.0 +CLA HHD CHD C1D 117.52 3.0 +CLA HBB1 CBB CAB 121.88 3.0 +CLA CMA C3A C2A 112.13 3.0 +CLA CGD CBD CHA 111.76 3.0 +CLA NB MG NA 91.79 3.0 +CLA HHB CHB C1B 116.63 3.0 +CLA H18 C18 C17 108.43 3.0 +CLA C3A C4A CHB 120.43 3.0 +CLA ND MG NB 176.90 3.0 +CLA H122 C12 C11 109.93 3.0 +CLA C4D ND MG 120.78 3.0 +CLA ND C1D CHD 122.45 3.0 +CLA C2D C1D ND 108.87 3.0 +CLA C4B NB MG 125.83 3.0 +CLA H111 C11 C12 109.70 3.0 +CLA C4D CHA C1A 121.80 3.0 +CLA H152 C15 H151 106.89 3.0 +CLA C3C C4C CHD 125.29 3.0 +CLA C1B NB MG 125.77 3.0 +CLA CMB C2B C3B 129.86 3.0 +CLA H202 C20 C18 110.27 3.0 +CLA HMA3 CMA C3A 110.39 3.0 +CLA HED1 CED O2D 103.89 3.0 +CLA HMB2 CMB C2B 110.99 3.0 +CLA HBA1 CBA CAA 110.66 3.0 +CLA C1C NC MG 124.40 3.0 +CLA HMC3 CMC C2C 110.74 3.0 +CLA H122 C12 H121 107.17 3.0 +CLA NA C1A CHA 123.05 3.0 +CLA H151 C15 C16 108.88 3.0 +CLA HMB3 CMB HMB1 108.05 3.0 +CLA HBA2 CBA HBA1 108.12 3.0 +CLA H12 C1 O2A 108.40 3.0 +CLA H193 C19 C18 110.53 3.0 +CLA HBC3 CBC HBC1 108.59 3.0 +CLA HBD CBD CAD 108.00 3.0 +CLA H93 C9 C8 110.57 3.0 +CLA H162 C16 C17 109.75 3.0 +CLA HBC1 CBC CAC 110.05 3.0 +CLA CAA C2A C1A 110.32 3.0 +CLA HED2 CED O2D 108.33 3.0 +CLA H121 C12 C13 109.71 3.0 +CLA HMB1 CMB C2B 110.42 3.0 +CLA H62 C6 C7 109.87 3.0 +CLA H52 C5 H51 107.10 3.0 +CLA CAD C3D C2D 146.32 3.0 +CLA C3C C2C C1C 106.65 3.0 +CLA CBD CAD OBD 123.48 3.0 +CLA HBC2 CBC CAC 110.71 3.0 +CLA CBC CAC C3C 112.47 3.0 +CLA H61 C6 C5 109.81 3.0 +CLA C3B C4B NB 107.86 3.0 +CLA H13 C13 C14 108.17 3.0 +CLA HBC2 CBC HBC1 108.67 3.0 +CLA H192 C19 C18 110.55 3.0 +CLA C15 C13 C12 111.44 3.0 +CLA O2A CGA O1A 118.44 3.0 +CLA H43 C4 C3 110.55 3.0 +CLA CAB C3B C2B 130.02 3.0 +CLA HBD CBD CHA 111.34 3.0 +CLA NC C4C CHD 125.84 3.0 +CLA C11 C10 C8 111.58 3.0 +CLA CMD C2D C3D 129.13 3.0 +CLA CAC C3C C4C 126.16 3.0 +CLA OBD CAD C3D 129.33 3.0 +CLA C1A NA MG 127.73 3.0 +CLA ND C4D CHA 135.50 3.0 +CLA C3D C2D C1D 106.25 3.0 +CLA NB C1B CHB 126.41 3.0 +CLA H101 C10 C8 109.42 3.0 +CLA CBB CAB C3B 124.73 3.0 +CLA HHD CHD C4C 117.18 3.0 +CLA CMA C3A C4A 112.13 3.0 +CLA H202 C20 H201 108.48 3.0 +CLA C4 C3 C2 122.00 3.0 +CLA C18 C17 C16 111.77 3.0 +CLA C4D ND C1D 106.79 3.0 +CLA HMA1 CMA C3A 110.97 3.0 +CLA C4B C3B C2B 107.18 3.0 +CLA H3A C3A C4A 108.59 3.0 +CLA C1D ND MG 132.32 3.0 +CLA C3 C2 C1 122.64 3.0 +CLA H171 C17 C16 109.90 3.0 +CLA H143 C14 H142 108.56 3.0 +CLA C3B C4B CHC 126.04 3.0 +CLA C3A C2A C1A 103.25 3.0 +CLA C10 C8 C9 110.21 3.0 +CLA CBD CHA C1A 131.70 3.0 +CLA C3A C4A NA 111.91 3.0 +CLA C3D C4D ND 111.92 3.0 +CLA C4C C3C C2C 106.81 3.0 +CLA H201 C20 C18 110.59 3.0 +CLA H52 C5 C6 109.17 3.0 +CLA CED O2D CGD 117.79 3.0 +CLA H42 C4 C3 110.13 3.0 +CLA HAB CAB CBB 120.67 3.0 +CLA HMA2 CMA C3A 109.79 3.0 +CLA HAA1 CAA C2A 109.76 3.0 +CLA H191 C19 C18 110.33 3.0 +CLA HHC CHC C4B 118.44 3.0 +CLA H152 C15 C13 109.82 3.0 +CLA HBA1 CBA CGA 109.93 3.0 +CLA HED3 CED HED1 111.19 3.0 +CLA H92 C9 C8 110.48 3.0 +CLA HMD2 CMD HMD1 108.32 3.0 +CLA H91 C9 C8 110.32 3.0 +CLA HMC1 CMC C2C 110.78 3.0 +CLA O2D CGD CBD 113.93 3.0 +CLA HMB3 CMB HMB2 108.52 3.0 +CLA H151 C15 C13 110.28 3.0 +CLA C1B CHB C4A 125.49 3.0 +CLA NC MG NB 91.30 3.0 +CLA HMB2 CMB HMB1 108.34 3.0 +CLA H172 C17 C16 109.01 3.0 +CLA H152 C15 C16 109.69 3.0 +CLA HBD CBD CGD 107.32 3.0 +CLA H193 C19 H191 108.40 3.0 +CLA H8 C8 C7 108.62 3.0 +CLA HHC CHC C1C 115.39 3.0 +CLA NC C1C CHC 126.08 3.0 +CLA C4C NC C1C 107.79 3.0 +CLA HMA3 CMA HMA2 108.73 3.0 +CLA HMD3 CMD C2D 110.49 3.0 +CLA H51 C5 C3 108.58 3.0 +CLA HAC2 CAC HAC1 106.72 3.0 +CLA HED2 CED HED1 111.30 3.0 +CLA H121 C12 C11 108.79 3.0 +CLA H203 C20 C18 110.48 3.0 +CLA H161 C16 C17 109.39 3.0 +CLA C3D C4D CHA 112.48 3.0 +CLA H3A C3A CMA 109.67 3.0 +CLA H43 C4 H41 108.28 3.0 +CLA CAC C3C C2C 127.02 3.0 +CLA H172 C17 H171 107.05 3.0 +CLA HMD1 CMD C2D 110.78 3.0 +CLA H142 C14 C13 110.56 3.0 +CLA ND MG NA 90.74 3.0 +CLA C8 C7 C6 111.99 3.0 +CLA C4D C3D C2D 106.16 3.0 +CLA C1C CHC C4B 126.17 3.0 +CLA H102 C10 C11 110.02 3.0 +CLA H13 C13 C15 108.19 3.0 +CLA HMC2 CMC HMC1 108.31 3.0 +CLA HBC3 CBC HBC2 108.34 3.0 +CLA C6 C5 C3 112.60 3.0 +CLA CMC C2C C3C 128.48 3.0 +CLA C4A NA C1A 109.51 3.0 +CLA C20 C18 C17 110.54 3.0 +CLA H112 C11 H111 106.99 3.0 +CLA HAC2 CAC C3C 108.71 3.0 +CLA CBA CAA C2A 111.52 3.0 +CLA H41 C4 C3 111.48 3.0 +CLA CAB C3B C4B 122.79 3.0 +CLA O1A CGA CBA 128.67 3.0 +CLA HMA3 CMA HMA1 108.46 3.0 +CLA C3C C4C NC 108.87 3.0 +CLA CGA CBA CAA 110.07 3.0 +CLA H203 C20 H202 108.50 3.0 +CLA CMD C2D C1D 124.61 3.0 +CLA C19 C18 C17 111.05 3.0 +CLA ND MG NC 86.27 3.0 +CLA C12 C11 C10 111.80 3.0 +CLA H52 C5 C3 110.03 3.0 +CLA CAD C3D C4D 107.43 3.0 +CLA C2 C1 O2A 106.82 3.0 +CLA H62 C6 H61 107.13 3.0 +CLA H92 C9 H91 108.51 3.0 +CLA O2D CGD O1D 118.28 3.0 +CLA H142 C14 H141 108.36 3.0 +CLA HAB CAB C3B 114.60 3.0 +CLA H51 C5 C6 109.21 3.0 +CLA C20 C18 C19 110.17 3.0 +CLA C3B C2B C1B 106.85 3.0 +CLA CMB C2B C1B 123.28 3.0 +CLA C15 C13 C14 110.31 3.0 +CLA H203 C20 H201 108.47 3.0 +CLA C2C C1C CHC 124.03 3.0 +CLA C1D CHD C4C 125.30 3.0 +CLA C4A NA MG 122.75 3.0 +CLA HBC3 CBC CAC 110.42 3.0 +CLA O2A CGA CBA 112.89 3.0 +CLA C2B C1B NB 109.70 3.0 +CLA H18 C18 C20 108.22 3.0 +CLA H71 C7 C8 109.71 3.0 +CLA H143 C14 H141 108.44 3.0 +CLA H141 C14 C13 110.67 3.0 +CLA H171 C17 C18 109.48 3.0 +CLA H12 C1 C2 111.91 3.0 +CLA C16 C15 C13 111.19 3.0 +CLA C2B C1B CHB 123.88 3.0 +CLA H2 C2 C3 121.74 3.0 +CLA C5 C3 C2 120.95 3.0 +CLA H122 C12 C13 109.81 3.0 +CLA H2A C2A C3A 111.18 3.0 +CLA HMC3 CMC HMC1 108.30 3.0 +CLA H71 C7 C6 108.81 3.0 +CLA H111 C11 C10 109.34 3.0 +CLA H8 C8 C9 108.24 3.0 +CLA H11 C1 O2A 108.86 3.0 +CLA H2A C2A C1A 109.75 3.0 +CLA H18 C18 C19 108.35 3.0 +CLA H11 C1 C2 111.93 3.0 +CLA CBD CAD C3D 107.10 3.0 +CLA CGD CBD CAD 112.06 3.0 +CLA H72 C7 H71 106.93 3.0 +CLA C17 C16 C15 111.67 3.0 +CLA HAA2 CAA HAA1 107.20 3.0 +CLA HMC2 CMC C2C 110.54 3.0 +CLA H43 C4 H42 107.91 3.0 +CLA C5 C3 C4 117.04 3.0 +CLA HED3 CED HED2 110.49 3.0 +CLA CAD CBD CHA 106.35 3.0 +CLA C1 O2A CGA 116.42 3.0 +CLA CAA C2A C3A 112.02 3.0 +CLA C2D C1D CHD 128.63 3.0 +CLA H12 C1 H11 108.81 3.0 +CLA H101 C10 C11 109.03 3.0 +CLA H162 C16 H161 107.06 3.0 +CLA C2A C1A NA 111.16 3.0 +CLA HAC1 CAC C3C 110.29 3.0 +CLA C9 C8 C7 110.55 3.0 +CLA HBB2 CBB HBB1 115.13 3.0 +CLA C7 C6 C5 110.82 3.0 +CLA H8 C8 C10 108.23 3.0 +CLA H42 C4 H41 108.39 3.0 +CLA HBA2 CBA CAA 110.32 3.0 +CLA C2A C1A CHA 125.78 3.0 +CLA C4C NC MG 127.77 3.0 +CLA O1D CGD CBD 127.77 3.0 +CLA HAC1 CAC CBC 109.41 3.0 +CLA H161 C16 C15 109.64 3.0 +CLA HED3 CED O2D 111.45 3.0 +CLA H192 C19 H191 108.55 3.0 +CLA HBB2 CBB CAB 122.98 3.0 +CLA C10 C8 C7 110.91 3.0 +CLA H13 C13 C12 107.72 3.0 +CLA CBD CHA C4D 106.43 3.0 +# +loop_ +_chem_comp_tor.comp_id +_chem_comp_tor.id +_chem_comp_tor.atom_id_1 +_chem_comp_tor.atom_id_2 +_chem_comp_tor.atom_id_3 +_chem_comp_tor.atom_id_4 +_chem_comp_tor.value_angle +_chem_comp_tor.value_angle_esd +_chem_comp_tor.period +CLA CONST_01 NB C4A NA CHB 0.00 0.0 0 +CLA CONST_02 C1B NB C4A NA 180.00 0.0 0 +CLA CONST_03 CHB MG C1B NB 180.00 0.0 0 +CLA CONST_04 NA CHB MG C1B 180.00 0.0 0 +CLA CONST_05 ND C1A NA CHA 0.00 0.0 0 +CLA CONST_06 C4D ND C1A NA 180.00 0.0 0 +CLA CONST_07 CHA MG C4D ND 180.00 0.0 0 +CLA CONST_08 NA CHA MG C4D 180.00 0.0 0 +CLA CONST_09 NC C4B NB CHC 0.00 0.0 0 +CLA CONST_10 C1C NC C4B NB 180.00 0.0 0 +CLA CONST_11 CHC MG C1C NC 180.00 0.0 0 +CLA CONST_12 NB CHC MG C1C 180.00 0.0 0 +CLA CONST_13 ND C4C NC CHD 0.00 0.0 0 +CLA CONST_14 C1D ND C4C NC 180.00 0.0 0 +CLA CONST_15 CHD MG C1D ND 180.00 0.0 0 +CLA CONST_16 NC CHD MG C1D 180.00 0.0 0 +CLA CONST_17 C3B C2B C1B NB 0.00 0.0 0 +CLA CONST_18 C4B C3B C2B C1B 0.00 0.0 0 +CLA CONST_19 NB C4B C3B C2B 0.00 0.0 0 +CLA CONST_20 C1B NB C4B C3B 0.00 0.0 0 +CLA CONST_21 C2B C1B NB C4B 0.00 0.0 0 +CLA CONST_22 C3C C2C C1C NC 0.00 0.0 0 +CLA CONST_23 C4C C3C C2C C1C 0.00 0.0 0 +CLA CONST_24 NC C4C C3C C2C 0.00 0.0 0 +CLA CONST_25 C1C NC C4C C3C 0.00 0.0 0 +CLA CONST_26 C2C C1C NC C4C 0.00 0.0 0 +CLA CONST_27 C3D C2D C1D ND 0.00 0.0 0 +CLA CONST_28 C4D C3D C2D C1D 0.00 0.0 0 +CLA CONST_29 ND C4D C3D C2D 0.00 0.0 0 +CLA CONST_30 C1D ND C4D C3D 0.00 0.0 0 +CLA CONST_31 C2D C1D ND C4D 0.00 0.0 0 +CLA CONST_32 CMB C2B C1B CHB 0.00 0.0 0 +CLA CONST_33 CAB C3B C4B CHC 0.00 0.0 0 +CLA CONST_34 CMC C2C C1C CHC 0.00 0.0 0 +CLA CONST_35 CAC C3C C4C CHD 0.00 0.0 0 +CLA CONST_36 CMD C2D C1D CHD 0.00 0.0 0 +CLA CONST_37 CMB C2B C1B NB 180.00 0.0 0 +CLA CONST_38 CAB C3B C4B NB 180.00 0.0 0 +CLA CONST_39 CAB C3B C2B C1B 180.00 0.0 0 +CLA CONST_40 CMB C2B C3B C4B 180.00 0.0 0 +CLA CONST_41 CMC C2C C1C NC 180.00 0.0 0 +CLA CONST_42 CAC C3C C4C NC 180.00 0.0 0 +CLA CONST_43 CAC C3C C2C C1C 180.00 0.0 0 +CLA CONST_44 CMC C2C C3C C4C 180.00 0.0 0 +CLA CONST_45 CMD C2D C1D ND 180.00 0.0 0 +CLA CONST_46 CMD C2D C3D C4D 180.00 0.0 0 +CLA CONST_47 CAD C3D C2D CMD 0.00 0.0 0 +CLA CONST_48 CHA C1A NA MG 0.00 0.0 0 +CLA CONST_49 CHB C4A NA MG 0.00 0.0 0 +CLA CONST_50 C1B NB MG NA 0.00 0.0 0 +CLA CONST_52 C1D ND MG NA 180.00 0.0 0 +CLA CONST_53 C4D CHA C1A NA 0.00 0.0 0 +CLA CONST_54 C1B CHB C4A NA 0.00 0.0 0 +CLA CONST_55 ND C4D CHA C1A 0.00 0.0 0 +CLA CONST_56 NB MG NA C1A 180.00 0.0 0 +CLA CONST_57 NB C1B CHB C4A 0.00 0.0 0 +CLA CONST_58 CBD CAD C3D C2D 180.00 0.0 0 +CLA CONST_59 HHC CHC C4B NB 180.00 0.0 0 +CLA CONST_60 HHD CHD C4C NC 180.00 0.0 0 +CLA CONST_61 HBB1 CBB CAB C3B -180.00 0.0 0 +CLA CONST_62 C4 C3 C2 C1 0.00 0.0 0 +CLA Var_01 CBB CAB C3B C2B 180.00 30.0 2 +CLA Var_15 CBC CAC C3C C2C -76.84 30.0 2 +CLA Var_16 HMB1 CMB C2B C1B 55.79 30.0 2 +CLA Var_17 HMC1 CMC C2C C1C -179.32 30.0 2 +CLA Var_18 HMD1 CMD C2D C1D -172.22 30.0 2 +CLA Var_19 CGA CBA CAA C2A 179.20 30.0 3 +CLA Var_21 HBC1 CBC CAC C3C 175.75 30.0 3 +CLA Var_22 O1A CGA CBA CAA -53.14 30.0 3 +CLA Var_23 C2 C1 O2A CGA -175.61 30.0 3 +CLA Var_24 C3 C2 C1 O2A 179.22 30.0 3 +CLA Var_26 C6 C5 C3 C2 -122.12 30.0 3 +CLA Var_27 C7 C6 C5 C3 167.70 30.0 3 +CLA Var_28 C8 C7 C6 C5 168.64 30.0 3 +CLA Var_29 C12 C11 C10 C8 172.14 30.0 3 +CLA Var_30 C13 C12 C11 C10 178.11 30.0 3 +CLA Var_31 C17 C16 C15 C13 -171.06 30.0 3 +CLA Var_32 C18 C17 C16 C15 -168.05 30.0 3 +CLA Var_33 C19 C18 C17 C16 82.74 30.0 3 +CLA Var_34 HED1 CED O2D CGD -154.23 30.0 3 +CLA Var_35 H41 C4 C3 C2 -171.35 30.0 3 +CLA Var_36 H191 C19 C18 C17 -175.60 30.0 3 +CLA Var_37 H201 C20 C18 C17 -57.85 30.0 3 +# +loop_ +_chem_comp_plane_atom.comp_id +_chem_comp_plane_atom.plane_id +_chem_comp_plane_atom.atom_id +_chem_comp_plane_atom.dist_esd +CLA plan-1 MG 0.020 +CLA plan-1 NA 0.020 +CLA plan-1 NB 0.020 +CLA plan-1 NC 0.020 +CLA plan-1 ND 0.020 +CLA plan-2 CAB 0.020 +CLA plan-2 CBB 0.020 +CLA plan-2 C3B 0.020 +CLA plan-2 HAB 0.020 +CLA plan-2 HBB1 0.020 +CLA plan-2 HBB2 0.020 +CLA plan-3 CGD 0.020 +CLA plan-3 O1D 0.020 +CLA plan-3 O2D 0.020 +CLA plan-3 CBD 0.020 +CLA plan-4 CGA 0.020 +CLA plan-4 O1A 0.020 +CLA plan-4 O2A 0.020 +CLA plan-4 CBA 0.020 +CLA plan-5 C1 0.020 +CLA plan-5 C2 0.020 +CLA plan-5 C3 0.020 +CLA plan-5 C4 0.020 +CLA plan-5 C5 0.020 +CLA plan-5 H2 0.020 +CLA plan-6 OBD 0.020 +CLA plan-6 CAD 0.020 +CLA plan-6 CBD 0.020 +CLA plan-6 C3D 0.020 +CLA plan-7 CHA 0.020 +CLA plan-7 C4D 0.020 +CLA plan-7 C3D 0.020 +CLA plan-7 C1A 0.020 +CLA plan-7 CBD 0.020 +CLA plan-7 ND 0.020 +CLA plan-8 C3D 0.020 +CLA plan-8 C2D 0.020 +CLA plan-8 CMD 0.020 +CLA plan-8 C1D 0.020 +CLA plan-8 C4D 0.020 +CLA plan-8 CAD 0.020 +CLA plan-9 C1D 0.020 +CLA plan-9 CHD 0.020 +CLA plan-9 HHD 0.020 +CLA plan-9 C4C 0.020 +CLA plan-9 ND 0.020 +CLA plan-9 C2D 0.020 +CLA plan-a C4C 0.020 +CLA plan-a NC 0.020 +CLA plan-a CHD 0.020 +CLA plan-a C3C 0.020 +CLA plan-a MG 0.020 +CLA plan-a C1C 0.020 +CLA plan-b C3C 0.020 +CLA plan-b C2C 0.020 +CLA plan-b CAC 0.020 +CLA plan-b CMC 0.020 +CLA plan-b C1C 0.020 +CLA plan-b C4C 0.020 +CLA plan-c C1C 0.020 +CLA plan-c CHC 0.020 +CLA plan-c HHC 0.020 +CLA plan-c C4B 0.020 +CLA plan-c C2C 0.020 +CLA plan-c NC 0.020 +CLA plan-d C4B 0.020 +CLA plan-d C3B 0.020 +CLA plan-d C2B 0.020 +CLA plan-d CHC 0.020 +CLA plan-d CAB 0.020 +CLA plan-d NB 0.020 +CLA plan-e C2B 0.020 +CLA plan-e C1B 0.020 +CLA plan-e NB 0.020 +CLA plan-e CHB 0.020 +CLA plan-e C3B 0.020 +CLA plan-e CMB 0.020 +CLA plan-f CHB 0.020 +CLA plan-f C4A 0.020 +CLA plan-f HHB 0.020 +CLA plan-f C1B 0.020 +CLA plan-f NA 0.020 +CLA plan-f C3A 0.020 +CLA plan-g NA 0.020 +CLA plan-g C1A 0.020 +CLA plan-g C2A 0.020 +CLA plan-g CHA 0.020 +CLA plan-g C4A 0.020 +CLA plan-g MG 0.020 +# +loop_ +_chem_comp_chir.comp_id +_chem_comp_chir.id +_chem_comp_chir.atom_id_centre +_chem_comp_chir.atom_id_1 +_chem_comp_chir.atom_id_2 +_chem_comp_chir.atom_id_3 +_chem_comp_chir.volume_sign +CLA chir_01 C2A C1A C3A CAA positiv +CLA chir_02 C3A C2A C4A CMA negativ +CLA chir_03 CBD CHA CAD CGD positiv +CLA chir_04 C8 C7 C9 C10 positiv +CLA chir_05 C13 C12 C14 C15 positiv +# diff --git a/tracking/data/space_groups.json b/tracking/data/space_groups.json new file mode 100644 index 000000000..bd3019f01 --- /dev/null +++ b/tracking/data/space_groups.json @@ -0,0 +1 @@ +{"lookup": {"F m 2 m": 42, " P 2 -2a": 28, "P m 2 m": 25, " C 2x": 5, " C 2y": 5, "P m 2 a": 28, "P n n m": 58, " P 2 -2n": 34, "I 2 1 1": 5, " P 2bc 2 -1bc": 59, "P 21/c 1 1": 14, "P c m a": 55, " B -2 2": 38, " P -2bc -2c": 29, "-P 3* 2": 166, " I -4 -2c": 120, "I 41 c d": 110, "-P 4c 2c": 132, "P c m m": 51, "P n n b": 52, "B m 1 1": 8, " P 2 -2c": 27, " F -4 2 3": 216, " P 2 -2b": 28, "A 21 a m": 36, " P -2ab": 7, "C c c a": 68, " B -2a 2": 39, "P n n n": 48, "C c c m": 66, "-I 2c 2": 74, "B m m m": 65, "F 2 d d": 43, " R 3 2\"": 155, " P 2ac 2ac -1ac": 59, "B b a 2": 41, "-P 4a 2b": 125, " A 2y": 5, "B 2 1 1": 5, " P 4 -2c": 103, " I 4bw 2bw -1bw": 141, " P 6c -2": 185, "P n n 2": 34, "B b 2 b": 37, "B b a b": 68, " P 4 -2n": 104, "P -3": 147, "P -1": 2, " I -2c 2": 46, " P 6 -2": 183, "P -6": 174, "C c c 2": 37, "P -4": 81, " F 4d 2 3": 210, "-P 2x": 10, "-P 2y": 10, "-P 2b": 13, "-P 2c": 11, "C m 2 a": 39, "-P 2a": 13, " I 4 -2": 107, "-B 2a 2": 67, "I 41 m d": 109, "I 41 3 2": 214, "-P 2n": 14, "C m 2 m": 38, "B 2 m m": 38, "P 21 c a": 29, "P b n m": 62, " P 4 2 3 -1n": 222, " P 4w 2c": 91, "P b n b": 56, "P 21 c n": 33, "-C 2 2": 65, " I 4bd 2c 3": 214, "I c m m": 74, "P n m m": 59, "P n m n": 58, " P -2 -2bc": 31, "P 43 21 2": 96, " B -2b 2": 40, "P n m b": 53, "P m -3 n": 223, "-P 2 2b": 51, "-P 2 2c": 49, "-P 2yn": 14, "P 1 21/m 1": 11, "I -4": 82, "-P 2a 2ab": 57, "A 1 m 1": 8, "-P 2 2n": 58, "-P 2ya": 13, "-P 2yb": 11, "-P 2yc": 13, "R 3": 146, "P 21 m n": 31, "A c a a": 68, "A c a m": 64, " P -6c 2": 188, "P 21 m a": 26, "I 4/m m m": 139, "P 63/m m c": 194, "P 21 2 2": 17, "P c m b": 57, " C 2 -2": 35, " I -2 -2": 44, " P -2ab 2ab": 31, "-F 2uv 2vw 3": 203, "P 42/m n m": 136, "P n a m": 62, " P 4 2": 89, " P 62 2 (0 0 4)": 180, "-P 2n 2b": 52, "-I 2 2": 71, "C 1 m 1": 8, " P 4 2 3": 207, "P 1 a 1": 7, " P 2ac 2ab": 19, "-P 2a 2bc": 52, "I 41/a c d": 142, " P -2bc -2bc": 30, "P 1 21/c 1": 14, "-I 2b 2b": 72, "-I 2b 2c": 73, "P 2/b 1 1": 13, " P 4n -2n": 102, "R -3 c": 167, " B -2ab 2": 41, "I 2/m 1 1": 12, " B 2 2b": 20, "C m m m": 65, "-P 2bc": 14, "F 4 3 2": 209, "-P 2ab 2bc": 48, "P -6 2 m": 189, "I m m 2": 44, "-P 4c 2": 131, "-F 4a 2 3": 226, "P 43 3 2": 212, "B 2 c m": 39, "-P 3 2c": 163, " B -2xb": 9, "-I 4 2c": 140, "B 2 c b": 41, "P c 21 b": 29, " P 2 2 -1ac": 50, " P -6 2": 187, "F d -3 m": 227, " I -2b -2b": 45, "-B 2xb": 15, "P c 21 n": 33, "P 42/m m c": 131, " F -2d 2": 43, "I 4/m": 87, "P 1 1 2/n": 13, "P b 2 b": 27, "P 42 21 2": 94, "P 1 1 2/m": 10, "P 1 1 2/b": 13, "P b 2 n": 30, "P 1 1 2/a": 13, "B m m 2": 38, "-P 4ac 2b": 133, "-P 2b 2a": 57, "C c c b": 68, "-P 2b 2c": 54, "-P 2b 2b": 49, "-P 2b 2n": 52, "-P 2n 2ac": 62, "I c m a": 72, "P 32 2 1": 154, "P 65 2 2": 179, "-P 4ac 2a": 137, "P 42/m": 84, "P m c 21": 26, " I 2 -2": 44, "A 21 2 2": 20, "C m 1 1": 8, "P c 1 1": 7, " P -2 -2b": 26, " A 2 -2ab": 41, "C 1 2/m 1": 12, "-P 2c 2a": 59, "-P 4 2": 123, "-P 2ac 2ab 3": 205, "P -6 2 c": 190, "F 2 3": 196, "B m m b": 63, " P 2 2 -1bc": 50, " R 3 -2\"c": 161, "P 2 n n": 34, " I 2b 2c 3": 199, "-P 2ac 2ab": 61, "-P 2ac 2ac": 55, "P 2 n a": 30, "P 4 m m": 99, " C -2xc": 9, " F 2 2 -1d": 70, "F -4 3 m": 216, "A c 2 m": 39, " P 2 2 3 -1n": 201, " P 2 -2bc": 30, " P 2c -2ac": 29, " B -2": 8, "-B 2ab 2": 64, "I 1 1 2": 5, "C 2/c 1 1": 15, " I -2y": 8, "P b m b": 49, " P 4c 2": 93, "F 2 m m": 42, "-C 2c 2": 63, " P -2 -2": 25, "-A 2": 12, " P 4n -1n": 86, " P 65 2 (0 0 1)": 179, "-P 4a 2bc": 126, "-F 2 2": 69, "P 31 1 2": 151, "I m a m": 74, "-C 2a 2c": 68, "P b m 2": 28, "-P 2ac 2n": 62, "-P 2ac 2a": 57, "-P 2ac 2b": 60, "-P 2ac 2c": 54, " R 3": 146, " I 4 -2c": 108, "B 2/b 1 1": 15, " P 2 2b": 17, "-F 4vw 2vw 3": 227, " P -2a 2a": 26, " C 2c -2c": 36, " I 2b 2c": 24, "P 2 m b": 28, "I 1 1 m": 8, "I m 2 m": 44, "I m 2 a": 46, " P -2n -2ac": 33, "-P 4a 2a": 129, "I 1 1 b": 9, "P 2 m m": 25, "-P 2 2bc": 53, "I 1 1 a": 9, " A -2a 2": 37, "P b m a": 57, "B 2/n 1 1": 15, "-I 2 2 3": 204, " I -2yc": 9, "F 41 3 2": 210, " I -2ya": 9, "-P 4bc": 86, "-P 2ab 2ac": 56, "P b m m": 51, "P b m n": 53, "I m a 2": 46, "P c m 21": 26, " P -2 2": 25, "-C 2c 2c": 63, "-I 4ad": 88, "A 1 2/n 1": 15, "-R 3 2\"c": 167, "P 42 3 2": 208, "-B 2x": 12, " P -2ya": 7, " P -2yc": 7, "A 1 2 1": 5, "I 1 2/m 1": 12, " P -2b 2": 28, " F -4a 2 3": 219, "I 4 c m": 108, "I 41/a m d": 141, " P -2n 2a": 33, "-B 2b": 15, "P 41 21 2": 92, " I -4": 82, " P 4": 75, "I 4 2 2": 97, "P 2 21 2": 17, " P 1": 1, " P 2": 3, " P 3": 143, "P c m n": 62, "P 43 2 2": 95, "-C 2a 2a": 67, "I b a 2": 45, "C 2/m 1 1": 12, "-I 4 2 3": 229, "P 1 2/c 1": 13, "P 42/n b c": 133, "-A 2yab": 15, "P 3": 143, "-P 2c 2": 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"-z+1/2,x,-y+1/2", "y,-z+1/2,-x+1/2", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y+1/2,z", "y,x,-z+1/2", "-y+1/2,-x+1/2,-z+1/2", "z,-y+1/2,x", "-z+1/2,-y+1/2,-x+1/2", "-x+1/2,z,y", "-x+1/2,-z+1/2,-y+1/2"], "number": 222}, {"symbol": "P m -3 n", "operators": ["x,y,z", "x+1/2,-z+1/2,y+1/2", "x+1/2,z+1/2,-y+1/2", "z+1/2,y+1/2,-x+1/2", "-z+1/2,y+1/2,x+1/2", "-y+1/2,x+1/2,z+1/2", "y+1/2,-x+1/2,z+1/2", "z,x,y", "y,z,x", "-y,-z,x", "z,-x,-y", "-y,z,-x", "-z,-x,y", "-z,x,-y", "y,-z,-x", "x,-y,-z", "-x,y,-z", "-x,-y,z", "y+1/2,x+1/2,-z+1/2", "-y+1/2,-x+1/2,-z+1/2", "z+1/2,-y+1/2,x+1/2", "-z+1/2,-y+1/2,-x+1/2", "-x+1/2,z+1/2,y+1/2", "-x+1/2,-z+1/2,-y+1/2"], "number": 223}, {"symbol": "P n -3 m :2", "operators": ["x,y,z", "x+1/2,-z,y+1/2", "x+1/2,z+1/2,-y", "z+1/2,y+1/2,-x", "-z,y+1/2,x+1/2", "-y,x+1/2,z+1/2", "y+1/2,-x,z+1/2", "z,x,y", "y,z,x", "-y+1/2,-z+1/2,x", "z,-x+1/2,-y+1/2", "-y+1/2,z,-x+1/2", "-z+1/2,-x+1/2,y", "-z+1/2,x,-y+1/2", "y,-z+1/2,-x+1/2", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y+1/2,z", "y+1/2,x+1/2,-z", "-y,-x,-z", "z+1/2,-y,x+1/2", "-z,-y,-x", "-x,z+1/2,y+1/2", "-x,-z,-y"], "number": 224}, {"symbol": "F m -3 m", "operators": ["x,y,z", "x,-z,y", "x,z,-y", "z,y,-x", "-z,y,x", "-y,x,z", "y,-x,z", "z,x,y", "y,z,x", "-y,-z,x", "z,-x,-y", "-y,z,-x", "-z,-x,y", "-z,x,-y", "y,-z,-x", "x,-y,-z", "-x,y,-z", "-x,-y,z", "y,x,-z", "-y,-x,-z", "z,-y,x", "-z,-y,-x", "-x,z,y", "-x,-z,-y"], "number": 225}, {"symbol": "F m -3 c", "operators": ["x,y,z", "x+1/2,-z,y", "x+1/2,z,-y", "z+1/2,y,-x", "-z+1/2,y,x", "-y+1/2,x,z", "y+1/2,-x,z", "z,x,y", "y,z,x", "-y,-z,x", "z,-x,-y", "-y,z,-x", "-z,-x,y", "-z,x,-y", "y,-z,-x", "x,-y,-z", "-x,y,-z", "-x,-y,z", "y+1/2,x,-z", "-y+1/2,-x,-z", "z+1/2,-y,x", "-z+1/2,-y,-x", "-x+1/2,z,y", "-x+1/2,-z,-y"], "number": 226}, {"symbol": "F d -3 m :2", "operators": ["x,y,z", "x+1/4,-z,y+1/4", "x+1/4,z+1/4,-y", "z+1/4,y+1/4,-x", "-z,y+1/4,x+1/4", "-y,x+1/4,z+1/4", "y+1/4,-x,z+1/4", "z,x,y", "y,z,x", "-y+1/4,-z+1/4,x", "z,-x+1/4,-y+1/4", "-y+1/4,z,-x+1/4", "-z+1/4,-x+1/4,y", "-z+1/4,x,-y+1/4", "y,-z+1/4,-x+1/4", "x,-y+1/4,-z+1/4", "-x+1/4,y,-z+1/4", "-x+1/4,-y+1/4,z", "y+1/4,x+1/4,-z", "-y,-x,-z", "z+1/4,-y,x+1/4", "-z,-y,-x", "-x,z+1/4,y+1/4", "-x,-z,-y"], "number": 227}, {"symbol": "F d -3 c :2", "operators": ["x,y,z", "x+1/4,-z,y+3/4", "x+1/4,z+3/4,-y", "z+1/4,y+3/4,-x", "-z,y+1/4,x+3/4", "-y,x+1/4,z+3/4", "y+1/4,-x,z+3/4", "z,x,y", "y,z,x", "-y+1/4,-z+1/4,x", "z,-x+1/4,-y+1/4", "-y+1/4,z,-x+1/4", "-z+1/4,-x+1/4,y", "-z+1/4,x,-y+1/4", "y,-z+1/4,-x+1/4", "x,-y+1/4,-z+1/4", "-x+1/4,y,-z+1/4", "-x+1/4,-y+1/4,z", "y+1/4,x+3/4,-z", "-y+1/2,-x,-z", "z+1/4,-y,x+3/4", "-z+1/2,-y,-x", "-x,z+1/4,y+3/4", "-x+1/2,-z,-y"], "number": 228}, {"symbol": "I m -3 m", "operators": ["x,y,z", "x,-z,y", "x,z,-y", "z,y,-x", "-z,y,x", "-y,x,z", "y,-x,z", "z,x,y", "y,z,x", "-y,-z,x", "z,-x,-y", "-y,z,-x", "-z,-x,y", "-z,x,-y", "y,-z,-x", "x,-y,-z", "-x,y,-z", "-x,-y,z", "y,x,-z", "-y,-x,-z", "z,-y,x", "-z,-y,-x", "-x,z,y", "-x,-z,-y"], "number": 229}, {"symbol": "I a -3 d", "operators": ["x,y,z", "x+1/4,-z+1/4,y+3/4", "x+1/4,z+3/4,-y+3/4", "z+1/4,y+3/4,-x+3/4", "-z+1/4,y+3/4,x+1/4", "-y+1/4,x+3/4,z+1/4", "y+1/4,-x+1/4,z+3/4", "z,x,y", "y,z,x", "-y,-z+1/2,x", "z,-x,-y+1/2", "-y+1/2,z,-x", "-z,-x+1/2,y", "-z+1/2,x,-y", "y,-z,-x+1/2", "x,-y,-z+1/2", "-x+1/2,y,-z", "-x,-y+1/2,z", "y+1/4,x+3/4,-z+3/4", "-y+1/4,-x+1/4,-z+1/4", "z+1/4,-y+1/4,x+3/4", "-z+1/4,-y+1/4,-x+1/4", "-x+1/4,z+3/4,y+1/4", "-x+1/4,-z+1/4,-y+1/4"], "number": 230}]} diff --git a/tracking/data/testcombined.cif b/tracking/data/testcombined.cif new file mode 100644 index 000000000..e0837c0ed --- /dev/null +++ b/tracking/data/testcombined.cif @@ -0,0 +1,1262 @@ +data_1YJP +# +_entry.id 1YJP +# +_audit.revision_id 1 +_audit.creation_date 2005-01-14 +_audit.update_record 'initial release' +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 4.007 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +PDB 1YJP +RCSB RCSB031590 +# +loop_ +_database_PDB_rev.num +_database_PDB_rev.date +_database_PDB_rev.date_original +_database_PDB_rev.mod_type +_database_PDB_rev.replaces +_database_PDB_rev.status +1 2005-06-14 2005-01-15 0 1YJP ? +2 2009-02-24 ? 1 1YJP ? +# +_database_PDB_rev_record.rev_num 2 +_database_PDB_rev_record.type VERSN +_database_PDB_rev_record.details ? +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 1YJO +_pdbx_database_related.details . +_pdbx_database_related.content_type unspecified +# +_pdbx_database_status.entry_id 1YJP +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Nelson, R.' 1 +'Sawaya, M.R.' 2 +'Balbirnie, M.' 3 +'Madsen, A.O.' 4 +'Riekel, C.' 5 +'Grothe, R.' 6 +'Eisenberg, D.' 7 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Structure of the cross-beta spine of amyloid-like fibrils.' Nature 435 773 778 2005 +NATUAS UK 0028-0836 0006 ? 15944695 10.1038/nature03680 +1 'Refinement of Macromolecular Structures by the Maximum-Likelihood Method' 'Acta Crystallogr.,Sect.D' 53 240 255 1997 +ABCRE6 DK 0907-4449 0766 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Nelson, R.' 1 +primary 'Sawaya, M.R.' 2 +primary 'Balbirnie, M.' 3 +primary 'Madsen, A.O.' 4 +primary 'Riekel, C.' 5 +primary 'Grothe, R.' 6 +primary 'Eisenberg, D.' 7 +1 'Murshudov, G.N.' 8 +1 'Vagin, A.A.' 9 +1 'Dodson, E.J.' 10 +# +_cell.entry_id 1YJP +_cell.length_a 21.937 +_cell.length_b 4.866 +_cell.length_c 23.477 +_cell.angle_alpha 90.00 +_cell.angle_beta 107.08 +_cell.angle_gamma 90.00 +_cell.Z_PDB 2 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1YJP +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number ? +_symmetry.space_group_name_Hall ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.details +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +1 polymer syn 'Eukaryotic peptide chain release factor GTP-binding subunit' 836.814 1 ? ? 'prion determining domain of Sup35' ? +2 water nat water 18.015 7 ? ? ? ? +# +loop_ +_entity_keywords.entity_id +_entity_keywords.text +1 ? +2 ? +# +loop_ +_entity_name_com.entity_id +_entity_name_com.name +1 'ERF2, Translation release factor 3, ERF3, ERF-3, Omnipotent suppressor protein 2, G1 to S phase transition protein 1' +2 ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code GNNQQNY +_entity_poly.pdbx_seq_one_letter_code_can GNNQQNY +_entity_poly.pdbx_strand_id A +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLY n +1 2 ASN n +1 3 ASN n +1 4 GLN n +1 5 GLN n +1 6 ASN n +1 7 TYR n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'This sequence is from the prion determining domain of Saccharomyces cerevisiae Sup35' +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code ERF2_YEAST +_struct_ref.pdbx_db_accession P05453 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code GNNQQNY +_struct_ref.pdbx_align_begin 7 +_struct_ref.biol_id . +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1YJP +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 7 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P05453 +_struct_ref_seq.db_align_beg 7 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 13 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 7 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +GLY 'PEPTIDE LINKING' y GLYCINE ? 'C2 H5 N O2' 75.067 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 +HOH NON-POLYMER . WATER ? 'H2 O' 18.015 +# +_exptl.method 'X-RAY DIFFRACTION' +_exptl.entry_id 1YJP +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_percent_sol 14.03 +_exptl_crystal.density_Matthews 1.43 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.pH 7 +_exptl_crystal_grow.temp 298 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pdbx_details 'water, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type MARRESEARCH +_diffrn_detector.pdbx_collection_date 2004-06-12 +_diffrn_detector.details 'Ellipsoidal Mirror' +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.monochromator 'channel-cut Si-111 monochromator' +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.975 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'ESRF BEAMLINE ID13' +_diffrn_source.pdbx_wavelength 0.975 +_diffrn_source.pdbx_wavelength_list 0.975 +_diffrn_source.pdbx_synchrotron_site ESRF +_diffrn_source.pdbx_synchrotron_beamline ID13 +# +_reflns.d_resolution_low 80.00 +_reflns.d_resolution_high 1.80 +_reflns.number_obs 509 +_reflns.percent_possible_obs 89.5 +_reflns.pdbx_Rmerge_I_obs 0.204 +_reflns.pdbx_chi_squared 1.057 +_reflns.entry_id 1YJP +_reflns.observed_criterion_sigma_F 0 +_reflns.observed_criterion_sigma_I 0 +_reflns.number_all 509 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 3.75 +_reflns.B_iso_Wilson_estimate 45.6 +_reflns.pdbx_redundancy 2.0 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_ordinal 1 +_reflns.pdbx_diffrn_id 1 +# +_reflns_shell.d_res_low 1.94 +_reflns_shell.d_res_high 1.80 +_reflns_shell.number_unique_all 85 +_reflns_shell.percent_possible_all 84.2 +_reflns_shell.Rmerge_I_obs 0.491 +_reflns_shell.pdbx_redundancy ? +_reflns_shell.pdbx_chi_squared 1.092 +_reflns_shell.number_unique_obs ? +_reflns_shell.meanI_over_sigI_obs 1.5 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +# +_computing.entry_id 1YJP +_computing.pdbx_data_reduction_ii DENZO +_computing.pdbx_data_reduction_ds SCALEPACK +_computing.data_collection ? +_computing.structure_solution ? +_computing.structure_refinement 'REFMAC 5' +_computing.pdbx_structure_refinement_method ? +# +_refine.entry_id 1YJP +_refine.ls_d_res_high 1.80 +_refine.ls_d_res_low 22.44 +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_ls_sigma_I 0 +_refine.ls_number_reflns_all 474 +_refine.ls_number_reflns_obs 474 +_refine.ls_number_reflns_R_free 20 +_refine.ls_percent_reflns_obs ? +_refine.ls_R_factor_all 0.18139 +_refine.ls_R_factor_obs 0.18139 +_refine.ls_R_factor_R_work 0.18086 +_refine.ls_R_factor_R_free 0.19014 +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_method_to_determine_struct 'FOURIER SYNTHESIS' +_refine.pdbx_starting_model ? +_refine.pdbx_ls_cross_valid_method throughout +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.pdbx_isotropic_thermal_model ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.details ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 59 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 7 +_refine_hist.number_atoms_total 66 +_refine_hist.d_res_high 1.80 +_refine_hist.d_res_low 22.44 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.weight +_refine_ls_restr.pdbx_refine_id +r_angle_refined_deg 1.228 ? ? ? 'X-RAY DIFFRACTION' +r_bond_refined_d 0.014 ? ? ? 'X-RAY DIFFRACTION' +# +_struct.entry_id 1YJP +_struct.title 'Structure of GNNQQNY from yeast prion Sup35' +_struct.pdbx_descriptor PROTEIN +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1YJP +_struct_keywords.pdbx_keywords 'PROTEIN BINDING' +_struct_keywords.text 'beta sheet, steric zipper, glutamine zipper, asparagine zipper, PROTEIN BINDING' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +# +_struct_biol.id 1 +# +_atom_sites.entry_id 1YJP +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 0.045585 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.014006 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.205508 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.044560 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +N +C +O +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x_esd +_atom_site.Cartn_y_esd +_atom_site.Cartn_z_esd +_atom_site.occupancy_esd +_atom_site.B_iso_or_equiv_esd +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? ? ? ? ? ? 1 GLY A N 1 +ATOM 2 C CA . GLY A 1 1 ? -9.052 4.207 4.651 1.00 16.57 ? ? ? ? ? ? 1 GLY A CA 1 +ATOM 3 C C . GLY A 1 1 ? -8.015 3.140 4.419 1.00 16.16 ? ? ? ? ? ? 1 GLY A C 1 +ATOM 4 O O . GLY A 1 1 ? -7.523 2.521 5.381 1.00 16.78 ? ? ? ? ? ? 1 GLY A O 1 +ATOM 5 N N . ASN A 1 2 ? -7.656 2.923 3.155 1.00 15.02 ? ? ? ? ? ? 2 ASN A N 1 +ATOM 6 C CA . ASN A 1 2 ? -6.522 2.038 2.831 1.00 14.10 ? ? ? ? ? ? 2 ASN A CA 1 +ATOM 7 C C . ASN A 1 2 ? -5.241 2.537 3.427 1.00 13.13 ? ? ? ? ? ? 2 ASN A C 1 +ATOM 8 O O . ASN A 1 2 ? -4.978 3.742 3.426 1.00 11.91 ? ? ? ? ? ? 2 ASN A O 1 +ATOM 9 C CB . ASN A 1 2 ? -6.346 1.881 1.341 1.00 15.38 ? ? ? ? ? ? 2 ASN A CB 1 +ATOM 10 C CG . ASN A 1 2 ? -7.584 1.342 0.692 1.00 14.08 ? ? ? ? ? ? 2 ASN A CG 1 +ATOM 11 O OD1 . ASN A 1 2 ? -8.025 0.227 1.016 1.00 17.46 ? ? ? ? ? ? 2 ASN A OD1 1 +ATOM 12 N ND2 . ASN A 1 2 ? -8.204 2.155 -0.169 1.00 11.72 ? ? ? ? ? ? 2 ASN A ND2 1 +ATOM 13 N N . ASN A 1 3 ? -4.438 1.590 3.905 1.00 12.26 ? ? ? ? ? ? 3 ASN A N 1 +ATOM 14 C CA . ASN A 1 3 ? -3.193 1.904 4.589 1.00 11.74 ? ? ? ? ? ? 3 ASN A CA 1 +ATOM 15 C C . ASN A 1 3 ? -1.955 1.332 3.895 1.00 11.10 ? ? ? ? ? ? 3 ASN A C 1 +ATOM 16 O O . ASN A 1 3 ? -1.872 0.119 3.648 1.00 10.42 ? ? ? ? ? ? 3 ASN A O 1 +ATOM 17 C CB . ASN A 1 3 ? -3.259 1.378 6.042 1.00 12.15 ? ? ? ? ? ? 3 ASN A CB 1 +ATOM 18 C CG . ASN A 1 3 ? -2.006 1.739 6.861 1.00 12.82 ? ? ? ? ? ? 3 ASN A CG 1 +ATOM 19 O OD1 . ASN A 1 3 ? -1.702 2.925 7.072 1.00 15.05 ? ? ? ? ? ? 3 ASN A OD1 1 +ATOM 20 N ND2 . ASN A 1 3 ? -1.271 0.715 7.306 1.00 13.48 ? ? ? ? ? ? 3 ASN A ND2 1 +ATOM 21 N N . GLN A 1 4 ? -1.005 2.228 3.598 1.00 10.29 ? ? ? ? ? ? 4 GLN A N 1 +ATOM 22 C CA . GLN A 1 4 ? 0.384 1.888 3.199 1.00 10.53 ? ? ? ? ? ? 4 GLN A CA 1 +ATOM 23 C C . GLN A 1 4 ? 1.435 2.606 4.088 1.00 10.24 ? ? ? ? ? ? 4 GLN A C 1 +ATOM 24 O O . GLN A 1 4 ? 1.547 3.843 4.115 1.00 8.86 ? ? ? ? ? ? 4 GLN A O 1 +ATOM 25 C CB . GLN A 1 4 ? 0.656 2.148 1.711 1.00 9.80 ? ? ? ? ? ? 4 GLN A CB 1 +ATOM 26 C CG . GLN A 1 4 ? 1.944 1.458 1.213 1.00 10.25 ? ? ? ? ? ? 4 GLN A CG 1 +ATOM 27 C CD . GLN A 1 4 ? 2.504 2.044 -0.089 1.00 12.43 ? ? ? ? ? ? 4 GLN A CD 1 +ATOM 28 O OE1 . GLN A 1 4 ? 2.744 3.268 -0.190 1.00 14.62 ? ? ? ? ? ? 4 GLN A OE1 1 +ATOM 29 N NE2 . GLN A 1 4 ? 2.750 1.161 -1.091 1.00 9.05 ? ? ? ? ? ? 4 GLN A NE2 1 +ATOM 30 N N . GLN A 1 5 ? 2.154 1.821 4.871 1.00 10.38 ? ? ? ? ? ? 5 GLN A N 1 +ATOM 31 C CA . GLN A 1 5 ? 3.270 2.361 5.640 1.00 11.39 ? ? ? ? ? ? 5 GLN A CA 1 +ATOM 32 C C . GLN A 1 5 ? 4.594 1.768 5.172 1.00 11.52 ? ? ? ? ? ? 5 GLN A C 1 +ATOM 33 O O . GLN A 1 5 ? 4.768 0.546 5.054 1.00 12.05 ? ? ? ? ? ? 5 GLN A O 1 +ATOM 34 C CB . GLN A 1 5 ? 3.056 2.183 7.147 1.00 11.96 ? ? ? ? ? ? 5 GLN A CB 1 +ATOM 35 C CG . GLN A 1 5 ? 1.829 2.950 7.647 1.00 10.81 ? ? ? ? ? ? 5 GLN A CG 1 +ATOM 36 C CD . GLN A 1 5 ? 1.344 2.414 8.954 1.00 13.10 ? ? ? ? ? ? 5 GLN A CD 1 +ATOM 37 O OE1 . GLN A 1 5 ? 0.774 1.325 9.002 1.00 10.65 ? ? ? ? ? ? 5 GLN A OE1 1 +ATOM 38 N NE2 . GLN A 1 5 ? 1.549 3.187 10.039 1.00 12.30 ? ? ? ? ? ? 5 GLN A NE2 1 +ATOM 39 N N . ASN A 1 6 ? 5.514 2.664 4.856 1.00 11.99 ? ? ? ? ? ? 6 ASN A N 1 +ATOM 40 C CA . ASN A 1 6 ? 6.831 2.310 4.318 1.00 12.30 ? ? ? ? ? ? 6 ASN A CA 1 +ATOM 41 C C . ASN A 1 6 ? 7.854 2.761 5.324 1.00 13.40 ? ? ? ? ? ? 6 ASN A C 1 +ATOM 42 O O . ASN A 1 6 ? 8.219 3.943 5.374 1.00 13.92 ? ? ? ? ? ? 6 ASN A O 1 +ATOM 43 C CB . ASN A 1 6 ? 7.065 3.016 2.993 1.00 12.13 ? ? ? ? ? ? 6 ASN A CB 1 +ATOM 44 C CG . ASN A 1 6 ? 5.961 2.735 2.003 1.00 12.77 ? ? ? ? ? ? 6 ASN A CG 1 +ATOM 45 O OD1 . ASN A 1 6 ? 5.798 1.604 1.551 1.00 14.27 ? ? ? ? ? ? 6 ASN A OD1 1 +ATOM 46 N ND2 . ASN A 1 6 ? 5.195 3.747 1.679 1.00 10.07 ? ? ? ? ? ? 6 ASN A ND2 1 +ATOM 47 N N . TYR A 1 7 ? 8.292 1.817 6.147 1.00 14.70 ? ? ? ? ? ? 7 TYR A N 1 +ATOM 48 C CA . TYR A 1 7 ? 9.159 2.144 7.299 1.00 15.18 ? ? ? ? ? ? 7 TYR A CA 1 +ATOM 49 C C . TYR A 1 7 ? 10.603 2.331 6.885 1.00 15.91 ? ? ? ? ? ? 7 TYR A C 1 +ATOM 50 O O . TYR A 1 7 ? 11.041 1.811 5.855 1.00 15.76 ? ? ? ? ? ? 7 TYR A O 1 +ATOM 51 C CB . TYR A 1 7 ? 9.061 1.065 8.369 1.00 15.35 ? ? ? ? ? ? 7 TYR A CB 1 +ATOM 52 C CG . TYR A 1 7 ? 7.665 0.929 8.902 1.00 14.45 ? ? ? ? ? ? 7 TYR A CG 1 +ATOM 53 C CD1 . TYR A 1 7 ? 6.771 0.021 8.327 1.00 15.68 ? ? ? ? ? ? 7 TYR A CD1 1 +ATOM 54 C CD2 . TYR A 1 7 ? 7.210 1.756 9.920 1.00 14.80 ? ? ? ? ? ? 7 TYR A CD2 1 +ATOM 55 C CE1 . TYR A 1 7 ? 5.480 -0.094 8.796 1.00 13.46 ? ? ? ? ? ? 7 TYR A CE1 1 +ATOM 56 C CE2 . TYR A 1 7 ? 5.904 1.649 10.416 1.00 14.33 ? ? ? ? ? ? 7 TYR A CE2 1 +ATOM 57 C CZ . TYR A 1 7 ? 5.047 0.729 9.831 1.00 15.09 ? ? ? ? ? ? 7 TYR A CZ 1 +ATOM 58 O OH . TYR A 1 7 ? 3.766 0.589 10.291 1.00 14.39 ? ? ? ? ? ? 7 TYR A OH 1 +ATOM 59 O OXT . TYR A 1 7 ? 11.358 2.999 7.612 1.00 17.49 ? ? ? ? ? ? 7 TYR A OXT 1 +HETATM 60 O O . HOH B 2 . ? -6.471 5.227 7.124 1.00 22.62 ? ? ? ? ? ? 8 HOH A O 1 +HETATM 61 O O . HOH B 2 . ? 10.431 1.858 3.216 1.00 19.71 ? ? ? ? ? ? 9 HOH A O 1 +HETATM 62 O O . HOH B 2 . ? -11.286 1.756 -1.468 1.00 17.08 ? ? ? ? ? ? 10 HOH A O 1 +HETATM 63 O O . HOH B 2 . ? 11.808 4.179 9.970 1.00 23.99 ? ? ? ? ? ? 11 HOH A O 1 +HETATM 64 O O . HOH B 2 . ? 13.605 1.327 9.198 1.00 26.17 ? ? ? ? ? ? 12 HOH A O 1 +HETATM 65 O O . HOH B 2 . ? -2.749 3.429 10.024 1.00 39.15 ? ? ? ? ? ? 13 HOH A O 1 +HETATM 66 O O . HOH B 2 . ? -1.500 0.682 10.967 1.00 43.49 ? ? ? ? ? ? 14 HOH A O 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 1 1 GLY GLY A . n +A 1 2 ASN 2 2 2 ASN ASN A . n +A 1 3 ASN 3 3 3 ASN ASN A . n +A 1 4 GLN 4 4 4 GLN GLN A . n +A 1 5 GLN 5 5 5 GLN GLN A . n +A 1 6 ASN 6 6 6 ASN ASN A . n +A 1 7 TYR 7 7 7 TYR TYR A . n +# +_pdbx_database_remark.id 300 +_pdbx_database_remark.text +;BIOMOLECULE: 1 +THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT +WHICH CONSISTS OF 1 CHAIN(S). The second beta strand of +the beta sandwich is generated as described in remark 350. +Beta sheets are generated from unit cell translations +along the unit cell b dimension: x,y+1,z. +; +# +_pdbx_prerelease_seq.entity_id 1 +_pdbx_prerelease_seq.seq_one_letter_code GNNQQNY +# +_software.name 'REFMAC5 (CCP4: Supported Program)' +_software.version ? +_software.date ? +_software.type program +_software.contact_author 'Murshudov, G.N.' +_software.contact_author_email ccp4@dl.ac.uk +_software.classification refinement +_software.location http://www.ccp4.ac.uk/main.html +_software.language fortran +_software.citation_id ? +_software.pdbx_ordinal 1 +# +loop_ +_pdbx_version.entry_id +_pdbx_version.revision_date +_pdbx_version.major_version +_pdbx_version.minor_version +_pdbx_version.revision_type +_pdbx_version.details +1YJP 2008-04-30 3 2 'Version format compliance' 'compliance with PDB format V.3.15' +1YJP 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2 +_pdbx_struct_assembly_gen.asym_id_list A,B +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +2 'crystal symmetry operation' 2_555 -x,y+1/2,-z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 2.4330000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 HOH 1 8 8 HOH HOH A . +B 2 HOH 2 9 9 HOH HOH A . +B 2 HOH 3 10 10 HOH HOH A . +B 2 HOH 4 11 11 HOH HOH A . +B 2 HOH 5 12 12 HOH HOH A . +B 2 HOH 6 13 13 HOH HOH A . +B 2 HOH 7 14 14 HOH HOH A . +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.name water +_pdbx_entity_nonpoly.comp_id HOH +# +data_1YJP_copy +# +_entry.id 1YJP +# +_audit.revision_id 1 +_audit.creation_date 2005-01-14 +_audit.update_record 'initial release' +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 4.007 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +PDB 1YJP +RCSB RCSB031590 +# +loop_ +_database_PDB_rev.num +_database_PDB_rev.date +_database_PDB_rev.date_original +_database_PDB_rev.mod_type +_database_PDB_rev.replaces +_database_PDB_rev.status +1 2005-06-14 2005-01-15 0 1YJP ? +2 2009-02-24 ? 1 1YJP ? +# +_database_PDB_rev_record.rev_num 2 +_database_PDB_rev_record.type VERSN +_database_PDB_rev_record.details ? +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 1YJO +_pdbx_database_related.details . +_pdbx_database_related.content_type unspecified +# +_pdbx_database_status.entry_id 1YJP +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Nelson, R.' 1 +'Sawaya, M.R.' 2 +'Balbirnie, M.' 3 +'Madsen, A.O.' 4 +'Riekel, C.' 5 +'Grothe, R.' 6 +'Eisenberg, D.' 7 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Structure of the cross-beta spine of amyloid-like fibrils.' Nature 435 773 778 2005 +NATUAS UK 0028-0836 0006 ? 15944695 10.1038/nature03680 +1 'Refinement of Macromolecular Structures by the Maximum-Likelihood Method' 'Acta Crystallogr.,Sect.D' 53 240 255 1997 +ABCRE6 DK 0907-4449 0766 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Nelson, R.' 1 +primary 'Sawaya, M.R.' 2 +primary 'Balbirnie, M.' 3 +primary 'Madsen, A.O.' 4 +primary 'Riekel, C.' 5 +primary 'Grothe, R.' 6 +primary 'Eisenberg, D.' 7 +1 'Murshudov, G.N.' 8 +1 'Vagin, A.A.' 9 +1 'Dodson, E.J.' 10 +# +_cell.entry_id 1YJP +_cell.length_a 21.937 +_cell.length_b 4.866 +_cell.length_c 23.477 +_cell.angle_alpha 90.00 +_cell.angle_beta 107.08 +_cell.angle_gamma 90.00 +_cell.Z_PDB 2 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1YJP +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number ? +_symmetry.space_group_name_Hall ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.details +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +1 polymer syn 'Eukaryotic peptide chain release factor GTP-binding subunit' 836.814 1 ? ? 'prion determining domain of Sup35' ? +2 water nat water 18.015 7 ? ? ? ? +# +loop_ +_entity_keywords.entity_id +_entity_keywords.text +1 ? +2 ? +# +loop_ +_entity_name_com.entity_id +_entity_name_com.name +1 'ERF2, Translation release factor 3, ERF3, ERF-3, Omnipotent suppressor protein 2, G1 to S phase transition protein 1' +2 ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code GNNQQNY +_entity_poly.pdbx_seq_one_letter_code_can GNNQQNY +_entity_poly.pdbx_strand_id A +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLY n +1 2 ASN n +1 3 ASN n +1 4 GLN n +1 5 GLN n +1 6 ASN n +1 7 TYR n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'This sequence is from the prion determining domain of Saccharomyces cerevisiae Sup35' +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code ERF2_YEAST +_struct_ref.pdbx_db_accession P05453 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code GNNQQNY +_struct_ref.pdbx_align_begin 7 +_struct_ref.biol_id . +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1YJP +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 7 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P05453 +_struct_ref_seq.db_align_beg 7 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 13 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 7 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +GLY 'PEPTIDE LINKING' y GLYCINE ? 'C2 H5 N O2' 75.067 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 +HOH NON-POLYMER . WATER ? 'H2 O' 18.015 +# +_exptl.method 'X-RAY DIFFRACTION' +_exptl.entry_id 1YJP +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_percent_sol 14.03 +_exptl_crystal.density_Matthews 1.43 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.pH 7 +_exptl_crystal_grow.temp 298 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pdbx_details 'water, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type MARRESEARCH +_diffrn_detector.pdbx_collection_date 2004-06-12 +_diffrn_detector.details 'Ellipsoidal Mirror' +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.monochromator 'channel-cut Si-111 monochromator' +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.975 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'ESRF BEAMLINE ID13' +_diffrn_source.pdbx_wavelength 0.975 +_diffrn_source.pdbx_wavelength_list 0.975 +_diffrn_source.pdbx_synchrotron_site ESRF +_diffrn_source.pdbx_synchrotron_beamline ID13 +# +_reflns.d_resolution_low 80.00 +_reflns.d_resolution_high 1.80 +_reflns.number_obs 509 +_reflns.percent_possible_obs 89.5 +_reflns.pdbx_Rmerge_I_obs 0.204 +_reflns.pdbx_chi_squared 1.057 +_reflns.entry_id 1YJP +_reflns.observed_criterion_sigma_F 0 +_reflns.observed_criterion_sigma_I 0 +_reflns.number_all 509 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 3.75 +_reflns.B_iso_Wilson_estimate 45.6 +_reflns.pdbx_redundancy 2.0 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_ordinal 1 +_reflns.pdbx_diffrn_id 1 +# +_reflns_shell.d_res_low 1.94 +_reflns_shell.d_res_high 1.80 +_reflns_shell.number_unique_all 85 +_reflns_shell.percent_possible_all 84.2 +_reflns_shell.Rmerge_I_obs 0.491 +_reflns_shell.pdbx_redundancy ? +_reflns_shell.pdbx_chi_squared 1.092 +_reflns_shell.number_unique_obs ? +_reflns_shell.meanI_over_sigI_obs 1.5 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +# +_computing.entry_id 1YJP +_computing.pdbx_data_reduction_ii DENZO +_computing.pdbx_data_reduction_ds SCALEPACK +_computing.data_collection ? +_computing.structure_solution ? +_computing.structure_refinement 'REFMAC 5' +_computing.pdbx_structure_refinement_method ? +# +_refine.entry_id 1YJP +_refine.ls_d_res_high 1.80 +_refine.ls_d_res_low 22.44 +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_ls_sigma_I 0 +_refine.ls_number_reflns_all 474 +_refine.ls_number_reflns_obs 474 +_refine.ls_number_reflns_R_free 20 +_refine.ls_percent_reflns_obs ? +_refine.ls_R_factor_all 0.18139 +_refine.ls_R_factor_obs 0.18139 +_refine.ls_R_factor_R_work 0.18086 +_refine.ls_R_factor_R_free 0.19014 +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_method_to_determine_struct 'FOURIER SYNTHESIS' +_refine.pdbx_starting_model ? +_refine.pdbx_ls_cross_valid_method throughout +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.pdbx_isotropic_thermal_model ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.details ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 59 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 7 +_refine_hist.number_atoms_total 66 +_refine_hist.d_res_high 1.80 +_refine_hist.d_res_low 22.44 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.weight +_refine_ls_restr.pdbx_refine_id +r_angle_refined_deg 1.228 ? ? ? 'X-RAY DIFFRACTION' +r_bond_refined_d 0.014 ? ? ? 'X-RAY DIFFRACTION' +# +_struct.entry_id 1YJP +_struct.title 'Structure of GNNQQNY from yeast prion Sup35' +_struct.pdbx_descriptor PROTEIN +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1YJP +_struct_keywords.pdbx_keywords 'PROTEIN BINDING' +_struct_keywords.text 'beta sheet, steric zipper, glutamine zipper, asparagine zipper, PROTEIN BINDING' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +# +_struct_biol.id 1 +# +_atom_sites.entry_id 1YJP +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 0.045585 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.014006 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.205508 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.044560 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +N +C +O +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x_esd +_atom_site.Cartn_y_esd +_atom_site.Cartn_z_esd +_atom_site.occupancy_esd +_atom_site.B_iso_or_equiv_esd +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? ? ? ? ? ? 1 GLY A N 1 +ATOM 2 C CA . GLY A 1 1 ? -9.052 4.207 4.651 1.00 16.57 ? ? ? ? ? ? 1 GLY A CA 1 +ATOM 3 C C . GLY A 1 1 ? -8.015 3.140 4.419 1.00 16.16 ? ? ? ? ? ? 1 GLY A C 1 +ATOM 4 O O . GLY A 1 1 ? -7.523 2.521 5.381 1.00 16.78 ? ? ? ? ? ? 1 GLY A O 1 +ATOM 5 N N . ASN A 1 2 ? -7.656 2.923 3.155 1.00 15.02 ? ? ? ? ? ? 2 ASN A N 1 +ATOM 6 C CA . ASN A 1 2 ? -6.522 2.038 2.831 1.00 14.10 ? ? ? ? ? ? 2 ASN A CA 1 +ATOM 7 C C . ASN A 1 2 ? -5.241 2.537 3.427 1.00 13.13 ? ? ? ? ? ? 2 ASN A C 1 +ATOM 8 O O . ASN A 1 2 ? -4.978 3.742 3.426 1.00 11.91 ? ? ? ? ? ? 2 ASN A O 1 +ATOM 9 C CB . ASN A 1 2 ? -6.346 1.881 1.341 1.00 15.38 ? ? ? ? ? ? 2 ASN A CB 1 +ATOM 10 C CG . ASN A 1 2 ? -7.584 1.342 0.692 1.00 14.08 ? ? ? ? ? ? 2 ASN A CG 1 +ATOM 11 O OD1 . ASN A 1 2 ? -8.025 0.227 1.016 1.00 17.46 ? ? ? ? ? ? 2 ASN A OD1 1 +ATOM 12 N ND2 . ASN A 1 2 ? -8.204 2.155 -0.169 1.00 11.72 ? ? ? ? ? ? 2 ASN A ND2 1 +ATOM 13 N N . ASN A 1 3 ? -4.438 1.590 3.905 1.00 12.26 ? ? ? ? ? ? 3 ASN A N 1 +ATOM 14 C CA . ASN A 1 3 ? -3.193 1.904 4.589 1.00 11.74 ? ? ? ? ? ? 3 ASN A CA 1 +ATOM 15 C C . ASN A 1 3 ? -1.955 1.332 3.895 1.00 11.10 ? ? ? ? ? ? 3 ASN A C 1 +ATOM 16 O O . ASN A 1 3 ? -1.872 0.119 3.648 1.00 10.42 ? ? ? ? ? ? 3 ASN A O 1 +ATOM 17 C CB . ASN A 1 3 ? -3.259 1.378 6.042 1.00 12.15 ? ? ? ? ? ? 3 ASN A CB 1 +ATOM 18 C CG . ASN A 1 3 ? -2.006 1.739 6.861 1.00 12.82 ? ? ? ? ? ? 3 ASN A CG 1 +ATOM 19 O OD1 . ASN A 1 3 ? -1.702 2.925 7.072 1.00 15.05 ? ? ? ? ? ? 3 ASN A OD1 1 +ATOM 20 N ND2 . ASN A 1 3 ? -1.271 0.715 7.306 1.00 13.48 ? ? ? ? ? ? 3 ASN A ND2 1 +ATOM 21 N N . GLN A 1 4 ? -1.005 2.228 3.598 1.00 10.29 ? ? ? ? ? ? 4 GLN A N 1 +ATOM 22 C CA . GLN A 1 4 ? 0.384 1.888 3.199 1.00 10.53 ? ? ? ? ? ? 4 GLN A CA 1 +ATOM 23 C C . GLN A 1 4 ? 1.435 2.606 4.088 1.00 10.24 ? ? ? ? ? ? 4 GLN A C 1 +ATOM 24 O O . GLN A 1 4 ? 1.547 3.843 4.115 1.00 8.86 ? ? ? ? ? ? 4 GLN A O 1 +ATOM 25 C CB . GLN A 1 4 ? 0.656 2.148 1.711 1.00 9.80 ? ? ? ? ? ? 4 GLN A CB 1 +ATOM 26 C CG . GLN A 1 4 ? 1.944 1.458 1.213 1.00 10.25 ? ? ? ? ? ? 4 GLN A CG 1 +ATOM 27 C CD . GLN A 1 4 ? 2.504 2.044 -0.089 1.00 12.43 ? ? ? ? ? ? 4 GLN A CD 1 +ATOM 28 O OE1 . GLN A 1 4 ? 2.744 3.268 -0.190 1.00 14.62 ? ? ? ? ? ? 4 GLN A OE1 1 +ATOM 29 N NE2 . GLN A 1 4 ? 2.750 1.161 -1.091 1.00 9.05 ? ? ? ? ? ? 4 GLN A NE2 1 +ATOM 30 N N . GLN A 1 5 ? 2.154 1.821 4.871 1.00 10.38 ? ? ? ? ? ? 5 GLN A N 1 +ATOM 31 C CA . GLN A 1 5 ? 3.270 2.361 5.640 1.00 11.39 ? ? ? ? ? ? 5 GLN A CA 1 +ATOM 32 C C . GLN A 1 5 ? 4.594 1.768 5.172 1.00 11.52 ? ? ? ? ? ? 5 GLN A C 1 +ATOM 33 O O . GLN A 1 5 ? 4.768 0.546 5.054 1.00 12.05 ? ? ? ? ? ? 5 GLN A O 1 +ATOM 34 C CB . GLN A 1 5 ? 3.056 2.183 7.147 1.00 11.96 ? ? ? ? ? ? 5 GLN A CB 1 +ATOM 35 C CG . GLN A 1 5 ? 1.829 2.950 7.647 1.00 10.81 ? ? ? ? ? ? 5 GLN A CG 1 +ATOM 36 C CD . GLN A 1 5 ? 1.344 2.414 8.954 1.00 13.10 ? ? ? ? ? ? 5 GLN A CD 1 +ATOM 37 O OE1 . GLN A 1 5 ? 0.774 1.325 9.002 1.00 10.65 ? ? ? ? ? ? 5 GLN A OE1 1 +ATOM 38 N NE2 . GLN A 1 5 ? 1.549 3.187 10.039 1.00 12.30 ? ? ? ? ? ? 5 GLN A NE2 1 +ATOM 39 N N . ASN A 1 6 ? 5.514 2.664 4.856 1.00 11.99 ? ? ? ? ? ? 6 ASN A N 1 +ATOM 40 C CA . ASN A 1 6 ? 6.831 2.310 4.318 1.00 12.30 ? ? ? ? ? ? 6 ASN A CA 1 +ATOM 41 C C . ASN A 1 6 ? 7.854 2.761 5.324 1.00 13.40 ? ? ? ? ? ? 6 ASN A C 1 +ATOM 42 O O . ASN A 1 6 ? 8.219 3.943 5.374 1.00 13.92 ? ? ? ? ? ? 6 ASN A O 1 +ATOM 43 C CB . ASN A 1 6 ? 7.065 3.016 2.993 1.00 12.13 ? ? ? ? ? ? 6 ASN A CB 1 +ATOM 44 C CG . ASN A 1 6 ? 5.961 2.735 2.003 1.00 12.77 ? ? ? ? ? ? 6 ASN A CG 1 +ATOM 45 O OD1 . ASN A 1 6 ? 5.798 1.604 1.551 1.00 14.27 ? ? ? ? ? ? 6 ASN A OD1 1 +ATOM 46 N ND2 . ASN A 1 6 ? 5.195 3.747 1.679 1.00 10.07 ? ? ? ? ? ? 6 ASN A ND2 1 +ATOM 47 N N . TYR A 1 7 ? 8.292 1.817 6.147 1.00 14.70 ? ? ? ? ? ? 7 TYR A N 1 +ATOM 48 C CA . TYR A 1 7 ? 9.159 2.144 7.299 1.00 15.18 ? ? ? ? ? ? 7 TYR A CA 1 +ATOM 49 C C . TYR A 1 7 ? 10.603 2.331 6.885 1.00 15.91 ? ? ? ? ? ? 7 TYR A C 1 +ATOM 50 O O . TYR A 1 7 ? 11.041 1.811 5.855 1.00 15.76 ? ? ? ? ? ? 7 TYR A O 1 +ATOM 51 C CB . TYR A 1 7 ? 9.061 1.065 8.369 1.00 15.35 ? ? ? ? ? ? 7 TYR A CB 1 +ATOM 52 C CG . TYR A 1 7 ? 7.665 0.929 8.902 1.00 14.45 ? ? ? ? ? ? 7 TYR A CG 1 +ATOM 53 C CD1 . TYR A 1 7 ? 6.771 0.021 8.327 1.00 15.68 ? ? ? ? ? ? 7 TYR A CD1 1 +ATOM 54 C CD2 . TYR A 1 7 ? 7.210 1.756 9.920 1.00 14.80 ? ? ? ? ? ? 7 TYR A CD2 1 +ATOM 55 C CE1 . TYR A 1 7 ? 5.480 -0.094 8.796 1.00 13.46 ? ? ? ? ? ? 7 TYR A CE1 1 +ATOM 56 C CE2 . TYR A 1 7 ? 5.904 1.649 10.416 1.00 14.33 ? ? ? ? ? ? 7 TYR A CE2 1 +ATOM 57 C CZ . TYR A 1 7 ? 5.047 0.729 9.831 1.00 15.09 ? ? ? ? ? ? 7 TYR A CZ 1 +ATOM 58 O OH . TYR A 1 7 ? 3.766 0.589 10.291 1.00 14.39 ? ? ? ? ? ? 7 TYR A OH 1 +ATOM 59 O OXT . TYR A 1 7 ? 11.358 2.999 7.612 1.00 17.49 ? ? ? ? ? ? 7 TYR A OXT 1 +HETATM 60 O O . HOH B 2 . ? -6.471 5.227 7.124 1.00 22.62 ? ? ? ? ? ? 8 HOH A O 1 +HETATM 61 O O . HOH B 2 . ? 10.431 1.858 3.216 1.00 19.71 ? ? ? ? ? ? 9 HOH A O 1 +HETATM 62 O O . HOH B 2 . ? -11.286 1.756 -1.468 1.00 17.08 ? ? ? ? ? ? 10 HOH A O 1 +HETATM 63 O O . HOH B 2 . ? 11.808 4.179 9.970 1.00 23.99 ? ? ? ? ? ? 11 HOH A O 1 +HETATM 64 O O . HOH B 2 . ? 13.605 1.327 9.198 1.00 26.17 ? ? ? ? ? ? 12 HOH A O 1 +HETATM 65 O O . HOH B 2 . ? -2.749 3.429 10.024 1.00 39.15 ? ? ? ? ? ? 13 HOH A O 1 +HETATM 66 O O . HOH B 2 . ? -1.500 0.682 10.967 1.00 43.49 ? ? ? ? ? ? 14 HOH A O 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 1 1 GLY GLY A . n +A 1 2 ASN 2 2 2 ASN ASN A . n +A 1 3 ASN 3 3 3 ASN ASN A . n +A 1 4 GLN 4 4 4 GLN GLN A . n +A 1 5 GLN 5 5 5 GLN GLN A . n +A 1 6 ASN 6 6 6 ASN ASN A . n +A 1 7 TYR 7 7 7 TYR TYR A . n +# +_pdbx_database_remark.id 300 +_pdbx_database_remark.text +;BIOMOLECULE: 1 +THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT +WHICH CONSISTS OF 1 CHAIN(S). The second beta strand of +the beta sandwich is generated as described in remark 350. +Beta sheets are generated from unit cell translations +along the unit cell b dimension: x,y+1,z. +; +# +_pdbx_prerelease_seq.entity_id 1 +_pdbx_prerelease_seq.seq_one_letter_code GNNQQNY +# +_software.name 'REFMAC5 (CCP4: Supported Program)' +_software.version ? +_software.date ? +_software.type program +_software.contact_author 'Murshudov, G.N.' +_software.contact_author_email ccp4@dl.ac.uk +_software.classification refinement +_software.location http://www.ccp4.ac.uk/main.html +_software.language fortran +_software.citation_id ? +_software.pdbx_ordinal 1 +# +loop_ +_pdbx_version.entry_id +_pdbx_version.revision_date +_pdbx_version.major_version +_pdbx_version.minor_version +_pdbx_version.revision_type +_pdbx_version.details +1YJP 2008-04-30 3 2 'Version format compliance' 'compliance with PDB format V.3.15' +1YJP 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2 +_pdbx_struct_assembly_gen.asym_id_list A,B +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +2 'crystal symmetry operation' 2_555 -x,y+1/2,-z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 2.4330000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 HOH 1 8 8 HOH HOH A . +B 2 HOH 2 9 9 HOH HOH A . +B 2 HOH 3 10 10 HOH HOH A . +B 2 HOH 4 11 11 HOH HOH A . +B 2 HOH 5 12 12 HOH HOH A . +B 2 HOH 6 13 13 HOH HOH A . +B 2 HOH 7 14 14 HOH HOH A . +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.name water +_pdbx_entity_nonpoly.comp_id HOH +# diff --git a/tracking/dev.html b/tracking/dev.html new file mode 100644 index 000000000..431170d78 --- /dev/null +++ b/tracking/dev.html @@ -0,0 +1,327 @@ + + + + EXI + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tracking/index.html b/tracking/index.html new file mode 100644 index 000000000..ef1d5cb58 --- /dev/null +++ b/tracking/index.html @@ -0,0 +1,80 @@ + + + + +Extended ISPyB + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tracking/index.tpl.html b/tracking/index.tpl.html new file mode 100644 index 000000000..25515d76f --- /dev/null +++ b/tracking/index.tpl.html @@ -0,0 +1,149 @@ + + + + EXI + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tracking/viewers/pv/.gitignore b/tracking/viewers/pv/.gitignore new file mode 100644 index 000000000..cdca6a9fd --- /dev/null +++ b/tracking/viewers/pv/.gitignore @@ -0,0 +1,19 @@ +.DS_Store +/js/bio-pv.min.js +/js/bio-pv.dbg.js +/js/bio-pv.rel.js +js/bio-pv.rel.bro.js +js/bio-pv.browserify.js +/doc/_static/*.pdb +/bio-pv.js +/node_modules +/doc/_build +/doc/_static/bio-pv.min.js +build +*.csf +*.tgz +*.pyc +*.egg-info +dist +.ipynb_checkpoints +.idea/workspace.xml diff --git a/tracking/viewers/pv/.idea/.name b/tracking/viewers/pv/.idea/.name new file mode 100644 index 000000000..11641a4b2 --- /dev/null +++ b/tracking/viewers/pv/.idea/.name @@ -0,0 +1 @@ +pv \ No newline at end of file diff --git a/tracking/viewers/pv/.idea/codeStyleSettings.xml b/tracking/viewers/pv/.idea/codeStyleSettings.xml new file mode 100644 index 000000000..7fb8ed00d --- /dev/null +++ b/tracking/viewers/pv/.idea/codeStyleSettings.xml @@ -0,0 +1,13 @@ + + + + + + \ No newline at end of file diff --git a/tracking/viewers/pv/.idea/dictionaries/mvb.xml b/tracking/viewers/pv/.idea/dictionaries/mvb.xml new file mode 100644 index 000000000..1135ebedb --- /dev/null +++ b/tracking/viewers/pv/.idea/dictionaries/mvb.xml @@ -0,0 +1,7 @@ + + + + lightgrey + + + \ No newline at end of file diff --git a/tracking/viewers/pv/.idea/encodings.xml b/tracking/viewers/pv/.idea/encodings.xml new file mode 100644 index 000000000..97626ba45 --- /dev/null +++ b/tracking/viewers/pv/.idea/encodings.xml @@ -0,0 +1,6 @@ + + + + + + \ No newline at end of file diff --git a/tracking/viewers/pv/.idea/misc.xml b/tracking/viewers/pv/.idea/misc.xml new file mode 100644 index 000000000..d93c344a7 --- /dev/null +++ b/tracking/viewers/pv/.idea/misc.xml @@ -0,0 +1,14 @@ + + + + + + + + + + + + + + \ No newline at end of file diff --git a/tracking/viewers/pv/.idea/modules.xml b/tracking/viewers/pv/.idea/modules.xml new file mode 100644 index 000000000..c1d4051c0 --- /dev/null +++ b/tracking/viewers/pv/.idea/modules.xml @@ -0,0 +1,8 @@ + + + + + + + + \ No newline at end of file diff --git a/tracking/viewers/pv/.idea/pv.iml b/tracking/viewers/pv/.idea/pv.iml new file mode 100644 index 000000000..d0876a78d --- /dev/null +++ b/tracking/viewers/pv/.idea/pv.iml @@ -0,0 +1,8 @@ + + + + + + + + \ No newline at end of file diff --git a/tracking/viewers/pv/.idea/vcs.xml b/tracking/viewers/pv/.idea/vcs.xml new file mode 100644 index 000000000..94a25f7f4 --- /dev/null +++ b/tracking/viewers/pv/.idea/vcs.xml @@ -0,0 +1,6 @@ + + + + + + \ No newline at end of file diff --git a/tracking/viewers/pv/1r6a.pdb b/tracking/viewers/pv/1r6a.pdb new file mode 100644 index 000000000..3cd951ab8 --- /dev/null +++ b/tracking/viewers/pv/1r6a.pdb @@ -0,0 +1,2726 @@ +TITLE sad_normal_i.pdb Cycle 1 CC = 44.50% 542 residues in 6 chains +CRYST1 65.230 108.620 113.320 90.00 90.00 90.00 P 21 21 21 +SCALE1 0.015330 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.009206 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.008825 0.00000 +HETATM 1 SE01 SE Z 1 -23.016 76.637 -22.315 1.00 20.00 SE +HETATM 2 SE02 SE Z 2 38.943 61.307 -4.827 0.93 20.00 SE +HETATM 3 SE03 SE Z 3 -17.490 89.098 -37.345 0.92 20.00 SE +HETATM 4 SE04 SE Z 4 33.686 47.877 8.840 0.91 20.00 SE +HETATM 5 SE05 SE Z 5 -15.764 64.971 -8.039 0.86 20.00 SE +HETATM 6 SE06 SE Z 6 31.579 74.372 -18.280 0.84 20.00 SE +HETATM 7 SE07 SE Z 7 33.694 72.436 -6.399 0.83 20.00 SE +HETATM 8 SE08 SE Z 8 -17.973 76.338 -11.087 0.75 20.00 SE +HETATM 9 SE09 SE Z 9 21.738 56.897 -22.341 0.27 20.00 SE +HETATM 10 SE0J SE Z 10 -23.391 86.443 -18.492 0.21 20.00 SE +ATOM 11 CA ALA A 1 8.823 56.325 -29.174 1.00 20.00 C +ATOM 12 C ALA A 1 9.836 55.286 -29.644 1.00 20.00 C +ATOM 13 O ALA A 1 9.452 54.234 -30.150 1.00 20.00 O +ATOM 14 N ALA A 2 11.130 55.578 -29.480 1.00 20.00 N +ATOM 15 CA ALA A 2 12.182 54.657 -29.894 1.00 20.00 C +ATOM 16 CB ALA A 2 12.321 54.647 -31.420 1.00 20.00 C +ATOM 17 C ALA A 2 13.511 55.012 -29.235 1.00 20.00 C +ATOM 18 O ALA A 2 13.702 56.149 -28.808 1.00 20.00 O +ATOM 19 N ALA A 3 14.429 54.046 -29.152 1.00 20.00 N +ATOM 20 CA ALA A 3 15.734 54.279 -28.541 1.00 20.00 C +ATOM 21 CB ALA A 3 16.678 53.105 -28.822 1.00 20.00 C +ATOM 22 C ALA A 3 16.344 55.587 -29.033 1.00 20.00 C +ATOM 23 O ALA A 3 16.827 56.382 -28.229 1.00 20.00 O +ATOM 24 N ALA A 4 16.325 55.813 -30.349 1.00 20.00 N +ATOM 25 CA ALA A 4 16.882 57.032 -30.926 1.00 20.00 C +ATOM 26 CB ALA A 4 16.664 57.059 -32.442 1.00 20.00 C +ATOM 27 C ALA A 4 16.278 58.271 -30.276 1.00 20.00 C +ATOM 28 O ALA A 4 17.008 59.120 -29.770 1.00 20.00 O +ATOM 29 N ALA A 5 14.946 58.380 -30.287 1.00 20.00 N +ATOM 30 CA ALA A 5 14.265 59.524 -29.692 1.00 20.00 C +ATOM 31 CB ALA A 5 12.747 59.321 -29.719 1.00 20.00 C +ATOM 32 C ALA A 5 14.759 59.756 -28.269 1.00 20.00 C +ATOM 33 O ALA A 5 15.020 60.895 -27.884 1.00 20.00 O +ATOM 34 N ALA A 6 14.890 58.682 -27.485 1.00 20.00 N +ATOM 35 CA ALA A 6 15.354 58.791 -26.107 1.00 20.00 C +ATOM 36 CB ALA A 6 15.369 57.415 -25.433 1.00 20.00 C +ATOM 37 C ALA A 6 16.736 59.436 -26.080 1.00 20.00 C +ATOM 38 O ALA A 6 16.957 60.392 -25.339 1.00 20.00 O +ATOM 39 N ALA A 7 17.668 58.918 -26.886 1.00 20.00 N +ATOM 40 CA ALA A 7 19.022 59.457 -26.939 1.00 20.00 C +ATOM 41 CB ALA A 7 19.888 58.647 -27.910 1.00 20.00 C +ATOM 42 C ALA A 7 18.975 60.929 -27.337 1.00 20.00 C +ATOM 43 O ALA A 7 19.658 61.753 -26.731 1.00 20.00 O +ATOM 44 N ALA A 8 18.173 61.262 -28.352 1.00 20.00 N +ATOM 45 CA ALA A 8 18.054 62.641 -28.814 1.00 20.00 C +ATOM 46 CB ALA A 8 17.084 62.731 -29.997 1.00 20.00 C +ATOM 47 C ALA A 8 17.605 63.524 -27.654 1.00 20.00 C +ATOM 48 O ALA A 8 18.231 64.544 -27.378 1.00 20.00 O +ATOM 49 N ALA A 9 16.523 63.134 -26.973 1.00 20.00 N +ATOM 50 CA ALA A 9 16.008 63.904 -25.846 1.00 20.00 C +ATOM 51 CB ALA A 9 14.915 63.121 -25.113 1.00 20.00 C +ATOM 52 C ALA A 9 17.131 64.285 -24.886 1.00 20.00 C +ATOM 53 O ALA A 9 17.266 65.453 -24.528 1.00 20.00 O +ATOM 54 N ALA A 10 17.936 63.304 -24.468 1.00 20.00 N +ATOM 55 CA ALA A 10 19.041 63.558 -23.550 1.00 20.00 C +ATOM 56 CB ALA A 10 19.687 62.242 -23.106 1.00 20.00 C +ATOM 57 C ALA A 10 20.065 64.479 -24.204 1.00 20.00 C +ATOM 58 O ALA A 10 20.636 65.338 -23.537 1.00 20.00 O +ATOM 59 N ALA A 11 20.299 64.304 -25.508 1.00 20.00 N +ATOM 60 CA ALA A 11 21.259 65.130 -26.232 1.00 20.00 C +ATOM 61 CB ALA A 11 21.454 64.604 -27.658 1.00 20.00 C +ATOM 62 C ALA A 11 20.816 66.589 -26.255 1.00 20.00 C +ATOM 63 O ALA A 11 21.641 67.485 -26.091 1.00 20.00 O +ATOM 64 N ALA A 12 19.518 66.830 -26.456 1.00 20.00 N +ATOM 65 CA ALA A 12 18.988 68.189 -26.496 1.00 20.00 C +ATOM 66 CB ALA A 12 17.514 68.181 -26.910 1.00 20.00 C +ATOM 67 C ALA A 12 19.164 68.884 -25.150 1.00 20.00 C +ATOM 68 O ALA A 12 19.512 70.061 -25.104 1.00 20.00 O +ATOM 69 N ALA A 13 18.923 68.159 -24.053 1.00 20.00 N +ATOM 70 CA ALA A 13 19.060 68.726 -22.715 1.00 20.00 C +ATOM 71 CB ALA A 13 18.560 67.736 -21.658 1.00 20.00 C +ATOM 72 C ALA A 13 20.505 69.125 -22.436 1.00 20.00 C +ATOM 73 O ALA A 13 20.752 70.176 -21.850 1.00 20.00 O +ATOM 74 N ALA A 14 21.461 68.290 -22.854 1.00 20.00 N +ATOM 75 CA ALA A 14 22.876 68.575 -22.639 1.00 20.00 C +ATOM 76 CB ALA A 14 23.736 67.380 -23.060 1.00 20.00 C +ATOM 77 C ALA A 14 23.300 69.833 -23.390 1.00 20.00 C +ATOM 78 O ALA A 14 24.055 70.643 -22.856 1.00 20.00 O +ATOM 79 N ALA A 15 22.818 69.999 -24.624 1.00 20.00 N +ATOM 80 CA ALA A 15 23.160 71.166 -25.430 1.00 20.00 C +ATOM 81 CB ALA A 15 22.597 71.025 -26.848 1.00 20.00 C +ATOM 82 C ALA A 15 22.655 72.450 -24.778 1.00 20.00 C +ATOM 83 O ALA A 15 23.368 73.450 -24.755 1.00 20.00 O +ATOM 84 N ALA A 16 21.429 72.424 -24.248 1.00 20.00 N +ATOM 85 CA ALA A 16 20.850 73.597 -23.601 1.00 20.00 C +ATOM 86 CB ALA A 16 19.378 73.318 -23.279 1.00 20.00 C +ATOM 87 C ALA A 16 21.600 74.032 -22.347 1.00 20.00 C +ATOM 88 O ALA A 16 21.602 75.213 -22.008 1.00 20.00 O +ATOM 89 N ALA A 17 22.238 73.082 -21.656 1.00 20.00 N +ATOM 90 CA ALA A 17 22.986 73.389 -20.441 1.00 20.00 C +ATOM 91 CB ALA A 17 23.129 72.139 -19.566 1.00 20.00 C +ATOM 92 C ALA A 17 24.356 73.970 -20.777 1.00 20.00 C +ATOM 93 O ALA A 17 25.036 74.490 -19.896 1.00 20.00 O +ATOM 94 N ALA A 18 24.762 73.882 -22.046 1.00 20.00 N +ATOM 95 CA ALA A 18 26.055 74.405 -22.475 1.00 20.00 C +ATOM 96 CB ALA A 18 26.157 75.906 -22.188 1.00 20.00 C +ATOM 97 C ALA A 18 27.192 73.650 -21.794 1.00 20.00 C +ATOM 98 O ALA A 18 28.360 73.924 -22.059 1.00 20.00 O +ATOM 99 N ALA A 19 26.855 72.700 -20.917 1.00 20.00 N +ATOM 100 CA ALA A 19 27.862 71.917 -20.210 1.00 20.00 C +ATOM 101 CB ALA A 19 27.196 70.963 -19.213 1.00 20.00 C +ATOM 102 C ALA A 19 28.747 71.145 -21.182 1.00 20.00 C +ATOM 103 O ALA A 19 28.291 70.757 -22.256 1.00 20.00 O +ATOM 104 N ALA A 20 30.011 70.921 -20.812 1.00 20.00 N +ATOM 105 CA ALA A 20 30.943 70.193 -21.667 1.00 20.00 C +ATOM 106 CB ALA A 20 32.377 70.711 -21.517 1.00 20.00 C +ATOM 107 C ALA A 20 30.869 68.709 -21.322 1.00 20.00 C +ATOM 108 O ALA A 20 30.276 68.341 -20.310 1.00 20.00 O +ATOM 109 N ALA A 21 31.470 67.857 -22.157 1.00 20.00 N +ATOM 110 CA ALA A 21 31.460 66.418 -21.922 1.00 20.00 C +ATOM 111 CB ALA A 21 32.030 65.692 -23.145 1.00 20.00 C +ATOM 112 C ALA A 21 32.220 66.020 -20.660 1.00 20.00 C +ATOM 113 O ALA A 21 32.070 64.899 -20.178 1.00 20.00 O +ATOM 114 N ALA A 22 33.035 66.933 -20.124 1.00 20.00 N +ATOM 115 CA ALA A 22 33.808 66.656 -18.918 1.00 20.00 C +ATOM 116 CB ALA A 22 35.210 67.263 -19.032 1.00 20.00 C +ATOM 117 C ALA A 22 33.098 67.177 -17.673 1.00 20.00 C +ATOM 118 O ALA A 22 33.698 67.239 -16.602 1.00 20.00 O +ATOM 119 N ALA A 23 31.822 67.549 -17.809 1.00 20.00 N +ATOM 120 CA ALA A 23 31.049 68.061 -16.682 1.00 20.00 C +ATOM 121 CB ALA A 23 30.682 69.529 -16.916 1.00 20.00 C +ATOM 122 C ALA A 23 29.796 67.227 -16.432 1.00 20.00 C +ATOM 123 O ALA A 23 28.918 67.645 -15.681 1.00 20.00 O +ATOM 124 N ALA A 24 29.710 66.051 -17.060 1.00 20.00 N +ATOM 125 CA ALA A 24 28.555 65.175 -16.892 1.00 20.00 C +ATOM 126 CB ALA A 24 27.510 65.425 -17.984 1.00 20.00 C +ATOM 127 C ALA A 24 28.999 63.717 -16.898 1.00 20.00 C +ATOM 128 O ALA A 24 29.729 63.297 -17.793 1.00 20.00 O +ATOM 129 N ALA A 25 28.562 62.941 -15.901 1.00 20.00 N +ATOM 130 CA ALA A 25 28.926 61.532 -15.809 1.00 20.00 C +ATOM 131 CB ALA A 25 29.926 61.307 -14.670 1.00 20.00 C +ATOM 132 C ALA A 25 27.691 60.657 -15.621 1.00 20.00 C +ATOM 133 O ALA A 25 26.864 60.937 -14.755 1.00 20.00 O +ATOM 134 N ALA A 26 27.563 59.600 -16.426 1.00 20.00 N +ATOM 135 CA ALA A 26 26.420 58.697 -16.331 1.00 20.00 C +ATOM 136 CB ALA A 26 25.559 58.767 -17.596 1.00 20.00 C +ATOM 137 C ALA A 26 26.893 57.269 -16.082 1.00 20.00 C +ATOM 138 O ALA A 26 27.580 56.692 -16.923 1.00 20.00 O +ATOM 139 N ALA A 27 26.530 56.698 -14.931 1.00 20.00 N +ATOM 140 CA ALA A 27 26.928 55.335 -14.593 1.00 20.00 C +ATOM 141 CB ALA A 27 27.754 55.343 -13.302 1.00 20.00 C +ATOM 142 C ALA A 27 25.736 54.393 -14.460 1.00 20.00 C +ATOM 143 O ALA A 27 25.256 54.158 -13.355 1.00 20.00 O +ATOM 144 N ALA A 28 25.258 53.853 -15.585 1.00 20.00 N +ATOM 145 CA ALA A 28 24.120 52.939 -15.573 1.00 20.00 C +ATOM 146 CB ALA A 28 23.437 52.996 -16.943 1.00 20.00 C +ATOM 147 C ALA A 28 24.460 51.499 -15.202 1.00 20.00 C +ATOM 148 O ALA A 28 25.602 51.074 -15.361 1.00 20.00 O +ATOM 149 N ALA A 29 23.473 50.746 -14.709 1.00 20.00 N +ATOM 150 CA ALA A 29 23.688 49.356 -14.323 1.00 20.00 C +ATOM 151 CB ALA A 29 24.376 49.281 -12.955 1.00 20.00 C +ATOM 152 C ALA A 29 22.378 48.576 -14.308 1.00 20.00 C +ATOM 153 O ALA A 29 21.319 49.155 -14.074 1.00 20.00 O +ATOM 154 N ALA A 30 22.445 47.265 -14.556 1.00 20.00 N +ATOM 155 CA ALA A 30 21.252 46.425 -14.568 1.00 20.00 C +ATOM 156 CB ALA A 30 20.402 46.695 -15.813 1.00 20.00 C +ATOM 157 C ALA A 30 21.640 44.952 -14.492 1.00 20.00 C +ATOM 158 O ALA A 30 22.823 44.624 -14.542 1.00 20.00 O +ATOM 159 N ALA A 31 20.649 44.065 -14.370 1.00 20.00 N +ATOM 160 CA ALA A 31 20.909 42.631 -14.289 1.00 20.00 C +ATOM 161 CB ALA A 31 19.921 41.965 -13.328 1.00 20.00 C +ATOM 162 C ALA A 31 20.849 41.973 -15.663 1.00 20.00 C +ATOM 163 O ALA A 31 20.064 42.391 -16.513 1.00 20.00 O +ATOM 164 N ALA A 32 21.673 40.946 -15.885 1.00 20.00 N +ATOM 165 CA ALA A 32 21.697 40.244 -17.164 1.00 20.00 C +ATOM 166 CB ALA A 32 22.853 39.248 -17.300 1.00 20.00 C +ATOM 167 C ALA A 32 20.355 39.524 -17.247 1.00 20.00 C +ATOM 168 O ALA A 32 19.890 39.210 -18.341 1.00 20.00 O +ATOM 169 N ALA A 33 19.731 39.260 -16.095 1.00 20.00 N +ATOM 170 CA ALA A 33 18.443 38.576 -16.060 1.00 20.00 C +ATOM 171 CB ALA A 33 18.508 37.352 -15.142 1.00 20.00 C +ATOM 172 C ALA A 33 17.334 39.523 -15.615 1.00 20.00 C +ATOM 173 O ALA A 33 16.218 39.083 -15.347 1.00 20.00 O +ATOM 174 N ALA A 34 17.636 40.822 -15.536 1.00 20.00 N +ATOM 175 CA ALA A 34 16.650 41.814 -15.121 1.00 20.00 C +ATOM 176 CB ALA A 34 17.325 43.012 -14.445 1.00 20.00 C +ATOM 177 C ALA A 34 15.825 42.269 -16.320 1.00 20.00 C +ATOM 178 O ALA A 34 16.386 42.630 -17.353 1.00 20.00 O +ATOM 179 N ALA A 35 14.496 42.254 -16.189 1.00 20.00 N +ATOM 180 CA ALA A 35 13.613 42.669 -17.274 1.00 20.00 C +ATOM 181 CB ALA A 35 12.150 42.629 -16.824 1.00 20.00 C +ATOM 182 C ALA A 35 13.982 44.062 -17.775 1.00 20.00 C +ATOM 183 O ALA A 35 13.864 44.340 -18.966 1.00 20.00 O +ATOM 184 N ALA A 36 14.427 44.938 -16.871 1.00 20.00 N +ATOM 185 CA ALA A 36 14.808 46.297 -17.243 1.00 20.00 C +ATOM 186 CB ALA A 36 15.315 47.059 -16.013 1.00 20.00 C +ATOM 187 C ALA A 36 15.855 46.309 -18.351 1.00 20.00 C +ATOM 188 O ALA A 36 16.030 47.323 -19.023 1.00 20.00 O +ATOM 189 N ALA A 37 16.551 45.185 -18.545 1.00 20.00 N +ATOM 190 CA ALA A 37 17.577 45.088 -19.578 1.00 20.00 C +ATOM 191 CB ALA A 37 18.382 43.795 -19.417 1.00 20.00 C +ATOM 192 C ALA A 37 16.959 45.166 -20.970 1.00 20.00 C +ATOM 193 O ALA A 37 17.635 45.548 -21.923 1.00 20.00 O +ATOM 194 N ALA A 38 15.678 44.807 -21.091 1.00 20.00 N +ATOM 195 CA ALA A 38 14.990 44.844 -22.376 1.00 20.00 C +ATOM 196 CB ALA A 38 13.552 44.343 -22.212 1.00 20.00 C +ATOM 197 C ALA A 38 15.005 46.235 -23.000 1.00 20.00 C +ATOM 198 O ALA A 38 15.408 46.391 -24.150 1.00 20.00 O +ATOM 199 N ALA A 39 14.568 47.248 -22.245 1.00 20.00 N +ATOM 200 CA ALA A 39 14.540 48.619 -22.743 1.00 20.00 C +ATOM 201 CB ALA A 39 13.346 49.359 -22.132 1.00 20.00 C +ATOM 202 C ALA A 39 15.836 49.377 -22.476 1.00 20.00 C +ATOM 203 O ALA A 39 16.259 50.184 -23.301 1.00 20.00 O +ATOM 204 N ALA A 40 16.468 49.121 -21.327 1.00 20.00 N +ATOM 205 CA ALA A 40 17.714 49.790 -20.972 1.00 20.00 C +ATOM 206 CB ALA A 40 18.154 49.293 -19.591 1.00 20.00 C +ATOM 207 C ALA A 40 18.843 49.628 -21.985 1.00 20.00 C +ATOM 208 O ALA A 40 19.566 50.583 -22.260 1.00 20.00 O +ATOM 209 N ALA A 41 18.997 48.422 -22.539 1.00 20.00 N +ATOM 210 CA ALA A 41 20.045 48.157 -23.519 1.00 20.00 C +ATOM 211 CB ALA A 41 20.058 46.641 -23.741 1.00 20.00 C +ATOM 212 C ALA A 41 19.993 48.895 -24.853 1.00 20.00 C +ATOM 213 O ALA A 41 21.029 49.299 -25.375 1.00 20.00 O +ATOM 214 N ALA A 42 18.790 49.071 -25.407 1.00 20.00 N +ATOM 215 CA ALA A 42 18.626 49.763 -26.681 1.00 20.00 C +ATOM 216 CB ALA A 42 17.206 49.587 -27.229 1.00 20.00 C +ATOM 217 C ALA A 42 18.957 51.242 -26.513 1.00 20.00 C +ATOM 218 O ALA A 42 19.697 51.803 -27.319 1.00 20.00 O +ATOM 219 N ALA A 43 18.413 51.875 -25.471 1.00 20.00 N +ATOM 220 CA ALA A 43 18.663 53.291 -25.217 1.00 20.00 C +ATOM 221 CB ALA A 43 17.904 53.762 -23.972 1.00 20.00 C +ATOM 222 C ALA A 43 20.157 53.556 -25.066 1.00 20.00 C +ATOM 223 O ALA A 43 20.709 54.395 -25.775 1.00 20.00 O +ATOM 224 N ALA A 44 20.814 52.844 -24.146 1.00 20.00 N +ATOM 225 CA ALA A 44 22.245 53.018 -23.920 1.00 20.00 C +ATOM 226 CB ALA A 44 22.757 51.999 -22.898 1.00 20.00 C +ATOM 227 C ALA A 44 23.023 52.905 -25.227 1.00 20.00 C +ATOM 228 O ALA A 44 23.921 53.703 -25.481 1.00 20.00 O +ATOM 229 N ALA A 45 22.681 51.915 -26.057 1.00 20.00 N +ATOM 230 CA ALA A 45 23.360 51.716 -27.333 1.00 20.00 C +ATOM 231 CB ALA A 45 22.822 50.491 -28.079 1.00 20.00 C +ATOM 232 C ALA A 45 23.193 52.974 -28.178 1.00 20.00 C +ATOM 233 O ALA A 45 24.127 53.383 -28.864 1.00 20.00 O +ATOM 234 N ALA A 46 22.008 53.589 -28.131 1.00 20.00 N +ATOM 235 CA ALA A 46 21.742 54.800 -28.899 1.00 20.00 C +ATOM 236 CB ALA A 46 20.243 55.117 -28.903 1.00 20.00 C +ATOM 237 C ALA A 46 22.538 55.981 -28.353 1.00 20.00 C +ATOM 238 O ALA A 46 22.979 56.834 -29.119 1.00 20.00 O +ATOM 239 N ALA A 47 22.723 56.033 -27.031 1.00 20.00 N +ATOM 240 CA ALA A 47 23.470 57.119 -26.404 1.00 20.00 C +ATOM 241 CB ALA A 47 23.261 57.115 -24.886 1.00 20.00 C +ATOM 242 C ALA A 47 24.953 57.018 -26.741 1.00 20.00 C +ATOM 243 O ALA A 47 25.612 58.037 -26.934 1.00 20.00 O +ATOM 244 N ALA A 48 25.482 55.793 -26.813 1.00 20.00 N +ATOM 245 CA ALA A 48 26.891 55.582 -27.129 1.00 20.00 C +ATOM 246 CB ALA A 48 27.245 54.092 -27.103 1.00 20.00 C +ATOM 247 C ALA A 48 27.219 56.189 -28.489 1.00 20.00 C +ATOM 248 O ALA A 48 28.362 56.570 -28.734 1.00 20.00 O +ATOM 249 N ALA A 49 26.223 56.280 -29.374 1.00 20.00 N +ATOM 250 CA ALA A 49 26.428 56.844 -30.704 1.00 20.00 C +ATOM 251 CB ALA A 49 25.400 56.278 -31.689 1.00 20.00 C +ATOM 252 C ALA A 49 26.362 58.367 -30.675 1.00 20.00 C +ATOM 253 O ALA A 49 26.576 59.012 -31.699 1.00 20.00 O +ATOM 254 N ALA A 50 26.066 58.944 -29.507 1.00 20.00 N +ATOM 255 CA ALA A 50 25.977 60.394 -29.370 1.00 20.00 C +ATOM 256 CB ALA A 50 24.978 60.775 -28.273 1.00 20.00 C +ATOM 257 C ALA A 50 27.349 60.991 -29.077 1.00 20.00 C +ATOM 258 O ALA A 50 28.136 60.398 -28.343 1.00 20.00 O +ATOM 259 N ALA A 51 27.638 62.165 -29.647 1.00 20.00 N +ATOM 260 CA ALA A 51 28.922 62.824 -29.435 1.00 20.00 C +ATOM 261 CB ALA A 51 29.103 63.959 -30.449 1.00 20.00 C +ATOM 262 C ALA A 51 29.068 63.350 -28.011 1.00 20.00 C +ATOM 263 O ALA A 51 30.175 63.660 -27.578 1.00 20.00 O +ATOM 264 N ALA A 52 27.953 63.449 -27.280 1.00 20.00 N +ATOM 265 CA ALA A 52 27.979 63.940 -25.906 1.00 20.00 C +ATOM 266 CB ALA A 52 26.589 64.451 -25.516 1.00 20.00 C +ATOM 267 C ALA A 52 28.461 62.887 -24.913 1.00 20.00 C +ATOM 268 O ALA A 52 28.776 63.216 -23.772 1.00 20.00 O +ATOM 269 N ALA A 53 28.521 61.623 -25.343 1.00 20.00 N +ATOM 270 CA ALA A 53 28.968 60.540 -24.475 1.00 20.00 C +ATOM 271 CB ALA A 53 27.830 59.522 -24.352 1.00 20.00 C +ATOM 272 C ALA A 53 30.258 59.852 -24.910 1.00 20.00 C +ATOM 273 O ALA A 53 30.545 59.778 -26.103 1.00 20.00 O +ATOM 274 N ALA A 54 31.036 59.347 -23.948 1.00 20.00 N +ATOM 275 CA ALA A 54 32.291 58.669 -24.254 1.00 20.00 C +ATOM 276 CB ALA A 54 33.482 59.596 -23.990 1.00 20.00 C +ATOM 277 C ALA A 54 32.427 57.380 -23.452 1.00 20.00 C +ATOM 278 O ALA A 54 32.814 57.416 -22.286 1.00 20.00 O +ATOM 279 N ALA A 55 32.110 56.239 -24.072 1.00 20.00 N +ATOM 280 CA ALA A 55 32.204 54.948 -23.397 1.00 20.00 C +ATOM 281 CB ALA A 55 31.596 53.843 -24.266 1.00 20.00 C +ATOM 282 C ALA A 55 33.649 54.618 -23.040 1.00 20.00 C +ATOM 283 O ALA A 55 34.364 54.030 -23.849 1.00 20.00 O +ATOM 284 N ALA A 56 34.081 54.992 -21.833 1.00 20.00 N +ATOM 285 CA ALA A 56 35.446 54.725 -21.391 1.00 20.00 C +ATOM 286 CB ALA A 56 36.315 55.979 -21.536 1.00 20.00 C +ATOM 287 C ALA A 56 35.465 54.223 -19.951 1.00 20.00 C +ATOM 288 O ALA A 56 36.484 53.714 -19.489 1.00 20.00 O +ATOM 289 N ALA A 57 34.343 54.364 -19.240 1.00 20.00 N +ATOM 290 CA ALA A 57 34.252 53.918 -17.854 1.00 20.00 C +ATOM 291 CB ALA A 57 34.520 52.411 -17.796 1.00 20.00 C +ATOM 292 C ALA A 57 35.182 54.665 -16.903 1.00 20.00 C +ATOM 293 O ALA A 57 34.763 55.067 -15.820 1.00 20.00 O +ATOM 294 N ALA A 58 36.443 54.851 -17.303 1.00 20.00 N +ATOM 295 CA ALA A 58 37.415 55.553 -16.472 1.00 20.00 C +ATOM 296 CB ALA A 58 38.863 55.342 -16.928 1.00 20.00 C +ATOM 297 C ALA A 58 37.043 57.030 -16.537 1.00 20.00 C +ATOM 298 O ALA A 58 37.370 57.706 -17.510 1.00 20.00 O +ATOM 299 N ALA A 59 36.358 57.534 -15.507 1.00 20.00 N +ATOM 300 CA ALA A 59 35.951 58.934 -15.467 1.00 20.00 C +ATOM 301 CB ALA A 59 35.241 59.104 -14.120 1.00 20.00 C +ATOM 302 C ALA A 59 36.970 60.049 -15.680 1.00 20.00 C +ATOM 303 O ALA A 59 36.595 61.214 -15.787 1.00 20.00 O +ATOM 304 N ALA A 60 38.257 59.696 -15.744 1.00 20.00 N +ATOM 305 CA ALA A 60 39.313 60.682 -15.947 1.00 20.00 C +ATOM 306 CB ALA A 60 40.636 60.216 -15.330 1.00 20.00 C +ATOM 307 C ALA A 60 39.481 60.953 -17.438 1.00 20.00 C +ATOM 308 O ALA A 60 40.110 61.938 -17.817 1.00 20.00 O +ATOM 309 N ALA A 61 38.922 60.083 -18.283 1.00 20.00 N +ATOM 310 CA ALA A 61 39.022 60.247 -19.730 1.00 20.00 C +ATOM 311 CB ALA A 61 40.028 59.250 -20.316 1.00 20.00 C +ATOM 312 C ALA A 61 37.660 60.089 -20.395 1.00 20.00 C +ATOM 313 O ALA A 61 37.451 60.588 -21.499 1.00 20.00 O +ATOM 314 N ALA A 62 36.731 59.397 -19.729 1.00 20.00 N +ATOM 315 CA ALA A 62 35.394 59.185 -20.274 1.00 20.00 C +ATOM 316 CB ALA A 62 35.277 57.738 -20.763 1.00 20.00 C +ATOM 317 C ALA A 62 34.273 59.513 -19.293 1.00 20.00 C +ATOM 318 O ALA A 62 34.537 59.791 -18.126 1.00 20.00 O +ATOM 319 N ALA A 63 33.023 59.480 -19.763 1.00 20.00 N +ATOM 320 CA ALA A 63 31.876 59.778 -18.911 1.00 20.00 C +ATOM 321 CB ALA A 63 31.561 61.272 -19.034 1.00 20.00 C +ATOM 322 C ALA A 63 30.630 58.943 -19.185 1.00 20.00 C +ATOM 323 O ALA A 63 29.519 59.378 -18.891 1.00 20.00 O +ATOM 324 N ALA A 64 30.810 57.744 -19.748 1.00 20.00 N +ATOM 325 CA ALA A 64 29.687 56.864 -20.053 1.00 20.00 C +ATOM 326 CB ALA A 64 29.235 57.053 -21.505 1.00 20.00 C +ATOM 327 C ALA A 64 30.043 55.406 -19.788 1.00 20.00 C +ATOM 328 O ALA A 64 31.032 54.906 -20.320 1.00 20.00 O +ATOM 329 N ALA A 65 29.243 54.721 -18.966 1.00 20.00 N +ATOM 330 CA ALA A 65 29.492 53.321 -18.643 1.00 20.00 C +ATOM 331 CB ALA A 65 30.494 53.230 -17.488 1.00 20.00 C +ATOM 332 C ALA A 65 28.217 52.553 -18.309 1.00 20.00 C +ATOM 333 O ALA A 65 27.339 53.084 -17.631 1.00 20.00 O +ATOM 334 N ALA A 66 28.112 51.309 -18.780 1.00 20.00 N +ATOM 335 CA ALA A 66 26.935 50.487 -18.519 1.00 20.00 C +ATOM 336 CB ALA A 66 26.131 50.272 -19.805 1.00 20.00 C +ATOM 337 C ALA A 66 27.327 49.148 -17.902 1.00 20.00 C +ATOM 338 O ALA A 66 27.846 48.278 -18.597 1.00 20.00 O +ATOM 339 N ALA A 67 27.082 48.981 -16.599 1.00 20.00 N +ATOM 340 CA ALA A 67 27.417 47.739 -15.909 1.00 20.00 C +ATOM 341 CB ALA A 67 27.736 48.014 -14.436 1.00 20.00 C +ATOM 342 C ALA A 67 26.292 46.718 -16.034 1.00 20.00 C +ATOM 343 O ALA A 67 25.132 47.047 -15.797 1.00 20.00 O +ATOM 344 N ALA A 68 26.630 45.479 -16.403 1.00 20.00 N +ATOM 345 CA ALA A 68 25.633 44.425 -16.552 1.00 20.00 C +ATOM 346 CB ALA A 68 25.498 43.987 -18.014 1.00 20.00 C +ATOM 347 C ALA A 68 26.005 43.239 -15.669 1.00 20.00 C +ATOM 348 O ALA A 68 26.878 42.452 -16.029 1.00 20.00 O +ATOM 349 N ALA A 69 25.347 43.107 -14.513 1.00 20.00 N +ATOM 350 CA ALA A 69 25.625 42.009 -13.594 1.00 20.00 C +ATOM 351 CB ALA A 69 24.963 42.263 -12.236 1.00 20.00 C +ATOM 352 C ALA A 69 25.161 40.678 -14.176 1.00 20.00 C +ATOM 353 O ALA A 69 23.962 40.412 -14.227 1.00 20.00 O +ATOM 354 N ALA A 70 26.106 39.842 -14.616 1.00 20.00 N +ATOM 355 CA ALA A 70 25.772 38.543 -15.191 1.00 20.00 C +ATOM 356 CB ALA A 70 27.047 37.787 -15.578 1.00 20.00 C +ATOM 357 C ALA A 70 24.926 37.712 -14.232 1.00 20.00 C +ATOM 358 O ALA A 70 25.291 37.549 -13.070 1.00 20.00 O +ATOM 359 N ALA A 71 23.796 37.187 -14.714 1.00 20.00 N +ATOM 360 CA ALA A 71 22.912 36.375 -13.883 1.00 20.00 C +ATOM 361 CB ALA A 71 23.719 35.279 -13.180 1.00 20.00 C +ATOM 362 C ALA A 71 22.145 37.213 -12.865 1.00 20.00 C +ATOM 363 O ALA A 71 21.302 36.685 -12.144 1.00 20.00 O +ATOM 364 N ALA A 72 22.434 38.516 -12.805 1.00 20.00 N +ATOM 365 CA ALA A 72 21.759 39.408 -11.868 1.00 20.00 C +ATOM 366 CB ALA A 72 22.375 40.810 -11.927 1.00 20.00 C +ATOM 367 C ALA A 72 20.260 39.468 -12.141 1.00 20.00 C +ATOM 368 O ALA A 72 19.847 39.563 -13.294 1.00 20.00 O +ATOM 369 N ALA A 73 19.445 39.413 -11.083 1.00 20.00 N +ATOM 370 CA ALA A 73 17.994 39.463 -11.231 1.00 20.00 C +ATOM 371 CB ALA A 73 17.335 38.334 -10.433 1.00 20.00 C +ATOM 372 C ALA A 73 17.440 40.818 -10.802 1.00 20.00 C +ATOM 373 O ALA A 73 18.178 41.644 -10.268 1.00 20.00 O +ATOM 374 N ALA A 74 16.145 41.048 -11.032 1.00 20.00 N +ATOM 375 CA ALA A 74 15.513 42.311 -10.660 1.00 20.00 C +ATOM 376 CB ALA A 74 14.235 42.538 -11.473 1.00 20.00 C +ATOM 377 C ALA A 74 15.211 42.343 -9.166 1.00 20.00 C +ATOM 378 O ALA A 74 14.057 42.206 -8.767 1.00 20.00 O +ATOM 379 N ALA A 75 16.244 42.523 -8.338 1.00 20.00 N +ATOM 380 CA ALA A 75 16.067 42.571 -6.890 1.00 20.00 C +ATOM 381 CB ALA A 75 16.040 41.136 -6.352 1.00 20.00 C +ATOM 382 C ALA A 75 17.113 43.401 -6.154 1.00 20.00 C +ATOM 383 O ALA A 75 18.275 43.423 -6.552 1.00 20.00 O +ATOM 384 N ALA A 76 16.705 44.084 -5.080 1.00 20.00 N +ATOM 385 CA ALA A 76 17.623 44.909 -4.303 1.00 20.00 C +ATOM 386 CB ALA A 76 16.859 45.587 -3.161 1.00 20.00 C +ATOM 387 C ALA A 76 18.814 44.127 -3.761 1.00 20.00 C +ATOM 388 O ALA A 76 19.852 44.713 -3.461 1.00 20.00 O +ATOM 389 N ALA A 77 18.670 42.804 -3.633 1.00 20.00 N +ATOM 390 CA ALA A 77 19.746 41.962 -3.124 1.00 20.00 C +ATOM 391 CB ALA A 77 19.286 40.505 -3.013 1.00 20.00 C +ATOM 392 C ALA A 77 20.982 42.067 -4.011 1.00 20.00 C +ATOM 393 O ALA A 77 22.102 41.908 -3.530 1.00 20.00 O +ATOM 394 N ALA A 78 20.785 42.334 -5.306 1.00 20.00 N +ATOM 395 CA ALA A 78 21.896 42.456 -6.242 1.00 20.00 C +ATOM 396 CB ALA A 78 21.645 41.653 -7.523 1.00 20.00 C +ATOM 397 C ALA A 78 22.167 43.908 -6.541 1.00 20.00 C +ATOM 398 O ALA A 78 23.287 44.258 -6.909 1.00 20.00 O +ATOM 399 N ALA A 79 21.145 44.762 -6.429 1.00 20.00 N +ATOM 400 CA ALA A 79 21.293 46.180 -6.741 1.00 20.00 C +ATOM 401 CB ALA A 79 19.931 46.880 -6.723 1.00 20.00 C +ATOM 402 C ALA A 79 22.251 46.886 -5.786 1.00 20.00 C +ATOM 403 O ALA A 79 22.972 47.792 -6.197 1.00 20.00 O +ATOM 404 N ALA A 80 22.260 46.475 -4.515 1.00 20.00 N +ATOM 405 CA ALA A 80 23.137 47.081 -3.520 1.00 20.00 C +ATOM 406 CB ALA A 80 22.869 46.489 -2.133 1.00 20.00 C +ATOM 407 C ALA A 80 24.535 46.810 -4.067 1.00 20.00 C +ATOM 408 O ALA A 80 25.434 47.630 -3.895 1.00 20.00 O +ATOM 409 N ALA A 81 24.721 45.662 -4.724 1.00 20.00 N +ATOM 410 CA ALA A 81 26.018 45.302 -5.287 1.00 20.00 C +ATOM 411 CB ALA A 81 25.992 43.870 -5.831 1.00 20.00 C +ATOM 412 C ALA A 81 26.430 46.283 -6.380 1.00 20.00 C +ATOM 413 O ALA A 81 27.594 46.670 -6.455 1.00 20.00 O +ATOM 414 N ALA A 82 25.479 46.688 -7.227 1.00 20.00 N +ATOM 415 CA ALA A 82 25.765 47.625 -8.309 1.00 20.00 C +ATOM 416 CB ALA A 82 24.545 47.780 -9.224 1.00 20.00 C +ATOM 417 C ALA A 82 26.199 48.979 -7.758 1.00 20.00 C +ATOM 418 O ALA A 82 27.121 49.594 -8.290 1.00 20.00 O +ATOM 419 N ALA A 83 25.538 49.446 -6.696 1.00 20.00 N +ATOM 420 CA ALA A 83 25.871 50.731 -6.090 1.00 20.00 C +ATOM 421 CB ALA A 83 24.795 51.146 -5.082 1.00 20.00 C +ATOM 422 C ALA A 83 27.390 50.767 -5.378 1.00 20.00 C +ATOM 423 O ALA A 83 28.175 51.696 -5.557 1.00 20.00 O +ATOM 424 N ALA A 84 27.712 49.674 -4.682 1.00 20.00 N +ATOM 425 CA ALA A 84 29.033 49.506 -4.084 1.00 20.00 C +ATOM 426 CB ALA A 84 29.040 48.319 -3.116 1.00 20.00 C +ATOM 427 C ALA A 84 30.100 49.329 -5.159 1.00 20.00 C +ATOM 428 O ALA A 84 31.264 49.094 -4.838 1.00 20.00 O +ATOM 429 N ALA A 85 29.711 49.439 -6.431 1.00 20.00 N +ATOM 430 CA ALA A 85 30.650 49.287 -7.537 1.00 20.00 C +ATOM 431 CB ALA A 85 30.206 48.155 -8.470 1.00 20.00 C +ATOM 432 C ALA A 85 31.074 50.350 -8.545 1.00 20.00 C +ATOM 433 O ALA A 85 31.938 50.096 -9.382 1.00 20.00 O +ATOM 434 N ALA A 86 30.471 51.540 -8.468 1.00 20.00 N +ATOM 435 CA ALA A 86 30.801 52.627 -9.383 1.00 20.00 C +ATOM 436 CB ALA A 86 29.644 52.884 -10.355 1.00 20.00 C +ATOM 437 C ALA A 86 31.140 53.863 -8.557 1.00 20.00 C +ATOM 438 O ALA A 86 30.243 54.604 -8.159 1.00 20.00 O +ATOM 439 N ALA A 87 32.431 54.090 -8.298 1.00 20.00 N +ATOM 440 CA ALA A 87 32.865 55.242 -7.516 1.00 20.00 C +ATOM 441 CB ALA A 87 34.247 54.990 -6.905 1.00 20.00 C +ATOM 442 C ALA A 87 32.888 56.520 -8.348 1.00 20.00 C +ATOM 443 O ALA A 87 33.335 56.503 -9.493 1.00 20.00 O +ATOM 444 N ALA A 88 32.407 57.629 -7.778 1.00 20.00 N +ATOM 445 CA ALA A 88 32.382 58.905 -8.485 1.00 20.00 C +ATOM 446 CB ALA A 88 31.020 59.125 -9.151 1.00 20.00 C +ATOM 447 C ALA A 88 32.701 60.108 -7.603 1.00 20.00 C +ATOM 448 O ALA A 88 33.099 59.940 -6.451 1.00 20.00 O +ATOM 449 N ALA A 89 32.529 61.320 -8.137 1.00 20.00 N +ATOM 450 CA ALA A 89 32.805 62.538 -7.381 1.00 20.00 C +ATOM 451 CB ALA A 89 32.271 62.417 -5.950 1.00 20.00 C +ATOM 452 C ALA A 89 34.298 62.849 -7.373 1.00 20.00 C +ATOM 453 O ALA A 89 34.766 63.597 -6.518 1.00 20.00 O +ATOM 454 N ALA A 90 35.046 62.278 -8.321 1.00 20.00 N +ATOM 455 CA ALA A 90 36.485 62.508 -8.404 1.00 20.00 C +ATOM 456 CB ALA A 90 37.210 61.232 -8.844 1.00 20.00 C +ATOM 457 C ALA A 90 36.805 63.659 -9.353 1.00 20.00 C +ATOM 458 O ALA A 90 37.723 64.433 -9.093 1.00 20.00 O +ATOM 459 N ALA A 91 36.052 63.773 -10.450 1.00 20.00 N +ATOM 460 CA ALA A 91 36.273 64.837 -11.423 1.00 20.00 C +ATOM 461 CB ALA A 91 35.476 64.570 -12.704 1.00 20.00 C +ATOM 462 C ALA A 91 35.908 66.197 -10.838 1.00 20.00 C +ATOM 463 O ALA A 91 34.729 66.504 -10.680 1.00 20.00 O +ATOM 464 N ALA A 92 36.916 67.013 -10.515 1.00 20.00 N +ATOM 465 CA ALA A 92 36.679 68.336 -9.947 1.00 20.00 C +ATOM 466 CB ALA A 92 35.298 68.858 -10.355 1.00 20.00 C +ATOM 467 C ALA A 92 36.816 68.312 -8.428 1.00 20.00 C +ATOM 468 O ALA A 92 36.580 69.324 -7.772 1.00 20.00 O +ATOM 469 N ALA A 93 37.197 67.160 -7.868 1.00 20.00 N +ATOM 470 CA ALA A 93 37.359 67.027 -6.424 1.00 20.00 C +ATOM 471 CB ALA A 93 37.873 65.629 -6.066 1.00 20.00 C +ATOM 472 C ALA A 93 38.296 68.100 -5.879 1.00 20.00 C +ATOM 473 O ALA A 93 39.342 68.362 -6.468 1.00 20.00 O +ATOM 474 N ALA A 94 37.925 68.721 -4.755 1.00 20.00 N +ATOM 475 CA ALA A 94 38.747 69.762 -4.148 1.00 20.00 C +ATOM 476 CB ALA A 94 37.906 70.634 -3.211 1.00 20.00 C +ATOM 477 C ALA A 94 39.930 69.157 -3.399 1.00 20.00 C +ATOM 478 O ALA A 94 40.623 69.863 -2.668 1.00 20.00 O +ATOM 479 N ALA A 95 40.165 67.855 -3.577 1.00 20.00 N +ATOM 480 CA ALA A 95 41.270 67.176 -2.910 1.00 20.00 C +ATOM 481 CB ALA A 95 40.747 66.060 -1.999 1.00 20.00 C +ATOM 482 C ALA A 95 42.263 66.619 -3.925 1.00 20.00 C +ATOM 483 O ALA A 95 41.864 65.944 -4.870 1.00 20.00 O +ATOM 484 N ALA A 96 43.555 66.900 -3.733 1.00 20.00 N +ATOM 485 CA ALA A 96 44.588 66.418 -4.643 1.00 20.00 C +ATOM 486 CB ALA A 96 45.901 67.172 -4.418 1.00 20.00 C +ATOM 487 C ALA A 96 44.781 64.915 -4.467 1.00 20.00 C +ATOM 488 O ALA A 96 45.422 64.484 -3.511 1.00 20.00 O +ATOM 489 N ALA A 97 44.230 64.116 -5.386 1.00 20.00 N +ATOM 490 CA ALA A 97 44.354 62.664 -5.313 1.00 20.00 C +ATOM 491 CB ALA A 97 43.189 62.064 -4.520 1.00 20.00 C +ATOM 492 C ALA A 97 44.428 62.045 -6.704 1.00 20.00 C +ATOM 493 O ALA A 97 43.964 62.645 -7.672 1.00 20.00 O +ATOM 494 N ALA A 98 45.007 60.846 -6.809 1.00 20.00 N +ATOM 495 CA ALA A 98 45.130 60.163 -8.093 1.00 20.00 C +ATOM 496 CB ALA A 98 46.591 59.794 -8.369 1.00 20.00 C +ATOM 497 C ALA A 98 44.232 58.931 -8.102 1.00 20.00 C +ATOM 498 O ALA A 98 44.254 58.146 -7.156 1.00 20.00 O +ATOM 499 N ALA A 99 43.444 58.757 -9.166 1.00 20.00 N +ATOM 500 CA ALA A 99 42.546 57.613 -9.276 1.00 20.00 C +ATOM 501 CB ALA A 99 41.116 58.082 -9.561 1.00 20.00 C +ATOM 502 C ALA A 99 43.016 56.640 -10.353 1.00 20.00 C +ATOM 503 O ALA A 99 43.385 57.062 -11.447 1.00 20.00 O +ATOM 504 N ALA A 100 43.004 55.339 -10.049 1.00 20.00 N +ATOM 505 CA ALA A 100 43.432 54.323 -11.004 1.00 20.00 C +ATOM 506 CB ALA A 100 44.473 53.394 -10.373 1.00 20.00 C +ATOM 507 C ALA A 100 42.242 53.523 -11.522 1.00 20.00 C +ATOM 508 O ALA A 100 42.425 52.486 -12.155 1.00 20.00 O +ATOM 509 N ALA A 101 41.023 53.999 -11.254 1.00 20.00 N +ATOM 510 CA ALA A 101 39.816 53.313 -11.702 1.00 20.00 C +ATOM 511 CB ALA A 101 38.699 54.323 -11.985 1.00 20.00 C +ATOM 512 C ALA A 101 40.091 52.458 -12.934 1.00 20.00 C +ATOM 513 O ALA A 101 41.127 52.619 -13.576 1.00 20.00 O +ATOM 514 N ALA A 102 39.169 51.551 -13.266 1.00 20.00 N +ATOM 515 CA ALA A 102 39.332 50.681 -14.427 1.00 20.00 C +ATOM 516 CB ALA A 102 38.804 49.277 -14.116 1.00 20.00 C +ATOM 517 C ALA A 102 38.641 51.253 -15.660 1.00 20.00 C +ATOM 518 O ALA A 102 37.705 52.039 -15.532 1.00 20.00 O +ATOM 519 N ALA A 103 39.099 50.863 -16.853 1.00 20.00 N +ATOM 520 CA ALA A 103 38.510 51.349 -18.096 1.00 20.00 C +ATOM 521 CB ALA A 103 39.477 51.166 -19.270 1.00 20.00 C +ATOM 522 C ALA A 103 37.191 50.634 -18.370 1.00 20.00 C +ATOM 523 O ALA A 103 36.300 51.204 -18.996 1.00 20.00 O +ATOM 524 N ALA A 104 37.064 49.388 -17.904 1.00 20.00 N +ATOM 525 CA ALA A 104 35.844 48.614 -18.111 1.00 20.00 C +ATOM 526 CB ALA A 104 35.934 47.720 -19.352 1.00 20.00 C +ATOM 527 C ALA A 104 35.563 47.816 -16.855 1.00 20.00 C +ATOM 528 O ALA A 104 35.764 46.604 -16.810 1.00 20.00 O +ATOM 529 N ALA A 105 35.100 48.510 -15.812 1.00 20.00 N +ATOM 530 CA ALA A 105 34.801 47.869 -14.536 1.00 20.00 C +ATOM 531 CB ALA A 105 34.127 48.858 -13.580 1.00 20.00 C +ATOM 532 C ALA A 105 33.928 46.620 -14.613 1.00 20.00 C +ATOM 533 O ALA A 105 32.822 46.673 -15.146 1.00 20.00 O +ATOM 534 N ALA A 106 34.422 45.497 -14.084 1.00 20.00 N +ATOM 535 CA ALA A 106 33.671 44.246 -14.103 1.00 20.00 C +ATOM 536 CB ALA A 106 34.623 43.046 -14.153 1.00 20.00 C +ATOM 537 C ALA A 106 32.794 44.274 -12.857 1.00 20.00 C +ATOM 538 O ALA A 106 33.176 44.862 -11.847 1.00 20.00 O +ATOM 539 N ALA A 107 31.619 43.641 -12.921 1.00 20.00 N +ATOM 540 CA ALA A 107 30.703 43.605 -11.786 1.00 20.00 C +ATOM 541 CB ALA A 107 29.302 43.181 -12.237 1.00 20.00 C +ATOM 542 C ALA A 107 31.221 42.673 -10.695 1.00 20.00 C +ATOM 543 O ALA A 107 31.666 41.566 -10.991 1.00 20.00 O +ATOM 544 N ALA A 108 31.165 43.116 -9.436 1.00 20.00 N +ATOM 545 CA ALA A 108 31.633 42.306 -8.317 1.00 20.00 C +ATOM 546 CB ALA A 108 33.132 42.520 -8.082 1.00 20.00 C +ATOM 547 C ALA A 108 30.841 42.620 -7.052 1.00 20.00 C +ATOM 548 O ALA A 108 30.807 43.768 -6.615 1.00 20.00 O +ATOM 549 N ALA A 109 30.204 41.604 -6.462 1.00 20.00 N +ATOM 550 CA ALA A 109 29.419 41.793 -5.248 1.00 20.00 C +ATOM 551 CB ALA A 109 28.609 40.534 -4.923 1.00 20.00 C +ATOM 552 C ALA A 109 30.319 42.170 -4.075 1.00 20.00 C +ATOM 553 O ALA A 109 31.506 41.851 -4.083 1.00 20.00 O +ATOM 554 N ALA A 110 29.760 42.846 -3.068 1.00 20.00 N +ATOM 555 CA ALA A 110 30.530 43.255 -1.899 1.00 20.00 C +ATOM 556 CB ALA A 110 29.858 44.438 -1.194 1.00 20.00 C +ATOM 557 C ALA A 110 30.711 42.088 -0.934 1.00 20.00 C +ATOM 558 O ALA A 110 29.836 41.232 -0.831 1.00 20.00 O +ATOM 559 N ALA A 111 31.845 42.049 -0.228 1.00 20.00 N +ATOM 560 CA ALA A 111 32.119 40.978 0.723 1.00 20.00 C +ATOM 561 CB ALA A 111 33.275 41.331 1.665 1.00 20.00 C +ATOM 562 C ALA A 111 30.848 40.694 1.516 1.00 20.00 C +ATOM 563 O ALA A 111 30.310 41.592 2.159 1.00 20.00 O +ATOM 564 N ALA A 112 30.367 39.448 1.473 1.00 20.00 N +ATOM 565 CA ALA A 112 29.157 39.069 2.194 1.00 20.00 C +ATOM 566 CB ALA A 112 28.983 37.547 2.222 1.00 20.00 C +ATOM 567 C ALA A 112 29.201 39.630 3.611 1.00 20.00 C +ATOM 568 O ALA A 112 28.156 39.863 4.215 1.00 20.00 O +ATOM 569 N ALA A 113 30.406 39.850 4.143 1.00 20.00 N +ATOM 570 CA ALA A 113 30.563 40.385 5.492 1.00 20.00 C +ATOM 571 CB ALA A 113 31.994 40.177 5.998 1.00 20.00 C +ATOM 572 C ALA A 113 30.191 41.864 5.528 1.00 20.00 C +ATOM 573 O ALA A 113 30.019 42.430 6.606 1.00 20.00 O +ATOM 574 N ALA A 114 30.066 42.491 4.355 1.00 20.00 N +ATOM 575 CA ALA A 114 29.714 43.905 4.276 1.00 20.00 C +ATOM 576 CB ALA A 114 30.106 44.517 2.927 1.00 20.00 C +ATOM 577 C ALA A 114 28.214 44.045 4.512 1.00 20.00 C +ATOM 578 O ALA A 114 27.717 45.157 4.674 1.00 20.00 O +ATOM 579 N ALA A 115 27.492 42.921 4.533 1.00 20.00 N +ATOM 580 CA ALA A 115 26.049 42.942 4.752 1.00 20.00 C +ATOM 581 CB ALA A 115 25.391 41.720 4.104 1.00 20.00 C +ATOM 582 C ALA A 115 25.718 43.003 6.239 1.00 20.00 C +ATOM 583 O ALA A 115 24.554 43.146 6.607 1.00 20.00 O +ATOM 584 N ALA A 116 26.738 42.897 7.097 1.00 20.00 N +ATOM 585 CA ALA A 116 26.533 42.943 8.540 1.00 20.00 C +ATOM 586 CB ALA A 116 27.406 41.899 9.243 1.00 20.00 C +ATOM 587 C ALA A 116 26.819 44.338 9.086 1.00 20.00 C +ATOM 588 O ALA A 116 27.486 45.133 8.427 1.00 20.00 O +ATOM 589 N ALA A 117 26.317 44.639 10.287 1.00 20.00 N +ATOM 590 CA ALA A 117 26.530 45.945 10.902 1.00 20.00 C +ATOM 591 CB ALA A 117 25.846 46.013 12.270 1.00 20.00 C +ATOM 592 C ALA A 117 28.018 46.254 11.029 1.00 20.00 C +ATOM 593 O ALA A 117 28.822 45.345 11.222 1.00 20.00 O +ATOM 594 N ALA A 118 28.387 47.534 10.921 1.00 20.00 N +ATOM 595 CA ALA A 118 29.784 47.940 11.027 1.00 20.00 C +ATOM 596 CB ALA A 118 30.238 48.726 9.792 1.00 20.00 C +ATOM 597 C ALA A 118 29.970 48.773 12.291 1.00 20.00 C +ATOM 598 O ALA A 118 29.090 49.552 12.651 1.00 20.00 O +ATOM 599 N ALA A 119 31.112 48.612 12.966 1.00 20.00 N +ATOM 600 CA ALA A 119 31.392 49.359 14.188 1.00 20.00 C +ATOM 601 CB ALA A 119 32.751 48.978 14.783 1.00 20.00 C +ATOM 602 C ALA A 119 31.338 50.852 13.883 1.00 20.00 C +ATOM 603 O ALA A 119 30.878 51.634 14.710 1.00 20.00 O +ATOM 604 N ALA A 120 31.809 51.250 12.696 1.00 20.00 N +ATOM 605 CA ALA A 120 31.805 52.654 12.303 1.00 20.00 C +ATOM 606 CB ALA A 120 33.091 53.007 11.548 1.00 20.00 C +ATOM 607 C ALA A 120 30.580 52.979 11.456 1.00 20.00 C +ATOM 608 O ALA A 120 30.717 53.448 10.328 1.00 20.00 O +ATOM 609 N ALA A 121 29.382 52.733 11.994 1.00 20.00 N +ATOM 610 CA ALA A 121 28.145 53.007 11.272 1.00 20.00 C +ATOM 611 CB ALA A 121 26.981 52.226 11.891 1.00 20.00 C +ATOM 612 C ALA A 121 27.836 54.500 11.244 1.00 20.00 C +ATOM 613 O ALA A 121 27.973 55.177 12.260 1.00 20.00 O +ATOM 614 N ALA A 122 27.418 55.015 10.084 1.00 20.00 N +ATOM 615 CA ALA A 122 27.095 56.432 9.947 1.00 20.00 C +ATOM 616 CB ALA A 122 27.163 56.862 8.478 1.00 20.00 C +ATOM 617 C ALA A 122 25.720 56.736 10.532 1.00 20.00 C +ATOM 618 O ALA A 122 24.895 55.836 10.667 1.00 20.00 O +ATOM 619 N ALA A 123 25.471 58.001 10.881 1.00 20.00 N +ATOM 620 CA ALA A 123 24.189 58.401 11.451 1.00 20.00 C +ATOM 621 CB ALA A 123 24.314 59.744 12.177 1.00 20.00 C +ATOM 622 C ALA A 123 23.115 58.474 10.370 1.00 20.00 C +ATOM 623 O ALA A 123 23.376 58.962 9.272 1.00 20.00 O +ATOM 624 N ALA A 124 21.908 57.990 10.675 1.00 20.00 N +ATOM 625 CA ALA A 124 20.809 58.009 9.715 1.00 20.00 C +ATOM 626 CB ALA A 124 20.350 56.586 9.383 1.00 20.00 C +ATOM 627 C ALA A 124 19.645 58.837 10.251 1.00 20.00 C +ATOM 628 O ALA A 124 18.736 58.292 10.874 1.00 20.00 O +ATOM 629 N ALA A 125 19.670 60.151 10.012 1.00 20.00 N +ATOM 630 CA ALA A 125 18.607 61.035 10.479 1.00 20.00 C +ATOM 631 CB ALA A 125 19.139 62.469 10.566 1.00 20.00 C +ATOM 632 C ALA A 125 17.356 60.979 9.609 1.00 20.00 C +ATOM 633 O ALA A 125 17.452 61.049 8.386 1.00 20.00 O +ATOM 634 N ALA A 126 16.182 60.853 10.235 1.00 20.00 N +ATOM 635 CA ALA A 126 14.924 60.789 9.499 1.00 20.00 C +ATOM 636 CB ALA A 126 13.993 59.728 10.094 1.00 20.00 C +ATOM 637 C ALA A 126 14.203 62.201 9.423 1.00 20.00 C +ATOM 638 O ALA A 126 13.705 62.636 10.459 1.00 20.00 O +ATOM 639 N ALA A 127 14.271 62.919 8.298 1.00 20.00 N +ATOM 640 CA ALA A 127 13.752 64.280 8.224 1.00 20.00 C +ATOM 641 CB ALA A 127 14.662 65.155 7.357 1.00 20.00 C +ATOM 642 C ALA A 127 12.324 64.296 7.691 1.00 20.00 C +ATOM 643 O ALA A 127 11.933 63.397 6.950 1.00 20.00 O +ATOM 644 N ALA A 128 11.543 65.314 8.063 1.00 20.00 N +ATOM 645 CA ALA A 128 10.161 65.426 7.611 1.00 20.00 C +ATOM 646 CB ALA A 128 9.116 65.111 8.686 1.00 20.00 C +ATOM 647 C ALA A 128 10.043 66.877 7.157 1.00 20.00 C +ATOM 648 O ALA A 128 10.283 67.791 7.944 1.00 20.00 O +ATOM 649 N ALA A 129 9.674 67.094 5.892 1.00 20.00 N +ATOM 650 CA ALA A 129 9.530 68.443 5.355 1.00 20.00 C +ATOM 651 CB ALA A 129 10.762 68.796 4.516 1.00 20.00 C +ATOM 652 C ALA A 129 8.255 68.621 4.538 1.00 20.00 C +ATOM 653 O ALA A 129 7.665 67.639 4.093 1.00 20.00 O +ATOM 654 N ALA A 130 7.827 69.871 4.338 1.00 20.00 N +ATOM 655 CA ALA A 130 6.619 70.155 3.571 1.00 20.00 C +ATOM 656 CB ALA A 130 5.600 70.974 4.369 1.00 20.00 C +ATOM 657 C ALA A 130 7.038 70.902 2.309 1.00 20.00 C +ATOM 658 O ALA A 130 7.702 71.932 2.394 1.00 20.00 O +ATOM 659 N ALA A 131 6.652 70.385 1.138 1.00 20.00 N +ATOM 660 CA ALA A 131 6.999 71.019 -0.129 1.00 20.00 C +ATOM 661 CB ALA A 131 8.147 70.253 -0.793 1.00 20.00 C +ATOM 662 C ALA A 131 5.808 71.127 -1.077 1.00 20.00 C +ATOM 663 O ALA A 131 4.663 71.117 -0.630 1.00 20.00 O +ATOM 664 N ALA A 132 6.073 71.229 -2.382 1.00 20.00 N +ATOM 665 CA ALA A 132 5.009 71.338 -3.374 1.00 20.00 C +ATOM 666 CB ALA A 132 5.593 71.770 -4.723 1.00 20.00 C +ATOM 667 C ALA A 132 4.225 70.037 -3.522 1.00 20.00 C +ATOM 668 O ALA A 132 3.512 69.856 -4.506 1.00 20.00 O +ATOM 669 N ALA A 133 4.355 69.132 -2.547 1.00 20.00 N +ATOM 670 CA ALA A 133 3.650 67.856 -2.588 1.00 20.00 C +ATOM 671 CB ALA A 133 4.538 66.769 -3.202 1.00 20.00 C +ATOM 672 C ALA A 133 3.184 67.444 -1.195 1.00 20.00 C +ATOM 673 O ALA A 133 3.188 66.259 -0.870 1.00 20.00 O +ATOM 674 N ALA A 134 2.781 68.417 -0.373 1.00 20.00 N +ATOM 675 CA ALA A 134 2.316 68.135 0.980 1.00 20.00 C +ATOM 676 CB ALA A 134 1.237 67.047 0.963 1.00 20.00 C +ATOM 677 C ALA A 134 3.476 67.725 1.882 1.00 20.00 C +ATOM 678 O ALA A 134 4.626 67.728 1.447 1.00 20.00 O +ATOM 679 N ALA A 135 3.181 67.374 3.136 1.00 20.00 N +ATOM 680 CA ALA A 135 4.214 66.966 4.082 1.00 20.00 C +ATOM 681 CB ALA A 135 3.670 66.984 5.514 1.00 20.00 C +ATOM 682 C ALA A 135 4.761 65.586 3.733 1.00 20.00 C +ATOM 683 O ALA A 135 3.990 64.664 3.473 1.00 20.00 O +ATOM 684 N ALA A 136 6.088 65.439 3.725 1.00 20.00 N +ATOM 685 CA ALA A 136 6.717 64.162 3.404 1.00 20.00 C +ATOM 686 CB ALA A 136 6.984 64.051 1.900 1.00 20.00 C +ATOM 687 C ALA A 136 8.010 63.984 4.193 1.00 20.00 C +ATOM 688 O ALA A 136 8.497 64.934 4.801 1.00 20.00 O +ATOM 689 N ALA A 137 8.568 62.770 4.186 1.00 20.00 N +ATOM 690 CA ALA A 137 9.804 62.490 4.907 1.00 20.00 C +ATOM 691 CB ALA A 137 9.465 61.641 6.136 1.00 20.00 C +ATOM 692 C ALA A 137 10.898 61.823 4.080 1.00 20.00 C +ATOM 693 O ALA A 137 10.612 61.232 3.041 1.00 20.00 O +ATOM 694 N ALA A 138 12.151 61.915 4.536 1.00 20.00 N +ATOM 695 CA ALA A 138 13.273 61.314 3.823 1.00 20.00 C +ATOM 696 CB ALA A 138 13.839 62.281 2.778 1.00 20.00 C +ATOM 697 C ALA A 138 14.359 60.888 4.804 1.00 20.00 C +ATOM 698 O ALA A 138 14.457 61.444 5.896 1.00 20.00 O +ATOM 699 N ALA A 139 15.176 59.902 4.420 1.00 20.00 N +ATOM 700 CA ALA A 139 16.250 59.417 5.281 1.00 20.00 C +ATOM 701 CB ALA A 139 16.284 57.886 5.287 1.00 20.00 C +ATOM 702 C ALA A 139 17.598 59.983 4.848 1.00 20.00 C +ATOM 703 O ALA A 139 17.934 59.937 3.666 1.00 20.00 O +ATOM 704 N ALA A 140 18.371 60.514 5.798 1.00 20.00 N +ATOM 705 CA ALA A 140 19.680 61.082 5.493 1.00 20.00 C +ATOM 706 CB ALA A 140 19.752 62.545 5.942 1.00 20.00 C +ATOM 707 C ALA A 140 20.793 60.267 6.141 1.00 20.00 C +ATOM 708 O ALA A 140 20.821 60.123 7.362 1.00 20.00 O +ATOM 709 N ALA A 141 21.711 59.732 5.330 1.00 20.00 N +ATOM 710 CA ALA A 141 22.818 58.934 5.846 1.00 20.00 C +ATOM 711 CB ALA A 141 23.051 57.700 4.969 1.00 20.00 C +ATOM 712 C ALA A 141 24.089 59.771 5.943 1.00 20.00 C +ATOM 713 O ALA A 141 24.583 60.262 4.930 1.00 20.00 O +ATOM 714 N ALA A 142 24.621 59.935 7.158 1.00 20.00 N +ATOM 715 CA ALA A 142 25.836 60.717 7.364 1.00 20.00 C +ATOM 716 CB ALA A 142 25.674 61.692 8.534 1.00 20.00 C +ATOM 717 C ALA A 142 27.020 59.786 7.601 1.00 20.00 C +ATOM 718 O ALA A 142 26.880 58.769 8.276 1.00 20.00 O +ATOM 719 N ALA A 143 28.187 60.130 7.047 1.00 20.00 N +ATOM 720 CA ALA A 143 29.384 59.311 7.212 1.00 20.00 C +ATOM 721 CB ALA A 143 30.545 59.872 6.384 1.00 20.00 C +ATOM 722 C ALA A 143 29.769 59.217 8.684 1.00 20.00 C +ATOM 723 O ALA A 143 29.386 60.074 9.478 1.00 20.00 O +ATOM 724 N ALA A 144 30.527 58.180 9.051 1.00 20.00 N +ATOM 725 CA ALA A 144 30.953 57.994 10.435 1.00 20.00 C +ATOM 726 CB ALA A 144 31.650 56.650 10.669 1.00 20.00 C +ATOM 727 C ALA A 144 31.892 59.150 10.761 1.00 20.00 C +ATOM 728 O ALA A 144 32.898 59.337 10.080 1.00 20.00 O +ATOM 729 N ALA A 145 31.569 59.925 11.800 1.00 20.00 N +ATOM 730 CA ALA A 145 32.398 61.057 12.198 1.00 20.00 C +ATOM 731 CB ALA A 145 33.884 60.698 12.093 1.00 20.00 C +ATOM 732 C ALA A 145 32.084 62.293 11.361 1.00 20.00 C +ATOM 733 O ALA A 145 32.956 63.133 11.150 1.00 20.00 O +ATOM 734 N ALA A 146 30.842 62.407 10.882 1.00 20.00 N +ATOM 735 CA ALA A 146 30.435 63.549 10.070 1.00 20.00 C +ATOM 736 CB ALA A 146 28.920 63.534 9.841 1.00 20.00 C +ATOM 737 C ALA A 146 30.869 64.860 10.715 1.00 20.00 C +ATOM 738 O ALA A 146 30.564 65.104 11.881 1.00 20.00 O +ATOM 739 N ALA A 147 31.578 65.706 9.963 1.00 20.00 N +ATOM 740 CA ALA A 147 32.043 66.989 10.481 1.00 20.00 C +ATOM 741 CB ALA A 147 33.562 67.119 10.333 1.00 20.00 C +ATOM 742 C ALA A 147 31.334 68.138 9.773 1.00 20.00 C +ATOM 743 O ALA A 147 31.628 68.424 8.615 1.00 20.00 O +ATOM 744 N ALA A 148 30.400 68.798 10.465 1.00 20.00 N +ATOM 745 CA ALA A 148 29.661 69.914 9.884 1.00 20.00 C +ATOM 746 CB ALA A 148 28.678 70.499 10.902 1.00 20.00 C +ATOM 747 C ALA A 148 30.612 70.992 9.376 1.00 20.00 C +ATOM 748 O ALA A 148 30.228 71.810 8.543 1.00 20.00 O +ATOM 749 N ALA A 149 31.852 70.997 9.873 1.00 20.00 N +ATOM 750 CA ALA A 149 32.842 71.984 9.456 1.00 20.00 C +ATOM 751 CB ALA A 149 33.883 72.204 10.558 1.00 20.00 C +ATOM 752 C ALA A 149 33.519 71.562 8.156 1.00 20.00 C +ATOM 753 O ALA A 149 34.288 72.331 7.584 1.00 20.00 O +ATOM 754 N ALA A 150 33.235 70.344 7.687 1.00 20.00 N +ATOM 755 CA ALA A 150 33.827 69.840 6.453 1.00 20.00 C +ATOM 756 CB ALA A 150 34.435 68.452 6.673 1.00 20.00 C +ATOM 757 C ALA A 150 32.797 69.803 5.329 1.00 20.00 C +ATOM 758 O ALA A 150 31.604 69.962 5.580 1.00 20.00 O +ATOM 759 N ALA A 151 33.251 69.592 4.090 1.00 20.00 N +ATOM 760 CA ALA A 151 32.353 69.538 2.942 1.00 20.00 C +ATOM 761 CB ALA A 151 32.793 70.528 1.859 1.00 20.00 C +ATOM 762 C ALA A 151 32.284 68.122 2.378 1.00 20.00 C +ATOM 763 O ALA A 151 33.302 67.575 1.959 1.00 20.00 O +ATOM 764 N ALA A 152 31.088 67.526 2.367 1.00 20.00 N +ATOM 765 CA ALA A 152 30.910 66.174 1.850 1.00 20.00 C +ATOM 766 CB ALA A 152 30.275 65.315 2.948 1.00 20.00 C +ATOM 767 C ALA A 152 30.101 66.081 0.561 1.00 20.00 C +ATOM 768 O ALA A 152 29.102 66.781 0.409 1.00 20.00 O +ATOM 769 N ALA A 153 30.527 65.220 -0.368 1.00 20.00 N +ATOM 770 CA ALA A 153 29.827 65.053 -1.637 1.00 20.00 C +ATOM 771 CB ALA A 153 30.577 64.165 -2.635 1.00 20.00 C +ATOM 772 C ALA A 153 28.477 64.439 -1.282 1.00 20.00 C +ATOM 773 O ALA A 153 28.393 63.623 -0.366 1.00 20.00 O +ATOM 774 N ALA A 154 27.421 64.826 -2.003 1.00 20.00 N +ATOM 775 CA ALA A 154 26.084 64.302 -1.748 1.00 20.00 C +ATOM 776 CB ALA A 154 25.164 65.483 -1.422 1.00 20.00 C +ATOM 777 C ALA A 154 25.488 63.450 -2.863 1.00 20.00 C +ATOM 778 O ALA A 154 25.693 63.742 -4.039 1.00 20.00 O +ATOM 779 N ALA A 155 24.751 62.396 -2.499 1.00 20.00 N +ATOM 780 CA ALA A 155 24.135 61.515 -3.486 1.00 20.00 C +ATOM 781 CB ALA A 155 25.007 60.272 -3.694 1.00 20.00 C +ATOM 782 C ALA A 155 22.717 61.115 -3.092 1.00 20.00 C +ATOM 783 O ALA A 155 22.508 60.568 -2.012 1.00 20.00 O +ATOM 784 N ALA A 156 21.742 61.388 -3.965 1.00 20.00 N +ATOM 785 CA ALA A 156 20.350 61.048 -3.689 1.00 20.00 C +ATOM 786 CB ALA A 156 19.398 62.167 -4.124 1.00 20.00 C +ATOM 787 C ALA A 156 19.985 59.672 -4.375 1.00 20.00 C +ATOM 788 O ALA A 156 20.278 59.497 -5.555 1.00 20.00 O +ATOM 789 N ALA A 157 19.358 58.747 -3.642 1.00 20.00 N +ATOM 790 CA ALA A 157 18.976 57.455 -4.201 1.00 20.00 C +ATOM 791 CB ALA A 157 19.722 56.320 -3.492 1.00 20.00 C +ATOM 792 C ALA A 157 17.468 57.245 -4.111 1.00 20.00 C +ATOM 793 O ALA A 157 16.911 57.242 -3.015 1.00 20.00 O +ATOM 794 N ALA A 158 16.807 57.070 -5.258 1.00 20.00 N +ATOM 795 CA ALA A 158 15.363 56.862 -5.286 1.00 20.00 C +ATOM 796 CB ALA A 158 14.747 57.518 -6.526 1.00 20.00 C +ATOM 797 C ALA A 158 14.983 55.386 -5.243 1.00 20.00 C +ATOM 798 O ALA A 158 15.539 54.584 -5.990 1.00 20.00 O +ATOM 799 N ALA A 159 14.036 55.024 -4.372 1.00 20.00 N +ATOM 800 CA ALA A 159 13.597 53.638 -4.249 1.00 20.00 C +ATOM 801 CB ALA A 159 12.693 53.466 -3.024 1.00 20.00 C +ATOM 802 C ALA A 159 12.880 53.177 -5.514 1.00 20.00 C +ATOM 803 O ALA A 159 12.927 53.862 -6.533 1.00 20.00 O +ATOM 804 N ALA A 160 12.217 52.019 -5.452 1.00 20.00 N +ATOM 805 CA ALA A 160 11.498 51.485 -6.604 1.00 20.00 C +ATOM 806 CB ALA A 160 11.991 50.075 -6.942 1.00 20.00 C +ATOM 807 C ALA A 160 9.990 51.473 -6.374 1.00 20.00 C +ATOM 808 O ALA A 160 9.534 51.734 -5.263 1.00 20.00 O +ATOM 809 N ALA A 161 9.215 51.171 -7.419 1.00 20.00 N +ATOM 810 CA ALA A 161 7.761 51.130 -7.310 1.00 20.00 C +ATOM 811 CB ALA A 161 7.140 50.551 -8.585 1.00 20.00 C +ATOM 812 C ALA A 161 7.327 50.327 -6.089 1.00 20.00 C +ATOM 813 O ALA A 161 7.885 49.266 -5.819 1.00 20.00 O +ATOM 814 N ALA A 162 6.334 50.828 -5.349 1.00 20.00 N +ATOM 815 CA ALA A 162 5.841 50.140 -4.160 1.00 20.00 C +ATOM 816 CB ALA A 162 5.508 48.680 -4.481 1.00 20.00 C +ATOM 817 C ALA A 162 6.843 50.214 -3.013 1.00 20.00 C +ATOM 818 O ALA A 162 6.678 49.529 -2.006 1.00 20.00 O +ATOM 819 N ALA A 163 7.881 51.042 -3.162 1.00 20.00 N +ATOM 820 CA ALA A 163 8.898 51.189 -2.126 1.00 20.00 C +ATOM 821 CB ALA A 163 10.302 51.063 -2.727 1.00 20.00 C +ATOM 822 C ALA A 163 8.738 52.520 -1.400 1.00 20.00 C +ATOM 823 O ALA A 163 8.036 53.405 -1.884 1.00 20.00 O +ATOM 824 N ALA A 164 9.386 52.666 -0.241 1.00 20.00 N +ATOM 825 CA ALA A 164 9.302 53.898 0.535 1.00 20.00 C +ATOM 826 CB ALA A 164 8.599 53.646 1.873 1.00 20.00 C +ATOM 827 C ALA A 164 10.674 54.519 0.774 1.00 20.00 C +ATOM 828 O ALA A 164 11.677 54.002 0.289 1.00 20.00 O +ATOM 829 N ALA A 165 10.721 55.627 1.520 1.00 20.00 N +ATOM 830 CA ALA A 165 11.982 56.302 1.811 1.00 20.00 C +ATOM 831 CB ALA A 165 11.733 57.758 2.214 1.00 20.00 C +ATOM 832 C ALA A 165 12.760 55.572 2.901 1.00 20.00 C +ATOM 833 O ALA A 165 13.837 56.018 3.292 1.00 20.00 O +ATOM 834 N ALA A 166 12.221 54.453 3.392 1.00 20.00 N +ATOM 835 CA ALA A 166 12.882 53.678 4.437 1.00 20.00 C +ATOM 836 CB ALA A 166 12.017 53.630 5.701 1.00 20.00 C +ATOM 837 C ALA A 166 13.198 52.270 3.945 1.00 20.00 C +ATOM 838 O ALA A 166 13.692 51.446 4.711 1.00 20.00 O +ATOM 839 N ALA A 167 12.915 51.991 2.669 1.00 20.00 N +ATOM 840 CA ALA A 167 13.177 50.675 2.095 1.00 20.00 C +ATOM 841 CB ALA A 167 12.472 50.526 0.744 1.00 20.00 C +ATOM 842 C ALA A 167 14.661 50.370 1.923 1.00 20.00 C +ATOM 843 O ALA A 167 15.100 49.260 2.215 1.00 20.00 O +ATOM 844 N ALA A 168 15.435 51.351 1.450 1.00 20.00 N +ATOM 845 CA ALA A 168 16.868 51.167 1.246 1.00 20.00 C +ATOM 846 CB ALA A 168 17.458 52.345 0.465 1.00 20.00 C +ATOM 847 C ALA A 168 17.633 50.986 2.553 1.00 20.00 C +ATOM 848 O ALA A 168 18.567 50.189 2.615 1.00 20.00 O +ATOM 849 N ALA A 169 17.240 51.721 3.597 1.00 20.00 N +ATOM 850 CA ALA A 169 17.902 51.626 4.894 1.00 20.00 C +ATOM 851 CB ALA A 169 17.917 52.989 5.593 1.00 20.00 C +ATOM 852 C ALA A 169 17.230 50.578 5.774 1.00 20.00 C +ATOM 853 O ALA A 169 17.527 50.490 6.963 1.00 20.00 O +ATOM 854 N ALA A 170 16.325 49.784 5.195 1.00 20.00 N +ATOM 855 CA ALA A 170 15.623 48.748 5.945 1.00 20.00 C +ATOM 856 CB ALA A 170 14.193 48.579 5.421 1.00 20.00 C +ATOM 857 C ALA A 170 16.378 47.424 5.885 1.00 20.00 C +ATOM 858 O ALA A 170 17.449 47.353 5.288 1.00 20.00 O +ATOM 859 N ALA A 171 15.823 46.377 6.501 1.00 20.00 N +ATOM 860 CA ALA A 171 16.460 45.064 6.505 1.00 20.00 C +ATOM 861 CB ALA A 171 15.901 44.197 7.637 1.00 20.00 C +ATOM 862 C ALA A 171 16.284 44.372 5.158 1.00 20.00 C +ATOM 863 O ALA A 171 16.721 43.236 4.986 1.00 20.00 O +ATOM 864 N ALA A 172 15.644 45.051 4.201 1.00 20.00 N +ATOM 865 CA ALA A 172 15.421 44.483 2.876 1.00 20.00 C +ATOM 866 CB ALA A 172 14.052 44.904 2.333 1.00 20.00 C +ATOM 867 C ALA A 172 16.528 44.890 1.910 1.00 20.00 C +ATOM 868 O ALA A 172 16.558 44.420 0.774 1.00 20.00 O +ATOM 869 N ALA A 173 17.437 45.761 2.355 1.00 20.00 N +ATOM 870 CA ALA A 173 18.538 46.218 1.513 1.00 20.00 C +ATOM 871 CB ALA A 173 18.152 47.500 0.769 1.00 20.00 C +ATOM 872 C ALA A 173 19.804 46.437 2.335 1.00 20.00 C +ATOM 873 O ALA A 173 20.906 46.206 1.842 1.00 20.00 O +ATOM 874 N ALA A 174 19.651 46.882 3.585 1.00 20.00 N +ATOM 875 CA ALA A 174 20.795 47.126 4.457 1.00 20.00 C +ATOM 876 CB ALA A 174 21.261 45.822 5.112 1.00 20.00 C +ATOM 877 C ALA A 174 21.941 47.779 3.693 1.00 20.00 C +ATOM 878 O ALA A 174 23.093 47.381 3.851 1.00 20.00 O +ATOM 879 N ALA A 175 21.631 48.781 2.865 1.00 20.00 N +ATOM 880 CA ALA A 175 22.650 49.475 2.086 1.00 20.00 C +ATOM 881 CB ALA A 175 22.001 50.434 1.082 1.00 20.00 C +ATOM 882 C ALA A 175 23.587 50.205 3.042 1.00 20.00 C +ATOM 883 O ALA A 175 24.783 50.303 2.778 1.00 20.00 O +ATOM 884 N ALA A 176 23.048 50.719 4.152 1.00 20.00 N +ATOM 885 CA ALA A 176 23.854 51.436 5.134 1.00 20.00 C +ATOM 886 CB ALA A 176 22.995 51.859 6.330 1.00 20.00 C +ATOM 887 C ALA A 176 25.036 50.588 5.592 1.00 20.00 C +ATOM 888 O ALA A 176 26.109 51.122 5.865 1.00 20.00 O +ATOM 889 N ALA A 177 24.843 49.269 5.679 1.00 20.00 N +ATOM 890 CA ALA A 177 25.906 48.366 6.107 1.00 20.00 C +ATOM 891 CB ALA A 177 25.354 46.957 6.343 1.00 20.00 C +ATOM 892 C ALA A 177 27.026 48.351 5.072 1.00 20.00 C +ATOM 893 O ALA A 177 28.197 48.459 5.430 1.00 20.00 O +ATOM 894 N ALA A 178 26.672 48.219 3.791 1.00 20.00 N +ATOM 895 CA ALA A 178 27.663 48.193 2.720 1.00 20.00 C +ATOM 896 CB ALA A 178 27.000 47.860 1.380 1.00 20.00 C +ATOM 897 C ALA A 178 28.411 49.519 2.635 1.00 20.00 C +ATOM 898 O ALA A 178 29.624 49.532 2.437 1.00 20.00 O +ATOM 899 N ALA A 179 27.692 50.636 2.783 1.00 20.00 N +ATOM 900 CA ALA A 179 28.307 51.957 2.720 1.00 20.00 C +ATOM 901 CB ALA A 179 27.236 53.052 2.749 1.00 20.00 C +ATOM 902 C ALA A 179 29.304 52.152 3.857 1.00 20.00 C +ATOM 903 O ALA A 179 30.378 52.712 3.646 1.00 20.00 O +ATOM 904 N ALA A 180 28.954 51.691 5.061 1.00 20.00 N +ATOM 905 CA ALA A 180 29.834 51.825 6.218 1.00 20.00 C +ATOM 906 CB ALA A 180 29.118 51.370 7.494 1.00 20.00 C +ATOM 907 C ALA A 180 31.124 51.038 6.017 1.00 20.00 C +ATOM 908 O ALA A 180 32.200 51.519 6.366 1.00 20.00 O +ATOM 909 N ALA A 181 31.022 49.830 5.456 1.00 20.00 N +ATOM 910 CA ALA A 181 32.193 48.993 5.219 1.00 20.00 C +ATOM 911 CB ALA A 181 31.773 47.604 4.728 1.00 20.00 C +ATOM 912 C ALA A 181 33.140 49.650 4.220 1.00 20.00 C +ATOM 913 O ALA A 181 34.355 49.608 4.404 1.00 20.00 O +ATOM 914 N ALA A 182 32.591 50.256 3.165 1.00 20.00 N +ATOM 915 CA ALA A 182 33.405 50.916 2.149 1.00 20.00 C +ATOM 916 CB ALA A 182 32.540 51.301 0.945 1.00 20.00 C +ATOM 917 C ALA A 182 34.121 52.140 2.710 1.00 20.00 C +ATOM 918 O ALA A 182 35.295 52.354 2.418 1.00 20.00 O +ATOM 919 N ALA A 183 33.419 52.943 3.514 1.00 20.00 N +ATOM 920 CA ALA A 183 34.006 54.141 4.104 1.00 20.00 C +ATOM 921 CB ALA A 183 32.931 54.973 4.810 1.00 20.00 C +ATOM 922 C ALA A 183 35.131 53.787 5.072 1.00 20.00 C +ATOM 923 O ALA A 183 36.186 54.417 5.048 1.00 20.00 O +ATOM 924 N ALA A 184 34.910 52.780 5.922 1.00 20.00 N +ATOM 925 CA ALA A 184 35.918 52.359 6.889 1.00 20.00 C +ATOM 926 CB ALA A 184 35.323 51.362 7.888 1.00 20.00 C +ATOM 927 C ALA A 184 37.132 51.757 6.189 1.00 20.00 C +ATOM 928 O ALA A 184 38.265 52.019 6.586 1.00 20.00 O +ATOM 929 N ALA A 185 36.899 50.953 5.148 1.00 20.00 N +ATOM 930 CA ALA A 185 37.987 50.324 4.407 1.00 20.00 C +ATOM 931 CB ALA A 185 37.463 49.133 3.599 1.00 20.00 C +ATOM 932 C ALA A 185 38.690 51.323 3.494 1.00 20.00 C +ATOM 933 O ALA A 185 39.731 51.009 2.921 1.00 20.00 O +ATOM 934 N ALA A 186 38.126 52.527 3.357 1.00 20.00 N +ATOM 935 CA ALA A 186 38.715 53.557 2.508 1.00 20.00 C +ATOM 936 CB ALA A 186 40.235 53.588 2.696 1.00 20.00 C +ATOM 937 C ALA A 186 38.360 53.356 1.039 1.00 20.00 C +ATOM 938 O ALA A 186 38.790 54.132 0.189 1.00 20.00 O +ATOM 939 N ALA A 187 37.576 52.317 0.737 1.00 20.00 N +ATOM 940 CA ALA A 187 37.176 52.033 -0.637 1.00 20.00 C +ATOM 941 CB ALA A 187 36.376 50.728 -0.707 1.00 20.00 C +ATOM 942 C ALA A 187 36.370 53.188 -1.221 1.00 20.00 C +ATOM 943 O ALA A 187 36.579 53.567 -2.371 1.00 20.00 O +ATOM 944 N ALA A 188 35.449 53.750 -0.433 1.00 20.00 N +ATOM 945 CA ALA A 188 34.623 54.862 -0.891 1.00 20.00 C +ATOM 946 CB ALA A 188 33.144 54.462 -0.920 1.00 20.00 C +ATOM 947 C ALA A 188 34.830 56.089 -0.010 1.00 20.00 C +ATOM 948 O ALA A 188 34.882 55.969 1.212 1.00 20.00 O +ATOM 949 N ALA A 189 34.947 57.269 -0.625 1.00 20.00 N +ATOM 950 CA ALA A 189 35.148 58.506 0.123 1.00 20.00 C +ATOM 951 CB ALA A 189 35.512 59.655 -0.824 1.00 20.00 C +ATOM 952 C ALA A 189 33.911 58.858 0.941 1.00 20.00 C +ATOM 953 O ALA A 189 32.816 58.390 0.636 1.00 20.00 O +ATOM 954 N ALA A 190 34.079 59.681 1.980 1.00 20.00 N +ATOM 955 CA ALA A 190 32.963 60.082 2.830 1.00 20.00 C +ATOM 956 CB ALA A 190 33.470 60.813 4.077 1.00 20.00 C +ATOM 957 C ALA A 190 31.977 60.955 2.060 1.00 20.00 C +ATOM 958 O ALA A 190 32.390 61.845 1.320 1.00 20.00 O +ATOM 959 N ALA A 191 30.676 60.704 2.231 1.00 20.00 N +ATOM 960 CA ALA A 191 29.649 61.479 1.543 1.00 20.00 C +ATOM 961 CB ALA A 191 29.649 61.158 0.045 1.00 20.00 C +ATOM 962 C ALA A 191 28.272 61.227 2.146 1.00 20.00 C +ATOM 963 O ALA A 191 28.088 60.259 2.881 1.00 20.00 O +ATOM 964 N ALA A 192 27.303 62.094 1.839 1.00 20.00 N +ATOM 965 CA ALA A 192 25.949 61.947 2.362 1.00 20.00 C +ATOM 966 CB ALA A 192 25.336 63.319 2.665 1.00 20.00 C +ATOM 967 C ALA A 192 25.068 61.170 1.389 1.00 20.00 C +ATOM 968 O ALA A 192 25.165 61.365 0.180 1.00 20.00 O +ATOM 969 N ALA A 193 24.210 60.290 1.912 1.00 20.00 N +ATOM 970 CA ALA A 193 23.322 59.493 1.072 1.00 20.00 C +ATOM 971 CB ALA A 193 23.560 57.992 1.266 1.00 20.00 C +ATOM 972 C ALA A 193 21.875 59.853 1.389 1.00 20.00 C +ATOM 973 O ALA A 193 21.391 59.557 2.480 1.00 20.00 O +ATOM 974 N ALA A 194 21.181 60.490 0.441 1.00 20.00 N +ATOM 975 CA ALA A 194 19.790 60.880 0.641 1.00 20.00 C +ATOM 976 CB ALA A 194 19.549 62.301 0.121 1.00 20.00 C +ATOM 977 C ALA A 194 18.843 59.894 -0.036 1.00 20.00 C +ATOM 978 O ALA A 194 19.051 59.535 -1.193 1.00 20.00 O +ATOM 979 N ALA A 195 17.804 59.456 0.680 1.00 20.00 N +ATOM 980 CA ALA A 195 16.837 58.512 0.130 1.00 20.00 C +ATOM 981 CB ALA A 195 16.974 57.144 0.805 1.00 20.00 C +ATOM 982 C ALA A 195 15.415 59.043 0.276 1.00 20.00 C +ATOM 983 O ALA A 195 14.682 58.605 1.160 1.00 20.00 O +ATOM 984 N ALA A 196 15.023 59.984 -0.587 1.00 20.00 N +ATOM 985 CA ALA A 196 13.684 60.561 -0.536 1.00 20.00 C +ATOM 986 CB ALA A 196 13.645 61.915 -1.252 1.00 20.00 C +ATOM 987 C ALA A 196 12.665 59.603 -1.145 1.00 20.00 C +ATOM 988 O ALA A 196 12.979 58.439 -1.383 1.00 20.00 O +ATOM 989 N ALA A 197 11.446 60.088 -1.399 1.00 20.00 N +ATOM 990 CA ALA A 197 10.397 59.258 -1.981 1.00 20.00 C +ATOM 991 CB ALA A 197 9.467 58.733 -0.882 1.00 20.00 C +ATOM 992 C ALA A 197 9.602 60.015 -3.040 1.00 20.00 C +ATOM 993 O ALA A 197 9.464 61.234 -2.953 1.00 20.00 O +ATOM 994 N ALA A 198 9.080 59.299 -4.039 1.00 20.00 N +ATOM 995 CA ALA A 198 8.302 59.923 -5.104 1.00 20.00 C +ATOM 996 CB ALA A 198 8.578 59.287 -6.471 1.00 20.00 C +ATOM 997 C ALA A 198 6.825 59.802 -4.745 1.00 20.00 C +ATOM 998 O ALA A 198 5.966 60.205 -5.525 1.00 20.00 O +ATOM 999 N ALA A 199 6.527 59.248 -3.566 1.00 20.00 N +ATOM 1000 CA ALA A 199 5.147 59.084 -3.124 1.00 20.00 C +ATOM 1001 CB ALA A 199 5.069 58.090 -1.960 1.00 20.00 C +ATOM 1002 C ALA A 199 4.535 60.423 -2.726 1.00 20.00 C +ATOM 1003 O ALA A 199 5.262 61.365 -2.419 1.00 20.00 O +ATOM 1004 N ALA A 200 3.202 60.512 -2.732 1.00 20.00 N +ATOM 1005 CA ALA A 200 2.514 61.746 -2.370 1.00 20.00 C +ATOM 1006 CB ALA A 200 3.332 62.537 -1.343 1.00 20.00 C +ATOM 1007 C ALA A 200 2.233 62.598 -3.603 1.00 20.00 C +ATOM 1008 O ALA A 200 1.219 63.290 -3.656 1.00 20.00 O +ATOM 1009 N ALA A 201 3.127 62.550 -4.595 1.00 20.00 N +ATOM 1010 CA ALA A 201 2.955 63.325 -5.819 1.00 20.00 C +ATOM 1011 CA ALA B 1 -27.643 77.869 -29.342 1.00 20.00 C +ATOM 1012 C ALA B 1 -26.851 76.673 -29.860 1.00 20.00 C +ATOM 1013 O ALA B 1 -27.417 75.788 -30.496 1.00 20.00 O +ATOM 1014 N ALA B 2 -25.543 76.644 -29.590 1.00 20.00 N +ATOM 1015 CA ALA B 2 -24.692 75.547 -30.038 1.00 20.00 C +ATOM 1016 CB ALA B 2 -23.243 75.772 -29.592 1.00 20.00 C +ATOM 1017 C ALA B 2 -25.210 74.209 -29.523 1.00 20.00 C +ATOM 1018 O ALA B 2 -25.544 74.088 -28.346 1.00 20.00 O +ATOM 1019 N ALA B 3 -25.278 73.202 -30.399 1.00 20.00 N +ATOM 1020 CA ALA B 3 -25.759 71.880 -30.013 1.00 20.00 C +ATOM 1021 CB ALA B 3 -26.966 71.475 -30.864 1.00 20.00 C +ATOM 1022 C ALA B 3 -24.647 70.844 -30.127 1.00 20.00 C +ATOM 1023 O ALA B 3 -23.899 70.848 -31.102 1.00 20.00 O +ATOM 1024 N ALA B 4 -24.535 69.956 -29.135 1.00 20.00 N +ATOM 1025 CA ALA B 4 -23.506 68.921 -29.145 1.00 20.00 C +ATOM 1026 CB ALA B 4 -23.253 68.400 -27.727 1.00 20.00 C +ATOM 1027 C ALA B 4 -23.873 67.768 -30.072 1.00 20.00 C +ATOM 1028 O ALA B 4 -24.958 67.202 -29.952 1.00 20.00 O +ATOM 1029 N ALA B 5 -22.974 67.417 -30.996 1.00 20.00 N +ATOM 1030 CA ALA B 5 -23.224 66.327 -31.934 1.00 20.00 C +ATOM 1031 CB ALA B 5 -22.776 66.718 -33.346 1.00 20.00 C +ATOM 1032 C ALA B 5 -22.496 65.092 -31.415 1.00 20.00 C +ATOM 1033 O ALA B 5 -21.410 65.208 -30.851 1.00 20.00 O +ATOM 1034 N ALA B 6 -23.089 63.910 -31.603 1.00 20.00 N +ATOM 1035 CA ALA B 6 -22.479 62.665 -31.146 1.00 20.00 C +ATOM 1036 CB ALA B 6 -23.415 61.480 -31.404 1.00 20.00 C +ATOM 1037 C ALA B 6 -21.125 62.406 -31.798 1.00 20.00 C +ATOM 1038 O ALA B 6 -20.179 62.015 -31.119 1.00 20.00 O +ATOM 1039 N ALA B 7 -21.030 62.623 -33.113 1.00 20.00 N +ATOM 1040 CA ALA B 7 -19.781 62.407 -33.837 1.00 20.00 C +ATOM 1041 CB ALA B 7 -19.858 61.125 -34.673 1.00 20.00 C +ATOM 1042 C ALA B 7 -19.450 63.606 -34.719 1.00 20.00 C +ATOM 1043 O ALA B 7 -19.491 63.501 -35.943 1.00 20.00 O +ATOM 1044 N ALA B 8 -19.120 64.745 -34.103 1.00 20.00 N +ATOM 1045 CA ALA B 8 -18.785 65.952 -34.850 1.00 20.00 C +ATOM 1046 CB ALA B 8 -18.238 67.032 -33.912 1.00 20.00 C +ATOM 1047 C ALA B 8 -17.784 65.676 -35.967 1.00 20.00 C +ATOM 1048 O ALA B 8 -16.777 65.009 -35.742 1.00 20.00 O +ATOM 1049 N ALA B 9 -18.056 66.188 -37.171 1.00 20.00 N +ATOM 1050 CA ALA B 9 -17.166 65.985 -38.309 1.00 20.00 C +ATOM 1051 CB ALA B 9 -17.961 65.547 -39.544 1.00 20.00 C +ATOM 1052 C ALA B 9 -16.370 67.253 -38.599 1.00 20.00 C +ATOM 1053 O ALA B 9 -16.886 68.356 -38.432 1.00 20.00 O +ATOM 1054 N ALA B 10 -15.115 67.101 -39.031 1.00 20.00 N +ATOM 1055 CA ALA B 10 -14.266 68.247 -39.338 1.00 20.00 C +ATOM 1056 CB ALA B 10 -12.946 67.787 -39.965 1.00 20.00 C +ATOM 1057 C ALA B 10 -14.984 69.229 -40.258 1.00 20.00 C +ATOM 1058 O ALA B 10 -15.526 68.827 -41.285 1.00 20.00 O +ATOM 1059 N ALA B 11 -14.990 70.514 -39.894 1.00 20.00 N +ATOM 1060 CA ALA B 11 -15.648 71.536 -40.701 1.00 20.00 C +ATOM 1061 CB ALA B 11 -17.098 71.731 -40.247 1.00 20.00 C +ATOM 1062 C ALA B 11 -14.832 72.820 -40.593 1.00 20.00 C +ATOM 1063 O ALA B 11 -14.953 73.546 -39.608 1.00 20.00 O +ATOM 1064 N ALA B 12 -14.001 73.103 -41.600 1.00 20.00 N +ATOM 1065 CA ALA B 12 -13.174 74.305 -41.597 1.00 20.00 C +ATOM 1066 CB ALA B 12 -12.303 74.363 -42.857 1.00 20.00 C +ATOM 1067 C ALA B 12 -14.034 75.559 -41.480 1.00 20.00 C +ATOM 1068 O ALA B 12 -15.150 75.591 -41.995 1.00 20.00 O +ATOM 1069 N ALA B 13 -13.520 76.591 -40.806 1.00 20.00 N +ATOM 1070 CA ALA B 13 -14.258 77.838 -40.635 1.00 20.00 C +ATOM 1071 CB ALA B 13 -13.583 78.723 -39.582 1.00 20.00 C +ATOM 1072 C ALA B 13 -14.387 78.582 -41.960 1.00 20.00 C +ATOM 1073 O ALA B 13 -13.517 78.465 -42.820 1.00 20.00 O +ATOM 1074 N ALA B 14 -15.470 79.346 -42.128 1.00 20.00 N +ATOM 1075 CA ALA B 14 -15.692 80.101 -43.357 1.00 20.00 C +ATOM 1076 CB ALA B 14 -16.978 80.928 -43.256 1.00 20.00 C +ATOM 1077 C ALA B 14 -14.502 81.000 -43.674 1.00 20.00 C +ATOM 1078 O ALA B 14 -14.007 81.701 -42.795 1.00 20.00 O +ATOM 1079 N ALA B 15 -14.040 80.981 -44.928 1.00 20.00 N +ATOM 1080 CA ALA B 15 -12.906 81.802 -45.339 1.00 20.00 C +ATOM 1081 CB ALA B 15 -12.757 81.789 -46.864 1.00 20.00 C +ATOM 1082 C ALA B 15 -13.057 83.229 -44.824 1.00 20.00 C +ATOM 1083 O ALA B 15 -12.060 83.896 -44.555 1.00 20.00 O +ATOM 1084 N ALA B 16 -14.299 83.700 -44.684 1.00 20.00 N +ATOM 1085 CA ALA B 16 -14.556 85.052 -44.198 1.00 20.00 C +ATOM 1086 CB ALA B 16 -16.036 85.412 -44.366 1.00 20.00 C +ATOM 1087 C ALA B 16 -14.134 85.214 -42.742 1.00 20.00 C +ATOM 1088 O ALA B 16 -13.961 86.336 -42.272 1.00 20.00 O +ATOM 1089 N ALA B 17 -13.968 84.098 -42.027 1.00 20.00 N +ATOM 1090 CA ALA B 17 -13.566 84.138 -40.625 1.00 20.00 C +ATOM 1091 CB ALA B 17 -13.997 82.858 -39.903 1.00 20.00 C +ATOM 1092 C ALA B 17 -12.059 84.347 -40.515 1.00 20.00 C +ATOM 1093 O ALA B 17 -11.551 84.606 -39.426 1.00 20.00 O +ATOM 1094 N ALA B 18 -11.344 84.236 -41.638 1.00 20.00 N +ATOM 1095 CA ALA B 18 -9.896 84.416 -41.645 1.00 20.00 C +ATOM 1096 CB ALA B 18 -9.265 83.662 -42.819 1.00 20.00 C +ATOM 1097 C ALA B 18 -9.538 85.898 -41.699 1.00 20.00 C +ATOM 1098 O ALA B 18 -8.383 86.261 -41.486 1.00 20.00 O +ATOM 1099 N ALA B 19 -10.523 86.754 -41.983 1.00 20.00 N +ATOM 1100 CA ALA B 19 -10.290 88.192 -42.060 1.00 20.00 C +ATOM 1101 CB ALA B 19 -11.066 88.802 -43.233 1.00 20.00 C +ATOM 1102 C ALA B 19 -10.672 88.869 -40.748 1.00 20.00 C +ATOM 1103 O ALA B 19 -11.399 88.289 -39.944 1.00 20.00 O +ATOM 1104 N ALA B 20 -10.185 90.094 -40.528 1.00 20.00 N +ATOM 1105 CA ALA B 20 -10.488 90.831 -39.306 1.00 20.00 C +ATOM 1106 CB ALA B 20 -9.789 92.195 -39.313 1.00 20.00 C +ATOM 1107 C ALA B 20 -11.990 91.008 -39.115 1.00 20.00 C +ATOM 1108 O ALA B 20 -12.733 91.067 -40.092 1.00 20.00 O +ATOM 1109 N ALA B 21 -12.441 91.093 -37.860 1.00 20.00 N +ATOM 1110 CA ALA B 21 -13.859 91.263 -37.564 1.00 20.00 C +ATOM 1111 CB ALA B 21 -14.430 89.997 -36.917 1.00 20.00 C +ATOM 1112 C ALA B 21 -14.092 92.474 -36.667 1.00 20.00 C +ATOM 1113 O ALA B 21 -13.316 92.716 -35.745 1.00 20.00 O +ATOM 1114 N ALA B 22 -15.157 93.235 -36.933 1.00 20.00 N +ATOM 1115 CA ALA B 22 -15.473 94.417 -36.138 1.00 20.00 C +ATOM 1116 CB ALA B 22 -16.908 94.880 -36.407 1.00 20.00 C +ATOM 1117 C ALA B 22 -15.264 94.144 -34.652 1.00 20.00 C +ATOM 1118 O ALA B 22 -14.376 94.728 -34.037 1.00 20.00 O +ATOM 1119 N ALA B 23 -16.080 93.258 -34.074 1.00 20.00 N +ATOM 1120 CA ALA B 23 -15.968 92.922 -32.659 1.00 20.00 C +ATOM 1121 CB ALA B 23 -17.196 92.132 -32.193 1.00 20.00 C +ATOM 1122 C ALA B 23 -14.688 92.139 -32.391 1.00 20.00 C +ATOM 1123 O ALA B 23 -14.745 90.949 -32.086 1.00 20.00 O +ATOM 1124 N ALA B 24 -13.532 92.800 -32.502 1.00 20.00 N +ATOM 1125 CA ALA B 24 -12.249 92.147 -32.268 1.00 20.00 C +ATOM 1126 CB ALA B 24 -11.127 92.880 -33.011 1.00 20.00 C +ATOM 1127 C ALA B 24 -11.892 92.040 -30.789 1.00 20.00 C +ATOM 1128 O ALA B 24 -12.199 92.944 -30.014 1.00 20.00 O +ATOM 1129 N ALA B 25 -11.246 90.939 -30.395 1.00 20.00 N +ATOM 1130 CA ALA B 25 -10.857 90.736 -29.003 1.00 20.00 C +ATOM 1131 CB ALA B 25 -10.549 89.258 -28.740 1.00 20.00 C +ATOM 1132 C ALA B 25 -9.661 91.612 -28.650 1.00 20.00 C +ATOM 1133 O ALA B 25 -9.031 92.183 -29.538 1.00 20.00 O +ATOM 1134 N ALA B 26 -9.344 91.721 -27.356 1.00 20.00 N +ATOM 1135 CA ALA B 26 -8.219 92.534 -26.908 1.00 20.00 C +ATOM 1136 CB ALA B 26 -8.638 93.444 -25.749 1.00 20.00 C +ATOM 1137 C ALA B 26 -7.041 91.653 -26.503 1.00 20.00 C +ATOM 1138 O ALA B 26 -7.058 91.058 -25.428 1.00 20.00 O +ATOM 1139 N ALA B 27 -6.019 91.568 -27.359 1.00 20.00 N +ATOM 1140 CA ALA B 27 -4.843 90.754 -27.070 1.00 20.00 C +ATOM 1141 CB ALA B 27 -4.218 90.232 -28.368 1.00 20.00 C +ATOM 1142 C ALA B 27 -3.942 91.687 -26.268 1.00 20.00 C +ATOM 1143 O ALA B 27 -3.770 92.846 -26.638 1.00 20.00 O +ATOM 1144 N ALA B 28 -3.367 91.186 -25.171 1.00 20.00 N +ATOM 1145 CA ALA B 28 -2.487 91.991 -24.331 1.00 20.00 C +ATOM 1146 CB ALA B 28 -3.185 92.360 -23.018 1.00 20.00 C +ATOM 1147 C ALA B 28 -1.159 91.307 -24.025 1.00 20.00 C +ATOM 1148 O ALA B 28 -1.136 90.281 -23.348 1.00 20.00 O +ATOM 1149 N ALA B 29 -0.053 91.870 -24.520 1.00 20.00 N +ATOM 1150 CA ALA B 29 1.268 91.298 -24.287 1.00 20.00 C +ATOM 1151 CB ALA B 29 2.310 91.959 -25.196 1.00 20.00 C +ATOM 1152 C ALA B 29 1.562 91.488 -22.803 1.00 20.00 C +ATOM 1153 O ALA B 29 1.555 92.616 -22.313 1.00 20.00 O +ATOM 1154 N ALA B 30 1.820 90.391 -22.086 1.00 20.00 N +ATOM 1155 CA ALA B 30 2.113 90.460 -20.658 1.00 20.00 C +ATOM 1156 CB ALA B 30 0.979 89.830 -19.844 1.00 20.00 C +ATOM 1157 C ALA B 30 3.447 89.774 -20.380 1.00 20.00 C +ATOM 1158 O ALA B 30 3.765 88.766 -21.008 1.00 20.00 O +ATOM 1159 N ALA B 31 4.227 90.315 -19.441 1.00 20.00 N +ATOM 1160 CA ALA B 31 5.523 89.739 -19.095 1.00 20.00 C +ATOM 1161 CB ALA B 31 6.660 90.663 -19.544 1.00 20.00 C +ATOM 1162 C ALA B 31 5.608 89.465 -17.598 1.00 20.00 C +ATOM 1163 O ALA B 31 5.192 90.297 -16.794 1.00 20.00 O +ATOM 1164 N ALA B 32 6.146 88.302 -17.219 1.00 20.00 N +ATOM 1165 CA ALA B 32 6.275 87.939 -15.812 1.00 20.00 C +ATOM 1166 CB ALA B 32 5.047 87.153 -15.343 1.00 20.00 C +ATOM 1167 C ALA B 32 7.549 87.136 -15.569 1.00 20.00 C +ATOM 1168 O ALA B 32 8.176 86.671 -16.518 1.00 20.00 O +ATOM 1169 N ALA B 33 7.934 86.972 -14.300 1.00 20.00 N +ATOM 1170 CA ALA B 33 9.137 86.222 -13.955 1.00 20.00 C +ATOM 1171 CB ALA B 33 10.187 87.145 -13.329 1.00 20.00 C +ATOM 1172 C ALA B 33 8.810 85.066 -13.015 1.00 20.00 C +ATOM 1173 O ALA B 33 8.220 85.280 -11.959 1.00 20.00 O +ATOM 1174 N ALA B 34 9.190 83.843 -13.396 1.00 20.00 N +ATOM 1175 CA ALA B 34 8.927 82.668 -12.572 1.00 20.00 C +ATOM 1176 CB ALA B 34 7.725 81.888 -13.115 1.00 20.00 C +ATOM 1177 C ALA B 34 10.151 81.762 -12.485 1.00 20.00 C +ATOM 1178 O ALA B 34 11.275 82.225 -12.666 1.00 20.00 O +ATOM 1179 N ALA B 35 9.937 80.472 -12.208 1.00 20.00 N +ATOM 1180 CA ALA B 35 11.036 79.519 -12.101 1.00 20.00 C +ATOM 1181 CB ALA B 35 10.505 78.118 -11.781 1.00 20.00 C +ATOM 1182 C ALA B 35 11.865 79.502 -13.381 1.00 20.00 C +ATOM 1183 O ALA B 35 13.080 79.324 -13.327 1.00 20.00 O +ATOM 1184 N ALA B 36 11.214 79.687 -14.533 1.00 20.00 N +ATOM 1185 CA ALA B 36 11.909 79.690 -15.815 1.00 20.00 C +ATOM 1186 CB ALA B 36 10.968 79.246 -16.940 1.00 20.00 C +ATOM 1187 C ALA B 36 12.496 81.064 -16.120 1.00 20.00 C +ATOM 1188 O ALA B 36 12.987 81.294 -17.223 1.00 20.00 O +ATOM 1189 N ALA B 37 12.447 81.979 -15.147 1.00 20.00 N +ATOM 1190 CA ALA B 37 12.980 83.324 -15.333 1.00 20.00 C +ATOM 1191 CB ALA B 37 14.250 83.288 -16.189 1.00 20.00 C +ATOM 1192 C ALA B 37 11.959 84.269 -15.958 1.00 20.00 C +ATOM 1193 O ALA B 37 10.765 83.977 -15.954 1.00 20.00 O +ATOM 1194 N ALA B 38 12.423 85.400 -16.496 1.00 20.00 N +ATOM 1195 CA ALA B 38 11.534 86.374 -17.120 1.00 20.00 C +ATOM 1196 CB ALA B 38 12.255 87.710 -17.325 1.00 20.00 C +ATOM 1197 C ALA B 38 10.991 85.848 -18.445 1.00 20.00 C +ATOM 1198 O ALA B 38 11.765 85.537 -19.348 1.00 20.00 O +ATOM 1199 N ALA B 39 9.664 85.747 -18.565 1.00 20.00 N +ATOM 1200 CA ALA B 39 9.040 85.257 -19.789 1.00 20.00 C +ATOM 1201 CB ALA B 39 8.675 83.775 -19.651 1.00 20.00 C +ATOM 1202 C ALA B 39 7.808 86.083 -20.143 1.00 20.00 C +ATOM 1203 O ALA B 39 7.259 86.769 -19.284 1.00 20.00 O +ATOM 1204 N ALA B 40 7.372 86.019 -21.404 1.00 20.00 N +ATOM 1205 CA ALA B 40 6.203 86.769 -21.850 1.00 20.00 C +ATOM 1206 CB ALA B 40 6.579 87.733 -22.980 1.00 20.00 C +ATOM 1207 C ALA B 40 5.060 85.869 -22.306 1.00 20.00 C +ATOM 1208 O ALA B 40 5.288 84.715 -22.660 1.00 20.00 O +ATOM 1209 N ALA B 41 3.830 86.392 -22.298 1.00 20.00 N +ATOM 1210 CA ALA B 41 2.666 85.618 -22.715 1.00 20.00 C +ATOM 1211 CB ALA B 41 2.073 84.854 -21.527 1.00 20.00 C +ATOM 1212 C ALA B 41 1.628 86.537 -23.351 1.00 20.00 C +ATOM 1213 O ALA B 41 1.633 87.739 -23.100 1.00 20.00 O +ATOM 1214 N ALA B 42 0.738 85.975 -24.174 1.00 20.00 N +ATOM 1215 CA ALA B 42 -0.298 86.761 -24.835 1.00 20.00 C +ATOM 1216 CB ALA B 42 -0.267 86.529 -26.349 1.00 20.00 C +ATOM 1217 C ALA B 42 -1.678 86.437 -24.273 1.00 20.00 C +ATOM 1218 O ALA B 42 -2.073 85.274 -24.240 1.00 20.00 O +ATOM 1219 N ALA B 43 -2.412 87.461 -23.829 1.00 20.00 N +ATOM 1220 CA ALA B 43 -3.746 87.263 -23.271 1.00 20.00 C +ATOM 1221 CB ALA B 43 -3.867 87.950 -21.907 1.00 20.00 C +ATOM 1222 C ALA B 43 -4.819 87.774 -24.227 1.00 20.00 C +ATOM 1223 O ALA B 43 -4.827 88.954 -24.570 1.00 20.00 O +ATOM 1224 N ALA B 44 -5.723 86.890 -24.658 1.00 20.00 N +ATOM 1225 CA ALA B 44 -6.792 87.273 -25.574 1.00 20.00 C +ATOM 1226 CB ALA B 44 -7.023 86.178 -26.620 1.00 20.00 C +ATOM 1227 C ALA B 44 -8.100 87.579 -24.852 1.00 20.00 C +ATOM 1228 O ALA B 44 -8.716 86.680 -24.284 1.00 20.00 O +ATOM 1229 N ALA B 45 -8.527 88.845 -24.872 1.00 20.00 N +ATOM 1230 CA ALA B 45 -9.765 89.247 -24.214 1.00 20.00 C +ATOM 1231 CB ALA B 45 -9.586 90.594 -23.506 1.00 20.00 C +ATOM 1232 C ALA B 45 -10.868 89.292 -25.266 1.00 20.00 C +ATOM 1233 O ALA B 45 -10.662 89.828 -26.352 1.00 20.00 O +ATOM 1234 N ALA B 46 -12.038 88.731 -24.948 1.00 20.00 N +ATOM 1235 CA ALA B 46 -13.161 88.718 -25.880 1.00 20.00 C +ATOM 1236 CB ALA B 46 -14.161 87.620 -25.505 1.00 20.00 C +ATOM 1237 C ALA B 46 -13.856 90.074 -25.933 1.00 20.00 C +ATOM 1238 O ALA B 46 -13.896 90.786 -24.931 1.00 20.00 O +ATOM 1239 N ALA B 47 -14.404 90.435 -27.097 1.00 20.00 N +ATOM 1240 CA ALA B 47 -15.094 91.711 -27.257 1.00 20.00 C +ATOM 1241 CB ALA B 47 -15.671 91.838 -28.670 1.00 20.00 C +ATOM 1242 C ALA B 47 -16.191 91.867 -26.209 1.00 20.00 C +ATOM 1243 O ALA B 47 -17.006 90.964 -26.031 1.00 20.00 O +ATOM 1244 N ALA B 48 -16.215 93.008 -25.516 1.00 20.00 N +ATOM 1245 CA ALA B 48 -17.222 93.261 -24.490 1.00 20.00 C +ATOM 1246 CB ALA B 48 -18.581 92.699 -24.919 1.00 20.00 C +ATOM 1247 C ALA B 48 -16.792 92.670 -23.152 1.00 20.00 C +ATOM 1248 O ALA B 48 -17.614 92.526 -22.249 1.00 20.00 O +ATOM 1249 N ALA B 49 -15.508 92.328 -23.019 1.00 20.00 N +ATOM 1250 CA ALA B 49 -14.990 91.755 -21.782 1.00 20.00 C +ATOM 1251 CB ALA B 49 -13.463 91.645 -21.835 1.00 20.00 C +ATOM 1252 C ALA B 49 -15.425 92.574 -20.571 1.00 20.00 C +ATOM 1253 O ALA B 49 -15.229 93.787 -20.546 1.00 20.00 O +ATOM 1254 N ALA B 50 -16.014 91.918 -19.568 1.00 20.00 N +ATOM 1255 CA ALA B 50 -16.469 92.605 -18.364 1.00 20.00 C +ATOM 1256 CB ALA B 50 -17.989 92.483 -18.216 1.00 20.00 C +ATOM 1257 C ALA B 50 -15.742 92.035 -17.151 1.00 20.00 C +ATOM 1258 O ALA B 50 -15.986 90.893 -16.766 1.00 20.00 O +ATOM 1259 N ALA B 51 -14.851 92.825 -16.546 1.00 20.00 N +ATOM 1260 CA ALA B 51 -14.100 92.379 -15.377 1.00 20.00 C +ATOM 1261 CB ALA B 51 -13.103 93.455 -14.934 1.00 20.00 C +ATOM 1262 C ALA B 51 -15.019 92.008 -14.217 1.00 20.00 C +ATOM 1263 O ALA B 51 -14.564 91.438 -13.228 1.00 20.00 O +ATOM 1264 N ALA B 52 -16.310 92.330 -14.335 1.00 20.00 N +ATOM 1265 CA ALA B 52 -17.276 92.021 -13.285 1.00 20.00 C +ATOM 1266 CB ALA B 52 -18.334 93.125 -13.184 1.00 20.00 C +ATOM 1267 C ALA B 52 -17.930 90.666 -13.534 1.00 20.00 C +ATOM 1268 O ALA B 52 -18.707 90.196 -12.706 1.00 20.00 O +ATOM 1269 N ALA B 53 -17.621 90.038 -14.672 1.00 20.00 N +ATOM 1270 CA ALA B 53 -18.190 88.738 -15.009 1.00 20.00 C +ATOM 1271 CB ALA B 53 -18.968 88.816 -16.326 1.00 20.00 C +ATOM 1272 C ALA B 53 -17.104 87.670 -15.090 1.00 20.00 C +ATOM 1273 O ALA B 53 -15.963 87.976 -15.430 1.00 20.00 O +ATOM 1274 N ALA B 54 -17.454 86.419 -14.778 1.00 20.00 N +ATOM 1275 CA ALA B 54 -16.494 85.321 -14.821 1.00 20.00 C +ATOM 1276 CB ALA B 54 -16.831 84.268 -13.761 1.00 20.00 C +ATOM 1277 C ALA B 54 -16.449 84.692 -16.210 1.00 20.00 C +ATOM 1278 O ALA B 54 -17.491 84.346 -16.763 1.00 20.00 O +ATOM 1279 N ALA B 55 -15.248 84.542 -16.774 1.00 20.00 N +ATOM 1280 CA ALA B 55 -15.092 83.952 -18.099 1.00 20.00 C +ATOM 1281 CB ALA B 55 -14.529 84.981 -19.085 1.00 20.00 C +ATOM 1282 C ALA B 55 -14.208 82.709 -18.108 1.00 20.00 C +ATOM 1283 O ALA B 55 -13.223 82.649 -17.375 1.00 20.00 O +ATOM 1284 N ALA B 56 -14.554 81.719 -18.935 1.00 20.00 N +ATOM 1285 CA ALA B 56 -13.778 80.486 -19.023 1.00 20.00 C +ATOM 1286 CB ALA B 56 -14.454 79.490 -19.971 1.00 20.00 C +ATOM 1287 C ALA B 56 -12.366 80.839 -19.476 1.00 20.00 C +ATOM 1288 O ALA B 56 -12.167 81.852 -20.143 1.00 20.00 O +ATOM 1289 N ALA B 57 -11.384 80.007 -19.116 1.00 20.00 N +ATOM 1290 CA ALA B 57 -9.996 80.250 -19.496 1.00 20.00 C +ATOM 1291 CB ALA B 57 -9.148 80.572 -18.262 1.00 20.00 C +ATOM 1292 C ALA B 57 -9.395 79.067 -20.249 1.00 20.00 C +ATOM 1293 O ALA B 57 -9.456 77.937 -19.771 1.00 20.00 O +ATOM 1294 N ALA B 58 -8.815 79.323 -21.425 1.00 20.00 N +ATOM 1295 CA ALA B 58 -8.210 78.266 -22.228 1.00 20.00 C +ATOM 1296 CB ALA B 58 -9.055 77.984 -23.474 1.00 20.00 C +ATOM 1297 C ALA B 58 -6.781 78.626 -22.620 1.00 20.00 C +ATOM 1298 O ALA B 58 -6.554 79.664 -23.238 1.00 20.00 O +ATOM 1299 N ALA B 59 -5.816 77.773 -22.263 1.00 20.00 N +ATOM 1300 CA ALA B 59 -4.416 78.021 -22.588 1.00 20.00 C +ATOM 1301 CB ALA B 59 -3.521 77.717 -21.382 1.00 20.00 C +ATOM 1302 C ALA B 59 -3.976 77.203 -23.798 1.00 20.00 C +ATOM 1303 O ALA B 59 -4.193 75.994 -23.836 1.00 20.00 O +ATOM 1304 N ALA B 60 -3.360 77.858 -24.786 1.00 20.00 N +ATOM 1305 CA ALA B 60 -2.899 77.172 -25.989 1.00 20.00 C +ATOM 1306 CB ALA B 60 -3.691 77.641 -27.214 1.00 20.00 C +ATOM 1307 C ALA B 60 -1.405 77.380 -26.213 1.00 20.00 C +ATOM 1308 O ALA B 60 -0.933 78.515 -26.211 1.00 20.00 O +ATOM 1309 N ALA B 61 -0.659 76.289 -26.406 1.00 20.00 N +ATOM 1310 CA ALA B 61 0.781 76.374 -26.629 1.00 20.00 C +ATOM 1311 CB ALA B 61 1.522 75.351 -25.763 1.00 20.00 C +ATOM 1312 C ALA B 61 1.135 76.176 -28.099 1.00 20.00 C +ATOM 1313 O ALA B 61 0.450 75.438 -28.804 1.00 20.00 O +ATOM 1314 N ALA B 62 2.203 76.831 -28.564 1.00 20.00 N +ATOM 1315 CA ALA B 62 2.630 76.713 -29.954 1.00 20.00 C +ATOM 1316 CB ALA B 62 3.525 77.893 -30.345 1.00 20.00 C +ATOM 1317 C ALA B 62 3.354 75.397 -30.218 1.00 20.00 C +ATOM 1318 O ALA B 62 3.451 74.557 -29.326 1.00 20.00 O +ATOM 1319 N ALA B 63 3.862 75.214 -31.440 1.00 20.00 N +ATOM 1320 CA ALA B 63 4.574 73.992 -31.799 1.00 20.00 C +ATOM 1321 CB ALA B 63 4.193 73.542 -33.213 1.00 20.00 C +ATOM 1322 C ALA B 63 6.080 74.200 -31.681 1.00 20.00 C +ATOM 1323 O ALA B 63 6.524 75.261 -31.247 1.00 20.00 O +ATOM 1324 N ALA B 64 6.868 73.192 -32.065 1.00 20.00 N +ATOM 1325 CA ALA B 64 8.322 73.285 -31.994 1.00 20.00 C +ATOM 1326 CB ALA B 64 8.970 71.982 -32.474 1.00 20.00 C +ATOM 1327 C ALA B 64 8.834 74.469 -32.807 1.00 20.00 C +ATOM 1328 O ALA B 64 8.373 74.696 -33.924 1.00 20.00 O +ATOM 1329 N ALA B 65 9.785 75.226 -32.251 1.00 20.00 N +ATOM 1330 CA ALA B 65 10.345 76.383 -32.941 1.00 20.00 C +ATOM 1331 CB ALA B 65 10.806 75.998 -34.351 1.00 20.00 C +ATOM 1332 C ALA B 65 9.461 77.617 -33.086 1.00 20.00 C +ATOM 1333 O ALA B 65 9.862 78.592 -33.716 1.00 20.00 O +ATOM 1334 N ALA B 66 8.258 77.578 -32.505 1.00 20.00 N +ATOM 1335 CA ALA B 66 7.333 78.703 -32.581 1.00 20.00 C +ATOM 1336 CB ALA B 66 5.887 78.207 -32.675 1.00 20.00 C +ATOM 1337 C ALA B 66 7.524 79.617 -31.375 1.00 20.00 C +ATOM 1338 O ALA B 66 8.502 79.475 -30.644 1.00 20.00 O +ATOM 1339 N ALA B 67 6.595 80.553 -31.164 1.00 20.00 N +ATOM 1340 CA ALA B 67 6.680 81.479 -30.040 1.00 20.00 C +ATOM 1341 CB ALA B 67 7.344 82.790 -30.472 1.00 20.00 C +ATOM 1342 C ALA B 67 5.300 81.743 -29.447 1.00 20.00 C +ATOM 1343 O ALA B 67 4.316 81.156 -29.891 1.00 20.00 O +ATOM 1344 N ALA B 68 5.224 82.625 -28.447 1.00 20.00 N +ATOM 1345 CA ALA B 68 3.954 82.952 -27.808 1.00 20.00 C +ATOM 1346 CB ALA B 68 4.182 83.436 -26.372 1.00 20.00 C +ATOM 1347 C ALA B 68 3.190 83.999 -28.611 1.00 20.00 C +ATOM 1348 O ALA B 68 2.115 84.428 -28.198 1.00 20.00 O +ATOM 1349 N ALA B 69 3.740 84.412 -29.756 1.00 20.00 N +ATOM 1350 CA ALA B 69 3.094 85.410 -30.601 1.00 20.00 C +ATOM 1351 CB ALA B 69 3.969 86.662 -30.723 1.00 20.00 C +ATOM 1352 C ALA B 69 2.771 84.859 -31.986 1.00 20.00 C +ATOM 1353 O ALA B 69 2.244 85.581 -32.829 1.00 20.00 O +ATOM 1354 N ALA B 70 3.086 83.583 -32.224 1.00 20.00 N +ATOM 1355 CA ALA B 70 2.821 82.955 -33.514 1.00 20.00 C +ATOM 1356 CB ALA B 70 3.626 81.660 -33.659 1.00 20.00 C +ATOM 1357 C ALA B 70 1.331 82.683 -33.694 1.00 20.00 C +ATOM 1358 O ALA B 70 0.784 82.936 -34.765 1.00 20.00 O +ATOM 1359 N ALA B 71 0.674 82.170 -32.651 1.00 20.00 N +ATOM 1360 CA ALA B 71 -0.753 81.872 -32.715 1.00 20.00 C +ATOM 1361 CB ALA B 71 -1.258 81.356 -31.363 1.00 20.00 C +ATOM 1362 C ALA B 71 -1.559 83.091 -33.152 1.00 20.00 C +ATOM 1363 O ALA B 71 -2.424 82.981 -34.017 1.00 20.00 O +ATOM 1364 N ALA B 72 -1.277 84.254 -32.556 1.00 20.00 N +ATOM 1365 CA ALA B 72 -1.987 85.482 -32.898 1.00 20.00 C +ATOM 1366 CB ALA B 72 -2.121 86.387 -31.670 1.00 20.00 C +ATOM 1367 C ALA B 72 -1.299 86.231 -34.035 1.00 20.00 C +ATOM 1368 O ALA B 72 -1.755 87.301 -34.432 1.00 20.00 O +ATOM 1369 N ALA B 73 -0.204 85.674 -34.559 1.00 20.00 N +ATOM 1370 CA ALA B 73 0.531 86.306 -35.649 1.00 20.00 C +ATOM 1371 CB ALA B 73 1.926 85.689 -35.788 1.00 20.00 C +ATOM 1372 C ALA B 73 -0.237 86.197 -36.962 1.00 20.00 C +ATOM 1373 O ALA B 73 -1.262 85.521 -37.021 1.00 20.00 O +ATOM 1374 N ALA B 74 0.254 86.858 -38.013 1.00 20.00 N +ATOM 1375 CA ALA B 74 -0.402 86.822 -39.316 1.00 20.00 C +ATOM 1376 CB ALA B 74 0.199 87.875 -40.252 1.00 20.00 C +ATOM 1377 C ALA B 74 -0.307 85.435 -39.944 1.00 20.00 C +ATOM 1378 O ALA B 74 -0.878 85.199 -41.006 1.00 20.00 O +ATOM 1379 N ALA B 75 0.411 84.517 -39.291 1.00 20.00 N +ATOM 1380 CA ALA B 75 0.567 83.160 -39.802 1.00 20.00 C +ATOM 1381 CB ALA B 75 1.853 82.525 -39.263 1.00 20.00 C +ATOM 1382 C ALA B 75 -0.643 82.301 -39.451 1.00 20.00 C +ATOM 1383 O ALA B 75 -1.038 81.442 -40.236 1.00 20.00 O +ATOM 1384 N ALA B 76 -1.233 82.529 -38.274 1.00 20.00 N +ATOM 1385 CA ALA B 76 -2.397 81.765 -37.839 1.00 20.00 C +ATOM 1386 CB ALA B 76 -2.172 81.190 -36.437 1.00 20.00 C +ATOM 1387 C ALA B 76 -3.680 82.589 -37.857 1.00 20.00 C +ATOM 1388 O ALA B 76 -4.723 82.096 -38.282 1.00 20.00 O +ATOM 1389 N ALA B 77 -3.609 83.840 -37.396 1.00 20.00 N +ATOM 1390 CA ALA B 77 -4.776 84.715 -37.367 1.00 20.00 C +ATOM 1391 CB ALA B 77 -5.215 85.076 -38.790 1.00 20.00 C +ATOM 1392 C ALA B 77 -5.927 84.072 -36.600 1.00 20.00 C +ATOM 1393 O ALA B 77 -7.089 84.373 -36.865 1.00 20.00 O +ATOM 1394 N ALA B 78 -5.609 83.188 -35.650 1.00 20.00 N +ATOM 1395 CA ALA B 78 -6.632 82.514 -34.857 1.00 20.00 C +ATOM 1396 CB ALA B 78 -5.989 81.557 -33.849 1.00 20.00 C +ATOM 1397 C ALA B 78 -7.523 83.525 -34.143 1.00 20.00 C +ATOM 1398 O ALA B 78 -8.636 83.192 -33.743 1.00 20.00 O +ATOM 1399 N ALA B 79 -7.038 84.760 -33.981 1.00 20.00 N +ATOM 1400 CA ALA B 79 -7.807 85.804 -33.312 1.00 20.00 C +ATOM 1401 CB ALA B 79 -6.939 87.044 -33.076 1.00 20.00 C +ATOM 1402 C ALA B 79 -9.052 86.165 -34.115 1.00 20.00 C +ATOM 1403 O ALA B 79 -10.113 86.393 -33.537 1.00 20.00 O +ATOM 1404 N ALA B 80 -8.928 86.217 -35.444 1.00 20.00 N +ATOM 1405 CA ALA B 80 -10.056 86.553 -36.306 1.00 20.00 C +ATOM 1406 CB ALA B 80 -9.596 86.709 -37.759 1.00 20.00 C +ATOM 1407 C ALA B 80 -11.156 85.502 -36.202 1.00 20.00 C +ATOM 1408 O ALA B 80 -12.335 85.845 -36.165 1.00 20.00 O +ATOM 1409 N ALA B 81 -10.775 84.222 -36.154 1.00 20.00 N +ATOM 1410 CA ALA B 81 -11.745 83.137 -36.053 1.00 20.00 C +ATOM 1411 CB ALA B 81 -11.050 81.779 -36.190 1.00 20.00 C +ATOM 1412 C ALA B 81 -12.518 83.215 -34.741 1.00 20.00 C +ATOM 1413 O ALA B 81 -13.727 82.994 -34.724 1.00 20.00 O +ATOM 1414 N ALA B 82 -11.826 83.527 -33.642 1.00 20.00 N +ATOM 1415 CA ALA B 82 -12.466 83.628 -32.335 1.00 20.00 C +ATOM 1416 CB ALA B 82 -11.419 83.828 -31.235 1.00 20.00 C +ATOM 1417 C ALA B 82 -13.489 84.760 -32.314 1.00 20.00 C +ATOM 1418 O ALA B 82 -14.569 84.603 -31.750 1.00 20.00 O +ATOM 1419 N ALA B 83 -13.152 85.899 -32.926 1.00 20.00 N +ATOM 1420 CA ALA B 83 -14.055 87.044 -32.965 1.00 20.00 C +ATOM 1421 CB ALA B 83 -13.355 88.262 -33.575 1.00 20.00 C +ATOM 1422 C ALA B 83 -15.325 86.711 -33.741 1.00 20.00 C +ATOM 1423 O ALA B 83 -16.417 87.099 -33.332 1.00 20.00 O +ATOM 1424 N ALA B 84 -15.187 85.995 -34.861 1.00 20.00 N +ATOM 1425 CA ALA B 84 -16.336 85.622 -35.679 1.00 20.00 C +ATOM 1426 CB ALA B 84 -15.884 85.027 -37.016 1.00 20.00 C +ATOM 1427 C ALA B 84 -17.229 84.640 -34.929 1.00 20.00 C +ATOM 1428 O ALA B 84 -18.443 84.826 -34.877 1.00 20.00 O +ATOM 1429 N ALA B 85 -16.634 83.594 -34.348 1.00 20.00 N +ATOM 1430 CA ALA B 85 -17.394 82.594 -33.606 1.00 20.00 C +ATOM 1431 CB ALA B 85 -16.476 81.465 -33.127 1.00 20.00 C +ATOM 1432 C ALA B 85 -18.125 83.227 -32.427 1.00 20.00 C +ATOM 1433 O ALA B 85 -19.326 83.020 -32.263 1.00 20.00 O +ATOM 1434 N ALA B 86 -17.407 83.999 -31.606 1.00 20.00 N +ATOM 1435 CA ALA B 86 -18.008 84.653 -30.449 1.00 20.00 C +ATOM 1436 CB ALA B 86 -16.935 85.354 -29.609 1.00 20.00 C +ATOM 1437 C ALA B 86 -19.085 85.643 -30.878 1.00 20.00 C +ATOM 1438 O ALA B 86 -20.147 85.704 -30.261 1.00 20.00 O +ATOM 1439 N ALA B 87 -18.817 86.418 -31.932 1.00 20.00 N +ATOM 1440 CA ALA B 87 -19.777 87.399 -32.426 1.00 20.00 C +ATOM 1441 CB ALA B 87 -19.124 88.318 -33.463 1.00 20.00 C +ATOM 1442 C ALA B 87 -21.005 86.713 -33.016 1.00 20.00 C +ATOM 1443 O ALA B 87 -22.129 87.154 -32.784 1.00 20.00 O +ATOM 1444 N ALA B 88 -20.796 85.635 -33.776 1.00 20.00 N +ATOM 1445 CA ALA B 88 -21.899 84.903 -34.389 1.00 20.00 C +ATOM 1446 CB ALA B 88 -21.385 84.090 -35.582 1.00 20.00 C +ATOM 1447 C ALA B 88 -22.620 83.999 -33.394 1.00 20.00 C +ATOM 1448 O ALA B 88 -23.625 83.381 -33.739 1.00 20.00 O +ATOM 1449 N ALA B 89 -22.111 83.920 -32.162 1.00 20.00 N +ATOM 1450 CA ALA B 89 -22.721 83.085 -31.132 1.00 20.00 C +ATOM 1451 CB ALA B 89 -24.231 83.333 -31.206 1.00 20.00 C +ATOM 1452 C ALA B 89 -22.421 81.590 -31.149 1.00 20.00 C +ATOM 1453 O ALA B 89 -23.082 80.821 -30.455 1.00 20.00 O +ATOM 1454 N ALA B 90 -21.426 81.176 -31.939 1.00 20.00 N +ATOM 1455 CA ALA B 90 -21.056 79.768 -32.031 1.00 20.00 C +ATOM 1456 CB ALA B 90 -20.334 79.484 -33.352 1.00 20.00 C +ATOM 1457 C ALA B 90 -20.189 79.355 -30.846 1.00 20.00 C +ATOM 1458 O ALA B 90 -20.195 78.191 -30.453 1.00 20.00 O +ATOM 1459 N ALA B 91 -19.442 80.305 -30.276 1.00 20.00 N +ATOM 1460 CA ALA B 91 -18.577 80.020 -29.136 1.00 20.00 C +ATOM 1461 CB ALA B 91 -17.100 79.999 -29.544 1.00 20.00 C +ATOM 1462 C ALA B 91 -18.817 81.058 -28.046 1.00 20.00 C +ATOM 1463 O ALA B 91 -18.799 82.256 -28.321 1.00 20.00 O +ATOM 1464 N ALA B 92 -19.044 80.605 -26.810 1.00 20.00 N +ATOM 1465 CA ALA B 92 -19.286 81.512 -25.693 1.00 20.00 C +ATOM 1466 CB ALA B 92 -19.718 80.731 -24.448 1.00 20.00 C +ATOM 1467 C ALA B 92 -18.050 82.354 -25.396 1.00 20.00 C +ATOM 1468 O ALA B 92 -16.927 81.887 -25.578 1.00 20.00 O +ATOM 1469 N ALA B 93 -18.250 83.593 -24.939 1.00 20.00 N +ATOM 1470 CA ALA B 93 -17.138 84.484 -24.623 1.00 20.00 C +ATOM 1471 CB ALA B 93 -17.647 85.794 -24.014 1.00 20.00 C +ATOM 1472 C ALA B 93 -16.154 83.800 -23.680 1.00 20.00 C +ATOM 1473 O ALA B 93 -16.568 83.093 -22.764 1.00 20.00 O +ATOM 1474 N ALA B 94 -14.853 84.007 -23.900 1.00 20.00 N +ATOM 1475 CA ALA B 94 -13.827 83.402 -23.058 1.00 20.00 C +ATOM 1476 CB ALA B 94 -13.788 81.890 -23.305 1.00 20.00 C +ATOM 1477 C ALA B 94 -12.447 84.016 -23.267 1.00 20.00 C +ATOM 1478 O ALA B 94 -12.248 84.777 -24.211 1.00 20.00 O +ATOM 1479 N ALA B 95 -11.493 83.687 -22.391 1.00 20.00 N +ATOM 1480 CA ALA B 95 -10.138 84.218 -22.498 1.00 20.00 C +ATOM 1481 CB ALA B 95 -9.638 84.706 -21.135 1.00 20.00 C +ATOM 1482 C ALA B 95 -9.190 83.171 -23.074 1.00 20.00 C +ATOM 1483 O ALA B 95 -9.247 82.007 -22.683 1.00 20.00 O +ATOM 1484 N ALA B 96 -8.320 83.579 -24.001 1.00 20.00 N +ATOM 1485 CA ALA B 96 -7.369 82.660 -24.617 1.00 20.00 C +ATOM 1486 CB ALA B 96 -7.590 82.581 -26.131 1.00 20.00 C +ATOM 1487 C ALA B 96 -5.937 83.082 -24.306 1.00 20.00 C +ATOM 1488 O ALA B 96 -5.503 84.152 -24.728 1.00 20.00 O +ATOM 1489 N ALA B 97 -5.200 82.246 -23.568 1.00 20.00 N +ATOM 1490 CA ALA B 97 -3.819 82.551 -23.212 1.00 20.00 C +ATOM 1491 CB ALA B 97 -3.569 82.223 -21.737 1.00 20.00 C +ATOM 1492 C ALA B 97 -2.828 81.809 -24.102 1.00 20.00 C +ATOM 1493 O ALA B 97 -2.929 80.594 -24.257 1.00 20.00 O +ATOM 1494 N ALA B 98 -1.871 82.534 -24.688 1.00 20.00 N +ATOM 1495 CA ALA B 98 -0.871 81.925 -25.559 1.00 20.00 C +ATOM 1496 CB ALA B 98 -0.925 82.532 -26.964 1.00 20.00 C +ATOM 1497 C ALA B 98 0.522 82.083 -24.958 1.00 20.00 C +ATOM 1498 O ALA B 98 1.241 83.016 -25.309 1.00 20.00 O +ATOM 1499 N ALA B 99 0.904 81.176 -24.055 1.00 20.00 N +ATOM 1500 CA ALA B 99 2.216 81.234 -23.418 1.00 20.00 C +ATOM 1501 CB ALA B 99 2.193 80.508 -22.070 1.00 20.00 C +ATOM 1502 C ALA B 99 3.290 80.646 -24.327 1.00 20.00 C +ATOM 1503 O ALA B 99 3.052 80.450 -25.516 1.00 20.00 O +ATOM 1504 N ALA B 100 4.472 80.365 -23.771 1.00 20.00 N +ATOM 1505 CA ALA B 100 5.570 79.799 -24.549 1.00 20.00 C +ATOM 1506 CB ALA B 100 6.477 80.910 -25.087 1.00 20.00 C +ATOM 1507 C ALA B 100 6.374 78.805 -23.718 1.00 20.00 C +ATOM 1508 O ALA B 100 6.551 79.005 -22.519 1.00 20.00 O +ATOM 1509 N ALA B 101 6.861 77.734 -24.351 1.00 20.00 N +ATOM 1510 CA ALA B 101 7.644 76.721 -23.652 1.00 20.00 C +ATOM 1511 CB ALA B 101 7.422 75.313 -24.215 1.00 20.00 C +ATOM 1512 C ALA B 101 9.111 77.120 -23.770 1.00 20.00 C +ATOM 1513 O ALA B 101 9.980 76.440 -23.229 1.00 20.00 O +ATOM 1514 N ALA B 102 9.390 78.220 -24.476 1.00 20.00 N +ATOM 1515 CA ALA B 102 10.759 78.691 -24.651 1.00 20.00 C +ATOM 1516 CB ALA B 102 10.907 79.809 -25.689 1.00 20.00 C +ATOM 1517 C ALA B 102 11.174 79.184 -23.269 1.00 20.00 C +ATOM 1518 O ALA B 102 10.322 79.572 -22.472 1.00 20.00 O +ATOM 1519 N ALA B 103 12.478 79.170 -22.981 1.00 20.00 N +ATOM 1520 CA ALA B 103 12.983 79.619 -21.688 1.00 20.00 C +ATOM 1521 CB ALA B 103 12.162 80.805 -21.172 1.00 20.00 C +ATOM 1522 C ALA B 103 12.979 78.481 -20.674 1.00 20.00 C +ATOM 1523 O ALA B 103 12.851 78.723 -19.476 1.00 20.00 O +ATOM 1524 N ALA B 104 13.117 77.239 -21.149 1.00 20.00 N +ATOM 1525 CA ALA B 104 13.127 76.078 -20.266 1.00 20.00 C +ATOM 1526 CA ALA C 1 0.466 52.653 -26.612 1.00 20.00 C +ATOM 1527 C ALA C 1 -0.106 52.255 -25.255 1.00 20.00 C +ATOM 1528 O ALA C 1 -0.616 53.105 -24.528 1.00 20.00 O +ATOM 1529 N ALA C 2 -0.024 50.967 -24.912 1.00 20.00 N +ATOM 1530 CA ALA C 2 -0.540 50.478 -23.638 1.00 20.00 C +ATOM 1531 CB ALA C 2 -0.223 48.990 -23.462 1.00 20.00 C +ATOM 1532 C ALA C 2 0.048 51.315 -22.506 1.00 20.00 C +ATOM 1533 O ALA C 2 -0.686 51.773 -21.633 1.00 20.00 O +ATOM 1534 N ALA C 3 1.368 51.515 -22.517 1.00 20.00 N +ATOM 1535 CA ALA C 3 2.034 52.300 -21.483 1.00 20.00 C +ATOM 1536 CB ALA C 3 3.545 52.343 -21.727 1.00 20.00 C +ATOM 1537 C ALA C 3 1.447 53.707 -21.431 1.00 20.00 C +ATOM 1538 O ALA C 3 1.109 54.194 -20.355 1.00 20.00 O +ATOM 1539 N ALA C 4 1.325 54.361 -22.590 1.00 20.00 N +ATOM 1540 CA ALA C 4 0.776 55.711 -22.654 1.00 20.00 C +ATOM 1541 CB ALA C 4 0.682 56.186 -24.108 1.00 20.00 C +ATOM 1542 C ALA C 4 -0.585 55.732 -21.967 1.00 20.00 C +ATOM 1543 O ALA C 4 -0.780 56.477 -21.009 1.00 20.00 O +ATOM 1544 N ALA C 5 -1.527 54.918 -22.452 1.00 20.00 N +ATOM 1545 CA ALA C 5 -2.863 54.859 -21.870 1.00 20.00 C +ATOM 1546 CB ALA C 5 -3.720 53.815 -22.593 1.00 20.00 C +ATOM 1547 C ALA C 5 -2.792 54.558 -20.377 1.00 20.00 C +ATOM 1548 O ALA C 5 -3.430 55.242 -19.579 1.00 20.00 O +ATOM 1549 N ALA C 6 -2.018 53.538 -19.996 1.00 20.00 N +ATOM 1550 CA ALA C 6 -1.878 53.164 -18.593 1.00 20.00 C +ATOM 1551 CB ALA C 6 -0.879 52.013 -18.439 1.00 20.00 C +ATOM 1552 C ALA C 6 -1.452 54.360 -17.748 1.00 20.00 C +ATOM 1553 O ALA C 6 -1.940 54.532 -16.633 1.00 20.00 O +ATOM 1554 N ALA C 7 -0.544 55.187 -18.273 1.00 20.00 N +ATOM 1555 CA ALA C 7 -0.067 56.361 -17.550 1.00 20.00 C +ATOM 1556 CB ALA C 7 1.067 57.045 -18.321 1.00 20.00 C +ATOM 1557 C ALA C 7 -1.206 57.342 -17.289 1.00 20.00 C +ATOM 1558 O ALA C 7 -1.363 57.818 -16.167 1.00 20.00 O +ATOM 1559 N ALA C 8 -1.999 57.645 -18.320 1.00 20.00 N +ATOM 1560 CA ALA C 8 -3.118 58.572 -18.180 1.00 20.00 C +ATOM 1561 CB ALA C 8 -3.815 58.783 -19.528 1.00 20.00 C +ATOM 1562 C ALA C 8 -4.115 58.082 -17.135 1.00 20.00 C +ATOM 1563 O ALA C 8 -4.515 58.846 -16.260 1.00 20.00 O +ATOM 1564 N ALA C 9 -4.518 56.812 -17.224 1.00 20.00 N +ATOM 1565 CA ALA C 9 -5.469 56.241 -16.276 1.00 20.00 C +ATOM 1566 CB ALA C 9 -5.734 54.767 -16.599 1.00 20.00 C +ATOM 1567 C ALA C 9 -4.959 56.403 -14.848 1.00 20.00 C +ATOM 1568 O ALA C 9 -5.700 56.853 -13.976 1.00 20.00 O +ATOM 1569 N ALA C 10 -3.697 56.039 -14.606 1.00 20.00 N +ATOM 1570 CA ALA C 10 -3.108 56.153 -13.276 1.00 20.00 C +ATOM 1571 CB ALA C 10 -1.624 55.773 -13.309 1.00 20.00 C +ATOM 1572 C ALA C 10 -3.307 57.569 -12.747 1.00 20.00 C +ATOM 1573 O ALA C 10 -3.804 57.749 -11.637 1.00 20.00 O +ATOM 1574 N ALA C 11 -2.922 58.576 -13.537 1.00 20.00 N +ATOM 1575 CA ALA C 11 -3.067 59.969 -13.129 1.00 20.00 C +ATOM 1576 CB ALA C 11 -2.588 60.908 -14.240 1.00 20.00 C +ATOM 1577 C ALA C 11 -4.532 60.191 -12.769 1.00 20.00 C +ATOM 1578 O ALA C 11 -4.831 60.911 -11.819 1.00 20.00 O +ATOM 1579 N ALA C 12 -5.446 59.574 -13.523 1.00 20.00 N +ATOM 1580 CA ALA C 12 -6.875 59.718 -13.267 1.00 20.00 C +ATOM 1581 CB ALA C 12 -7.692 59.027 -14.364 1.00 20.00 C +ATOM 1582 C ALA C 12 -7.249 59.164 -11.896 1.00 20.00 C +ATOM 1583 O ALA C 12 -7.952 59.825 -11.135 1.00 20.00 O +ATOM 1584 N ALA C 13 -6.783 57.953 -11.578 1.00 20.00 N +ATOM 1585 CA ALA C 13 -7.081 57.329 -10.293 1.00 20.00 C +ATOM 1586 CB ALA C 13 -6.433 55.944 -10.203 1.00 20.00 C +ATOM 1587 C ALA C 13 -6.621 58.212 -9.138 1.00 20.00 C +ATOM 1588 O ALA C 13 -7.381 58.445 -8.200 1.00 20.00 O +ATOM 1589 N ALA C 14 -5.381 58.704 -9.201 1.00 20.00 N +ATOM 1590 CA ALA C 14 -4.841 59.559 -8.149 1.00 20.00 C +ATOM 1591 CB ALA C 14 -3.396 59.958 -8.467 1.00 20.00 C +ATOM 1592 C ALA C 14 -5.650 60.825 -7.886 1.00 20.00 C +ATOM 1593 O ALA C 14 -5.754 61.264 -6.743 1.00 20.00 O +ATOM 1594 N ALA C 15 -6.225 61.412 -8.940 1.00 20.00 N +ATOM 1595 CA ALA C 15 -7.021 62.627 -8.801 1.00 20.00 C +ATOM 1596 CB ALA C 15 -7.266 63.270 -10.170 1.00 20.00 C +ATOM 1597 C ALA C 15 -8.343 62.333 -8.100 1.00 20.00 C +ATOM 1598 O ALA C 15 -8.915 63.218 -7.467 1.00 20.00 O +ATOM 1599 N ALA C 16 -8.831 61.095 -8.211 1.00 20.00 N +ATOM 1600 CA ALA C 16 -10.089 60.707 -7.581 1.00 20.00 C +ATOM 1601 CB ALA C 16 -10.101 61.118 -6.105 1.00 20.00 C +ATOM 1602 C ALA C 16 -11.279 61.313 -8.317 1.00 20.00 C +ATOM 1603 O ALA C 16 -12.416 61.166 -7.875 1.00 20.00 O +ATOM 1604 N ALA C 17 -11.022 61.995 -9.437 1.00 20.00 N +ATOM 1605 CA ALA C 17 -12.086 62.615 -10.218 1.00 20.00 C +ATOM 1606 CB ALA C 17 -11.501 63.570 -11.264 1.00 20.00 C +ATOM 1607 C ALA C 17 -12.999 61.611 -10.914 1.00 20.00 C +ATOM 1608 O ALA C 17 -12.572 60.502 -11.226 1.00 20.00 O +ATOM 1609 N ALA C 18 -14.255 61.995 -11.158 1.00 20.00 N +ATOM 1610 CA ALA C 18 -15.212 61.114 -11.818 1.00 20.00 C +ATOM 1611 CB ALA C 18 -16.646 61.487 -11.429 1.00 20.00 C +ATOM 1612 C ALA C 18 -15.032 61.162 -13.332 1.00 20.00 C +ATOM 1613 O ALA C 18 -14.241 61.958 -13.833 1.00 20.00 O +ATOM 1614 N ALA C 19 -15.762 60.314 -14.061 1.00 20.00 N +ATOM 1615 CA ALA C 19 -15.667 60.276 -15.516 1.00 20.00 C +ATOM 1616 CB ALA C 19 -16.225 58.956 -16.059 1.00 20.00 C +ATOM 1617 C ALA C 19 -16.393 61.462 -16.142 1.00 20.00 C +ATOM 1618 O ALA C 19 -16.399 61.607 -17.363 1.00 20.00 O +ATOM 1619 N ALA C 20 -17.005 62.311 -15.312 1.00 20.00 N +ATOM 1620 CA ALA C 20 -17.728 63.479 -15.804 1.00 20.00 C +ATOM 1621 CB ALA C 20 -19.175 63.468 -15.303 1.00 20.00 C +ATOM 1622 C ALA C 20 -17.024 64.766 -15.390 1.00 20.00 C +ATOM 1623 O ALA C 20 -17.555 65.855 -15.601 1.00 20.00 O +ATOM 1624 N ALA C 21 -15.830 64.648 -14.802 1.00 20.00 N +ATOM 1625 CA ALA C 21 -15.070 65.815 -14.367 1.00 20.00 C +ATOM 1626 CB ALA C 21 -14.673 65.680 -12.893 1.00 20.00 C +ATOM 1627 C ALA C 21 -13.833 66.029 -15.232 1.00 20.00 C +ATOM 1628 O ALA C 21 -12.971 66.834 -14.886 1.00 20.00 O +ATOM 1629 N ALA C 22 -13.742 65.313 -16.356 1.00 20.00 N +ATOM 1630 CA ALA C 22 -12.601 65.441 -17.256 1.00 20.00 C +ATOM 1631 CB ALA C 22 -11.491 64.460 -16.862 1.00 20.00 C +ATOM 1632 C ALA C 22 -13.002 65.225 -18.711 1.00 20.00 C +ATOM 1633 O ALA C 22 -13.692 64.256 -19.023 1.00 20.00 O +ATOM 1634 N ALA C 23 -12.574 66.123 -19.603 1.00 20.00 N +ATOM 1635 CA ALA C 23 -12.900 66.011 -21.021 1.00 20.00 C +ATOM 1636 CB ALA C 23 -13.867 67.124 -21.440 1.00 20.00 C +ATOM 1637 C ALA C 23 -11.638 66.046 -21.876 1.00 20.00 C +ATOM 1638 O ALA C 23 -10.729 66.827 -21.602 1.00 20.00 O +ATOM 1639 N ALA C 24 -11.579 65.203 -22.911 1.00 20.00 N +ATOM 1640 CA ALA C 24 -10.418 65.153 -23.793 1.00 20.00 C +ATOM 1641 CB ALA C 24 -9.612 63.873 -23.553 1.00 20.00 C +ATOM 1642 C ALA C 24 -10.801 65.254 -25.266 1.00 20.00 C +ATOM 1643 O ALA C 24 -11.323 64.297 -25.834 1.00 20.00 O +ATOM 1644 N ALA C 25 -10.545 66.409 -25.886 1.00 20.00 N +ATOM 1645 CA ALA C 25 -10.872 66.613 -27.294 1.00 20.00 C +ATOM 1646 CB ALA C 25 -11.655 67.915 -27.482 1.00 20.00 C +ATOM 1647 C ALA C 25 -9.601 66.613 -28.136 1.00 20.00 C +ATOM 1648 O ALA C 25 -8.964 67.652 -28.291 1.00 20.00 O +ATOM 1649 N ALA C 26 -9.229 65.451 -28.682 1.00 20.00 N +ATOM 1650 CA ALA C 26 -8.031 65.339 -29.506 1.00 20.00 C +ATOM 1651 CB ALA C 26 -7.402 63.950 -29.357 1.00 20.00 C +ATOM 1652 C ALA C 26 -8.344 65.632 -30.969 1.00 20.00 C +ATOM 1653 O ALA C 26 -9.384 65.213 -31.473 1.00 20.00 O +ATOM 1654 N ALA C 27 -7.449 66.350 -31.654 1.00 20.00 N +ATOM 1655 CA ALA C 27 -7.650 66.687 -33.059 1.00 20.00 C +ATOM 1656 CB ALA C 27 -8.072 68.152 -33.207 1.00 20.00 C +ATOM 1657 C ALA C 27 -6.394 66.408 -33.878 1.00 20.00 C +ATOM 1658 O ALA C 27 -5.285 66.635 -33.401 1.00 20.00 O +ATOM 1659 N ALA C 28 -6.564 65.917 -35.108 1.00 20.00 N +ATOM 1660 CA ALA C 28 -5.431 65.614 -35.976 1.00 20.00 C +ATOM 1661 CB ALA C 28 -4.774 64.293 -35.564 1.00 20.00 C +ATOM 1662 C ALA C 28 -5.893 65.573 -37.429 1.00 20.00 C +ATOM 1663 O ALA C 28 -7.092 65.503 -37.693 1.00 20.00 O +ATOM 1664 N ALA C 29 -4.948 65.617 -38.372 1.00 20.00 N +ATOM 1665 CA ALA C 29 -5.280 65.584 -39.792 1.00 20.00 C +ATOM 1666 CB ALA C 29 -4.599 66.740 -40.532 1.00 20.00 C +ATOM 1667 C ALA C 29 -4.893 64.249 -40.420 1.00 20.00 C +ATOM 1668 O ALA C 29 -3.946 63.608 -39.970 1.00 20.00 O +ATOM 1669 N ALA C 30 -5.622 63.828 -41.457 1.00 20.00 N +ATOM 1670 CA ALA C 30 -5.338 62.565 -42.132 1.00 20.00 C +ATOM 1671 CB ALA C 30 -6.441 62.234 -43.142 1.00 20.00 C +ATOM 1672 C ALA C 30 -3.977 62.607 -42.818 1.00 20.00 C +ATOM 1673 O ALA C 30 -3.367 61.564 -43.042 1.00 20.00 O +ATOM 1674 N ALA C 31 -3.498 63.809 -43.152 1.00 20.00 N +ATOM 1675 CA ALA C 31 -2.206 63.962 -43.812 1.00 20.00 C +ATOM 1676 CB ALA C 31 -2.306 64.967 -44.964 1.00 20.00 C +ATOM 1677 C ALA C 31 -1.133 64.391 -42.817 1.00 20.00 C +ATOM 1678 O ALA C 31 -0.009 64.691 -43.214 1.00 20.00 O +ATOM 1679 N ALA C 32 -1.473 64.420 -41.526 1.00 20.00 N +ATOM 1680 CA ALA C 32 -0.524 64.815 -40.491 1.00 20.00 C +ATOM 1681 CB ALA C 32 -1.253 65.459 -39.308 1.00 20.00 C +ATOM 1682 C ALA C 32 0.243 63.554 -40.105 1.00 20.00 C +ATOM 1683 O ALA C 32 -0.357 62.495 -39.939 1.00 20.00 O +ATOM 1684 N ALA C 33 1.567 63.665 -39.962 1.00 20.00 N +ATOM 1685 CA ALA C 33 2.396 62.522 -39.596 1.00 20.00 C +ATOM 1686 CB ALA C 33 3.872 62.811 -39.888 1.00 20.00 C +ATOM 1687 C ALA C 33 2.212 62.142 -38.130 1.00 20.00 C +ATOM 1688 O ALA C 33 2.616 61.057 -37.719 1.00 20.00 O +ATOM 1689 N ALA C 34 1.603 63.032 -37.341 1.00 20.00 N +ATOM 1690 CA ALA C 34 1.376 62.771 -35.924 1.00 20.00 C +ATOM 1691 CB ALA C 34 1.072 64.074 -35.177 1.00 20.00 C +ATOM 1692 C ALA C 34 0.246 61.765 -35.729 1.00 20.00 C +ATOM 1693 O ALA C 34 0.139 61.157 -34.666 1.00 20.00 O +ATOM 1694 N ALA C 35 -0.596 61.587 -36.751 1.00 20.00 N +ATOM 1695 CA ALA C 35 -1.711 60.649 -36.671 1.00 20.00 C +ATOM 1696 CB ALA C 35 -2.612 60.777 -37.903 1.00 20.00 C +ATOM 1697 C ALA C 35 -1.217 59.214 -36.519 1.00 20.00 C +ATOM 1698 O ALA C 35 -1.903 58.386 -35.924 1.00 20.00 O +ATOM 1699 N ALA C 36 -0.030 58.917 -37.055 1.00 20.00 N +ATOM 1700 CA ALA C 36 0.536 57.575 -36.969 1.00 20.00 C +ATOM 1701 CB ALA C 36 1.785 57.458 -37.848 1.00 20.00 C +ATOM 1702 C ALA C 36 0.873 57.181 -35.534 1.00 20.00 C +ATOM 1703 O ALA C 36 0.843 56.000 -35.196 1.00 20.00 O +ATOM 1704 N ALA C 37 1.195 58.166 -34.690 1.00 20.00 N +ATOM 1705 CA ALA C 37 1.534 57.900 -33.296 1.00 20.00 C +ATOM 1706 CB ALA C 37 2.753 58.725 -32.872 1.00 20.00 C +ATOM 1707 C ALA C 37 0.348 58.186 -32.382 1.00 20.00 C +ATOM 1708 O ALA C 37 0.299 57.683 -31.261 1.00 20.00 O +ATOM 1709 N ALA C 38 -0.608 58.991 -32.854 1.00 20.00 N +ATOM 1710 CA ALA C 38 -1.785 59.329 -32.062 1.00 20.00 C +ATOM 1711 CB ALA C 38 -2.361 60.679 -32.503 1.00 20.00 C +ATOM 1712 C ALA C 38 -2.844 58.236 -32.163 1.00 20.00 C +ATOM 1713 O ALA C 38 -3.326 57.750 -31.142 1.00 20.00 O +ATOM 1714 N ALA C 39 -3.207 57.849 -33.389 1.00 20.00 N +ATOM 1715 CA ALA C 39 -4.211 56.811 -33.599 1.00 20.00 C +ATOM 1716 CB ALA C 39 -4.178 56.314 -35.047 1.00 20.00 C +ATOM 1717 C ALA C 39 -4.010 55.652 -32.629 1.00 20.00 C +ATOM 1718 O ALA C 39 -4.961 55.215 -31.985 1.00 20.00 O +ATOM 1719 N ALA C 40 -2.776 55.152 -32.521 1.00 20.00 N +ATOM 1720 CA ALA C 40 -2.472 54.043 -31.623 1.00 20.00 C +ATOM 1721 CB ALA C 40 -1.011 53.611 -31.775 1.00 20.00 C +ATOM 1722 C ALA C 40 -2.774 54.411 -30.174 1.00 20.00 C +ATOM 1723 O ALA C 40 -3.430 53.648 -29.468 1.00 20.00 O +ATOM 1724 N ALA C 41 -2.298 55.577 -29.728 1.00 20.00 N +ATOM 1725 CA ALA C 41 -2.528 56.026 -28.359 1.00 20.00 C +ATOM 1726 CB ALA C 41 -1.771 57.329 -28.085 1.00 20.00 C +ATOM 1727 C ALA C 41 -4.018 56.203 -28.087 1.00 20.00 C +ATOM 1728 O ALA C 41 -4.499 55.823 -27.022 1.00 20.00 O +ATOM 1729 N ALA C 42 -4.750 56.780 -29.044 1.00 20.00 N +ATOM 1730 CA ALA C 42 -6.184 56.998 -28.887 1.00 20.00 C +ATOM 1731 CB ALA C 42 -6.744 57.780 -30.079 1.00 20.00 C +ATOM 1732 C ALA C 42 -6.920 55.673 -28.719 1.00 20.00 C +ATOM 1733 O ALA C 42 -7.747 55.537 -27.819 1.00 20.00 O +ATOM 1734 N ALA C 43 -6.623 54.696 -29.580 1.00 20.00 N +ATOM 1735 CA ALA C 43 -7.269 53.389 -29.509 1.00 20.00 C +ATOM 1736 CB ALA C 43 -6.729 52.461 -30.603 1.00 20.00 C +ATOM 1737 C ALA C 43 -7.078 52.766 -28.131 1.00 20.00 C +ATOM 1738 O ALA C 43 -8.028 52.236 -27.558 1.00 20.00 O +ATOM 1739 N ALA C 44 -5.856 52.827 -27.596 1.00 20.00 N +ATOM 1740 CA ALA C 44 -5.564 52.262 -26.283 1.00 20.00 C +ATOM 1741 CB ALA C 44 -4.068 52.371 -25.970 1.00 20.00 C +ATOM 1742 C ALA C 44 -6.402 52.962 -25.218 1.00 20.00 C +ATOM 1743 O ALA C 44 -6.980 52.302 -24.357 1.00 20.00 O +ATOM 1744 N ALA C 45 -6.470 54.295 -25.273 1.00 20.00 N +ATOM 1745 CA ALA C 45 -7.243 55.063 -24.304 1.00 20.00 C +ATOM 1746 CB ALA C 45 -7.054 56.566 -24.533 1.00 20.00 C +ATOM 1747 C ALA C 45 -8.722 54.697 -24.362 1.00 20.00 C +ATOM 1748 O ALA C 45 -9.382 54.629 -23.327 1.00 20.00 O +ATOM 1749 N ALA C 46 -9.246 54.460 -25.568 1.00 20.00 N +ATOM 1750 CA ALA C 46 -10.650 54.102 -25.737 1.00 20.00 C +ATOM 1751 CB ALA C 46 -11.004 53.996 -27.224 1.00 20.00 C +ATOM 1752 C ALA C 46 -10.969 52.798 -25.013 1.00 20.00 C +ATOM 1753 O ALA C 46 -12.105 52.587 -24.594 1.00 20.00 O +ATOM 1754 N ALA C 47 -9.971 51.922 -24.865 1.00 20.00 N +ATOM 1755 CA ALA C 47 -10.166 50.644 -24.188 1.00 20.00 C +ATOM 1756 CB ALA C 47 -9.004 49.692 -24.489 1.00 20.00 C +ATOM 1757 C ALA C 47 -10.323 50.840 -22.684 1.00 20.00 C +ATOM 1758 O ALA C 47 -10.898 49.989 -22.008 1.00 20.00 O +ATOM 1759 N ALA C 48 -9.814 51.957 -22.157 1.00 20.00 N +ATOM 1760 CA ALA C 48 -9.909 52.244 -20.730 1.00 20.00 C +ATOM 1761 CB ALA C 48 -9.002 53.420 -20.355 1.00 20.00 C +ATOM 1762 C ALA C 48 -11.356 52.524 -20.340 1.00 20.00 C +ATOM 1763 O ALA C 48 -12.061 53.233 -21.055 1.00 20.00 O +ATOM 1764 N ALA C 49 -11.802 51.971 -19.208 1.00 20.00 N +ATOM 1765 CA ALA C 49 -13.170 52.175 -18.743 1.00 20.00 C +ATOM 1766 CB ALA C 49 -13.545 51.121 -17.695 1.00 20.00 C +ATOM 1767 C ALA C 49 -13.364 53.577 -18.177 1.00 20.00 C +ATOM 1768 O ALA C 49 -14.485 53.959 -17.847 1.00 20.00 O +ATOM 1769 N ALA C 50 -12.278 54.346 -18.063 1.00 20.00 N +ATOM 1770 CA ALA C 50 -12.352 55.704 -17.534 1.00 20.00 C +ATOM 1771 CB ALA C 50 -11.085 56.044 -16.742 1.00 20.00 C +ATOM 1772 C ALA C 50 -12.571 56.734 -18.637 1.00 20.00 C +ATOM 1773 O ALA C 50 -12.442 57.932 -18.397 1.00 20.00 O +ATOM 1774 N ALA C 51 -12.903 56.273 -19.846 1.00 20.00 N +ATOM 1775 CA ALA C 51 -13.136 57.171 -20.972 1.00 20.00 C +ATOM 1776 CB ALA C 51 -11.863 57.325 -21.811 1.00 20.00 C +ATOM 1777 C ALA C 51 -14.290 56.679 -21.840 1.00 20.00 C +ATOM 1778 O ALA C 51 -14.298 55.524 -22.259 1.00 20.00 O +ATOM 1779 N ALA C 52 -15.265 57.551 -22.110 1.00 20.00 N +ATOM 1780 CA ALA C 52 -16.416 57.186 -22.929 1.00 20.00 C +ATOM 1781 CB ALA C 52 -17.723 57.495 -22.192 1.00 20.00 C +ATOM 1782 C ALA C 52 -16.329 57.926 -24.260 1.00 20.00 C +ATOM 1783 O ALA C 52 -16.735 59.082 -24.350 1.00 20.00 O +ATOM 1784 N ALA C 53 -15.801 57.264 -25.293 1.00 20.00 N +ATOM 1785 CA ALA C 53 -15.670 57.877 -26.611 1.00 20.00 C +ATOM 1786 CB ALA C 53 -15.181 56.851 -27.637 1.00 20.00 C +ATOM 1787 C ALA C 53 -16.964 58.513 -27.107 1.00 20.00 C +ATOM 1788 O ALA C 53 -17.998 57.850 -27.155 1.00 20.00 O +ATOM 1789 N ALA C 54 -16.912 59.796 -27.478 1.00 20.00 N +ATOM 1790 CA ALA C 54 -18.091 60.501 -27.968 1.00 20.00 C +ATOM 1791 CB ALA C 54 -19.329 60.110 -27.155 1.00 20.00 C +ATOM 1792 C ALA C 54 -17.878 62.011 -27.931 1.00 20.00 C +ATOM 1793 O ALA C 54 -17.213 62.517 -27.030 1.00 20.00 O +ATOM 1794 N ALA C 55 -18.441 62.731 -28.905 1.00 20.00 N +ATOM 1795 CA ALA C 55 -18.301 64.182 -28.965 1.00 20.00 C +ATOM 1796 CB ALA C 55 -18.475 64.682 -30.402 1.00 20.00 C +ATOM 1797 C ALA C 55 -19.298 64.863 -28.033 1.00 20.00 C +ATOM 1798 O ALA C 55 -19.130 66.034 -27.701 1.00 20.00 O +ATOM 1799 N ALA C 56 -20.334 64.134 -27.610 1.00 20.00 N +ATOM 1800 CA ALA C 56 -21.347 64.687 -26.717 1.00 20.00 C +ATOM 1801 CB ALA C 56 -22.644 63.877 -26.806 1.00 20.00 C +ATOM 1802 C ALA C 56 -20.867 64.744 -25.270 1.00 20.00 C +ATOM 1803 O ALA C 56 -21.119 63.820 -24.500 1.00 20.00 O +ATOM 1804 N ALA C 57 -20.177 65.826 -24.899 1.00 20.00 N +ATOM 1805 CA ALA C 57 -19.671 65.983 -23.539 1.00 20.00 C +ATOM 1806 CB ALA C 57 -19.017 67.357 -23.362 1.00 20.00 C +ATOM 1807 C ALA C 57 -20.783 65.782 -22.516 1.00 20.00 C +ATOM 1808 O ALA C 57 -20.506 65.554 -21.340 1.00 20.00 O +ATOM 1809 N ALA C 58 -22.042 65.866 -22.957 1.00 20.00 N +ATOM 1810 CA ALA C 58 -23.181 65.691 -22.063 1.00 20.00 C +ATOM 1811 CB ALA C 58 -24.476 66.147 -22.743 1.00 20.00 C +ATOM 1812 C ALA C 58 -23.286 64.237 -21.613 1.00 20.00 C +ATOM 1813 O ALA C 58 -23.905 63.951 -20.591 1.00 20.00 O +ATOM 1814 N ALA C 59 -22.682 63.318 -22.373 1.00 20.00 N +ATOM 1815 CA ALA C 59 -22.720 61.899 -22.034 1.00 20.00 C +ATOM 1816 CB ALA C 59 -23.785 61.176 -22.864 1.00 20.00 C +ATOM 1817 C ALA C 59 -21.351 61.259 -22.237 1.00 20.00 C +ATOM 1818 O ALA C 59 -21.100 60.168 -21.730 1.00 20.00 O +ATOM 1819 N ALA C 60 -20.465 61.932 -22.977 1.00 20.00 N +ATOM 1820 CA ALA C 60 -19.127 61.410 -23.234 1.00 20.00 C +ATOM 1821 CB ALA C 60 -18.907 61.207 -24.736 1.00 20.00 C +ATOM 1822 C ALA C 60 -18.056 62.330 -22.657 1.00 20.00 C +ATOM 1823 O ALA C 60 -18.379 63.326 -22.014 1.00 20.00 O +ATOM 1824 N ALA C 61 -16.781 62.001 -22.886 1.00 20.00 N +ATOM 1825 CA ALA C 61 -15.678 62.811 -22.380 1.00 20.00 C +ATOM 1826 CB ALA C 61 -15.444 62.535 -20.891 1.00 20.00 C +ATOM 1827 C ALA C 61 -14.387 62.581 -23.159 1.00 20.00 C +ATOM 1828 O ALA C 61 -13.320 63.009 -22.725 1.00 20.00 O +ATOM 1829 N ALA C 62 -14.480 61.906 -24.309 1.00 20.00 N +ATOM 1830 CA ALA C 62 -13.308 61.631 -25.132 1.00 20.00 C +ATOM 1831 CB ALA C 62 -12.620 60.340 -24.677 1.00 20.00 C +ATOM 1832 C ALA C 62 -13.697 61.549 -26.605 1.00 20.00 C +ATOM 1833 O ALA C 62 -14.544 60.738 -26.974 1.00 20.00 O +ATOM 1834 N ALA C 63 -13.082 62.384 -27.446 1.00 20.00 N +ATOM 1835 CA ALA C 63 -13.379 62.389 -28.875 1.00 20.00 C +ATOM 1836 CB ALA C 63 -14.476 63.408 -29.200 1.00 20.00 C +ATOM 1837 C ALA C 63 -12.125 62.635 -29.745 1.00 20.00 C +ATOM 1838 O ALA C 63 -11.318 63.484 -29.372 1.00 20.00 O +ATOM 1839 N ALA C 64 -11.973 61.943 -30.878 1.00 20.00 N +ATOM 1840 CA ALA C 64 -10.827 62.154 -31.757 1.00 20.00 C +ATOM 1841 CB ALA C 64 -9.980 60.880 -31.852 1.00 20.00 C +ATOM 1842 C ALA C 64 -11.240 62.604 -33.154 1.00 20.00 C +ATOM 1843 O ALA C 64 -11.812 61.823 -33.911 1.00 20.00 O +ATOM 1844 N ALA C 65 -10.953 63.863 -33.499 1.00 20.00 N +ATOM 1845 CA ALA C 65 -11.302 64.397 -34.811 1.00 20.00 C +ATOM 1846 CB ALA C 65 -11.841 65.826 -34.685 1.00 20.00 C +ATOM 1847 C ALA C 65 -10.105 64.356 -35.755 1.00 20.00 C +ATOM 1848 O ALA C 65 -9.030 64.839 -35.407 1.00 20.00 O +ATOM 1849 N ALA C 66 -10.287 63.783 -36.947 1.00 20.00 N +ATOM 1850 CA ALA C 66 -9.209 63.690 -37.926 1.00 20.00 C +ATOM 1851 CB ALA C 66 -8.854 62.225 -38.199 1.00 20.00 C +ATOM 1852 C ALA C 66 -9.583 64.401 -39.222 1.00 20.00 C +ATOM 1853 O ALA C 66 -10.396 63.893 -39.991 1.00 20.00 O +ATOM 1854 N ALA C 67 -8.994 65.574 -39.467 1.00 20.00 N +ATOM 1855 CA ALA C 67 -9.279 66.339 -40.677 1.00 20.00 C +ATOM 1856 CB ALA C 67 -8.601 67.711 -40.620 1.00 20.00 C +ATOM 1857 C ALA C 67 -8.841 65.573 -41.920 1.00 20.00 C +ATOM 1858 O ALA C 67 -7.656 65.294 -42.086 1.00 20.00 O +ATOM 1859 N ALA C 68 -9.792 65.232 -42.794 1.00 20.00 N +ATOM 1860 CA ALA C 68 -9.483 64.498 -44.017 1.00 20.00 C +ATOM 1861 CB ALA C 68 -10.767 63.997 -44.684 1.00 20.00 C +ATOM 1862 C ALA C 68 -8.677 65.328 -45.011 1.00 20.00 C +ATOM 1863 O ALA C 68 -9.196 66.287 -45.577 1.00 20.00 O +ATOM 1864 N ALA C 69 -7.410 64.962 -45.226 1.00 20.00 N +ATOM 1865 CA ALA C 69 -6.550 65.686 -46.156 1.00 20.00 C +ATOM 1866 CB ALA C 69 -7.358 66.186 -47.358 1.00 20.00 C +ATOM 1867 C ALA C 69 -5.806 66.867 -45.544 1.00 20.00 C +ATOM 1868 O ALA C 69 -5.129 67.605 -46.256 1.00 20.00 O +ATOM 1869 N ALA C 70 -5.928 67.049 -44.226 1.00 20.00 N +ATOM 1870 CA ALA C 70 -5.259 68.148 -43.539 1.00 20.00 C +ATOM 1871 CB ALA C 70 -5.982 68.487 -42.231 1.00 20.00 C +ATOM 1872 C ALA C 70 -3.791 67.846 -43.255 1.00 20.00 C +ATOM 1873 O ALA C 70 -3.479 66.835 -42.630 1.00 20.00 O +ATOM 1874 N ALA C 71 -2.889 68.719 -43.712 1.00 20.00 N +ATOM 1875 CA ALA C 71 -1.459 68.526 -43.497 1.00 20.00 C +ATOM 1876 CB ALA C 71 -0.650 69.208 -44.605 1.00 20.00 C +ATOM 1877 C ALA C 71 -1.030 69.045 -42.128 1.00 20.00 C +ATOM 1878 O ALA C 71 -1.857 69.555 -41.376 1.00 20.00 O +ATOM 1879 N ALA C 72 0.260 68.918 -41.804 1.00 20.00 N +ATOM 1880 CA ALA C 72 0.776 69.381 -40.520 1.00 20.00 C +ATOM 1881 CB ALA C 72 2.013 68.573 -40.114 1.00 20.00 C +ATOM 1882 C ALA C 72 1.099 70.870 -40.565 1.00 20.00 C +ATOM 1883 O ALA C 72 2.266 71.251 -40.483 1.00 20.00 O +ATOM 1884 N ALA C 73 0.072 71.714 -40.696 1.00 20.00 N +ATOM 1885 CA ALA C 73 0.269 73.159 -40.750 1.00 20.00 C +ATOM 1886 CB ALA C 73 0.328 73.641 -42.203 1.00 20.00 C +ATOM 1887 C ALA C 73 -0.829 73.891 -39.986 1.00 20.00 C +ATOM 1888 O ALA C 73 -1.961 73.418 -39.930 1.00 20.00 O +ATOM 1889 N ALA C 74 -0.499 75.045 -39.398 1.00 20.00 N +ATOM 1890 CA ALA C 74 -1.471 75.827 -38.643 1.00 20.00 C +ATOM 1891 CB ALA C 74 -0.804 77.051 -38.009 1.00 20.00 C +ATOM 1892 C ALA C 74 -2.638 76.251 -39.530 1.00 20.00 C +ATOM 1893 O ALA C 74 -3.749 76.438 -39.040 1.00 20.00 O +ATOM 1894 N ALA C 75 -2.389 76.402 -40.834 1.00 20.00 N +ATOM 1895 CA ALA C 75 -3.432 76.803 -41.771 1.00 20.00 C +ATOM 1896 CB ALA C 75 -2.906 76.771 -43.210 1.00 20.00 C +ATOM 1897 C ALA C 75 -4.654 75.905 -41.613 1.00 20.00 C +ATOM 1898 O ALA C 75 -5.770 76.324 -41.909 1.00 20.00 O +ATOM 1899 N ALA C 76 -4.447 74.670 -41.146 1.00 20.00 N +ATOM 1900 CA ALA C 76 -5.545 73.728 -40.956 1.00 20.00 C +ATOM 1901 CB ALA C 76 -5.238 72.396 -41.647 1.00 20.00 C +ATOM 1902 C ALA C 76 -5.821 73.518 -39.471 1.00 20.00 C +ATOM 1903 O ALA C 76 -6.973 73.355 -39.075 1.00 20.00 O +ATOM 1904 N ALA C 77 -4.769 73.523 -38.648 1.00 20.00 N +ATOM 1905 CA ALA C 77 -4.919 73.330 -37.210 1.00 20.00 C +ATOM 1906 CB ALA C 77 -3.557 73.388 -36.512 1.00 20.00 C +ATOM 1907 C ALA C 77 -5.870 74.368 -36.622 1.00 20.00 C +ATOM 1908 O ALA C 77 -6.622 74.063 -35.699 1.00 20.00 O +ATOM 1909 N ALA C 78 -5.840 75.594 -37.153 1.00 20.00 N +ATOM 1910 CA ALA C 78 -6.708 76.662 -36.667 1.00 20.00 C +ATOM 1911 CB ALA C 78 -6.411 77.974 -37.399 1.00 20.00 C +ATOM 1912 C ALA C 78 -8.182 76.298 -36.811 1.00 20.00 C +ATOM 1913 O ALA C 78 -9.016 76.794 -36.058 1.00 20.00 O +ATOM 1914 N ALA C 79 -8.505 75.434 -37.778 1.00 20.00 N +ATOM 1915 CA ALA C 79 -9.886 75.018 -38.004 1.00 20.00 C +ATOM 1916 CB ALA C 79 -10.059 74.473 -39.425 1.00 20.00 C +ATOM 1917 C ALA C 79 -10.291 73.981 -36.961 1.00 20.00 C +ATOM 1918 O ALA C 79 -11.479 73.778 -36.723 1.00 20.00 O +ATOM 1919 N ALA C 80 -9.308 73.325 -36.339 1.00 20.00 N +ATOM 1920 CA ALA C 80 -9.583 72.314 -35.324 1.00 20.00 C +ATOM 1921 CB ALA C 80 -8.335 71.469 -35.052 1.00 20.00 C +ATOM 1922 C ALA C 80 -10.090 72.953 -34.036 1.00 20.00 C +ATOM 1923 O ALA C 80 -10.993 72.419 -33.396 1.00 20.00 O +ATOM 1924 N ALA C 81 -9.511 74.095 -33.653 1.00 20.00 N +ATOM 1925 CA ALA C 81 -9.919 74.791 -32.438 1.00 20.00 C +ATOM 1926 CB ALA C 81 -8.929 75.910 -32.099 1.00 20.00 C +ATOM 1927 C ALA C 81 -11.332 75.347 -32.574 1.00 20.00 C +ATOM 1928 O ALA C 81 -12.083 75.370 -31.601 1.00 20.00 O +ATOM 1929 N ALA C 82 -11.697 75.797 -33.779 1.00 20.00 N +ATOM 1930 CA ALA C 82 -13.025 76.350 -34.020 1.00 20.00 C +ATOM 1931 CB ALA C 82 -13.068 77.083 -35.364 1.00 20.00 C +ATOM 1932 C ALA C 82 -14.090 75.260 -33.970 1.00 20.00 C +ATOM 1933 O ALA C 82 -15.277 75.561 -33.873 1.00 20.00 O +ATOM 1934 N ALA C 83 -13.670 73.993 -34.034 1.00 20.00 N +ATOM 1935 CA ALA C 83 -14.603 72.872 -33.995 1.00 20.00 C +ATOM 1936 CB ALA C 83 -14.121 71.736 -34.902 1.00 20.00 C +ATOM 1937 C ALA C 83 -14.809 72.360 -32.573 1.00 20.00 C +ATOM 1938 O ALA C 83 -15.946 72.235 -32.122 1.00 20.00 O +ATOM 1939 N ALA C 84 -13.716 72.062 -31.866 1.00 20.00 N +ATOM 1940 CA ALA C 84 -13.799 71.565 -30.498 1.00 20.00 C +ATOM 1941 CB ALA C 84 -12.410 71.183 -29.977 1.00 20.00 C +ATOM 1942 C ALA C 84 -14.452 72.594 -29.581 1.00 20.00 C +ATOM 1943 O ALA C 84 -14.083 73.767 -29.610 1.00 20.00 O +ATOM 1944 N ALA C 85 -15.419 72.162 -28.768 1.00 20.00 N +ATOM 1945 CA ALA C 85 -16.109 73.063 -27.851 1.00 20.00 C +ATOM 1946 CB ALA C 85 -17.379 73.624 -28.500 1.00 20.00 C +ATOM 1947 C ALA C 85 -16.465 72.403 -26.523 1.00 20.00 C +ATOM 1948 O ALA C 85 -17.223 71.436 -26.499 1.00 20.00 O +ATOM 1949 N ALA C 86 -15.920 72.921 -25.418 1.00 20.00 N +ATOM 1950 CA ALA C 86 -16.192 72.367 -24.096 1.00 20.00 C +ATOM 1951 CB ALA C 86 -15.016 71.510 -23.618 1.00 20.00 C +ATOM 1952 C ALA C 86 -16.490 73.490 -23.108 1.00 20.00 C +ATOM 1953 O ALA C 86 -16.683 74.633 -23.515 1.00 20.00 O +ATOM 1954 N ALA C 87 -16.527 73.169 -21.812 1.00 20.00 N +ATOM 1955 CA ALA C 87 -16.803 74.166 -20.783 1.00 20.00 C +ATOM 1956 CB ALA C 87 -16.210 75.523 -21.175 1.00 20.00 C +ATOM 1957 C ALA C 87 -18.296 74.307 -20.509 1.00 20.00 C +ATOM 1958 O ALA C 87 -18.731 75.322 -19.970 1.00 20.00 O +ATOM 1959 N ALA C 88 -19.083 73.291 -20.878 1.00 20.00 N +ATOM 1960 CA ALA C 88 -20.526 73.323 -20.664 1.00 20.00 C +ATOM 1961 CB ALA C 88 -21.267 72.835 -21.912 1.00 20.00 C +ATOM 1962 C ALA C 88 -20.919 72.490 -19.448 1.00 20.00 C +ATOM 1963 O ALA C 88 -22.008 72.664 -18.907 1.00 20.00 O +ATOM 1964 N ALA C 89 -20.036 71.584 -19.017 1.00 20.00 N +ATOM 1965 CA ALA C 89 -20.311 70.735 -17.864 1.00 20.00 C +ATOM 1966 CB ALA C 89 -19.385 69.513 -17.860 1.00 20.00 C +ATOM 1967 C ALA C 89 -20.174 71.506 -16.555 1.00 20.00 C +ATOM 1968 O ALA C 89 -19.110 72.051 -16.269 1.00 20.00 O +ATOM 1969 N ALA C 90 -21.246 71.554 -15.759 1.00 20.00 N +ATOM 1970 CA ALA C 90 -21.224 72.265 -14.486 1.00 20.00 C +ATOM 1971 CB ALA C 90 -19.993 71.865 -13.666 1.00 20.00 C +ATOM 1972 C ALA C 90 -21.258 73.774 -14.704 1.00 20.00 C +ATOM 1973 O ALA C 90 -21.003 74.537 -13.775 1.00 20.00 O +ATOM 1974 N ALA C 91 -21.571 74.207 -15.929 1.00 20.00 N +ATOM 1975 CA ALA C 91 -21.632 75.629 -16.246 1.00 20.00 C +ATOM 1976 CB ALA C 91 -22.049 75.838 -17.705 1.00 20.00 C +ATOM 1977 C ALA C 91 -22.584 76.364 -15.309 1.00 20.00 C +ATOM 1978 O ALA C 91 -23.623 75.822 -14.937 1.00 20.00 O +ATOM 1979 N ALA C 92 -22.236 77.596 -14.926 1.00 20.00 N +ATOM 1980 CA ALA C 92 -23.074 78.386 -14.031 1.00 20.00 C +ATOM 1981 CB ALA C 92 -22.227 79.396 -13.250 1.00 20.00 C +ATOM 1982 C ALA C 92 -24.179 79.098 -14.805 1.00 20.00 C +ATOM 1983 O ALA C 92 -25.029 79.752 -14.205 1.00 20.00 O +ATOM 1984 N ALA C 93 -24.171 78.973 -16.135 1.00 20.00 N +ATOM 1985 CA ALA C 93 -25.181 79.612 -16.971 1.00 20.00 C +ATOM 1986 CB ALA C 93 -24.544 80.189 -18.240 1.00 20.00 C +ATOM 1987 C ALA C 93 -26.295 78.634 -17.329 1.00 20.00 C +ATOM 1988 O ALA C 93 -26.038 77.446 -17.511 1.00 20.00 O +ATOM 1989 N ALA C 94 -27.533 79.128 -17.428 1.00 20.00 N +ATOM 1990 CA ALA C 94 -28.671 78.280 -17.764 1.00 20.00 C +ATOM 1991 CB ALA C 94 -29.979 78.921 -17.290 1.00 20.00 C +ATOM 1992 C ALA C 94 -28.687 78.027 -19.268 1.00 20.00 C +ATOM 1993 O ALA C 94 -29.358 78.745 -20.007 1.00 20.00 O +ATOM 1994 N ALA C 95 -27.952 77.009 -19.723 1.00 20.00 N +ATOM 1995 CA ALA C 95 -27.896 76.679 -21.144 1.00 20.00 C +ATOM 1996 CB ALA C 95 -26.484 76.906 -21.695 1.00 20.00 C +ATOM 1997 C ALA C 95 -28.303 75.284 -21.604 1.00 20.00 C +ATOM 1998 O ALA C 95 -27.991 74.299 -20.938 1.00 20.00 O +ATOM 1999 N ALA C 96 -28.999 75.194 -22.741 1.00 20.00 N +ATOM 2000 CA ALA C 96 -29.440 73.909 -23.272 1.00 20.00 C +ATOM 2001 CB ALA C 96 -30.899 73.987 -23.731 1.00 20.00 C +ATOM 2002 C ALA C 96 -28.540 73.452 -24.415 1.00 20.00 C +ATOM 2003 O ALA C 96 -28.393 74.165 -25.405 1.00 20.00 O +ATOM 2004 N ALA C 97 -27.938 72.267 -24.283 1.00 20.00 N +ATOM 2005 CA ALA C 97 -27.056 71.736 -25.317 1.00 20.00 C +ATOM 2006 CB ALA C 97 -27.546 72.151 -26.708 1.00 20.00 C +ATOM 2007 C ALA C 97 -25.618 72.192 -25.097 1.00 20.00 C +ATOM 2008 O ALA C 97 -24.707 71.366 -25.071 1.00 20.00 O +ATOM 2009 N ALA C 98 -25.410 73.501 -24.938 1.00 20.00 N +ATOM 2010 CA ALA C 98 -24.073 74.045 -24.720 1.00 20.00 C +ATOM 2011 CA ALA D 1 10.756 72.499 -22.010 1.00 20.00 C +ATOM 2012 C ALA D 1 9.258 72.240 -22.127 1.00 20.00 C +ATOM 2013 O ALA D 1 8.508 72.526 -21.196 1.00 20.00 O +ATOM 2014 N ALA D 2 8.820 71.700 -23.268 1.00 20.00 N +ATOM 2015 CA ALA D 2 7.406 71.410 -23.486 1.00 20.00 C +ATOM 2016 CB ALA D 2 7.137 71.120 -24.965 1.00 20.00 C +ATOM 2017 C ALA D 2 6.947 70.243 -22.617 1.00 20.00 C +ATOM 2018 O ALA D 2 5.754 69.957 -22.550 1.00 20.00 O +ATOM 2019 N ALA D 3 7.890 69.569 -21.952 1.00 20.00 N +ATOM 2020 CA ALA D 3 7.561 68.436 -21.093 1.00 20.00 C +ATOM 2021 CB ALA D 3 8.436 67.227 -21.437 1.00 20.00 C +ATOM 2022 C ALA D 3 7.710 68.806 -19.621 1.00 20.00 C +ATOM 2023 O ALA D 3 7.473 67.973 -18.750 1.00 20.00 O +ATOM 2024 N ALA D 4 8.102 70.052 -19.341 1.00 20.00 N +ATOM 2025 CA ALA D 4 8.276 70.510 -17.967 1.00 20.00 C +ATOM 2026 CB ALA D 4 9.763 70.689 -17.643 1.00 20.00 C +ATOM 2027 C ALA D 4 7.513 71.807 -17.722 1.00 20.00 C +ATOM 2028 O ALA D 4 7.517 72.325 -16.608 1.00 20.00 O +ATOM 2029 N ALA D 5 6.859 72.336 -18.761 1.00 20.00 N +ATOM 2030 CA ALA D 5 6.097 73.574 -18.637 1.00 20.00 C +ATOM 2031 CB ALA D 5 5.547 74.008 -20.000 1.00 20.00 C +ATOM 2032 C ALA D 5 4.962 73.440 -17.628 1.00 20.00 C +ATOM 2033 O ALA D 5 4.489 74.441 -17.095 1.00 20.00 O +ATOM 2034 N ALA D 6 4.522 72.206 -17.364 1.00 20.00 N +ATOM 2035 CA ALA D 6 3.440 71.964 -16.416 1.00 20.00 C +ATOM 2036 CB ALA D 6 3.185 70.461 -16.262 1.00 20.00 C +ATOM 2037 C ALA D 6 3.740 72.594 -15.060 1.00 20.00 C +ATOM 2038 O ALA D 6 2.873 73.241 -14.476 1.00 20.00 O +ATOM 2039 N ALA D 7 4.964 72.408 -14.557 1.00 20.00 N +ATOM 2040 CA ALA D 7 5.355 72.967 -13.267 1.00 20.00 C +ATOM 2041 CB ALA D 7 6.742 72.459 -12.858 1.00 20.00 C +ATOM 2042 C ALA D 7 5.331 74.492 -13.303 1.00 20.00 C +ATOM 2043 O ALA D 7 4.889 75.123 -12.345 1.00 20.00 O +ATOM 2044 N ALA D 8 5.805 75.084 -14.402 1.00 20.00 N +ATOM 2045 CA ALA D 8 5.829 76.537 -14.540 1.00 20.00 C +ATOM 2046 CB ALA D 8 6.576 76.945 -15.814 1.00 20.00 C +ATOM 2047 C ALA D 8 4.415 77.109 -14.540 1.00 20.00 C +ATOM 2048 O ALA D 8 4.170 78.145 -13.926 1.00 20.00 O +ATOM 2049 N ALA D 9 3.485 76.439 -15.226 1.00 20.00 N +ATOM 2050 CA ALA D 9 2.102 76.897 -15.292 1.00 20.00 C +ATOM 2051 CB ALA D 9 1.297 76.045 -16.278 1.00 20.00 C +ATOM 2052 C ALA D 9 1.453 76.878 -13.912 1.00 20.00 C +ATOM 2053 O ALA D 9 0.721 77.801 -13.563 1.00 20.00 O +ATOM 2054 N ALA D 10 1.719 75.831 -13.127 1.00 20.00 N +ATOM 2055 CA ALA D 10 1.151 75.712 -11.789 1.00 20.00 C +ATOM 2056 CB ALA D 10 1.479 74.343 -11.183 1.00 20.00 C +ATOM 2057 C ALA D 10 1.649 76.833 -10.883 1.00 20.00 C +ATOM 2058 O ALA D 10 0.874 77.387 -10.106 1.00 20.00 O +ATOM 2059 N ALA D 11 2.939 77.168 -10.978 1.00 20.00 N +ATOM 2060 CA ALA D 11 3.518 78.227 -10.158 1.00 20.00 C +ATOM 2061 CB ALA D 11 4.988 77.924 -9.847 1.00 20.00 C +ATOM 2062 C ALA D 11 3.382 79.582 -10.842 1.00 20.00 C +ATOM 2063 O ALA D 11 3.101 80.580 -10.181 1.00 20.00 O +ATOM 2064 N ALA D 12 3.580 79.623 -12.162 1.00 20.00 N +ATOM 2065 CA ALA D 12 3.475 80.868 -12.915 1.00 20.00 C +ATOM 2066 CB ALA D 12 4.826 81.241 -13.533 1.00 20.00 C +ATOM 2067 C ALA D 12 2.402 80.765 -13.994 1.00 20.00 C +ATOM 2068 O ALA D 12 1.987 79.663 -14.348 1.00 20.00 O +ATOM 2069 N ALA D 13 1.952 81.908 -14.520 1.00 20.00 N +ATOM 2070 CA ALA D 13 0.927 81.923 -15.558 1.00 20.00 C +ATOM 2071 CB ALA D 13 1.157 80.787 -16.560 1.00 20.00 C +ATOM 2072 C ALA D 13 -0.468 81.829 -14.951 1.00 20.00 C +ATOM 2073 O ALA D 13 -1.200 82.816 -14.931 1.00 20.00 O +ATOM 2074 N ALA D 14 -0.839 80.645 -14.453 1.00 20.00 N +ATOM 2075 CA ALA D 14 -2.152 80.444 -13.849 1.00 20.00 C +ATOM 2076 CB ALA D 14 -2.237 79.064 -13.189 1.00 20.00 C +ATOM 2077 C ALA D 14 -2.460 81.543 -12.838 1.00 20.00 C +ATOM 2078 O ALA D 14 -3.420 82.289 -13.011 1.00 20.00 O +ATOM 2079 N ALA D 15 -1.648 81.646 -11.781 1.00 20.00 N +ATOM 2080 CA ALA D 15 -1.852 82.661 -10.754 1.00 20.00 C +ATOM 2081 CB ALA D 15 -0.958 82.387 -9.540 1.00 20.00 C +ATOM 2082 C ALA D 15 -1.593 84.058 -11.306 1.00 20.00 C +ATOM 2083 O ALA D 15 -2.197 85.025 -10.848 1.00 20.00 O +ATOM 2084 N ALA D 16 -0.696 84.169 -12.290 1.00 20.00 N +ATOM 2085 CA ALA D 16 -0.372 85.459 -12.891 1.00 20.00 C +ATOM 2086 CB ALA D 16 0.922 85.353 -13.705 1.00 20.00 C +ATOM 2087 C ALA D 16 -1.512 85.980 -13.761 1.00 20.00 C +ATOM 2088 O ALA D 16 -1.894 87.142 -13.644 1.00 20.00 O +ATOM 2089 N ALA D 17 -2.054 85.125 -14.633 1.00 20.00 N +ATOM 2090 CA ALA D 17 -3.149 85.520 -15.513 1.00 20.00 C +ATOM 2091 CB ALA D 17 -3.300 84.539 -16.680 1.00 20.00 C +ATOM 2092 C ALA D 17 -4.449 85.615 -14.721 1.00 20.00 C +ATOM 2093 O ALA D 17 -5.196 86.579 -14.876 1.00 20.00 O +ATOM 2094 N ALA D 18 -4.722 84.620 -13.872 1.00 20.00 N +ATOM 2095 CA ALA D 18 -5.938 84.612 -13.066 1.00 20.00 C +ATOM 2096 CB ALA D 18 -6.048 83.234 -12.406 1.00 20.00 C +ATOM 2097 C ALA D 18 -6.064 85.718 -12.023 1.00 20.00 C +ATOM 2098 O ALA D 18 -7.175 86.090 -11.651 1.00 20.00 O +ATOM 2099 N ALA D 19 -4.931 86.244 -11.551 1.00 20.00 N +ATOM 2100 CA ALA D 19 -4.938 87.307 -10.551 1.00 20.00 C +ATOM 2101 CB ALA D 19 -3.596 87.380 -9.815 1.00 20.00 C +ATOM 2102 C ALA D 19 -5.261 88.644 -11.209 1.00 20.00 C +ATOM 2103 O ALA D 19 -5.831 89.524 -10.567 1.00 20.00 O +ATOM 2104 N ALA D 20 -4.901 88.800 -12.486 1.00 20.00 N +ATOM 2105 CA ALA D 20 -5.163 90.039 -13.210 1.00 20.00 C +ATOM 2106 CB ALA D 20 -3.984 90.353 -14.137 1.00 20.00 C +ATOM 2107 C ALA D 20 -6.468 89.993 -13.999 1.00 20.00 C +ATOM 2108 O ALA D 20 -7.164 91.001 -14.095 1.00 20.00 O +ATOM 2109 N ALA D 21 -6.802 88.829 -14.562 1.00 20.00 N +ATOM 2110 CA ALA D 21 -8.028 88.675 -15.336 1.00 20.00 C +ATOM 2111 CB ALA D 21 -7.743 87.947 -16.654 1.00 20.00 C +ATOM 2112 C ALA D 21 -9.096 87.937 -14.536 1.00 20.00 C +ATOM 2113 O ALA D 21 -8.794 86.953 -13.865 1.00 20.00 O +ATOM 2114 N ALA D 22 -10.345 88.408 -14.605 1.00 20.00 N +ATOM 2115 CA ALA D 22 -11.442 87.778 -13.879 1.00 20.00 C +ATOM 2116 CB ALA D 22 -12.652 88.718 -13.847 1.00 20.00 C +ATOM 2117 C ALA D 22 -11.829 86.427 -14.472 1.00 20.00 C +ATOM 2118 O ALA D 22 -12.313 86.364 -15.599 1.00 20.00 O +ATOM 2119 N ALA D 23 -11.618 85.346 -13.715 1.00 20.00 N +ATOM 2120 CA ALA D 23 -11.952 84.005 -14.184 1.00 20.00 C +ATOM 2121 CB ALA D 23 -10.722 83.134 -14.462 1.00 20.00 C +ATOM 2122 C ALA D 23 -12.811 83.386 -13.087 1.00 20.00 C +ATOM 2123 O ALA D 23 -13.106 84.041 -12.091 1.00 20.00 O +ATOM 2124 N ALA D 24 -13.214 82.125 -13.266 1.00 20.00 N +ATOM 2125 CA ALA D 24 -14.040 81.436 -12.280 1.00 20.00 C +ATOM 2126 CB ALA D 24 -14.525 80.089 -12.826 1.00 20.00 C +ATOM 2127 C ALA D 24 -13.276 81.241 -10.975 1.00 20.00 C +ATOM 2128 O ALA D 24 -13.864 80.851 -9.969 1.00 20.00 O +ATOM 2129 N ALA D 25 -11.968 81.513 -10.987 1.00 20.00 N +ATOM 2130 CA ALA D 25 -11.142 81.362 -9.793 1.00 20.00 C +ATOM 2131 CB ALA D 25 -9.655 81.325 -10.159 1.00 20.00 C +ATOM 2132 C ALA D 25 -11.424 82.486 -8.802 1.00 20.00 C +ATOM 2133 O ALA D 25 -11.144 83.647 -9.091 1.00 20.00 O +ATOM 2134 N ALA D 26 -11.975 82.146 -7.633 1.00 20.00 N +ATOM 2135 CA ALA D 26 -12.285 83.142 -6.613 1.00 20.00 C +ATOM 2136 CB ALA D 26 -13.289 82.627 -5.576 1.00 20.00 C +ATOM 2137 C ALA D 26 -10.973 83.532 -5.941 1.00 20.00 C +ATOM 2138 O ALA D 26 -10.889 84.587 -5.317 1.00 20.00 O +ATOM 2139 N ALA D 27 -9.947 82.685 -6.067 1.00 20.00 N +ATOM 2140 CA ALA D 27 -8.647 82.960 -5.465 1.00 20.00 C +ATOM 2141 CB ALA D 27 -8.605 82.459 -4.017 1.00 20.00 C +ATOM 2142 C ALA D 27 -7.524 82.332 -6.283 1.00 20.00 C +ATOM 2143 O ALA D 27 -7.739 81.321 -6.949 1.00 20.00 O +ATOM 2144 N ALA D 28 -6.329 82.926 -6.238 1.00 20.00 N +ATOM 2145 CA ALA D 28 -5.186 82.408 -6.983 1.00 20.00 C +ATOM 2146 CB ALA D 28 -4.196 83.533 -7.299 1.00 20.00 C +ATOM 2147 C ALA D 28 -4.496 81.284 -6.217 1.00 20.00 C +ATOM 2148 O ALA D 28 -3.526 80.710 -6.707 1.00 20.00 O +ATOM 2149 N ALA D 29 -4.991 80.970 -5.017 1.00 20.00 N +ATOM 2150 CA ALA D 29 -4.406 79.911 -4.201 1.00 20.00 C +ATOM 2151 CB ALA D 29 -4.979 79.936 -2.780 1.00 20.00 C +ATOM 2152 C ALA D 29 -4.638 78.551 -4.849 1.00 20.00 C +ATOM 2153 O ALA D 29 -5.466 78.430 -5.750 1.00 20.00 O +ATOM 2154 N ALA D 30 -3.912 77.525 -4.394 1.00 20.00 N +ATOM 2155 CA ALA D 30 -4.055 76.181 -4.944 1.00 20.00 C +ATOM 2156 CB ALA D 30 -3.137 75.197 -4.213 1.00 20.00 C +ATOM 2157 C ALA D 30 -5.505 75.718 -4.872 1.00 20.00 C +ATOM 2158 O ALA D 30 -6.024 75.164 -5.840 1.00 20.00 O +ATOM 2159 N ALA D 31 -6.162 75.942 -3.731 1.00 20.00 N +ATOM 2160 CA ALA D 31 -7.554 75.539 -3.555 1.00 20.00 C +ATOM 2161 CB ALA D 31 -7.986 75.731 -2.098 1.00 20.00 C +ATOM 2162 C ALA D 31 -8.476 76.308 -4.495 1.00 20.00 C +ATOM 2163 O ALA D 31 -9.425 75.738 -5.031 1.00 20.00 O +ATOM 2164 N ALA D 32 -8.202 77.600 -4.697 1.00 20.00 N +ATOM 2165 CA ALA D 32 -9.020 78.429 -5.576 1.00 20.00 C +ATOM 2166 CB ALA D 32 -8.601 79.899 -5.478 1.00 20.00 C +ATOM 2167 C ALA D 32 -8.932 77.941 -7.018 1.00 20.00 C +ATOM 2168 O ALA D 32 -9.954 77.813 -7.689 1.00 20.00 O +ATOM 2169 N ALA D 33 -7.715 77.669 -7.498 1.00 20.00 N +ATOM 2170 CA ALA D 33 -7.518 77.196 -8.864 1.00 20.00 C +ATOM 2171 CB ALA D 33 -6.026 77.106 -9.202 1.00 20.00 C +ATOM 2172 C ALA D 33 -8.196 75.845 -9.062 1.00 20.00 C +ATOM 2173 O ALA D 33 -8.866 75.634 -10.070 1.00 20.00 O +ATOM 2174 N ALA D 34 -8.024 74.930 -8.104 1.00 20.00 N +ATOM 2175 CA ALA D 34 -8.629 73.605 -8.193 1.00 20.00 C +ATOM 2176 CB ALA D 34 -8.161 72.720 -7.033 1.00 20.00 C +ATOM 2177 C ALA D 34 -10.150 73.699 -8.217 1.00 20.00 C +ATOM 2178 O ALA D 34 -10.798 73.020 -9.011 1.00 20.00 O +ATOM 2179 N ALA D 35 -10.724 74.536 -7.348 1.00 20.00 N +ATOM 2180 CA ALA D 35 -12.172 74.703 -7.285 1.00 20.00 C +ATOM 2181 CB ALA D 35 -12.564 75.554 -6.073 1.00 20.00 C +ATOM 2182 C ALA D 35 -12.710 75.320 -8.572 1.00 20.00 C +ATOM 2183 O ALA D 35 -13.918 75.320 -8.798 1.00 20.00 O +ATOM 2184 N ALA D 36 -11.819 75.847 -9.416 1.00 20.00 N +ATOM 2185 CA ALA D 36 -12.225 76.464 -10.674 1.00 20.00 C +ATOM 2186 CB ALA D 36 -11.745 77.917 -10.744 1.00 20.00 C +ATOM 2187 C ALA D 36 -11.702 75.668 -11.865 1.00 20.00 C +ATOM 2188 O ALA D 36 -11.940 76.045 -13.011 1.00 20.00 O +ATOM 2189 N ALA D 37 -10.991 74.569 -11.600 1.00 20.00 N +ATOM 2190 CA ALA D 37 -10.443 73.735 -12.666 1.00 20.00 C +ATOM 2191 CB ALA D 37 -9.838 72.460 -12.070 1.00 20.00 C +ATOM 2192 C ALA D 37 -11.485 73.390 -13.725 1.00 20.00 C +ATOM 2193 O ALA D 37 -11.147 73.245 -14.897 1.00 20.00 O +ATOM 2194 N ALA D 38 -12.750 73.259 -13.317 1.00 20.00 N +ATOM 2195 CA ALA D 38 -13.826 72.931 -14.246 1.00 20.00 C +ATOM 2196 CB ALA D 38 -15.135 72.703 -13.483 1.00 20.00 C +ATOM 2197 C ALA D 38 -14.003 74.014 -15.305 1.00 20.00 C +ATOM 2198 O ALA D 38 -14.541 73.746 -16.377 1.00 20.00 O +ATOM 2199 N ALA D 39 -13.553 75.237 -15.010 1.00 20.00 N +ATOM 2200 CA ALA D 39 -13.671 76.345 -15.951 1.00 20.00 C +ATOM 2201 CB ALA D 39 -14.222 77.587 -15.242 1.00 20.00 C +ATOM 2202 C ALA D 39 -12.338 76.657 -16.622 1.00 20.00 C +ATOM 2203 O ALA D 39 -12.184 77.718 -17.223 1.00 20.00 O +ATOM 2204 N ALA D 40 -11.374 75.738 -16.520 1.00 20.00 N +ATOM 2205 CA ALA D 40 -10.060 75.935 -17.124 1.00 20.00 C +ATOM 2206 CB ALA D 40 -8.994 76.130 -16.042 1.00 20.00 C +ATOM 2207 C ALA D 40 -9.694 74.767 -18.034 1.00 20.00 C +ATOM 2208 O ALA D 40 -9.987 73.618 -17.710 1.00 20.00 O +ATOM 2209 N ALA D 41 -9.055 75.055 -19.171 1.00 20.00 N +ATOM 2210 CA ALA D 41 -8.658 74.013 -20.112 1.00 20.00 C +ATOM 2211 CB ALA D 41 -9.705 73.862 -21.220 1.00 20.00 C +ATOM 2212 C ALA D 41 -7.285 74.309 -20.707 1.00 20.00 C +ATOM 2213 O ALA D 41 -6.786 75.425 -20.581 1.00 20.00 O +ATOM 2214 N ALA D 42 -6.673 73.313 -21.355 1.00 20.00 N +ATOM 2215 CA ALA D 42 -5.358 73.488 -21.962 1.00 20.00 C +ATOM 2216 CB ALA D 42 -4.270 72.891 -21.065 1.00 20.00 C +ATOM 2217 C ALA D 42 -5.307 72.866 -23.354 1.00 20.00 C +ATOM 2218 O ALA D 42 -5.757 71.739 -23.543 1.00 20.00 O +ATOM 2219 N ALA D 43 -4.759 73.597 -24.329 1.00 20.00 N +ATOM 2220 CA ALA D 43 -4.659 73.099 -25.696 1.00 20.00 C +ATOM 2221 CB ALA D 43 -5.780 73.660 -26.576 1.00 20.00 C +ATOM 2222 C ALA D 43 -3.294 73.452 -26.277 1.00 20.00 C +ATOM 2223 O ALA D 43 -2.616 74.339 -25.762 1.00 20.00 O +ATOM 2224 N ALA D 44 -2.888 72.763 -27.348 1.00 20.00 N +ATOM 2225 CA ALA D 44 -1.600 73.021 -27.982 1.00 20.00 C +ATOM 2226 CB ALA D 44 -0.451 72.731 -27.011 1.00 20.00 C +ATOM 2227 C ALA D 44 -1.447 72.196 -29.256 1.00 20.00 C +ATOM 2228 O ALA D 44 -2.163 71.216 -29.444 1.00 20.00 O +ATOM 2229 N ALA D 45 -0.517 72.589 -30.130 1.00 20.00 N +ATOM 2230 CA ALA D 45 -0.287 71.872 -31.380 1.00 20.00 C +ATOM 2231 CB ALA D 45 -0.471 72.800 -32.584 1.00 20.00 C +ATOM 2232 C ALA D 45 1.106 71.251 -31.389 1.00 20.00 C +ATOM 2233 O ALA D 45 2.026 71.793 -30.782 1.00 20.00 O +ATOM 2234 N ALA D 46 1.263 70.114 -32.074 1.00 20.00 N +ATOM 2235 CA ALA D 46 2.553 69.436 -32.148 1.00 20.00 C +ATOM 2236 CB ALA D 46 3.452 70.102 -33.195 1.00 20.00 C +ATOM 2237 C ALA D 46 3.238 69.416 -30.786 1.00 20.00 C +ATOM 2238 O ALA D 46 2.738 68.790 -29.853 1.00 20.00 O +ATOM 2239 N ALA D 47 4.381 70.098 -30.667 1.00 20.00 N +ATOM 2240 CA ALA D 47 5.119 70.144 -29.409 1.00 20.00 C +ATOM 2241 CB ALA D 47 6.330 71.075 -29.529 1.00 20.00 C +ATOM 2242 C ALA D 47 4.216 70.583 -28.261 1.00 20.00 C +ATOM 2243 O ALA D 47 4.386 70.126 -27.134 1.00 20.00 O +ATOM 2244 N ALA D 48 3.256 71.469 -28.544 1.00 20.00 N +ATOM 2245 CA ALA D 48 2.337 71.957 -27.520 1.00 20.00 C +ATOM 2246 CB ALA D 48 1.654 73.255 -27.960 1.00 20.00 C +ATOM 2247 C ALA D 48 1.300 70.883 -27.208 1.00 20.00 C +ATOM 2248 O ALA D 48 0.505 71.047 -26.285 1.00 20.00 O +ATOM 2249 N ALA D 49 1.305 69.788 -27.971 1.00 20.00 N +ATOM 2250 CA ALA D 49 0.356 68.701 -27.758 1.00 20.00 C +ATOM 2251 CB ALA D 49 0.038 67.933 -29.046 1.00 20.00 C +ATOM 2252 C ALA D 49 0.966 67.769 -26.716 1.00 20.00 C +ATOM 2253 O ALA D 49 0.250 67.237 -25.870 1.00 20.00 O +ATOM 2254 N ALA D 50 2.286 67.571 -26.772 1.00 20.00 N +ATOM 2255 CA ALA D 50 2.971 66.700 -25.822 1.00 20.00 C +ATOM 2256 CB ALA D 50 4.464 66.483 -26.090 1.00 20.00 C +ATOM 2257 C ALA D 50 2.764 67.444 -24.507 1.00 20.00 C +ATOM 2258 O ALA D 50 2.465 66.824 -23.489 1.00 20.00 O +ATOM 2259 N ALA D 51 2.923 68.770 -24.525 1.00 20.00 N +ATOM 2260 CA ALA D 51 2.750 69.579 -23.323 1.00 20.00 C +ATOM 2261 CB ALA D 51 3.020 71.056 -23.629 1.00 20.00 C +ATOM 2262 C ALA D 51 1.356 69.401 -22.730 1.00 20.00 C +ATOM 2263 O ALA D 51 1.214 69.272 -21.516 1.00 20.00 O +ATOM 2264 N ALA D 52 0.326 69.392 -23.582 1.00 20.00 N +ATOM 2265 CA ALA D 52 -1.048 69.228 -23.121 1.00 20.00 C +ATOM 2266 CB ALA D 52 -2.041 69.306 -24.285 1.00 20.00 C +ATOM 2267 C ALA D 52 -1.185 67.897 -22.388 1.00 20.00 C +ATOM 2268 O ALA D 52 -1.811 67.837 -21.333 1.00 20.00 O +ATOM 2269 N ALA D 53 -0.603 66.831 -22.945 1.00 20.00 N +ATOM 2270 CA ALA D 53 -0.672 65.510 -22.328 1.00 20.00 C +ATOM 2271 CB ALA D 53 -0.125 64.429 -23.266 1.00 20.00 C +ATOM 2272 C ALA D 53 0.095 65.516 -21.010 1.00 20.00 C +ATOM 2273 O ALA D 53 -0.323 64.873 -20.050 1.00 20.00 O +ATOM 2274 N ALA D 54 1.217 66.240 -20.961 1.00 20.00 N +ATOM 2275 CA ALA D 54 2.028 66.316 -19.750 1.00 20.00 C +ATOM 2276 CB ALA D 54 3.383 66.965 -20.047 1.00 20.00 C +ATOM 2277 C ALA D 54 1.296 67.079 -18.651 1.00 20.00 C +ATOM 2278 O ALA D 54 1.417 66.737 -17.477 1.00 20.00 O +ATOM 2279 N ALA D 55 0.537 68.112 -19.027 1.00 20.00 N +ATOM 2280 CA ALA D 55 -0.206 68.910 -18.058 1.00 20.00 C +ATOM 2281 CB ALA D 55 -0.624 70.254 -18.662 1.00 20.00 C +ATOM 2282 C ALA D 55 -1.427 68.143 -17.561 1.00 20.00 C +ATOM 2283 O ALA D 55 -1.839 68.315 -16.416 1.00 20.00 O +ATOM 2284 N ALA D 56 -2.006 67.297 -18.418 1.00 20.00 N +ATOM 2285 CA ALA D 56 -3.179 66.513 -18.045 1.00 20.00 C +ATOM 2286 CB ALA D 56 -3.765 65.798 -19.267 1.00 20.00 C +ATOM 2287 C ALA D 56 -2.832 65.508 -16.951 1.00 20.00 C +ATOM 2288 O ALA D 56 -3.547 65.406 -15.957 1.00 20.00 O +ATOM 2289 N ALA D 57 -1.735 64.767 -17.130 1.00 20.00 N +ATOM 2290 CA ALA D 57 -1.311 63.776 -16.146 1.00 20.00 C +ATOM 2291 CB ALA D 57 -0.335 62.778 -16.777 1.00 20.00 C +ATOM 2292 C ALA D 57 -0.684 64.441 -14.926 1.00 20.00 C +ATOM 2293 O ALA D 57 -0.496 63.792 -13.899 1.00 20.00 O +ATOM 2294 N ALA D 58 -0.359 65.732 -15.033 1.00 20.00 N +ATOM 2295 CA ALA D 58 0.246 66.466 -13.926 1.00 20.00 C +ATOM 2296 CB ALA D 58 1.697 66.829 -14.255 1.00 20.00 C +ATOM 2297 C ALA D 58 -0.557 67.716 -13.586 1.00 20.00 C +ATOM 2298 O ALA D 58 -0.158 68.489 -12.718 1.00 20.00 O +ATOM 2299 N ALA D 59 -1.689 67.920 -14.268 1.00 20.00 N +ATOM 2300 CA ALA D 59 -2.533 69.084 -14.023 1.00 20.00 C +ATOM 2301 CB ALA D 59 -2.365 70.114 -15.145 1.00 20.00 C +ATOM 2302 C ALA D 59 -3.996 68.683 -13.876 1.00 20.00 C +ATOM 2303 O ALA D 59 -4.886 69.486 -14.152 1.00 20.00 O +ATOM 2304 N ALA D 60 -4.250 67.445 -13.443 1.00 20.00 N +ATOM 2305 CA ALA D 60 -5.614 66.959 -13.266 1.00 20.00 C +ATOM 2306 CB ALA D 60 -5.597 65.466 -12.923 1.00 20.00 C +ATOM 2307 C ALA D 60 -6.372 67.745 -12.201 1.00 20.00 C +ATOM 2308 O ALA D 60 -7.589 67.893 -12.293 1.00 20.00 O +ATOM 2309 N ALA D 61 -5.658 68.251 -11.192 1.00 20.00 N +ATOM 2310 CA ALA D 61 -6.282 69.020 -10.120 1.00 20.00 C +ATOM 2311 CB ALA D 61 -5.427 68.953 -8.851 1.00 20.00 C +ATOM 2312 C ALA D 61 -6.516 70.469 -10.534 1.00 20.00 C +ATOM 2313 O ALA D 61 -7.257 71.188 -9.866 1.00 20.00 O +ATOM 2314 N ALA D 62 -5.887 70.901 -11.630 1.00 20.00 N +ATOM 2315 CA ALA D 62 -6.041 72.269 -12.113 1.00 20.00 C +ATOM 2316 CB ALA D 62 -4.647 72.905 -12.111 1.00 20.00 C +ATOM 2317 C ALA D 62 -6.717 72.464 -13.466 1.00 20.00 C +ATOM 2318 O ALA D 62 -7.174 73.562 -13.775 1.00 20.00 O +ATOM 2319 N ALA D 63 -6.783 71.402 -14.275 1.00 20.00 N +ATOM 2320 CA ALA D 63 -7.408 71.478 -15.591 1.00 20.00 C +ATOM 2321 CB ALA D 63 -6.357 71.358 -16.700 1.00 20.00 C +ATOM 2322 C ALA D 63 -8.474 70.399 -15.743 1.00 20.00 C +ATOM 2323 O ALA D 63 -8.336 69.313 -15.186 1.00 20.00 O +ATOM 2324 N ALA D 64 -9.537 70.693 -16.498 1.00 20.00 N +ATOM 2325 CA ALA D 64 -10.615 69.733 -16.711 1.00 20.00 C +ATOM 2326 CB ALA D 64 -11.916 70.239 -16.079 1.00 20.00 C +ATOM 2327 C ALA D 64 -10.815 69.449 -18.195 1.00 20.00 C +ATOM 2328 O ALA D 64 -11.246 68.358 -18.562 1.00 20.00 O +ATOM 2329 N ALA D 65 -10.503 70.426 -19.051 1.00 20.00 N +ATOM 2330 CA ALA D 65 -10.656 70.260 -20.493 1.00 20.00 C +ATOM 2331 CB ALA D 65 -11.526 71.380 -21.072 1.00 20.00 C +ATOM 2332 C ALA D 65 -9.300 70.219 -21.191 1.00 20.00 C +ATOM 2333 O ALA D 65 -8.470 71.099 -20.977 1.00 20.00 O +ATOM 2334 N ALA D 66 -9.074 69.200 -22.024 1.00 20.00 N +ATOM 2335 CA ALA D 66 -7.811 69.064 -22.743 1.00 20.00 C +ATOM 2336 CB ALA D 66 -7.082 67.785 -22.318 1.00 20.00 C +ATOM 2337 C ALA D 66 -8.039 69.076 -24.251 1.00 20.00 C +ATOM 2338 O ALA D 66 -9.013 68.499 -24.732 1.00 20.00 O +ATOM 2339 N ALA D 67 -7.146 69.731 -24.999 1.00 20.00 N +ATOM 2340 CA ALA D 67 -7.269 69.804 -26.451 1.00 20.00 C +ATOM 2341 CB ALA D 67 -7.867 71.152 -26.868 1.00 20.00 C +ATOM 2342 C ALA D 67 -5.925 69.579 -27.135 1.00 20.00 C +ATOM 2343 O ALA D 67 -5.333 70.522 -27.655 1.00 20.00 O +ATOM 2344 N ALA D 68 -5.442 68.334 -27.136 1.00 20.00 N +ATOM 2345 CA ALA D 68 -4.165 68.008 -27.762 1.00 20.00 C +ATOM 2346 CB ALA D 68 -3.570 66.737 -27.148 1.00 20.00 C +ATOM 2347 C ALA D 68 -4.323 67.851 -29.270 1.00 20.00 C +ATOM 2348 O ALA D 68 -5.092 67.008 -29.725 1.00 20.00 O +ATOM 2349 N ALA D 69 -3.599 68.661 -30.048 1.00 20.00 N +ATOM 2350 CA ALA D 69 -3.674 68.595 -31.504 1.00 20.00 C +ATOM 2351 CB ALA D 69 -4.063 69.960 -32.081 1.00 20.00 C +ATOM 2352 C ALA D 69 -2.360 68.112 -32.106 1.00 20.00 C +ATOM 2353 O ALA D 69 -1.290 68.477 -31.623 1.00 20.00 O +ATOM 2354 N ALA D 70 -2.434 67.293 -33.159 1.00 20.00 N +ATOM 2355 CA ALA D 70 -1.238 66.772 -33.812 1.00 20.00 C +ATOM 2356 CB ALA D 70 -0.802 67.761 -34.898 1.00 20.00 C +ATOM 2357 C ALA D 70 -0.082 66.471 -32.864 1.00 20.00 C +ATOM 2358 O ALA D 70 1.073 66.726 -33.200 1.00 20.00 O +ATOM 2359 N ALA D 71 -0.386 65.929 -31.682 1.00 20.00 N +ATOM 2360 CA ALA D 71 0.643 65.602 -30.701 1.00 20.00 C +ATOM 2361 CB ALA D 71 0.813 66.745 -29.695 1.00 20.00 C +ATOM 2362 C ALA D 71 0.316 64.298 -29.981 1.00 20.00 C +ATOM 2363 O ALA D 71 -0.848 63.913 -29.901 1.00 20.00 O +ATOM 2364 N ALA D 72 1.339 63.616 -29.457 1.00 20.00 N +ATOM 2365 CA ALA D 72 1.139 62.358 -28.748 1.00 20.00 C +ATOM 2366 CB ALA D 72 1.650 61.180 -29.585 1.00 20.00 C +ATOM 2367 C ALA D 72 1.822 62.383 -27.386 1.00 20.00 C +ATOM 2368 O ALA D 72 2.696 63.215 -27.149 1.00 20.00 O +ATOM 2369 N ALA D 73 1.428 61.476 -26.487 1.00 20.00 N +ATOM 2370 CA ALA D 73 2.015 61.412 -25.153 1.00 20.00 C +ATOM 2371 CB ALA D 73 1.046 60.749 -24.170 1.00 20.00 C +ATOM 2372 C ALA D 73 3.348 60.671 -25.175 1.00 20.00 C +ATOM 2373 O ALA D 73 3.383 59.473 -25.445 1.00 20.00 O +ATOM 2374 N ALA D 74 4.446 61.379 -24.891 1.00 20.00 N +ATOM 2375 CA ALA D 74 5.770 60.768 -24.884 1.00 20.00 C +ATOM 2376 CB ALA D 74 6.850 61.851 -24.789 1.00 20.00 C +ATOM 2377 C ALA D 74 5.922 59.759 -23.750 1.00 20.00 C +ATOM 2378 O ALA D 74 7.021 59.263 -23.510 1.00 20.00 O +ATOM 2379 N ALA D 75 4.824 59.453 -23.054 1.00 20.00 N +ATOM 2380 CA ALA D 75 4.857 58.500 -21.950 1.00 20.00 C +ATOM 2381 CA ALA E 1 15.058 71.073 -6.875 1.00 20.00 C +ATOM 2382 C ALA E 1 14.626 72.311 -6.097 1.00 20.00 C +ATOM 2383 O ALA E 1 15.412 73.243 -5.936 1.00 20.00 O +ATOM 2384 N ALA E 2 13.380 72.326 -5.615 1.00 20.00 N +ATOM 2385 CA ALA E 2 12.865 73.461 -4.857 1.00 20.00 C +ATOM 2386 CB ALA E 2 11.602 74.022 -5.519 1.00 20.00 C +ATOM 2387 C ALA E 2 12.545 73.192 -3.391 1.00 20.00 C +ATOM 2388 O ALA E 2 12.261 74.124 -2.641 1.00 20.00 O +ATOM 2389 N ALA E 3 12.590 71.922 -2.979 1.00 20.00 N +ATOM 2390 CA ALA E 3 12.301 71.554 -1.597 1.00 20.00 C +ATOM 2391 CB ALA E 3 10.887 70.977 -1.477 1.00 20.00 C +ATOM 2392 C ALA E 3 13.280 70.562 -0.978 1.00 20.00 C +ATOM 2393 O ALA E 3 13.767 70.786 0.129 1.00 20.00 O +ATOM 2394 N ALA E 4 13.571 69.468 -1.686 1.00 20.00 N +ATOM 2395 CA ALA E 4 14.495 68.454 -1.188 1.00 20.00 C +ATOM 2396 CB ALA E 4 14.516 67.239 -2.120 1.00 20.00 C +ATOM 2397 C ALA E 4 15.923 68.955 -0.997 1.00 20.00 C +ATOM 2398 O ALA E 4 16.463 68.871 0.104 1.00 20.00 O +ATOM 2399 N ALA E 5 16.535 69.475 -2.064 1.00 20.00 N +ATOM 2400 CA ALA E 5 17.901 69.983 -1.992 1.00 20.00 C +ATOM 2401 CB ALA E 5 18.400 70.387 -3.383 1.00 20.00 C +ATOM 2402 C ALA E 5 18.063 71.163 -1.039 1.00 20.00 C +ATOM 2403 O ALA E 5 19.029 71.216 -0.281 1.00 20.00 O +ATOM 2404 N ALA E 6 17.121 72.110 -1.074 1.00 20.00 N +ATOM 2405 CA ALA E 6 17.178 73.281 -0.206 1.00 20.00 C +ATOM 2406 CB ALA E 6 16.111 74.304 -0.610 1.00 20.00 C +ATOM 2407 C ALA E 6 17.020 72.959 1.276 1.00 20.00 C +ATOM 2408 O ALA E 6 17.546 73.679 2.122 1.00 20.00 O +ATOM 2409 N ALA E 7 16.298 71.881 1.594 1.00 20.00 N +ATOM 2410 CA ALA E 7 16.085 71.483 2.981 1.00 20.00 C +ATOM 2411 CB ALA E 7 14.768 70.713 3.125 1.00 20.00 C +ATOM 2412 C ALA E 7 17.230 70.644 3.540 1.00 20.00 C +ATOM 2413 O ALA E 7 17.554 70.753 4.720 1.00 20.00 O +ATOM 2414 N ALA E 8 17.842 69.808 2.697 1.00 20.00 N +ATOM 2415 CA ALA E 8 18.949 68.960 3.127 1.00 20.00 C +ATOM 2416 CB ALA E 8 19.004 67.680 2.288 1.00 20.00 C +ATOM 2417 C ALA E 8 20.275 69.709 3.050 1.00 20.00 C +ATOM 2418 O ALA E 8 21.086 69.622 3.969 1.00 20.00 O +ATOM 2419 N ALA E 9 20.499 70.443 1.957 1.00 20.00 N +ATOM 2420 CA ALA E 9 21.735 71.199 1.781 1.00 20.00 C +ATOM 2421 CB ALA E 9 21.844 71.728 0.347 1.00 20.00 C +ATOM 2422 C ALA E 9 21.844 72.352 2.773 1.00 20.00 C +ATOM 2423 O ALA E 9 22.922 72.916 2.946 1.00 20.00 O +ATOM 2424 N ALA E 10 20.732 72.704 3.425 1.00 20.00 N +ATOM 2425 CA ALA E 10 20.725 73.793 4.396 1.00 20.00 C +ATOM 2426 CB ALA E 10 19.382 74.530 4.370 1.00 20.00 C +ATOM 2427 C ALA E 10 21.026 73.276 5.799 1.00 20.00 C +ATOM 2428 O ALA E 10 21.458 74.042 6.658 1.00 20.00 O +ATOM 2429 N ALA E 11 20.801 71.981 6.034 1.00 20.00 N +ATOM 2430 CA ALA E 11 21.055 71.383 7.340 1.00 20.00 C +ATOM 2431 CB ALA E 11 19.842 70.573 7.808 1.00 20.00 C +ATOM 2432 C ALA E 11 22.300 70.501 7.337 1.00 20.00 C +ATOM 2433 O ALA E 11 22.946 70.344 8.370 1.00 20.00 O +ATOM 2434 N ALA E 12 22.638 69.927 6.179 1.00 20.00 N +ATOM 2435 CA ALA E 12 23.809 69.065 6.065 1.00 20.00 C +ATOM 2436 CB ALA E 12 23.461 67.779 5.309 1.00 20.00 C +ATOM 2437 C ALA E 12 24.974 69.774 5.382 1.00 20.00 C +ATOM 2438 O ALA E 12 24.767 70.517 4.424 1.00 20.00 O +ATOM 2439 N ALA E 13 26.197 69.550 5.870 1.00 20.00 N +ATOM 2440 CA ALA E 13 27.380 70.178 5.293 1.00 20.00 C +ATOM 2441 CB ALA E 13 28.580 70.038 6.236 1.00 20.00 C +ATOM 2442 C ALA E 13 27.788 69.653 3.920 1.00 20.00 C +ATOM 2443 O ALA E 13 28.373 68.577 3.820 1.00 20.00 O +ATOM 2444 N ALA E 14 27.480 70.408 2.862 1.00 20.00 N +ATOM 2445 CA ALA E 14 27.823 70.001 1.503 1.00 20.00 C +ATOM 2446 CB ALA E 14 26.556 69.706 0.693 1.00 20.00 C +ATOM 2447 C ALA E 14 28.667 71.072 0.821 1.00 20.00 C +ATOM 2448 O ALA E 14 28.946 72.110 1.417 1.00 20.00 O +ATOM 2449 N ALA E 15 29.074 70.825 -0.428 1.00 20.00 N +ATOM 2450 CA ALA E 15 29.885 71.782 -1.173 1.00 20.00 C +ATOM 2451 CB ALA E 15 30.405 71.153 -2.470 1.00 20.00 C +ATOM 2452 C ALA E 15 29.091 73.050 -1.468 1.00 20.00 C +ATOM 2453 O ALA E 15 29.666 74.056 -1.879 1.00 20.00 O +ATOM 2454 N ALA E 16 27.772 73.006 -1.261 1.00 20.00 N +ATOM 2455 CA ALA E 16 26.918 74.163 -1.511 1.00 20.00 C +ATOM 2456 CB ALA E 16 25.463 73.726 -1.707 1.00 20.00 C +ATOM 2457 C ALA E 16 27.025 75.176 -0.377 1.00 20.00 C +ATOM 2458 O ALA E 16 26.607 74.894 0.744 1.00 20.00 O +ATOM 2459 N ALA E 17 27.585 76.356 -0.663 1.00 20.00 N +ATOM 2460 CA ALA E 17 27.737 77.397 0.348 1.00 20.00 C +ATOM 2461 CB ALA E 17 28.724 78.468 -0.126 1.00 20.00 C +ATOM 2462 C ALA E 17 26.390 78.024 0.693 1.00 20.00 C +ATOM 2463 O ALA E 17 26.229 78.581 1.777 1.00 20.00 O +ATOM 2464 N ALA E 18 25.422 77.937 -0.224 1.00 20.00 N +ATOM 2465 CA ALA E 18 24.097 78.502 0.004 1.00 20.00 C +ATOM 2466 CB ALA E 18 24.021 79.933 -0.539 1.00 20.00 C +ATOM 2467 C ALA E 18 23.053 77.598 -0.642 1.00 20.00 C +ATOM 2468 O ALA E 18 23.382 76.809 -1.526 1.00 20.00 O +ATOM 2469 N ALA E 19 21.795 77.709 -0.206 1.00 20.00 N +ATOM 2470 CA ALA E 19 20.718 76.893 -0.756 1.00 20.00 C +ATOM 2471 CB ALA E 19 19.704 76.532 0.335 1.00 20.00 C +ATOM 2472 C ALA E 19 20.027 77.604 -1.915 1.00 20.00 C +ATOM 2473 O ALA E 19 18.969 77.167 -2.363 1.00 20.00 O +ATOM 2474 N ALA E 20 20.620 78.697 -2.401 1.00 20.00 N +ATOM 2475 CA ALA E 20 20.044 79.453 -3.509 1.00 20.00 C +ATOM 2476 CB ALA E 20 20.606 80.878 -3.538 1.00 20.00 C +ATOM 2477 C ALA E 20 20.293 78.753 -4.841 1.00 20.00 C +ATOM 2478 O ALA E 20 21.249 77.992 -4.968 1.00 20.00 O +ATOM 2479 N ALA E 21 19.436 79.009 -5.834 1.00 20.00 N +ATOM 2480 CA ALA E 21 19.581 78.393 -7.149 1.00 20.00 C +ATOM 2481 CB ALA E 21 18.612 79.029 -8.151 1.00 20.00 C +ATOM 2482 C ALA E 21 21.018 78.504 -7.645 1.00 20.00 C +ATOM 2483 O ALA E 21 21.553 77.549 -8.203 1.00 20.00 O +ATOM 2484 N ALA E 22 21.646 79.666 -7.444 1.00 20.00 N +ATOM 2485 CA ALA E 22 23.022 79.880 -7.880 1.00 20.00 C +ATOM 2486 CB ALA E 22 23.402 81.359 -7.760 1.00 20.00 C +ATOM 2487 C ALA E 22 23.988 79.012 -7.081 1.00 20.00 C +ATOM 2488 O ALA E 22 24.959 78.499 -7.634 1.00 20.00 O +ATOM 2489 N ALA E 23 23.727 78.844 -5.781 1.00 20.00 N +ATOM 2490 CA ALA E 23 24.586 78.033 -4.925 1.00 20.00 C +ATOM 2491 CB ALA E 23 24.176 78.180 -3.456 1.00 20.00 C +ATOM 2492 C ALA E 23 24.555 76.567 -5.344 1.00 20.00 C +ATOM 2493 O ALA E 23 25.606 75.958 -5.534 1.00 20.00 O +ATOM 2494 N ALA E 24 23.355 75.999 -5.489 1.00 20.00 N +ATOM 2495 CA ALA E 24 23.211 74.602 -5.886 1.00 20.00 C +ATOM 2496 CB ALA E 24 21.731 74.227 -6.010 1.00 20.00 C +ATOM 2497 C ALA E 24 23.942 74.317 -7.194 1.00 20.00 C +ATOM 2498 O ALA E 24 24.652 73.319 -7.298 1.00 20.00 O +ATOM 2499 N ALA E 25 23.772 75.189 -8.192 1.00 20.00 N +ATOM 2500 CA ALA E 25 24.424 75.011 -9.485 1.00 20.00 C +ATOM 2501 CB ALA E 25 23.869 76.006 -10.509 1.00 20.00 C +ATOM 2502 C ALA E 25 25.943 75.141 -9.461 1.00 20.00 C +ATOM 2503 O ALA E 25 26.625 74.548 -10.294 1.00 20.00 O +ATOM 2504 N ALA E 26 26.476 75.914 -8.511 1.00 20.00 N +ATOM 2505 CA ALA E 26 27.918 76.107 -8.398 1.00 20.00 C +ATOM 2506 CB ALA E 26 28.231 77.376 -7.599 1.00 20.00 C +ATOM 2507 C ALA E 26 28.626 74.915 -7.763 1.00 20.00 C +ATOM 2508 O ALA E 26 29.854 74.864 -7.747 1.00 20.00 O +ATOM 2509 N ALA E 27 27.858 73.956 -7.239 1.00 20.00 N +ATOM 2510 CA ALA E 27 28.432 72.772 -6.607 1.00 20.00 C +ATOM 2511 CB ALA E 27 28.232 72.821 -5.089 1.00 20.00 C +ATOM 2512 C ALA E 27 27.832 71.496 -7.187 1.00 20.00 C +ATOM 2513 O ALA E 27 27.874 70.449 -6.546 1.00 20.00 O +ATOM 2514 N ALA E 28 27.273 71.579 -8.398 1.00 20.00 N +ATOM 2515 CA ALA E 28 26.670 70.419 -9.045 1.00 20.00 C +ATOM 2516 CB ALA E 28 26.030 70.818 -10.379 1.00 20.00 C +ATOM 2517 C ALA E 28 27.698 69.312 -9.253 1.00 20.00 C +ATOM 2518 O ALA E 28 27.329 68.150 -9.410 1.00 20.00 O +ATOM 2519 N ALA E 29 28.986 69.667 -9.255 1.00 20.00 N +ATOM 2520 CA ALA E 29 30.051 68.689 -9.445 1.00 20.00 C +ATOM 2521 CB ALA E 29 31.378 69.389 -9.753 1.00 20.00 C +ATOM 2522 C ALA E 29 30.175 67.798 -8.214 1.00 20.00 C +ATOM 2523 O ALA E 29 30.832 66.761 -8.267 1.00 20.00 O +ATOM 2524 N ALA E 30 29.546 68.198 -7.105 1.00 20.00 N +ATOM 2525 CA ALA E 30 29.599 67.422 -5.871 1.00 20.00 C +ATOM 2526 CB ALA E 30 30.093 68.289 -4.709 1.00 20.00 C +ATOM 2527 C ALA E 30 28.238 66.816 -5.548 1.00 20.00 C +ATOM 2528 O ALA E 30 28.008 66.382 -4.421 1.00 20.00 O +ATOM 2529 N ALA E 31 27.334 66.785 -6.531 1.00 20.00 N +ATOM 2530 CA ALA E 31 26.001 66.227 -6.330 1.00 20.00 C +ATOM 2531 CB ALA E 31 24.952 67.343 -6.283 1.00 20.00 C +ATOM 2532 C ALA E 31 25.603 65.207 -7.392 1.00 20.00 C +ATOM 2533 O ALA E 31 25.663 65.503 -8.583 1.00 20.00 O +ATOM 2534 N ALA E 32 25.198 64.008 -6.965 1.00 20.00 N +ATOM 2535 CA ALA E 32 24.795 62.959 -7.896 1.00 20.00 C +ATOM 2536 CB ALA E 32 25.818 61.818 -7.897 1.00 20.00 C +ATOM 2537 C ALA E 32 23.404 62.438 -7.551 1.00 20.00 C +ATOM 2538 O ALA E 32 22.874 62.752 -6.488 1.00 20.00 O +ATOM 2539 N ALA E 33 22.811 61.642 -8.446 1.00 20.00 N +ATOM 2540 CA ALA E 33 21.481 61.089 -8.217 1.00 20.00 C +ATOM 2541 CB ALA E 33 20.402 62.126 -8.543 1.00 20.00 C +ATOM 2542 C ALA E 33 21.247 59.817 -9.025 1.00 20.00 C +ATOM 2543 O ALA E 33 21.524 59.787 -10.222 1.00 20.00 O +ATOM 2544 N ALA E 34 20.737 58.766 -8.376 1.00 20.00 N +ATOM 2545 CA ALA E 34 20.474 57.501 -9.053 1.00 20.00 C +ATOM 2546 CB ALA E 34 21.648 56.534 -8.864 1.00 20.00 C +ATOM 2547 C ALA E 34 19.170 56.919 -8.518 1.00 20.00 C +ATOM 2548 O ALA E 34 18.539 57.517 -7.648 1.00 20.00 O +ATOM 2549 N ALA E 35 18.763 55.756 -9.034 1.00 20.00 N +ATOM 2550 CA ALA E 35 17.530 55.112 -8.594 1.00 20.00 C +ATOM 2551 CB ALA E 35 16.318 55.996 -8.907 1.00 20.00 C +ATOM 2552 C ALA E 35 17.380 53.739 -9.240 1.00 20.00 C +ATOM 2553 O ALA E 35 18.035 53.454 -10.241 1.00 20.00 O +ATOM 2554 N ALA E 36 16.520 52.888 -8.674 1.00 20.00 N +ATOM 2555 CA ALA E 36 16.300 51.549 -9.211 1.00 20.00 C +ATOM 2556 CB ALA E 36 16.631 50.485 -8.160 1.00 20.00 C +ATOM 2557 C ALA E 36 14.869 51.379 -9.709 1.00 20.00 C +ATOM 2558 O ALA E 36 13.939 51.905 -9.102 1.00 20.00 O +ATOM 2559 N ALA E 37 14.688 50.645 -10.810 1.00 20.00 N +ATOM 2560 CA ALA E 37 13.361 50.418 -11.372 1.00 20.00 C +ATOM 2561 CB ALA E 37 12.541 49.497 -10.462 1.00 20.00 C +ATOM 2562 C ALA E 37 12.631 51.737 -11.598 1.00 20.00 C +ATOM 2563 O ALA E 37 13.110 52.587 -12.346 1.00 20.00 O +ATOM 2564 N ALA E 38 11.472 51.912 -10.955 1.00 20.00 N +ATOM 2565 CA ALA E 38 10.692 53.137 -11.101 1.00 20.00 C +ATOM 2566 CB ALA E 38 9.427 53.075 -10.240 1.00 20.00 C +ATOM 2567 C ALA E 38 11.644 54.263 -10.712 1.00 20.00 C +ATOM 2568 O ALA E 38 11.452 55.404 -11.128 1.00 20.00 O +ATOM 2569 N ALA E 39 12.670 53.949 -9.917 1.00 20.00 N +ATOM 2570 CA ALA E 39 13.640 54.950 -9.485 1.00 20.00 C +ATOM 2571 CB ALA E 39 14.375 54.480 -8.225 1.00 20.00 C +ATOM 2572 C ALA E 39 14.626 55.256 -10.607 1.00 20.00 C +ATOM 2573 O ALA E 39 15.146 56.366 -10.685 1.00 20.00 O +ATOM 2574 N ALA E 40 14.885 54.275 -11.476 1.00 20.00 N +ATOM 2575 CA ALA E 40 15.813 54.460 -12.587 1.00 20.00 C +ATOM 2576 CB ALA E 40 16.035 53.139 -13.330 1.00 20.00 C +ATOM 2577 C ALA E 40 15.103 55.555 -13.376 1.00 20.00 C +ATOM 2578 O ALA E 40 15.687 56.604 -13.639 1.00 20.00 O +ATOM 2579 N ALA E 41 13.844 55.316 -13.755 1.00 20.00 N +ATOM 2580 CA ALA E 41 13.073 56.295 -14.514 1.00 20.00 C +ATOM 2581 CB ALA E 41 11.608 55.861 -14.621 1.00 20.00 C +ATOM 2582 C ALA E 41 13.191 57.671 -13.867 1.00 20.00 C +ATOM 2583 O ALA E 41 13.292 58.675 -14.568 1.00 20.00 O +ATOM 2584 N ALA E 42 13.180 57.721 -12.532 1.00 20.00 N +ATOM 2585 CA ALA E 42 13.287 58.985 -11.811 1.00 20.00 C +ATOM 2586 CB ALA E 42 13.075 58.768 -10.309 1.00 20.00 C +ATOM 2587 C ALA E 42 14.634 59.650 -12.072 1.00 20.00 C +ATOM 2588 O ALA E 42 14.698 60.864 -12.249 1.00 20.00 O +ATOM 2589 N ALA E 43 15.711 58.860 -12.096 1.00 20.00 N +ATOM 2590 CA ALA E 43 17.048 59.393 -12.337 1.00 20.00 C +ATOM 2591 CB ALA E 43 18.106 58.303 -12.140 1.00 20.00 C +ATOM 2592 C ALA E 43 17.152 59.995 -13.734 1.00 20.00 C +ATOM 2593 O ALA E 43 17.758 61.051 -13.906 1.00 20.00 O +ATOM 2594 N ALA E 44 16.564 59.330 -14.732 1.00 20.00 N +ATOM 2595 CA ALA E 44 16.602 59.817 -16.106 1.00 20.00 C +ATOM 2596 CB ALA E 44 16.003 58.781 -17.063 1.00 20.00 C +ATOM 2597 C ALA E 44 15.873 61.150 -16.234 1.00 20.00 C +ATOM 2598 O ALA E 44 16.343 62.046 -16.931 1.00 20.00 O +ATOM 2599 N ALA E 45 14.725 61.285 -15.563 1.00 20.00 N +ATOM 2600 CA ALA E 45 13.947 62.518 -15.616 1.00 20.00 C +ATOM 2601 CB ALA E 45 12.604 62.339 -14.901 1.00 20.00 C +ATOM 2602 C ALA E 45 14.725 63.682 -15.011 1.00 20.00 C +ATOM 2603 O ALA E 45 14.696 64.787 -15.547 1.00 20.00 O +ATOM 2604 N ALA E 46 15.420 63.438 -13.896 1.00 20.00 N +ATOM 2605 CA ALA E 46 16.200 64.479 -13.236 1.00 20.00 C +ATOM 2606 CB ALA E 46 16.681 63.995 -11.864 1.00 20.00 C +ATOM 2607 C ALA E 46 17.381 64.921 -14.093 1.00 20.00 C +ATOM 2608 O ALA E 46 17.671 66.112 -14.175 1.00 20.00 O +ATOM 2609 N ALA E 47 18.062 63.966 -14.733 1.00 20.00 N +ATOM 2610 CA ALA E 47 19.209 64.279 -15.579 1.00 20.00 C +ATOM 2611 CB ALA E 47 19.820 62.997 -16.154 1.00 20.00 C +ATOM 2612 C ALA E 47 18.816 65.235 -16.700 1.00 20.00 C +ATOM 2613 O ALA E 47 19.584 66.130 -17.045 1.00 20.00 O +ATOM 2614 N ALA E 48 17.622 65.050 -17.270 1.00 20.00 N +ATOM 2615 CA ALA E 48 17.147 65.908 -18.351 1.00 20.00 C +ATOM 2616 CB ALA E 48 15.987 65.204 -19.063 1.00 20.00 C +ATOM 2617 C ALA E 48 16.735 67.308 -17.910 1.00 20.00 C +ATOM 2618 O ALA E 48 16.870 68.260 -18.676 1.00 20.00 O +ATOM 2619 N ALA E 49 16.234 67.438 -16.678 1.00 20.00 N +ATOM 2620 CA ALA E 49 15.809 68.733 -16.156 1.00 20.00 C +ATOM 2621 CB ALA E 49 14.306 68.674 -15.866 1.00 20.00 C +ATOM 2622 C ALA E 49 16.576 69.200 -14.923 1.00 20.00 C +ATOM 2623 O ALA E 49 16.108 70.079 -14.204 1.00 20.00 O +ATOM 2624 N ALA E 50 17.751 68.615 -14.677 1.00 20.00 N +ATOM 2625 CA ALA E 50 18.566 68.986 -13.525 1.00 20.00 C +ATOM 2626 CB ALA E 50 18.258 68.031 -12.368 1.00 20.00 C +ATOM 2627 C ALA E 50 20.064 69.016 -13.812 1.00 20.00 C +ATOM 2628 O ALA E 50 20.870 68.981 -12.885 1.00 20.00 O +ATOM 2629 N ALA E 51 20.439 69.080 -15.093 1.00 20.00 N +ATOM 2630 CA ALA E 51 21.845 69.114 -15.479 1.00 20.00 C +ATOM 2631 CB ALA E 51 21.978 69.221 -17.001 1.00 20.00 C +ATOM 2632 C ALA E 51 22.583 70.259 -14.794 1.00 20.00 C +ATOM 2633 O ALA E 51 23.794 70.183 -14.599 1.00 20.00 O +ATOM 2634 N ALA E 52 21.858 71.320 -14.428 1.00 20.00 N +ATOM 2635 CA ALA E 52 22.464 72.471 -13.766 1.00 20.00 C +ATOM 2636 CB ALA E 52 21.654 73.738 -14.060 1.00 20.00 C +ATOM 2637 C ALA E 52 22.591 72.252 -12.262 1.00 20.00 C +ATOM 2638 O ALA E 52 23.174 73.080 -11.566 1.00 20.00 O +ATOM 2639 N ALA E 53 22.047 71.141 -11.758 1.00 20.00 N +ATOM 2640 CA ALA E 53 22.111 70.834 -10.333 1.00 20.00 C +ATOM 2641 CB ALA E 53 20.702 70.750 -9.740 1.00 20.00 C +ATOM 2642 C ALA E 53 22.878 69.540 -10.080 1.00 20.00 C +ATOM 2643 O ALA E 53 23.677 69.469 -9.148 1.00 20.00 O +ATOM 2644 N ALA E 54 22.638 68.517 -10.905 1.00 20.00 N +ATOM 2645 CA ALA E 54 23.317 67.234 -10.752 1.00 20.00 C +ATOM 2646 CB ALA E 54 22.306 66.083 -10.788 1.00 20.00 C +ATOM 2647 C ALA E 54 24.382 67.045 -11.827 1.00 20.00 C +ATOM 2648 O ALA E 54 24.204 67.496 -12.956 1.00 20.00 O +ATOM 2649 N ALA E 55 25.488 66.381 -11.480 1.00 20.00 N +ATOM 2650 CA ALA E 55 26.570 66.145 -12.431 1.00 20.00 C +ATOM 2651 CB ALA E 55 27.850 66.845 -11.963 1.00 20.00 C +ATOM 2652 C ALA E 55 26.819 64.655 -12.639 1.00 20.00 C +ATOM 2653 O ALA E 55 27.223 64.244 -13.724 1.00 20.00 O +ATOM 2654 N ALA E 56 26.579 63.845 -11.604 1.00 20.00 N +ATOM 2655 CA ALA E 56 26.783 62.403 -11.695 1.00 20.00 C +ATOM 2656 CB ALA E 56 27.750 61.924 -10.608 1.00 20.00 C +ATOM 2657 C ALA E 56 25.455 61.660 -11.598 1.00 20.00 C +ATOM 2658 O ALA E 56 24.680 61.901 -10.675 1.00 20.00 O +ATOM 2659 N ALA E 57 25.190 60.757 -12.546 1.00 20.00 N +ATOM 2660 CA ALA E 57 23.949 59.990 -12.548 1.00 20.00 C +ATOM 2661 CB ALA E 57 23.146 60.284 -13.819 1.00 20.00 C +ATOM 2662 C ALA E 57 24.213 58.494 -12.415 1.00 20.00 C +ATOM 2663 O ALA E 57 25.277 58.018 -12.804 1.00 20.00 O +ATOM 2664 N ALA E 58 23.248 57.750 -11.867 1.00 20.00 N +ATOM 2665 CA ALA E 58 23.396 56.309 -11.692 1.00 20.00 C +ATOM 2666 CB ALA E 58 24.036 55.994 -10.336 1.00 20.00 C +ATOM 2667 C ALA E 58 22.053 55.601 -11.829 1.00 20.00 C +ATOM 2668 O ALA E 58 21.517 55.100 -10.843 1.00 20.00 O +ATOM 2669 N ALA E 59 21.507 55.557 -13.047 1.00 20.00 N +ATOM 2670 CA ALA E 59 20.225 54.904 -13.290 1.00 20.00 C +ATOM 2671 CB ALA E 59 19.629 55.303 -14.644 1.00 20.00 C +ATOM 2672 C ALA E 59 20.424 53.394 -13.216 1.00 20.00 C +ATOM 2673 O ALA E 59 21.261 52.847 -13.930 1.00 20.00 O +ATOM 2674 N ALA E 60 19.658 52.719 -12.354 1.00 20.00 N +ATOM 2675 CA ALA E 60 19.766 51.272 -12.203 1.00 20.00 C +ATOM 2676 CB ALA E 60 20.401 50.927 -10.852 1.00 20.00 C +ATOM 2677 C ALA E 60 18.412 50.587 -12.350 1.00 20.00 C +ATOM 2678 O ALA E 60 17.423 51.047 -11.783 1.00 20.00 O +ATOM 2679 N ALA E 61 18.362 49.488 -13.108 1.00 20.00 N +ATOM 2680 CA ALA E 61 17.118 48.754 -13.315 1.00 20.00 C +ATOM 2681 CA ALA F 1 5.231 61.021 -9.291 1.00 20.00 C +ATOM 2682 C ALA F 1 6.704 60.780 -9.605 1.00 20.00 C +ATOM 2683 O ALA F 1 7.486 61.726 -9.658 1.00 20.00 O +ATOM 2684 N ALA F 2 7.085 59.516 -9.813 1.00 20.00 N +ATOM 2685 CA ALA F 2 8.469 59.174 -10.120 1.00 20.00 C +ATOM 2686 CB ALA F 2 8.626 57.658 -10.283 1.00 20.00 C +ATOM 2687 C ALA F 2 8.959 59.894 -11.372 1.00 20.00 C +ATOM 2688 O ALA F 2 10.149 59.858 -11.678 1.00 20.00 O +ATOM 2689 N ALA F 3 8.047 60.547 -12.098 1.00 20.00 N +ATOM 2690 CA ALA F 3 8.407 61.269 -13.313 1.00 20.00 C +ATOM 2691 CB ALA F 3 7.441 60.925 -14.451 1.00 20.00 C +ATOM 2692 C ALA F 3 8.433 62.774 -13.066 1.00 20.00 C +ATOM 2693 O ALA F 3 9.082 63.509 -13.806 1.00 20.00 O +ATOM 2694 N ALA F 4 7.728 63.234 -12.028 1.00 20.00 N +ATOM 2695 CA ALA F 4 7.683 64.656 -11.702 1.00 20.00 C +ATOM 2696 CB ALA F 4 6.233 65.136 -11.587 1.00 20.00 C +ATOM 2697 C ALA F 4 8.447 64.951 -10.416 1.00 20.00 C +ATOM 2698 O ALA F 4 8.352 66.053 -9.881 1.00 20.00 O +ATOM 2699 N ALA F 5 9.206 63.970 -9.918 1.00 20.00 N +ATOM 2700 CA ALA F 5 9.979 64.146 -8.693 1.00 20.00 C +ATOM 2701 CB ALA F 5 10.690 62.844 -8.312 1.00 20.00 C +ATOM 2702 C ALA F 5 10.985 65.284 -8.838 1.00 20.00 C +ATOM 2703 O ALA F 5 11.134 66.095 -7.927 1.00 20.00 O +ATOM 2704 N ALA F 6 11.675 65.346 -9.980 1.00 20.00 N +ATOM 2705 CA ALA F 6 12.662 66.393 -10.224 1.00 20.00 C +ATOM 2706 CB ALA F 6 12.994 66.484 -11.716 1.00 20.00 C +ATOM 2707 C ALA F 6 12.175 67.739 -9.701 1.00 20.00 C +ATOM 2708 O ALA F 6 12.931 68.459 -9.052 1.00 20.00 O +ATOM 2709 N ALA F 7 10.914 68.083 -9.980 1.00 20.00 N +ATOM 2710 CA ALA F 7 10.347 69.350 -9.529 1.00 20.00 C +ATOM 2711 CB ALA F 7 8.913 69.511 -10.042 1.00 20.00 C +ATOM 2712 C ALA F 7 10.394 69.445 -8.008 1.00 20.00 C +ATOM 2713 O ALA F 7 10.682 70.510 -7.466 1.00 20.00 O +ATOM 2714 N ALA F 8 10.111 68.337 -7.317 1.00 20.00 N +ATOM 2715 CA ALA F 8 10.127 68.317 -5.859 1.00 20.00 C +ATOM 2716 CB ALA F 8 9.425 67.071 -5.309 1.00 20.00 C +ATOM 2717 C ALA F 8 11.567 68.384 -5.363 1.00 20.00 C +ATOM 2718 O ALA F 8 11.840 69.014 -4.344 1.00 20.00 O +ATOM 2719 N ALA F 9 12.490 67.737 -6.081 1.00 20.00 N +ATOM 2720 CA ALA F 9 13.898 67.736 -5.697 1.00 20.00 C +END diff --git a/tracking/viewers/pv/Gruntfile.js b/tracking/viewers/pv/Gruntfile.js new file mode 100644 index 000000000..66aede75b --- /dev/null +++ b/tracking/viewers/pv/Gruntfile.js @@ -0,0 +1,172 @@ +SOURCE_FILES = [ + 'src/buffer-allocators.js', + 'src/color.js', + 'src/geom.js', + 'src/gfx/animation.js', + 'src/gfx/base-geom.js', + 'src/gfx/cam.js', + 'src/gfx/canvas.js', + 'src/gfx/chain-data.js', + 'src/gfx/custom-mesh.js', + 'src/gfx/framebuffer.js', + 'src/gfx/geom-builders.js', + 'src/gfx/indexed-vertex-array.js', + 'src/gfx/label.js', + 'src/gfx/line-geom.js', + 'src/gfx/mesh-geom.js', + 'src/gfx/billboard-geom.js', + 'src/gfx/render.js', + 'src/gfx/scene-node.js', + 'src/gfx/shaders.js', + 'src/gfx/vert-assoc.js', + 'src/gfx/vertex-array-base.js', + 'src/gfx/vertex-array.js', + 'src/io.js', + 'src/mol/all.js', + 'src/mol/atom.js', + 'src/mol/bond.js', + 'src/mol/chain.js', + 'src/mol/mol.js', + 'src/mol/residue.js', + 'src/mol/select.js', + 'src/mol/trace.js', + 'src/mol/symmetry.js', + 'src/mol/supoerpose.js', + 'src/pv.js', + 'src/slab.js', + 'src/mouse.js', + 'src/touch.js', + 'src/unique-object-id-pool.js', + 'src/utils.js', + 'src/viewer.js', + 'src/viewpoint.js', + 'src/traj.js', +]; + +ALL_FILES = ['src/gl-matrix.js']; +Array.prototype.push.apply(ALL_FILES, SOURCE_FILES); + + + +var END_SNIPPET='return pv; }));'; + +module.exports = function(grunt) { + + var pkg = grunt.file.readJSON('package.json'); + var BANNER='/**\n\ + * PV - WebGL protein viewer v' + pkg.version + '\n\ + * http://biasmv.github.io/pv\n\ + * \n\ + * Copyright 2013-2015 Marco Biasini\n\ + * Released under the MIT license\n\ + */\n'; + + var START_SNIPPET=BANNER+"\n\ + (function (root, factory) {\n\ + if (typeof define === 'function' && define.amd) {\n\ + define([], factory);\n\ + } else if (typeof exports === 'object') { \n\ + exports = factory(); \n\ + if (typeof module === 'object') { \n\ + module.exports = exports; \n\ + } \n\ + } else {\n\ + var pv = factory();\n\ + root.pv = pv;\n\ + root.io = pv.io;\n\ + root.mol = pv.mol;\n\ + root.color = pv.color;\n\ + root.rgb = pv.rgb;\n\ + root.viewpoint = pv.viewpoint;\n\ + root.vec3 = pv.vec3;\n\ + root.vec4 = pv.vec4;\n\ + root.mat3 = pv.mat3;\n\ + root.mat4 = pv.mat4;\n\ + root.quat = pv.quat;\n\ + }\n\ + }(this, function () {\n\ + // modules will be inlined here\n\ + "; + // Project configuration. + grunt.initConfig({ + pkg: pkg, + uglify: { + options: { + banner: BANNER, + preserveComments : false, + report : 'min' + }, + build: { + src: 'js/bio-pv.rel.js', + dest: 'js/bio-pv.min.js' + } + }, + jshint : { + options: { + multistr :true, + curly : true, + eqeqeq : true, + forin : true, + maxlen: 80, + /*freeze : true, */ + immed : true, + latedef : true, + undef : true, + browser : true, + devel : true, + predef : [ 'define' ], + unused : true + }, + all : SOURCE_FILES + }, + + removelogging : { + dist : { + src : 'js/bio-pv.dbg.js', + dest : 'js/bio-pv.rel.js', + } + }, + requirejs: { + js : { options : { + findNestedDependencies : true, + baseUrl : 'src', + optimize: 'none', + skipModuleInsertion : true, + include: ['pv'], + out : 'js/bio-pv.dbg.js', + onModuleBundleComplete : function(data) { + var fs = require('fs'), + amdclean = require('amdclean'), + outputFile = data.path; + fs.writeFileSync(outputFile, amdclean.clean({ + filePath: outputFile, + transformAMDChecks : false, + aggressiveOptimizations : true, + createAnonymousAMDModule : true, + prefixMode : 'camelCase', + escodegen : { + comment : false, + }, + wrap : { + start : START_SNIPPET, + end : END_SNIPPET + } + + })); + }, + }} + } + }); + + // Load the plugin that provides the "uglify" task. + grunt.loadNpmTasks('grunt-contrib-uglify'); + grunt.loadNpmTasks('grunt-contrib-jshint'); + grunt.loadNpmTasks('grunt-contrib-concat'); + grunt.loadNpmTasks('grunt-remove-logging'); + grunt.loadNpmTasks('grunt-contrib-requirejs'); + + // Default task(s). + grunt.registerTask('default', [ + 'jshint', 'requirejs:js', 'removelogging', 'uglify' + ]); +}; diff --git a/tracking/viewers/pv/LICENSE.txt b/tracking/viewers/pv/LICENSE.txt new file mode 100644 index 000000000..e8e0dbe07 --- /dev/null +++ b/tracking/viewers/pv/LICENSE.txt @@ -0,0 +1,20 @@ +The MIT License (MIT) + +Copyright (c) 2013-2015 Marco Biasini + +Permission is hereby granted, free of charge, to any person obtaining a copy of +this software and associated documentation files (the "Software"), to deal in +the Software without restriction, including without limitation the rights to +use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of +the Software, and to permit persons to whom the Software is furnished to do so, +subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS +FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR +COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER +IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN +CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. diff --git a/tracking/viewers/pv/README.md b/tracking/viewers/pv/README.md new file mode 100644 index 000000000..4ea86e1c1 --- /dev/null +++ b/tracking/viewers/pv/README.md @@ -0,0 +1,168 @@ +pv - WebGL protein viewer +========================================= + +`pv` is a WebGL-based protein viewer whose goal is to once-for-all end the reign of Java applets on websites that require visualisation of protein structures. It's not you Java, it's all the annoying security popups and slow loading times. `pv` implements all major render modes that you would expect, and supports custom color schemes. + +Because there is nothing worse than an unresponsive website, `pv` has been implemented with maximum performance in mind. Even very large macromolecules can be visualised at interactive framerates. + + +Trying it out +----------------------------------------- + +You can try the [online demo](http://biasmv.github.io/pv/demo.html) or run it locally on your computer. + +Clone this repository + +```bash +git clone https://github.com/biasmv/pv.git +``` + +Change to the `pv` directory and serve the files using the serve script in the source directory. This will start a simple static-file server using Python's SimpleHTTPServer module. + +```bash +cd pv +./serve +``` + +Open a WebGL-enabled web browser and visit http://localhost:8000 + +Want to use PV on your website? +---------------------------------------- + +I would love you to! Most features you would expect from a protein viewer are already present and working. One considerations is important though: + + * WebGL is only supported in a subset of browsers. If you can afford to lose users of IE and older versions of browsers, `pv` is a good solution for protein visualisation. + +Citing PV? +---------------------------------------- + +I'm planning on writing a small application note, but in the mean time, use the following DOI for citing PV in your work. + +[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.20980.svg)](http://dx.doi.org/10.5281/zenodo.20980) + + + +Contributing +----------------------------------------- + +Contributions of any kind (bugfixes, documentation, new features, etc.) are more than welcome. Just file bugs or open a pull request. Before submitting pull requests, please make sure to follow these [guide-lines](https://github.com/biasmv/pv/blob/master/CONTRIBUTE.md). + + +Acknowledgements +---------------------------------------- + +PV uses the amazing [gl-matrix](https://github.com/toji/gl-matrix) JavaScript library for matrix and vector operations. + + +Thanks to @Traksewt, @kozmad, @greenify for their contributions + +Documentation +--------------------------------------- + +Documentation for `pv` is available [here](http://pv.readthedocs.org). + +Changelog +---------------------------------------- + +# New since latest release + +- Added experimental viewpointChanged event to viewer that allows to synchronize the orientation of two viewers. +- Inverted color of rainbow gradient. +- Add missing prop implementation for atom view. +- Add very basic extension/plugin mechanism. +- Getters for getting rotation/center. +- Add a billboard-based sphere shader. This improves rendering speed when rendering whole structures using spheres. They also look much smoother. +- Objects with an opacity of 0 can no longer be picked. +- Support pan by middle-click. + +# New in Version 1.8.1 + +- A few additional improvements to outline rendering quality +- Made a few tweaks to documentation + +# New in Version 1.8.0 + +- Implement screen-door transparency as an alternative to alpha-based transparency. To enable screen-door transparency, pass transparency : 'screendoor' when constructing the viewer. +- Added special selection highlighting render mode. +- Improve handling of click event by only firing click events when the mouse button is pressed/released within a short timespan. +- Improve rendering of outline by properly scaling the extrusion factor based on the size of the GL canvas. +- Added more sample code to documentation + +# New in Version 1.7.2 + +- Made a few changes to the samples contained in the docs that don't work for some people. There is no functionality change on the code-level, that's why there is no 1.7.2 release. + +# New in Version 1.7.1 + +- Added bower.json to release package so people can install PV using bower. This only works for release packages, but not the git repository itself. + +### New in Version 1.7.0 + +- PDB import: Improved code to guess element from atom name. This fixes issues in correctly detecting hydrogen atoms for some cases. +- Add support for click events on custom meshes +- Deprecated atomDoubleClick/atomClick events in favor of click/doubleClicked to make it clearer that the target of the click event might be objects other than atoms. +- Simplified the picking results object. The picking results now provides the position of the clicked object as the ```pos()``` property. It is no longer required to transform the atom position by the symmetry transformation matrix when displaying biological units. +- Support for loading multi-model pdb files. +- Added functionality to superpose two structures using least-square fitting + +### New in Version 1.6.0 + +- Added option to set field of view (FOV) +- Added "points" rendering mode in which every atom is rendered as a point. This is useful for rendering point clouds. +- Get BioJS snippets working again (@greenify) + +### New in Version 1.5.0 + +- Added Viewer.spin command to spin the camera around an axis +- Relax some limits on number of elements that could be rendered at full connectivity level. Now it would theoretically be possible to render 2^24 atoms, even though the amount of geometry is likely to take down the browser. +- Fix rendering for very long RNA molecules that broke some assumptions in the cartoon rendering code (1J5E, for example see issue [#82](https://github.com/biasmv/pv/issues/82)). +- Improve heuristics to determine whether two residues belong to the same trace by not introducing trace breaks in case the residues are connected by a bond. This allows users to manually set bonds in case they have other means of knowing that two residues are to part of the same trace ([#83](https://github.com/biasmv/pv/issues/83)). + +### New in Version 1.4.0 + +- Basic support RNA/DNA rendering for all render modes +- Multi-touch support for iOS and Android (with contributions by @kozmad, @lordvlad) +- improved visual clarity of text labels +- use correct line width when manual anti-aliasing is enabled. +- text labels can now be styled (color, font-family, font-weight, size) +- reduced file size of minified JavaScript file by a little more than 10% +- ability to add geometric shapes to the 3D scene through customMesh +- ability to specify custom color palettes (@andreasprlic) +- viewerReady event (@andreasprlic) +- PV can optionally be used as an AMD module without polluting the global namespace +- added more unit and functional tests. The tests reach a coverage of 80% of the total number of exectuable lines of code. +- support for loading small molecules from SDF files + +### New in Version 1.3.1 + +- fix bug in strand smoothing which would cause residues at the beginning of the trace to get collapsed. +- rendering: check for null slab object to allow drawing to work when no objects are visible. + +### New in Version 1.3 + +- publish it as an npm module +- PDB IO: parse insertion codes +- add method to retrieve current color of atom. This is useful for highlighting purposes, where the color of certain atoms is temporarily changed and then reverted back to the original. +- smoothing of strands when rendering as helix, strand, coil cartoon +- implement proper strand "arrows" +- improved auto-slabbing when the rendered objects are off-center + +### New in Version 1.2 + +- add transparancy support to mesh and line geoms (@kozmad) +- substantial speed improvements through implementation of buffer pool for typed arrays. +- method to assign secondary structure based on carbon-alpha positions +- improved documentation +- improve dictionary selection +- support for adding text labels to the 3D scene +- autoZoom to fit structure into viewport +- work around uint16 buffer limit of WebGL by automatically splitting the geometry of large molecules into multiple buffers +- support for different color notations, e.g. hex, color names. +- support for displaying molecular assemblies, including support for picking of symmetry-related copies +- implement different slab-modes +- rudimentary support for rendering MSMS surfaces in the browser. Requires conversion to binary format first. +- adding customisable animation time (@Traksewt) +- add customizable atom picking events (double and single click) (@Traksewt) +- improved animation support (@Traksewt) +- customizable background color (@Traksewt) + diff --git a/tracking/viewers/pv/all-tests.html b/tracking/viewers/pv/all-tests.html new file mode 100644 index 000000000..327337890 --- /dev/null +++ b/tracking/viewers/pv/all-tests.html @@ -0,0 +1,42 @@ + + + + + + All PV Functional and Unit Tests + + + + + + +
        +
        +
        +
        +
        +
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c*c+d*d+e*e+f*f},g.sqrDist=g.squaredDistance,g.length=function(a){var b=a[0],c=a[1],d=a[2],e=a[3];return Math.sqrt(b*b+c*c+d*d+e*e)},g.len=g.length,g.squaredLength=function(a){var b=a[0],c=a[1],d=a[2],e=a[3];return b*b+c*c+d*d+e*e},g.sqrLen=g.squaredLength,g.negate=function(a,b){return a[0]=-b[0],a[1]=-b[1],a[2]=-b[2],a[3]=-b[3],a},g.normalize=function(a,b){var c=b[0],d=b[1],e=b[2],f=b[3],g=c*c+d*d+e*e+f*f;return g>0&&(g=1/Math.sqrt(g),a[0]=b[0]*g,a[1]=b[1]*g,a[2]=b[2]*g,a[3]=b[3]*g),a},g.dot=function(a,b){return a[0]*b[0]+a[1]*b[1]+a[2]*b[2]+a[3]*b[3]},g.lerp=function(a,b,c,d){var e=b[0],f=b[1],g=b[2],h=b[3];return a[0]=e+d*(c[0]-e),a[1]=f+d*(c[1]-f),a[2]=g+d*(c[2]-g),a[3]=h+d*(c[3]-h),a},g.random=function(a,b){return b=b||1,a[0]=d(),a[1]=d(),a[2]=d(),a[3]=d(),g.normalize(a,a),g.scale(a,a,b),a},g.transformMat4=function(a,b,c){var d=b[0],e=b[1],f=b[2],g=b[3];return a[0]=c[0]*d+c[4]*e+c[8]*f+c[12]*g,a[1]=c[1]*d+c[5]*e+c[9]*f+c[13]*g,a[2]=c[2]*d+c[6]*e+c[10]*f+c[14]*g,a[3]=c[3]*d+c[7]*e+c[11]*f+c[15]*g,a},g.transformQuat=function(a,b,c){var d=b[0],e=b[1],f=b[2],g=c[0],h=c[1],i=c[2],j=c[3],k=j*d+h*f-i*e,l=j*e+i*d-g*f,m=j*f+g*e-h*d,n=-g*d-h*e-i*f;return a[0]=k*j+n*-g+l*-i-m*-h,a[1]=l*j+n*-h+m*-g-k*-i,a[2]=m*j+n*-i+k*-h-l*-g,a},g.forEach=function(){var a=g.create();return function(b,c,d,e,f,g){var h,i;for(c||(c=4),d||(d=0),i=e?Math.min(e*c+d,b.length):b.length,h=d;i>h;h+=c)a[0]=b[h],a[1]=b[h+1],a[2]=b[h+2],a[3]=b[h+3],f(a,a,g),b[h]=a[0],b[h+1]=a[1],b[h+2]=a[2],b[h+3]=a[3];return b}}(),g.str=function(a){return"vec4("+a[0]+", "+a[1]+", "+a[2]+", "+a[3]+")"},a.vec4=g;var h={};h.create=function(){var a=new c(9);return a[0]=1,a[1]=0,a[2]=0,a[3]=0,a[4]=1,a[5]=0,a[6]=0,a[7]=0,a[8]=1,a},h.fromMat4=function(a,b){return a[0]=b[0],a[1]=b[1],a[2]=b[2],a[3]=b[4],a[4]=b[5],a[5]=b[6],a[6]=b[8],a[7]=b[9],a[8]=b[10],a},h.clone=function(a){var b=new c(9);return b[0]=a[0],b[1]=a[1],b[2]=a[2],b[3]=a[3],b[4]=a[4],b[5]=a[5],b[6]=a[6],b[7]=a[7],b[8]=a[8],b},h.copy=function(a,b){return a[0]=b[0],a[1]=b[1],a[2]=b[2],a[3]=b[3],a[4]=b[4],a[5]=b[5],a[6]=b[6],a[7]=b[7],a[8]=b[8],a},h.identity=function(a){return a[0]=1,a[1]=0,a[2]=0,a[3]=0,a[4]=1,a[5]=0,a[6]=0,a[7]=0,a[8]=1,a},h.transpose=function(a,b){if(a===b){var c=b[1],d=b[2],e=b[5];a[1]=b[3],a[2]=b[6],a[3]=c,a[5]=b[7],a[6]=d,a[7]=e}else a[0]=b[0],a[1]=b[3],a[2]=b[6],a[3]=b[1],a[4]=b[4],a[5]=b[7],a[6]=b[2],a[7]=b[5],a[8]=b[8];return a},h.invert=function(a,b){var c=b[0],d=b[1],e=b[2],f=b[3],g=b[4],h=b[5],i=b[6],j=b[7],k=b[8],l=k*g-h*j,m=-k*f+h*i,n=j*f-g*i,o=c*l+d*m+e*n;return o?(o=1/o,a[0]=l*o,a[1]=(-k*d+e*j)*o,a[2]=(h*d-e*g)*o,a[3]=m*o,a[4]=(k*c-e*i)*o,a[5]=(-h*c+e*f)*o,a[6]=n*o,a[7]=(-j*c+d*i)*o,a[8]=(g*c-d*f)*o,a):null},h.adjoint=function(a,b){var c=b[0],d=b[1],e=b[2],f=b[3],g=b[4],h=b[5],i=b[6],j=b[7],k=b[8];return a[0]=g*k-h*j,a[1]=e*j-d*k,a[2]=d*h-e*g,a[3]=h*i-f*k,a[4]=c*k-e*i,a[5]=e*f-c*h,a[6]=f*j-g*i,a[7]=d*i-c*j,a[8]=c*g-d*f,a},h.determinant=function(a){var b=a[0],c=a[1],d=a[2],e=a[3],f=a[4],g=a[5],h=a[6],i=a[7],j=a[8];return b*(j*f-g*i)+c*(-j*e+g*h)+d*(i*e-f*h)},h.multiply=function(a,b,c){var d=b[0],e=b[1],f=b[2],g=b[3],h=b[4],i=b[5],j=b[6],k=b[7],l=b[8],m=c[0],n=c[1],o=c[2],p=c[3],q=c[4],r=c[5],s=c[6],t=c[7],u=c[8];return a[0]=m*d+n*g+o*j,a[1]=m*e+n*h+o*k,a[2]=m*f+n*i+o*l,a[3]=p*d+q*g+r*j,a[4]=p*e+q*h+r*k,a[5]=p*f+q*i+r*l,a[6]=s*d+t*g+u*j,a[7]=s*e+t*h+u*k,a[8]=s*f+t*i+u*l,a},h.mul=h.multiply,h.translate=function(a,b,c){var d=b[0],e=b[1],f=b[2],g=b[3],h=b[4],i=b[5],j=b[6],k=b[7],l=b[8],m=c[0],n=c[1];return a[0]=d,a[1]=e,a[2]=f,a[3]=g,a[4]=h,a[5]=i,a[6]=m*d+n*g+j,a[7]=m*e+n*h+k,a[8]=m*f+n*i+l,a},h.rotate=function(a,b,c){var d=b[0],e=b[1],f=b[2],g=b[3],h=b[4],i=b[5],j=b[6],k=b[7],l=b[8],m=Math.sin(c),n=Math.cos(c);return a[0]=n*d+m*g,a[1]=n*e+m*h,a[2]=n*f+m*i,a[3]=n*g-m*d,a[4]=n*h-m*e,a[5]=n*i-m*f,a[6]=j,a[7]=k,a[8]=l,a},h.fromQuat=function(a,b){var c=b[0],d=b[1],e=b[2],f=b[3],g=c+c,h=d+d,i=e+e,j=c*g,k=c*h,l=c*i,m=d*h,n=d*i,o=e*i,p=f*g,q=f*h,r=f*i;return a[0]=1-(m+o),a[3]=k+r,a[6]=l-q,a[1]=k-r,a[4]=1-(j+o),a[7]=n+p,a[2]=l+q,a[5]=n-p,a[8]=1-(j+m),a},h.normalFromMat4=function(a,b){var c=b[0],d=b[1],e=b[2],f=b[3],g=b[4],h=b[5],i=b[6],j=b[7],k=b[8],l=b[9],m=b[10],n=b[11],o=b[12],p=b[13],q=b[14],r=b[15],s=c*h-d*g,t=c*i-e*g,u=c*j-f*g,v=d*i-e*h,w=d*j-f*h,x=e*j-f*i,y=k*p-l*o,z=k*q-m*o,A=k*r-n*o,B=l*q-m*p,C=l*r-n*p,D=m*r-n*q,E=s*D-t*C+u*B+v*A-w*z+x*y;return E?(E=1/E,a[0]=(h*D-i*C+j*B)*E,a[1]=(i*A-g*D-j*z)*E,a[2]=(g*C-h*A+j*y)*E,a[3]=(e*C-d*D-f*B)*E,a[4]=(c*D-e*A+f*z)*E,a[5]=(d*A-c*C-f*y)*E,a[6]=(p*x-q*w+r*v)*E,a[7]=(q*u-o*x-r*t)*E,a[8]=(o*w-p*u+r*s)*E,a):null},h.str=function(a){return"mat3("+a[0]+", "+a[1]+", "+a[2]+", "+a[3]+", "+a[4]+", "+a[5]+", "+a[6]+", "+a[7]+", "+a[8]+")"},a.mat3=h;var i={};i.create=function(){var a=new c(16);return a[0]=1,a[1]=0,a[2]=0,a[3]=0,a[4]=0,a[5]=1,a[6]=0,a[7]=0,a[8]=0,a[9]=0,a[10]=1,a[11]=0,a[12]=0,a[13]=0,a[14]=0,a[15]=1,a},i.fromValues=function(a,b,d,e,f,g,h,i,j,k,l,m,n,o,p,q){var r=new c(16);return r[0]=a,r[1]=b,r[2]=d,r[3]=e,r[4]=f,r[5]=g,r[6]=h,r[7]=i,r[8]=j,r[9]=k,r[10]=l,r[11]=m,r[12]=n,r[13]=o,r[14]=p,r[15]=q,r},i.clone=function(a){var b=new c(16);return b[0]=a[0],b[1]=a[1],b[2]=a[2],b[3]=a[3],b[4]=a[4],b[5]=a[5],b[6]=a[6],b[7]=a[7],b[8]=a[8],b[9]=a[9],b[10]=a[10],b[11]=a[11],b[12]=a[12],b[13]=a[13],b[14]=a[14],b[15]=a[15],b},i.copy=function(a,b){return a[0]=b[0],a[1]=b[1],a[2]=b[2],a[3]=b[3],a[4]=b[4],a[5]=b[5],a[6]=b[6],a[7]=b[7],a[8]=b[8],a[9]=b[9],a[10]=b[10],a[11]=b[11],a[12]=b[12],a[13]=b[13],a[14]=b[14],a[15]=b[15],a},i.identity=function(a){return a[0]=1,a[1]=0,a[2]=0,a[3]=0,a[4]=0,a[5]=1,a[6]=0,a[7]=0,a[8]=0,a[9]=0,a[10]=1,a[11]=0,a[12]=0,a[13]=0,a[14]=0,a[15]=1,a},i.transpose=function(a,b){if(a===b){var c=b[1],d=b[2],e=b[3],f=b[6],g=b[7],h=b[11];a[1]=b[4],a[2]=b[8],a[3]=b[12],a[4]=c,a[6]=b[9],a[7]=b[13],a[8]=d,a[9]=f,a[11]=b[14],a[12]=e,a[13]=g,a[14]=h}else a[0]=b[0],a[1]=b[4],a[2]=b[8],a[3]=b[12],a[4]=b[1],a[5]=b[5],a[6]=b[9],a[7]=b[13],a[8]=b[2],a[9]=b[6],a[10]=b[10],a[11]=b[14],a[12]=b[3],a[13]=b[7],a[14]=b[11],a[15]=b[15];return a},i.invert=function(a,b){var c=b[0],d=b[1],e=b[2],f=b[3],g=b[4],h=b[5],i=b[6],j=b[7],k=b[8],l=b[9],m=b[10],n=b[11],o=b[12],p=b[13],q=b[14],r=b[15],s=c*h-d*g,t=c*i-e*g,u=c*j-f*g,v=d*i-e*h,w=d*j-f*h,x=e*j-f*i,y=k*p-l*o,z=k*q-m*o,A=k*r-n*o,B=l*q-m*p,C=l*r-n*p,D=m*r-n*q,E=s*D-t*C+u*B+v*A-w*z+x*y;return E?(E=1/E,a[0]=(h*D-i*C+j*B)*E,a[1]=(e*C-d*D-f*B)*E,a[2]=(p*x-q*w+r*v)*E,a[3]=(m*w-l*x-n*v)*E,a[4]=(i*A-g*D-j*z)*E,a[5]=(c*D-e*A+f*z)*E,a[6]=(q*u-o*x-r*t)*E,a[7]=(k*x-m*u+n*t)*E,a[8]=(g*C-h*A+j*y)*E,a[9]=(d*A-c*C-f*y)*E,a[10]=(o*w-p*u+r*s)*E,a[11]=(l*u-k*w-n*s)*E,a[12]=(h*z-g*B-i*y)*E,a[13]=(c*B-d*z+e*y)*E,a[14]=(p*t-o*v-q*s)*E,a[15]=(k*v-l*t+m*s)*E,a):null},i.adjoint=function(a,b){var c=b[0],d=b[1],e=b[2],f=b[3],g=b[4],h=b[5],i=b[6],j=b[7],k=b[8],l=b[9],m=b[10],n=b[11],o=b[12],p=b[13],q=b[14],r=b[15];return 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a=this._b;a.bindTexture(a.TEXTURE_2D,this._bI),a.texImage2D(a.TEXTURE_2D,0,a.RGBA,this._k,this._l,0,a.RGBA,a.UNSIGNED_BYTE,null),a.framebufferTexture2D(a.FRAMEBUFFER,a.COLOR_ATTACHMENT0,a.TEXTURE_2D,this._bI,0),a.texParameteri(a.TEXTURE_2D,a.TEXTURE_MIN_FILTER,a.LINEAR),a.texParameteri(a.TEXTURE_2D,a.TEXTURE_MAG_FILTER,a.LINEAR),a.texParameteri(a.TEXTURE_2D,a.TEXTURE_WRAP_S,a.CLAMP_TO_EDGE),a.texParameteri(a.TEXTURE_2D,a.TEXTURE_WRAP_T,a.CLAMP_TO_EDGE),a.bindTexture(a.TEXTURE_2D,null),this.release()},_dU:function(){var a=this._b;a.bindRenderbuffer(a.RENDERBUFFER,this._bG),a.renderbufferStorage(a.RENDERBUFFER,a.DEPTH_COMPONENT16,this._k,this._l),a.bindTexture(a.TEXTURE_2D,this._bI),a.texImage2D(a.TEXTURE_2D,0,a.RGBA,this._k,this._l,0,a.RGBA,a.UNSIGNED_BYTE,null),a.framebufferTexture2D(a.FRAMEBUFFER,a.COLOR_ATTACHMENT0,a.TEXTURE_2D,this._bI,0),a.framebufferRenderbuffer(a.FRAMEBUFFER,a.DEPTH_ATTACHMENT,a.RENDERBUFFER,this._bG),a.bindTexture(a.TEXTURE_2D,null),this._dA=this._k,this._dB=this._l},resize:function(a,b){this._k=a,this._l=b},release:function(){var a=this._b;a.bindFramebuffer(a.FRAMEBUFFER,null),a.bindRenderbuffer(a.RENDERBUFFER,null)}},a}(),g=function(){"use strict";function a(a){this._bF=[],this._eC=a}return a.prototype.request=function(a){for(var b=-1,c=null,d=0;d=a&&(null===c||c>f)&&(c=f,b=d)}if(-1!==b){var g=this._bF[b];return this._bF.splice(b,1),g}return new this._eC(a)},a.prototype.release=function(a){this._bF.push(a)},a}(),h=function(){"use strict";function b(a,b){if(a.length!==b.length)return!1;for(var c=0;c1e-6)return!1;return!0}function c(a){this._ci=f.create(),this._R=f.create(),this._dc=f.create(),this._o=f.create(),this._bN=f.create(),this._bi=.1,this._c6=[],this._8=4e3,this._dp=-5,this._dq=50,this._b5=!0,this._cz=45*Math.PI/180,this._dr=d.fromValues(1,1,1),this._c5=d.fromValues(.1,.1,.1),this._cm=1,this._c4=!0,this._bP=e.fromValues(.1,1,.1,.7),this._Q=d.create(),this._G=50,this._cV=!1,this._bd=!0,this._H=!0,this._2=1,this._b=a,this._b8=null,this._bv=0,this.setViewportSize(a.viewportWidth,a.viewportHeight)}var d=a.vec3,e=a.vec4,f=a.mat4;return c.prototype={_bo:function(){this._bv+=1,this._bv>68719476735&&(this._bv=0)},setOutlineEnabled:function(a){this._c4=a,this._bo()},setScreenDoorTransparency:function(a){this._cV=a,this._bo()},setOutlineWidth:function(a){this._cm!==a&&(this._cm=a,this._bo())},addOnCameraChanged:function(a){this._c6.push(a)},_bn:function(){var a=this;this._c6.forEach(function(b){b(a)})},setRotation:function(a){var c=!1;16===a.length?b(this._o,a)||(f.copy(this._o,a),c=!0):(f.fromMat3(this._o,a),c=!0),c&&(this._bn(),this._H=!0)},upsamplingFactor:function(){return this._2},setUpsamplingFactor:function(a){if(this._2!==a){this._bo(),this._2=a;var b=this._2/this._k,c=this._2/this._l;this._c0=new Float32Array([b,c])}},mainAxes:function(){return[d.fromValues(this._o[0],this._o[4],this._o[8]),d.fromValues(this._o[1],this._o[5],this._o[9]),d.fromValues(this._o[2],this._o[6],this._o[10])]},fieldOfViewY:function(){return this._cz},setFieldOfViewY:function(a){this._cz=a,this._bd=!0},aspectRatio:function(){return this._k/this._l},rotation:function(){return this._o},_dL:function(){var a=!1;return this._H&&(f.identity(this._R),f.translate(this._R,this._R,[-this._Q[0],-this._Q[1],-this._Q[2]]),f.mul(this._R,this._o,this._R),f.identity(this._bN),f.translate(this._bN,this._bN,[0,0,-this._G]),f.mul(this._R,this._bN,this._R),a=!0),this._bd&&(f.identity(this._ci),f.perspective(this._ci,this._cz,this._k/this._l,this._bi,this._8),a=!0),this._bd=!1,this._H=!1,a&&this._bo(),a},setViewportSize:function(a,b){this._bd=!0,this._k=a,this._l=b,this._c0=new Float32Array([this._2/a,this._2/b])},viewportWidth:function(){return this._k},viewportHeight:function(){return this._l},setCenter:function(a){b(this._Q,a)||(this._H=!0,d.copy(this._Q,a),this._bn())},fog:function(a){return void 0!==a&&a!==this._b5&&(this._b5=a,this._bo()),this._b5},rotateZ:function(){var a=f.create();return function(b){f.identity(a),this._H=!0,f.rotate(a,a,b,[0,0,1]),f.mul(this._o,a,this._o),this._bn()}}(),rotateX:function(){var a=f.create();return function(b){f.identity(a),this._H=!0,f.rotate(a,a,b,[1,0,0]),f.mul(this._o,a,this._o),this._bn()}}(),rotateY:function(){var a=f.create();return function(b){f.identity(a),this._H=!0,f.rotate(a,a,b,[0,1,0]),f.mul(this._o,a,this._o),this._bn()}}(),panX:function(a){return this.panXY(a,0)},panY:function(a){return this.panXY(0,a)},panXY:function(){var a=f.create(),b=d.create();return function(c,e){f.transpose(a,this._o),this._H=!0,d.set(b,-c,e,0),d.transformMat4(b,b,a),d.add(b,b,this._Q),this.setCenter(b)}}(),nearOffset:function(){return this._bi},farOffset:function(){return this._8},setNearFar:function(a,b){(a!==this._bi||b!==this._8)&&(this._bi=a,this._8=b,this._bd=!0)},setFogNearFar:function(a,b){this._dp=a,this._dq=b,this._bd=!0},setZoom:function(a){return Math.abs(this._G-a)>1e-8&&(this._H=!0,this._G=a),this._G},zoom:function(a){if(void 0===a)return this._G;this._H=!0;var b=1+.1*a;return this._G=Math.min(1e3,Math.max(2,b*this._G)),this._bn(),this._G},center:function(){return this._Q},setFogColor:function(a){this._dr=d.clone(a)},currentShader:function(){return this._b8},invalidateCurrentShader:function(){this._b8=null},setOutlineColor:function(a){this._c5=d.clone(a)},setSelectionColor:function(a){this._bP=d.clone(a),3===a.length?this._bP=e.fromValues(a[0],a[1],a[2],.7):this._bP=e.clone(a)},bind:function(a,b){var c=!1,d=this._b;if(this._b8!==a&&(this._b8=a,d.useProgram(a),c=!0),c=this._dL()||c,b?(f.mul(this._dc,this._R,b),d.uniformMatrix4fv(a.modelview,!1,this._dc)):d.uniformMatrix4fv(a.modelview,!1,this._R),this._bv!==a.stateId){a.stateId=this._bv,d.uniformMatrix4fv(a.projection,!1,this._ci),a.rotation&&d.uniformMatrix4fv(a.rotation,!1,this._o),d.uniform1i(a.fog,this._b5);var e=this._G;d.uniform1f(a.fogFar,this._dq+e),d.uniform1f(a.zoom,this._G),d.uniform1f(a.fogNear,this._dp+e),d.uniform3fv(a.fogColor,this._dr),d.uniform3fv(a.outlineColor,this._c5),d.uniform4fv(a.selectionColor,this._bP),d.uniform2fv(a.relativePixelSize,this._c0),d.uniform1f(a.outlineWidth,this._cm),d.uniform1i(a.screenDoorTransparency,this._cV),d.uniform1i(a.outlineEnabled,this._c4)}}},c}(),i={PRELUDE_FS:"\nprecision ${PRECISION} float;\nuniform bool screenDoorTransparency;\nvec4 handleAlpha(vec4 inColor) {\n if (screenDoorTransparency) {\n ivec2 pxCoord = ivec2(gl_FragCoord.xy);\n ivec2 mod = pxCoord - (pxCoord/2) * 2;\n if (inColor.a < 0.99 &&\n (inColor.a < 0.01 || mod.x != 0 || mod.y != 0)) { discard; }\n return vec4(inColor.rgb, 1.0);\n } else {\n if (inColor.a == 0.0) { discard; }\n return inColor;\n } \n} \n\nint intMod(int x, int y) { \n int z = x/y;\n return x-y*z;\n}\n\nuniform vec4 selectionColor;\n\nvec3 handleSelect(vec3 inColor, float vertSelect) { \n return mix(inColor, selectionColor.rgb, \n step(0.5, vertSelect) * selectionColor.a); \n} \n\nuniform bool fog;\nuniform float fogNear;\nuniform float fogFar;\nuniform vec3 fogColor;\nvec3 handleFog(vec3 inColor) {\n if (fog) {\n float depth = gl_FragCoord.z / gl_FragCoord.w;\n float fogFactor = smoothstep(fogNear, fogFar, depth);\n return mix(inColor, fogColor, fogFactor);\n } else {\n return inColor;\n }\n}",LINES_FS:"\nvarying vec4 vertColor;\nvarying vec3 vertNormal;\n\nvoid main(void) {\n gl_FragColor = handleAlpha(vertColor);\n gl_FragColor.rgb = handleFog(gl_FragColor.rgb);\n}",SELECT_LINES_FS:"\nprecision ${PRECISION} float;\n\nvarying float vertSelect;\nvarying vec3 vertNormal;\nuniform float fogNear;\nuniform float fogFar;\nuniform vec3 fogColor;\nuniform bool fog;\nuniform vec4 selectionColor;\n\nvoid main(void) {\n gl_FragColor = mix(vec4(0.0, 0.0, 0.0, 0.0), \n vec4(selectionColor.rgb, 1.0), vertSelect);\n gl_FragColor.a = step(0.5, vertSelect);\n if (gl_FragColor.a == 0.0) { discard; }\n float depth = gl_FragCoord.z / gl_FragCoord.w;\n if (fog) {\n float fog_factor = smoothstep(fogNear, fogFar, depth);\n gl_FragColor = mix(gl_FragColor, vec4(fogColor, gl_FragColor.w),\n fog_factor);\n }\n}",SELECT_LINES_VS:"\nattribute vec3 attrPos;\nattribute float attrSelect;\n\nuniform mat4 projectionMat;\nuniform mat4 modelviewMat;\nuniform float pointSize;\nvarying float vertSelect;\nvoid main(void) {\n gl_Position = projectionMat * modelviewMat * vec4(attrPos, 1.0);\n gl_Position.z += gl_Position.w * 0.000001; \n float distToCamera = vec4(modelviewMat * vec4(attrPos, 1.0)).z;\n gl_PointSize = pointSize * 200.0 / abs(distToCamera); \n vertSelect = attrSelect;\n}",SELECT_VS:"\nprecision ${PRECISION} float;\nuniform mat4 projectionMat;\nuniform mat4 modelviewMat;\nuniform float pointSize;\nattribute vec3 attrPos;\nattribute float attrObjId;\nattribute vec4 attrColor;\n\nvarying float objId;\nvarying float objAlpha;\n\nvoid main(void) {\n gl_Position = projectionMat * modelviewMat * vec4(attrPos, 1.0);\n float distToCamera = vec4(modelviewMat * vec4(attrPos, 1.0)).z;\n gl_PointSize = pointSize * 200.0 / abs(distToCamera); \n objId = attrObjId;\n objAlpha = attrColor.a;\n}",SELECT_FS:"\nprecision ${PRECISION} float;\n\nvarying float objId;\nvarying float objAlpha;\nuniform int symId;\n\nint intMod(int x, int y) { \n int z = x/y;\n return x-y*z;\n}\nvoid main(void) {\n if (objAlpha == 0.0) { discard; }\n // ints are only required to be 7bit...\n int integralObjId = int(objId+0.5);\n int red = intMod(integralObjId, 256);\n integralObjId/=256;\n int green = intMod(integralObjId, 256);\n integralObjId/=256;\n int blue = intMod(integralObjId, 256);\n int alpha = symId;\n gl_FragColor = vec4(float(red), float(green), \n float(blue), float(alpha))/255.0;\n}",LINES_VS:"\nattribute vec3 attrPos;\nattribute vec4 attrColor;\n\nuniform mat4 projectionMat;\nuniform mat4 modelviewMat;\nvarying vec4 vertColor;\nuniform float pointSize;\nvoid main(void) {\n gl_Position = projectionMat * modelviewMat * vec4(attrPos, 1.0);\n float distToCamera = vec4(modelviewMat * vec4(attrPos, 1.0)).z;\n gl_PointSize = pointSize * 200.0 / abs(distToCamera); \n vertColor = attrColor;\n}",HEMILIGHT_FS:"\nvarying vec4 vertColor;\nvarying vec3 vertNormal;\nvarying float vertSelect;\n\nvoid main(void) {\n float dp = dot(vertNormal, vec3(0.0, 0.0, 1.0));\n float hemi = min(1.0, max(0.0, dp)*0.6+0.5);\n gl_FragColor = vec4(vertColor.rgb*hemi, vertColor.a);\n gl_FragColor.rgb = handleFog(handleSelect(gl_FragColor.rgb, vertSelect));\n gl_FragColor = handleAlpha(gl_FragColor);\n}",PHONG_FS:"\nvarying vec4 vertColor;\nvarying vec3 vertNormal;\nvarying vec3 vertPos;\nuniform float zoom;\nvarying float vertSelect;\n\nvoid main(void) {\n vec3 eyePos = vec3(0.0, 0.0, zoom);\n float dp = dot(vertNormal, normalize(eyePos - vertPos));\n float hemi = min(1.0, max(0.3, dp)+0.2);\n //hemi *= vertColor.a;\n vec3 rgbColor = vertColor.rgb * hemi; \n //gl_FragDepthEXT = gl_FragCoord.z;\n rgbColor += min(vertColor.rgb, 0.8) * pow(max(0.0, dp), 18.0);\n rgbColor = handleSelect(rgbColor, vertSelect);\n gl_FragColor = vec4(clamp(rgbColor, 0.0, 1.0), vertColor.a);\n gl_FragColor.rgb = handleFog(gl_FragColor.rgb);\n gl_FragColor = handleAlpha(gl_FragColor);\n}",HEMILIGHT_VS:"\nattribute vec3 attrPos;\nattribute vec4 attrColor;\nattribute vec3 attrNormal;\nattribute float attrSelect;\n\nuniform mat4 projectionMat;\nuniform mat4 modelviewMat;\nvarying vec4 vertColor;\nvarying vec3 vertNormal;\nvarying vec3 vertPos;\nvarying float vertSelect;\nvoid main(void) {\n vertPos = (modelviewMat * vec4(attrPos, 1.0)).xyz;\n gl_Position = projectionMat * modelviewMat * vec4(attrPos, 1.0);\n vec4 n = (modelviewMat * vec4(attrNormal, 0.0));\n vertNormal = n.xyz;\n vertColor = attrColor;\n vertSelect = attrSelect;\n}",OUTLINE_FS:"\nvarying float vertAlpha;\nvarying float vertSelect;\n\nuniform vec3 outlineColor;\n\nvoid main() {\n gl_FragColor = vec4(mix(outlineColor, selectionColor.rgb, \n step(0.5, vertSelect)), \n vertAlpha);\n gl_FragColor.rgb = handleFog(gl_FragColor.rgb);\n gl_FragColor = handleAlpha(gl_FragColor);\n}",OUTLINE_VS:"\nprecision ${PRECISION} float;\n\nattribute vec3 attrPos;\nattribute vec3 attrNormal;\nattribute vec4 attrColor;\nattribute float attrSelect;\n\nuniform vec3 outlineColor;\nuniform mat4 projectionMat;\nuniform mat4 modelviewMat;\nvarying float vertAlpha;\nvarying float vertSelect;\nuniform vec2 relativePixelSize;\nuniform float outlineWidth;\n\nvoid main(void) {\n gl_Position = projectionMat * modelviewMat * vec4(attrPos, 1.0);\n vec4 normal = modelviewMat * vec4(attrNormal, 0.0);\n vertAlpha = attrColor.a;\n vertSelect = attrSelect;\n vec2 expansion = relativePixelSize * \n (outlineWidth + 2.0 * step(0.5, attrSelect));\n vec2 offset = normal.xy * expansion;\n gl_Position.xy += gl_Position.w * offset;\n}",TEXT_VS:"\nprecision ${PRECISION} float;\n\nattribute vec3 attrCenter;\nattribute vec2 attrCorner;\nuniform mat4 projectionMat;\nuniform mat4 modelviewMat;\nuniform mat4 rotationMat;\nvarying vec2 vertTex;\nuniform float width;\nuniform float height;\nvoid main() { \n vec4 pos = modelviewMat* vec4(attrCenter, 1.0);\n pos.z += 4.0;\n gl_Position = projectionMat * pos;\n gl_Position.xy += vec2(width,height)*attrCorner*gl_Position.w; \n vertTex = (attrCorner+abs(attrCorner))/(2.0*abs(attrCorner)); \n}",TEXT_FS:"\nprecision ${PRECISION} float;\n\nuniform mat4 projectionMat;\nuniform mat4 modelviewMat;\nuniform sampler2D sampler;\nuniform float xScale;\nuniform float yScale;\nvarying vec2 vertTex;\nvoid main() { \n vec2 texCoord = vec2(vertTex.x*xScale, vertTex.y*yScale);\n gl_FragColor = texture2D(sampler, texCoord);\n if (gl_FragColor.a == 0.0) { discard; }\n}",SPHERES_FS:"\n#extension GL_EXT_frag_depth : enable\n\nvarying vec2 vertTex;\nvarying vec4 vertCenter;\nvarying vec4 vertColor;\nvarying float vertSelect;\nvarying float radius;\nuniform mat4 projectionMat;\nuniform vec3 outlineColor;\nvarying float border;\nuniform bool outlineEnabled;\n\nvoid main(void) {\n float zz = dot(vertTex, vertTex);\n if (zz > 1.0)\n discard;\n vec3 normal = vec3(vertTex.x, vertTex.y, sqrt(1.0-zz));\n vec3 pos = vertCenter.xyz + normal * radius;\n float dp = normal.z;\n float hemi = sqrt(min(1.0, max(0.3, dp) + 0.2));\n vec4 projected = projectionMat * vec4(pos, 1.0);\n float depth = projected.z / projected.w;\n gl_FragDepthEXT = (depth + 1.0) * 0.5;\n vec3 rgbColor = vertColor.rgb * hemi; \n rgbColor += min(vertColor.rgb, 0.8) * pow(max(0.0, dp), 18.0);\n if (outlineEnabled) { \n rgbColor = mix(rgbColor * hemi, outlineColor, step(border, sqrt(zz)));\n } else { \n rgbColor *= hemi; \n } \n rgbColor = handleSelect(rgbColor, vertSelect);\n vec4 fogged = vec4(handleFog(rgbColor), vertColor.a);\n gl_FragColor = handleAlpha(fogged);\n}",SPHERES_VS:"\nprecision ${PRECISION} float;\nattribute vec3 attrPos;\nattribute vec4 attrColor;\nattribute vec3 attrNormal;\nattribute float attrSelect;\nuniform vec2 relativePixelSize;\nuniform float outlineWidth;\nvarying float radius;\n\nuniform mat4 projectionMat;\nuniform mat4 modelviewMat;\nuniform mat4 rotationMat;\nvarying vec4 vertColor;\nvarying vec2 vertTex;\nvarying float border;\nvarying vec4 vertCenter;\nvarying float vertSelect;\nvoid main() {\n vec3 d = vec3(attrNormal.xy * attrNormal.z, 0.0);\n vec4 rotated = vec4(d, 0.0)*rotationMat;\n gl_Position = projectionMat * modelviewMat * \n (vec4(attrPos, 1.0)+rotated);\n vertTex = attrNormal.xy;\n vertColor = attrColor;\n vertSelect = attrSelect;\n vertCenter = modelviewMat* vec4(attrPos, 1.0);\n float dist = length((projectionMat * vertCenter).xy - gl_Position.xy);\n float dd = dist / gl_Position.w;\n border = 1.0 - outlineWidth * 1.4 * length(relativePixelSize)/dd;\n radius = attrNormal.z;\n}",SELECT_SPHERES_FS:"\n#extension GL_EXT_frag_depth : enable\n\nvarying vec2 vertTex;\nvarying vec4 vertCenter;\nvarying vec4 vertColor;\nuniform mat4 projectionMat;\nvarying float objId;\nvarying float radius;\nuniform int symId;\n\nvoid main(void) {\n float zz = dot(vertTex, vertTex);\n if (zz > 1.0)\n discard;\n vec3 normal = vec3(vertTex.x, vertTex.y, sqrt(1.0-zz));\n vec3 pos = vertCenter.xyz + normal * radius;\n vec4 projected = projectionMat * vec4(pos, 1.0);\n float depth = projected.z / projected.w;\n gl_FragDepthEXT = (depth + 1.0) * 0.5;\n // ints are only required to be 7bit...\n int integralObjId = int(objId+0.5);\n int red = intMod(integralObjId, 256);\n integralObjId/=256;\n int green = intMod(integralObjId, 256);\n integralObjId/=256;\n int blue = intMod(integralObjId, 256);\n int alpha = symId;\n gl_FragColor = vec4(float(red), float(green), \n float(blue), float(alpha))/255.0;\n}",SELECT_SPHERES_VS:"\nprecision ${PRECISION} float;\nattribute vec3 attrPos;\nattribute vec4 attrColor;\nattribute vec3 attrNormal;\nattribute float attrObjId;\nvarying float radius;\n\nuniform mat4 projectionMat;\nuniform mat4 modelviewMat;\nuniform mat4 rotationMat;\nvarying vec2 vertTex;\nvarying vec4 vertCenter;\nvarying float objId;\nvoid main() {\n vec3 d = vec3(attrNormal.xy * attrNormal.z, 0.0);\n vec4 rotated = vec4(d, 0.0)*rotationMat;\n //vec4 rotated = vec4(d, 0.0);\n gl_Position = projectionMat * modelviewMat * \n (vec4(attrPos, 1.0)+rotated);\n vertTex = attrNormal.xy;\n vertCenter = modelviewMat* vec4(attrPos, 1.0);\n radius = attrNormal.z;\n objId = attrObjId;\n}"},j=function(){"use strict";function a(a,b,c){this._9=a,this._9.addEventListener("touchmove",d.bind(this,this._dN)),this._9.addEventListener("touchstart",d.bind(this,this._dM)),this._9.addEventListener("touchend",d.bind(this,this._cO)),this._9.addEventListener("touchcancel",d.bind(this,this._cO)),this._3={scale:1,rotation:0,center:null},this._bj=null,this._u=b,this._d=c}function b(a){for(var b=0,c=0,d=0;dc&&(this._u._b1._da({clientX:a.targetTouches[0].clientX,clientY:a.targetTouches[0].clientY}),b=null)}this._bj=b}else this._bj=null;this._3=this._dt(this._3,a)},_cO:function(a){if(a.preventDefault(),this._bj){var b=this._9.getBoundingClientRect(),c=this._3.pointers[0],d=this._u.pick({x:c.x-b.left,y:c.y-b.top});this._u._b7(a,"click",d)}}},a}(),k=function(){"use strict";function a(a,b,c,d){this._u=b,this._c=a,this._d=c,this._c=a,this._eF=d,this._cq=null,this._eq()}return a.prototype={_ez:function(a){null!==a&&this._u.setCenter(a.pos(),this._eF)},_d9:function(a){var b=this._c,c=(new Date).getTime();if((null===this._cq||c-this._cq>300)&c-this._eh<300){var d=this._c.domElement().getBoundingClientRect(),e=this._u.pick({x:a.clientX-d.left,y:a.clientY-d.top});this._u._b7(a,"click",e)}this._cq=c,b.removeEventListener("mousemove",this._bW),b.removeEventListener("mousemove",this._b0),b.removeEventListener("mouseup",this._bV),document.removeEventListener("mouseup",this._bV),document.removeEventListener("mousemove",this._bW),document.removeEventListener("mousemove",this._b0)},setCam:function(a){this._d=a},_eq:function(){return this._b0=d.bind(this,this._eb),this._bW=d.bind(this,this._ea),this._bV=d.bind(this,this._d9),this._c.onWheel(d.bind(this,this._d7),d.bind(this,this._d8)),this._c.on("dblclick",d.bind(this,this._da)),this._c.on("mousedown",d.bind(this,this._ec)),!0},_d8:function(a){this._d.zoom(a.wheelDelta<0?-1:1),a.preventDefault(),this._u.requestRedraw()},_d7:function(a){this._d.zoom(a.deltaY<0?1:-1),a.preventDefault(),this._u.requestRedraw()},_da:function(){return function(a){var 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this.structure().select(a)},structure:function(){return this._N[0]._g},getColorForAtom:function(a,b){return this._N[0].getColorForAtom(a,b)},addIdRange:function(a){this._6.push(a)},destroy:function(){S.prototype.destroy.call(this);for(var a=0;ad;++d)b=d*this._w,e[0]+=this._e[b+0],e[1]+=this._e[b+1],e[2]+=this._e[b+2];c.scale(e,e,1/a);var f=0;for(d=0;a>d;++d){b=d*this._w;var g=e[0]-this._e[b+0],h=e[1]-this._e[b+1],i=e[2]-this._e[b+2];f=Math.max(f,g*g+h*h+i*i)}return new l.Sphere(e,Math.sqrt(f))},destroy:function(){this._b.deleteBuffer(this._cL),this._C.release(this._e)},bindBuffers:function(){this._b.bindBuffer(this._b.ARRAY_BUFFER,this._cL),this._p||(this._b.bufferData(this._b.ARRAY_BUFFER,this._e,this._b.STATIC_DRAW),this._p=!0)},updateSquaredSphereRadius:function(){var a=c.create();return function(b,d,e){var f=this.boundingSphere();if(!f)return d;if(e)return c.transformMat4(a,f.center(),e),Math.max(c.sqrDist(a,b),d);var g=f.radius()*f.radius();return 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d=this._w*this._x;this._e[d++]=a[0],this._e[d++]=a[1],this._e[d++]=a[2],this._e[d++]=b[0],this._e[d++]=b[1],this._e[d++]=b[2],this._e[d++]=b[3],this._e[d++]=c,this._e[d++]=0,this._x+=1,this._p=!1,this._b9=null},addLine:function(a,b,c,d,e,f){this.addPoint(a,b,e),this.addPoint(c,d,f)},bindAttribs:function(a){this._b.vertexAttribPointer(a.posAttrib,3,this._b.FLOAT,!1,4*this._w,4*this._dG),-1!==a.colorAttrib&&(this._b.vertexAttribPointer(a.colorAttrib,4,this._b.FLOAT,!1,4*this._w,4*this._bL),this._b.enableVertexAttribArray(a.colorAttrib)),this._b.enableVertexAttribArray(a.posAttrib),-1!==a.objIdAttrib&&(this._b.vertexAttribPointer(a.objIdAttrib,1,this._b.FLOAT,!1,4*this._w,4*this._eL),this._b.enableVertexAttribArray(a.objIdAttrib)),-1!==a.selectAttrib&&(this._b.vertexAttribPointer(a.selectAttrib,1,this._b.FLOAT,!1,4*this._w,4*this._cK),this._b.enableVertexAttribArray(a.selectAttrib))},releaseAttribs:function(a){this._b.disableVertexAttribArray(a.posAttrib),-1!==a.colorAttrib&&this._b.disableVertexAttribArray(a.colorAttrib),-1!==a.objIdAttrib&&this._b.disableVertexAttribArray(a.objIdAttrib),-1!==a.selectAttrib&&this._b.disableVertexAttribArray(a.selectAttrib)},bind:function(a){this.bindBuffers(),this.bindAttribs(a)},draw:function(){this._b.drawArrays(this._cj,0,this._x)}}),a}(),q=U=function(){"use 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b=this._b,c=this._eN;b.enableVertexAttribArray(a.posAttrib),b.vertexAttribPointer(a.posAttrib,3,b.FLOAT,!1,c,this._eI),-1!==a.normalAttrib&&(b.enableVertexAttribArray(a.normalAttrib),b.vertexAttribPointer(a.normalAttrib,3,b.FLOAT,!1,c,this._eK)),-1!==a.colorAttrib&&(b.vertexAttribPointer(a.colorAttrib,4,b.FLOAT,!1,c,this._eM),b.enableVertexAttribArray(a.colorAttrib)),-1!==a.objIdAttrib&&(b.vertexAttribPointer(a.objIdAttrib,1,b.FLOAT,!1,c,this._eJ),b.enableVertexAttribArray(a.objIdAttrib)),-1!==a.selectAttrib&&(b.vertexAttribPointer(a.selectAttrib,1,b.FLOAT,!1,c,this._eH),b.enableVertexAttribArray(a.selectAttrib))},releaseAttribs:function(a){var b=this._b;b.disableVertexAttribArray(a.posAttrib),-1!==a.colorAttrib&&b.disableVertexAttribArray(a.colorAttrib),-1!==a.normalAttrib&&b.disableVertexAttribArray(a.normalAttrib),-1!==a.objIdAttrib&&b.disableVertexAttribArray(a.objIdAttrib),-1!==a.selectAttrib&&b.disableVertexAttribArray(a.selectAttrib)},bind:function(a){this.bindBuffers(),this.bindAttribs(a)},draw:function(){var a=this._b;a.drawElements(a.TRIANGLES,3*this._bD,a.UNSIGNED_SHORT,0)}}),a}(),r=function(a){"use strict";function b(b,c,d,e){a.call(this,c,d,e),this._L=b}function c(a,b,c,d,e,f){U.call(this,b,c,d,e,f),this._L=a}return d.derive(b,a,{chain:function(){return this._L},drawSymmetryRelated:function(a,b,c){this.bind(b);for(var d=0;d=a)return b;this._bU-=b.numVerts(),this._bz-=b.numIndices(),a=this._cH(this._bU);var e=null;return e=b instanceof c?new c(b.chain(),this._b,a,this._bz,this._C,this._I):new U(this._b,a,this._bz,this._C,this._I),this._z.push(e),e},vertArray:function(a){return this._z[a]},destroy:function(){V.prototype.destroy.call(this);for(var a=0;ap;++p)e.set(a,f*n[3*p],f*n[3*p+1],0),e.transformMat3(a,a,g),e.add(a,a,d),e.set(b,m[3*p],m[3*p+1],0),e.transformMat3(b,b,g),c.addVertex(a,b,h,k);if(!i)if(0!==j)for(p=0;l>p;++p)c.addTriangle(o+(p+j)%l,o+p+l,o+(p+1)%l+l),c.addTriangle(o+(p+j)%l,o+(p+1)%l+l,o+(p+1+j)%l);else for(p=0;pq;++q){e.set(a,g*n[3*q],g*n[3*q+1],f*n[3*q+2]),e.transformMat3(a,a,h),e.add(a,a,d),e.set(b,o[3*q],o[3*q+1],o[3*q+2]),e.transformMat3(b,b,h);var r=p>q?k:l;c.addVertex(a,b,p>q?i:j,r)}var s=this._i;for(q=0;q1?f.push(b.interpolateColor(h,this._bm)):f.push(h)}for(d=0;d1?d.push(l.interpolateScalars(f,this._bm)):d.push(f)}for(b=0;b1?f.push(b.interpolateColor(h,this._bm)):f.push(h)}for(d=0;dd;++d)a.addTriangle(b,b+1+d,b+2+d);a.addTriangle(b,b+c,b+1)}function f(a,b,c){for(var d=b+c,e=0;c-1>e;++e)a.addTriangle(d,b+e+1,b+e);a.addTriangle(d,b,b+c-1)}var g=a.vec3,h=a.vec4,i=a.mat3,j=v.TubeProfile,k=v.ProtoSphere,m=v.ProtoCylinder,n=w.TraceVertexAssoc,o=w.AtomVertexAssoc,p=b.interpolateColor,q={},r=.6,s=.8071,t=[-r,-r,0,r,-r,0,r,r,0,-r,r,0],u=[-6*r,-.9*s,0,-5.8*r,-1*s,0,5.8*r,-1*s,0,6*r,-.9*s,0,6*r,.9*s,0,5.8*r,1*s,0,-5.8*r,1*s,0,-6*r,.9*s,0],x=[-10*r,-.9*s,0,-9.8*r,-1*s,0,9.8*r,-1*s,0,10*r,-.9*s,0,10*r,.9*s,0,9.8*r,1*s,0,-9.8*r,1*s,0,-10*r,.9*s,0],y={H:1.1,C:1.7,N:1.55,O:1.52,F:1.47,CL:1.75,BR:1.85,I:1.98,HE:1.4,NE:1.54,AR:1.88,XE:2.16,KR:2.02,P:1.8,S:1.8,B:1.92,LI:1.82,NA:2.27,K:2.75,RB:3.03,CS:3.43,FR:3.48,BE:1.53,MG:1.73,SR:2.49,BA:2.68,RA:2.83,TI:2.11,FE:2.04,CU:1.96},z=function(){var a=g.create(),b=g.create(),c=g.create();return function(d,e,f,h){e=Math.max(e,1),f=Math.min(h-1,f);var i=3*(e-1);g.set(a,d[i],d[i+1],d[i+2]),g.set(c,d[3*e],d[3*e+1],d[3*e+2]);for(var j=e;f>j;++j)i=3*(j+1),g.set(b,d[i],d[i+1],d[i+2]),d[3*j+0]=.25*b[0]+.5*c[0]+.25*a[0],d[3*j+1]=.25*b[1]+.5*c[1]+.25*a[1],d[3*j+2]=.25*b[2]+.5*c[2]+.25*a[2],g.copy(a,c),g.copy(c,b)}}(),A=function(){var a=h.fromValues(0,0,0,1);return function(b,c,d,e){var f=e.atomCount(),g=d.idPool.getContinuousRange(f);b.addIdRange(g);var h=d.protoSphere.numVerts(),i=d.protoSphere.numIndices(),j=1.5*d.radiusMultiplier;b.addChainVertArray(e,h*f,i*f),e.eachAtom(function(e){var f=b.vertArrayWithSpaceFor(h);d.color.colorFor(e,a,0);var i=f.numVerts(),k=g.nextId({geom:b,atom:e});d.protoSphere.addTransformed(f,e.pos(),j,a,k);var l=f.numVerts();c.addAssoc(e,f,i,l)})}}();q.spheres=function(a,b,c){var d=new k(c.sphereDetail,c.sphereDetail);c.protoSphere=d;var e=new W(b,c.float32Allocator,c.uint16Allocator),f=new o(a,!0);return e.addVertAssoc(f),e.setShowRelated(c.showRelated),c.color.begin(a),a.eachChain(function(a){A(e,f,c,a)}),c.color.end(a),e};var B=function(){var a=h.fromValues(0,0,0,1);return function(b,c,d,e){var f=e.atomCount(),g=d.idPool.getContinuousRange(f);b.addIdRange(g);var h=4,i=6,j=1.5*d.radiusMultiplier;b.addChainVertArray(e,h*f,i*f),e.eachAtom(function(e){var f=b.vertArrayWithSpaceFor(h);d.color.colorFor(e,a,0);var i=g.nextId({geom:b,atom:e}),k=f.numVerts(),l=e.pos();f.addVertex(l,[-1,-1,j],a,i),f.addVertex(l,[1,1,j],a,i),f.addVertex(l,[1,-1,j],a,i),f.addVertex(l,[-1,1,j],a,i),f.addTriangle(k+0,k+1,k+2),f.addTriangle(k+0,k+3,k+1);var m=f.numVerts();c.addAssoc(e,f,k,m)})}}();q.billboardedSpheres=function(a,b,d){var e=new c(b,d.float32Allocator,d.uint16Allocator),f=new o(a,!0);return e.addVertAssoc(f),e.setShowRelated(d.showRelated),d.color.begin(a),a.eachChain(function(a){B(e,f,d,a)}),d.color.end(a),e};var C=function(){var a=g.create(),b=g.create(),c=h.fromValues(0,0,0,1),d=g.create(),e=g.create(),f=i.create();return function(h,i,j,k){var m=k.atomCount(),n=0;k.eachAtom(function(a){n+=a.bonds().length});var o=m*j.protoSphere.numVerts()+n*j.protoCyl.numVerts(),p=m*j.protoSphere.numIndices()+n*j.protoCyl.numIndices();h.addChainVertArray(k,o,p);var q=j.idPool.getContinuousRange(m);h.addIdRange(q),k.eachAtom(function(k){var m=j.scaleByAtomRadius?y[k.element()]||1:1,n=j.sphereRadius*m,o=j.protoSphere.numVerts()+k.bondCount()*j.protoCyl.numVerts(),p=h.vertArrayWithSpaceFor(o),r=p.numVerts(),s=q.nextId({geom:h,atom:k});j.color.colorFor(k,c,0),j.protoSphere.addTransformed(p,k.pos(),n,c,s),k.eachBond(function(h){h.mid_point(a),g.sub(b,k.pos(),a);var i=g.length(b);g.scale(b,b,1/i),l.buildRotation(f,b,d,e,!1),g.add(a,a,k.pos()),g.scale(a,a,.5),j.protoCyl.addTransformed(p,a,i,j.cylRadius,f,c,c,s,s)});var t=p.numVerts();i.addAssoc(k,p,r,t)})}}();q.ballsAndSticks=function(a,b,c){var d=new o(a,!0),e=new k(c.sphereDetail,c.sphereDetail),f=new m(c.arcDetail);c.protoSphere=e,c.protoCyl=f;var g=new W(b,c.float32Allocator,c.uint16Allocator);return g.addVertAssoc(d),g.setShowRelated(c.showRelated),c.color.begin(a),a.eachChain(function(a){C(g,d,c,a)}),c.color.end(a),g};var D=function(){var a=h.fromValues(0,0,0,1);return function(b,c,d,e){var f=d.atomCount(),g=e.idPool.getContinuousRange(f);b.addIdRange(g);var h=b.addChainVertArray(d,f);h.setDrawAsPoints(!0),d.eachAtom(function(d){var f=h.numVerts();e.color.colorFor(d,a,0);var i=g.nextId({geom:b,atom:d});h.addPoint(d.pos(),a,i);var j=h.numVerts();c.addAssoc(d,h,f,j)})}}();q.points=function(a,b,c){var e=new o(a,!0);c.color.begin(a);var f=new d(b,c.float32Allocator);return f.setPointSize(c.pointSize),f.addVertAssoc(e),f.setShowRelated(c.showRelated),a.eachChain(function(a){D(f,e,a,c)}),c.color.end(a),f};var E=function(){var a=g.create(),b=h.fromValues(0,0,0,1);return function(c,d,e,f){var g=0,h=e.atomCount(),i=f.idPool.getContinuousRange(h);c.addIdRange(i),e.eachAtom(function(a){var b=a.bonds().length;g+=b?b:3});var j=c.addChainVertArray(e,2*g);e.eachAtom(function(e){var g=j.numVerts(),h=i.nextId({geom:c,atom:e});if(e.bonds().length)e.eachBond(function(c){c.mid_point(a),f.color.colorFor(e,b,0),j.addLine(e.pos(),b,a,b,h,h)});else{var k=.2,l=e.pos();f.color.colorFor(e,b,0),j.addLine([l[0]-k,l[1],l[2]],b,[l[0]+k,l[1],l[2]],b,h,h),j.addLine([l[0],l[1]-k,l[2]],b,[l[0],l[1]+k,l[2]],b,h,h),j.addLine([l[0],l[1],l[2]-k],b,[l[0],l[1],l[2]+k],b,h,h)}var m=j.numVerts();d.addAssoc(e,j,g,m)})}}();q.lines=function(a,b,c){var e=new o(a,!0);c.color.begin(a);var f=new d(b,c.float32Allocator);return f.setLineWidth(c.lineWidth),f.addVertAssoc(e),f.setShowRelated(c.showRelated),a.eachChain(function(a){E(f,e,a,c)}),c.color.end(a),f};var F=function(a){for(var b=0,c=0;ck;++k){ +a[0]=v[3*(k-1)],a[1]=v[3*(k-1)+1],a[2]=v[3*(k-1)+2],b[0]=v[3*(k-0)],b[1]=v[3*(k-0)+1],b[2]=v[3*(k-0)+2],c[0]=w[4*(k-1)+0],c[1]=w[4*(k-1)+1],c[2]=w[4*(k-1)+2],c[3]=w[4*(k-1)+3],d[0]=w[4*(k-0)+0],d[1]=w[4*(k-0)+1],d[2]=w[4*(k-0)+2],d[3]=w[4*(k-0)+3];var A=Math.floor((k+y)/h.splineDetail);u=q[Math.min(q.length-1,A)],g.addLine(a,c,b,d,t,u),t=u;var B=g.numVerts();f.addAssoc(i,g,m+k,B-1,B+(k===j.length-1?0:1))}return f.setPerResidueColors(i,o),h.float32Allocator.release(n),h.float32Allocator.release(v),i+1}}(),K=function(a,b,c,d,e){for(var f=d.backboneTraces(),g=I(f,c.splineDetail),h=a.addChainVertArray(d,g),i=0;in;++n)g.set(a,d.getFloat32(h+0),d.getFloat32(h+4),d.getFloat32(h+8)),h+=12,g.set(b,d.getFloat32(h+0),d.getFloat32(h+4),d.getFloat32(h+8)),h+=12,o.addVertex(a,b,c,0);for(h=k+4,n=0;l>n;++n){var p=d.getUint32(h+0),q=d.getUint32(h+4),r=d.getUint32(h+8);h+=12,o.addTriangle(p-1,r-1,q-1)}return m}}();var S=function(){var a=i.create(),b=g.create();return function(c,d,e,f,h,i,j,k,m,n,o){var p=m.coilProfile;"C"===f||m.forceTube?k?l.ortho(e,h):g.cross(e,b,h):"H"===f?p=m.helixProfile:"E"===f?p=m.strandProfile:"A"===f&&(p=m.arrowProfile),l.buildRotation(a,h,e,b,!0),p.addTransformed(c,d,j,a,i,k,n,o)}}(),T=function(){var a=g.create(),b=g.create(),c=g.create();return function(d,e,f,h,i,j,k,l){var m=null,n=null,o=e.length();g.set(c,0,0,0);for(var p=0;o>p;++p){j.push(k.nextId({geom:d,atom:e.centralAtomAt(p),isTrace:!0})),e.smoothPosAt(a,p,l.strength),h[3*p]=a[0],h[3*p+1]=a[1],h[3*p+2]=a[2],e.smoothNormalAt(b,p,l.strength);var q=e.centralAtomAt(p);l.color.colorFor(q,f,4*p),g.dot(b,c)<0&&g.scale(b,b,-1),"E"===e.residueAt(p).ss()&&!l.forceTube&&l.smoothStrands&&(null===m&&(m=p),n=p),"C"===e.residueAt(p).ss()&&null!==m&&(z(h,m,n,o),z(i,m,n,o),m=null,n=null),i[3*p]=h[3*p]+b[0]+c[0],i[3*p+1]=h[3*p+1]+b[1]+c[1],i[3*p+2]=h[3*p+2]+b[2]+c[2],g.copy(c,b)}}}(),U=function(){var a=g.create(),b=g.create(),c=h.fromValues(0,0,0,1),d=g.create(),i=g.create();return function(j,k,m,n,o){var q=O([m],4*o.arcDetail,o.splineDetail),r=o.float32Allocator.request(3*m.length()),s=o.float32Allocator.request(4*m.length()),t=o.float32Allocator.request(3*m.length()),u=[],v=o.idPool.getContinuousRange(m.length());j.addIdRange(v),T(j,m,s,r,t,u,v,o);var w=j.vertArrayWithSpaceFor(q),x=l.catmullRomSpline(r,m.length(),o.splineDetail,o.strength,!1,o.float32Allocator),y=l.catmullRomSpline(t,m.length(),o.splineDetail,o.strength,!1,o.float32Allocator);k.setPerResidueColors(n,s);var z=o.radius*(m.residueAt(0).isAminoacid()?1:1.8),A=p(s,o.splineDetail);g.set(a,x[3]-x[0],x[4]-x[1],x[5]-x[2]),g.set(b,x[0],x[1],x[2]),g.set(d,y[0]-x[0],y[1]-x[1],y[2]-x[2]),g.normalize(a,a),g.normalize(d,d),h.set(c,A[0],A[1],A[2],A[3]);var B=w.numVerts();w.addVertex(b,[-a[0],-a[1],-a[2]],c,u[0]);var C=m.residueAt(0).ss();S(w,b,d,C,a,c,z,!0,o,0,u[0]),e(w,B,4*o.arcDetail);var D=w.numVerts(),E=0;k.addAssoc(n,w,E,B,D),E+=1;for(var F=Math.floor(o.splineDetail/2),G=l.catmullRomSplineNumPoints(m.length(),o.splineDetail,!1),H=4*o.arcDetail,I=1,J=G;J>I;++I){var K=3*I,L=4*I,M=3*(I+1),N=3*(I-1);g.set(b,x[K],x[K+1],x[K+2]),I===J-1?g.set(a,x[K]-x[N],x[K+1]-x[N+1],x[K+2]-x[N+2]):g.set(a,x[M]-x[N],x[M+1]-x[N+1],x[M+2]-x[N+2]),g.normalize(a,a),h.set(c,A[L],A[L+1],A[L+2],A[L+3]);var P=0,Q=I+o.splineDetail/2,R=Math.floor(Q/o.splineDetail),U=Math.floor((Q-1)/o.splineDetail),V=Math.floor((Q+o.arrowSkip)/o.splineDetail),W=!1,X=m.residueAt(R).ss();if(!o.forceTube){if(R!==U){var Y=m.residueAt(U).ss();if("C"===Y&&("H"===X||"E"===X)){g.set(i,y[N]-x[N],y[N+1]-x[N+1],y[N+2]-x[N+2]),g.normalize(i,i);var 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w=q.nextId({geom:h,atom:n.centralAtomAt(0),isTrace:!0}),x=0;p.protoSphere.addTransformed(t,f,p.radius,k,w);var y=null;i.addAssoc(o,t,0,v,y);var z=p.float32Allocator.request(4*n.length());z[0]=k[0],z[1]=k[1],z[2]=k[2],z[3]=k[3];for(var A=p.protoCyl.numVerts()+p.protoSphere.numVerts(),B=1;Bu-t.numVerts()&&(t=h.vertArrayWithSpaceFor(s)),s-=A;var D=t.numVerts();p.protoCyl.addTransformed(t,e,C,p.radius,a,k,m,w,x),y=t.numVerts(),y-=(y-D)/2,p.protoSphere.addTransformed(t,j,p.radius,m,x),w=x,i.addAssoc(o,t,B,v,y),v=y,g.copy(k,m)}i.setPerResidueColors(o,z),i.addAssoc(o,t,n.length()-1,v,t.numVerts())}}}();return q}(t,u),y=function(){function a(a,b,c,d,e,f){S.call(this,a);var g=f||{};this._={},this._.fillStyle=g.fillStyle||"#000",this._.backgroundAlpha=g.backgroundAlpha||0,this._.fontSize=g.fontSize||24,this._.font=g.font||"Verdana",this._.fontStyle=g.fontStyle||"normal",this._.fontColor=g.fontColor||"#000",this._cn=100,this._bB=d,this._ej=this._b.createBuffer(),this._h=new 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e=b.text;a.bind(e),this.bind();var f=this._b,g=a.upsamplingFactor();f.uniform1f(f.getUniformLocation(e,"xScale"),this._dI),f.uniform1f(f.getUniformLocation(e,"yScale"),this._dH),f.uniform1f(f.getUniformLocation(e,"width"),2*g*this._k/a.viewportWidth()),f.uniform1f(f.getUniformLocation(e,"height"),2*g*this._l/a.viewportHeight()),f.uniform1i(f.getUniformLocation(e,"sampler"),0);var h=f.getAttribLocation(e,"attrCenter");f.enableVertexAttribArray(h),f.vertexAttribPointer(h,3,f.FLOAT,!1,20,0);var i=f.getAttribLocation(e,"attrCorner");f.vertexAttribPointer(i,2,f.FLOAT,!1,20,12),f.enableVertexAttribArray(i),f.enable(f.BLEND),f.blendFunc(f.SRC_ALPHA,f.ONE_MINUS_SRC_ALPHA),f.drawArrays(f.TRIANGLES,0,6),f.disableVertexAttribArray(h),f.disableVertexAttribArray(i),f.disable(f.BLEND)}}}),a}(),z=function(c){"use strict";function e(){this._e=[],this._E=[],this._x=0}function f(a,b,d,f,g){S.call(this,b),this._C=d,this._I=f,this._D=new e,this._d0=new c.ProtoSphere(8,8),this._d1=new 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a(this._bi,this._8)},c.prototype.update=function(b,c){for(var d=c.center(),e=null,f=0;fe;++e)b[e].update(A.dot(d,a[e]))});for(var d=0;3>d;++d)b[d].extend(1.5)},fitTo:function(a,b){var c=this._d.mainAxes(),e=[new d.Range,new d.Range,new d.Range];if(a instanceof S)a.updateProjectionIntervals(c[0],c[1],c[2],e[0],e[1],e[2]);else if(void 0!==a.eachAtom)this._cM(c,e,a);else if(void 0!==a.length)for(var f=0;fe?e:null,g,f,i,j)}}(),add:function(a,b){return b.name(a),this._m.push(b),this._m.sort(function(a,b){return a.order()-b.order()}),this.requestRedraw(),b},_dl:function(a){var b=a.replace(".","\\.").replace("*",".*");return new RegExp("^"+b+"$")},forEach:function(){var a,b="*";2===arguments.length?(a=arguments[1],b=arguments[0]):a=arguments[0];for(var c=this._dl(b),d=0;dc;++c)a(b[c])},isConnectedTo:function(a){if(null===a)return!1;for(var b=a.full(),c=this.full(),d=this.bonds(),e=0,f=d.length;f>e;++e){var g=d[e];if(g.atom_one()===c&&g.atom_two()===b||g.atom_one()===b&&g.atom_two()===c)return!0}return!1}},d.derive(c,b,{addBond:function(a){this._cI.push(a)},name:function(){return this._K},bonds:function(){return this._cI},residue:function(){return this._t},structure:function(){return this._t.structure()},full:function(){return this},qualifiedName:function(){return this.residue().qualifiedName()+"."+this.name()},pos:function(){return this._bB},setPos:function(a){f.copy(this._bB,a)},element:function(){return this._9},index:function(){return this._cu},occupancy:function(){return this._d4},tempFactor:function(){return this._dP},serial:function(){return this._dT},isHetatm:function(){return this._ei},prop:function(a){var b=this[a];if(void 0!==b)return b.call(this);var c=this._bA[a];return void 0===c?0:c},setProp:function(a,b){this._bA[a]=b}}),d.derive(e,b,{full:function(){return this._A},name:function(){return this._A.name()},pos:function(){return this._A.pos()},element:function(){return this._A.element()},residue:function(){return this._dV},bonds:function(){return this._A.bonds()},index:function(){return this._A.index()},occupancy:function(){return this._A.occupancy()},tempFactor:function(){return this._A.tempFactor()},serial:function(){return this._A.serial()},qualifiedName:function(){return this._A.qualifiedName()},isHetatm:function(){return this._A.isHetatm()},prop:function(a){return this._A.prop(a)},setProp:function(a,b){this._A.setProp(a,b)}}),{Atom:c,AtomView:e}}(),F=function(b){"use strict";function c(){}function e(a,b,d,e){c.call(this),this._K=b,this._d5=d,this._ek=e,this._r=[],this._cR="C",this._L=a,this._dg=!1,this._df=!1,this._cu=a.residues().length,this._bA={}}function f(a,b){c.call(this),this._ey=a,this._r=[],this._t=b}var g=a.vec3,h=b.Atom,i=b.AtomView;return c.prototype={isWater:function(){return"HOH"===this.name()||"DOD"===this.name()},eachAtom:function(a,b){b|=0;for(var c=0;c=this._r.length||0>a?null:this._r[a]},centralAtom:function(){return this.isAminoacid()?this.atom("CA"):this.isNucleotide()?this.atom("C3'"):null},center:function(){var a=0,b=g.create();return this.eachAtom(function(c){g.add(b,b,c.pos()),a+=1}),a>0&&g.scale(b,b,1/a),b},isAminoacid:function(){return this._dg},isNucleotide:function(){return this._df}},d.derive(e,c,{_ev:function(){this._df=null!==this.atom("P")&&null!==this.atom("C3'"),this._dg=null!==this.atom("N")&&null!==this.atom("CA")&&null!==this.atom("C")&&null!==this.atom("O")},name:function(){return this._K},insCode:function(){return this._ek},num:function(){return this._d5},full:function(){return this},addAtom:function(a,b,c,d,e,f,g){var i=new h(this,a,b,c,this.structure().nextAtomIndex(),d,e,f,0|g);return this._r.push(i),i},ss:function(){return this._cR},setSS:function(a){this._cR=a},index:function(){return this._cu},atoms:function(){return this._r},chain:function(){return this._L},structure:function(){return this._L.structure()},prop:function(a){var b=this[a];if(void 0!==b)return 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h.prototype={eachAtom:function(a,b){b|=0;for(var c=0;c=c;++c)h.push(this._q[c])}else for(c=0,e=i.length;c!==e;++c){var l=i[c];l.num()>=a&&l.num()<=b&&h.push(l)}return h},prop:function(a){return this[a]()}},d.derive(i,h,{name:function(){return this._K},full:function(){return this},addResidue:function(a,b,c){c=c||"\x00";var d=new o(this,a,b,c);return this._4=l(this._q,this._4,d),this._q.push(d),d},assignSS:function(a,b,c){for(var d=e(a[0],a[1]),f=e(b[0],b[1]),g=1;gi||i>=f||h.setSS(c)}},eachBackboneTrace:function(a){this._eB();for(var b=0;b0)){for(var a=new c.BackboneTrace,b=null,d=0;d=d;++d)f.push(c[d]);return f}if(b.rindices&&void 0!==b.rindices.length){for(f=[],d=0;df&&a.connect(e,d)}}function h(a,b,c){var d=b.atom("O3'"),e=c.atom("P");if(d&&e){var f=m.sqrDist(d.pos(),e.pos());1.7*1.7>f&&a.connect(d,e)}}function i(){}function j(){i.call(this),this._j=[],this._S=[],this._c9=0}function k(a){i.call(this),this._db=a,this._j=[]}var m=a.vec3,n=b.Chain,o=b.ChainView,p=c.Bond,q={H:.31,HE:.28,LI:1.28,BE:.96,B:.84,C:.76,N:.71,O:.66,F:.57,NE:.58,NA:1.66,MG:1.41,AL:1.21,SI:1.11,P:1.07,S:1.05,CL:1.02,AR:1.06,K:2.03,CA:1.76,SC:1.7,TI:1.6,V:1.53,CR:1.39,MN:1.39,FE:1.32,CO:1.26,NI:1.24,CU:1.32,ZN:1.22,GA:1.22,GE:1.2,AS:1.19,SE:1.2,BR:1.2,KR:1.16,RB:2.2,SR:1.95,Y:1.9,ZR:1.75,NB:1.64,MO:1.54,TC:1.47,RU:1.46,RH:1.42,PD:1.39,AG:1.45,CD:1.44,IN:1.42,SN:1.39,SB:1.39,TE:1.38,I:1.39,XE:1.4,CS:2.44,BA:2.15,LA:2.07,CE:2.04,PR:2.03,ND:2.01,PM:1.99,SM:1.98,EU:1.98,GD:1.96,TB:1.94,DY:1.92,HO:1.92,ER:1.89,TM:1.9,YB:1.87,LU:1.87,HF:1.75,TA:1.7,W:1.62,RE:1.51,OS:1.44,IR:1.41,PT:1.36,AU:1.36,HG:1.32,TL:1.45,PB:1.46,BI:1.48,PO:1.4,AT:1.5,RN:1.5,FR:2.6,RA:2.21,AC:2.15,TH:2.06,PA:2,U:1.96,NP:1.9,PU:1.87,AM:1.8,CM:1.69};return i.prototype={eachResidue:function(a){for(var b=0;be)){if(j||(j=h.addChain(l[o].full(),!1)),i||(i=j.addResidue(p[q].full(),f)),f){n=!0;break}i.addAtom(r[s].full());break}}}return h}}(),createEmptyView:function(){return new 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A=!1;for(k=j;-1!=k;k+=-1){if(Math.abs(o[k])<=d){A=!0;break}if(Math.abs(p[k-1])<=d)break}if(!A){g=0,y=1;var B=k-1;for(h=k;j+1>h&&(s=y*o[h],o[h]=g*o[h],!(Math.abs(s)<=d));h++)for(t=p[h],u=b(s,t),p[h]=u,g=t/u,y=-s/u,i=0;m>i;i++)w=l[i][B],x=l[i][h],l[i][B]=w*g+x*y,l[i][h]=-w*y+x*g}if(x=p[j],k==j){if(0>x)for(p[j]=-x,i=0;n>i;i++)q[i][j]=-q[i][j];break}if(z>=f-1)throw"Error: no convergence.";for(v=p[k],w=p[j-1],t=o[j-1],u=o[j],s=((w-x)*(w+x)+(t-u)*(t+u))/(2*u*w),t=b(s,1),s=0>s?((v-x)*(v+x)+u*(w/(s-t)-u))/v:((v-x)*(v+x)+u*(w/(s+t)-u))/v,g=1,y=1,h=k+1;j+1>h;h++){for(t=o[h],w=p[h],u=y*t,t=g*t,x=b(s,u),o[h-1]=x,g=s/x,y=u/x,s=v*g+t*y,t=-v*y+t*g,u=w*y,w*=g,i=0;n>i;i++)v=q[i][h-1],x=q[i][h],q[i][h-1]=v*g+x*y,q[i][h]=-v*y+x*g;for(x=b(s,u),p[h-1]=x,g=s/x,y=u/x,s=g*t+y*w,v=-y*t+g*w,i=0;m>i;i++)w=l[i][h-1],x=l[i][h],l[i][h-1]=w*g+x*y,l[i][h]=-w*y+x*g}o[k]=0,o[j]=s,p[j]=v}for(h=0;hh;h++)for(i=h-1;i>=0;i--)if(p[i]k;++k){var l=a.chains()[k],m=d.chains()[k],n=f(l,m),o=n[0],p=n[1];if(o.length!==p.length)return null;for(var q=g.addChain(l),r=h.addChain(m),s=0;ss*t&&(f[8]=-1,h.mul(k,k,f)),h.mul(d,h.transpose(l,l),k);for(var u=m.full().atoms(),v=0;v=h;++h)for(var i=2;5>i;++i)if(!(h+i>=c.length())){var j=e.dist(c.posAt(a,h),c.posAt(b,h+i));if(Math.abs(j-f[i-2])>g)return!1}return!0}}(),g=function(a,b){var c=[5.45,5.18,6.37],d=2.1;return f(a,b,c,d)},h=function(a,b){var c=[6.1,10.4,13],d=1.42;return f(a,b,c,d)};return{Mol:X.Mol,MolView:X.MolView,assignHelixSheet:d,superpose:b.superpose,matchResiduesByIndex:b.matchResiduesByIndex,matchResiduesByNum:b.matchResiduesByNum}}(M),O=function(b){"use strict";function c(){this._S={},this._0=null}function d(a){if(" "!==a[0]){var b=a.trim();if(4===b.length){for(var c=0,d=b.charCodeAt(c);4>c&&(65>d||d>122||d>90&&97>d);)++c,d=b.charCodeAt(c);return b[c]}var e=b.charCodeAt(0);return e>=48&&57>=e?b[1]:b.substr(0,2)}return a[1]}function 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c=a.substr(7,3);return"350"===c&&this._cW.nextLine(a),this.CONTINUE}return"HELIX "===b?this.parseHelixRecord(a)?this.CONTINUE:this.ERROR:"SHEET "===b?this.parseSheetRecord(a)?this.CONTINUE:this.ERROR:this._.conectRecords&&"CONECT"===b?this.parseConectRecord(a)?this.CONTINUE:this.ERROR:"END "===b?this.FILE_END:"ENDMDL"===b?this.MODEL_COMPLETE:"complete:"===a.substr(0,9)?(this._bS=!0,this.CONTINUE):this._bS?0===a.trim().length?(this._bS=!1,this.CONTINUE):this.parseRosettaAnnotation(a):this.CONTINUE},finish:function(){if(null===this._bb)return null;var a,b=null;for(a=0;ab){if(0===b){var c=a.trim();if(0===c.length)return!1;this._cP=c}return this._bR=!1,this._be++,!0}if(3===b){if(this._cB=parseInt(a.substr(0,3).trim(),10),this._dv=parseInt(a.substr(3,3).trim(),10),isNaN(this._cB)||isNaN(this._dv))return!1;this._be++;var d=""+(this._g.chains().length+1);this._P=this._g.addChain(d),this._O=this._P.addResidue(this._cP,1)}if(4===b){for(var 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--git a/tracking/viewers/pv/bower.json b/tracking/viewers/pv/bower.json new file mode 100644 index 000000000..8afb1c361 --- /dev/null +++ b/tracking/viewers/pv/bower.json @@ -0,0 +1,41 @@ + { + "name": "bio-pv", + "homepage": "https://github.com/biasmv/pv", + "authors": [ + "Marco Biasini " + ], + "description": "WebGL protein viewer", + "main": "bio-pv.min.js", + "moduleType": [ + "amd" + ], + "keywords": [ + "protein", + "3d", + "webgl", + "biojs" + ], + "license": "MIT", + "ignore": [ + "**/.*", + "node_modules", + "pdbs", + "js", + "build", + "doc", + "scripts", + "snippets", + "css", + "favicon.ico", + "demo.js", + "index.html", + "tests", + "tests", + "select.*", + "src", + "serve", + "make-release.sh", + "all-tests.html", + "Gruntfile.js" + ] + } diff --git a/tracking/viewers/pv/css/foundation.css b/tracking/viewers/pv/css/foundation.css new file mode 100644 index 000000000..190bdd19e --- /dev/null +++ b/tracking/viewers/pv/css/foundation.css @@ -0,0 +1,6191 @@ 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normal; + font-style: normal; + line-height: 1.5; + position: relative; + cursor: auto; } + +a:hover { + cursor: pointer; } + +img { + max-width: 100%; + height: auto; } + +img { + -ms-interpolation-mode: bicubic; } + +#map_canvas img, +#map_canvas embed, +#map_canvas object, +.map_canvas img, +.map_canvas embed, +.map_canvas object { + max-width: none !important; } + +.left { + float: left !important; } + +.right { + float: right !important; } + +.clearfix:before, .clearfix:after { + content: " "; + display: table; } +.clearfix:after { + clear: both; } + +.hide { + display: none !important; + visibility: hidden; } + +.invisible { + visibility: hidden; } + +.antialiased { + -webkit-font-smoothing: antialiased; + -moz-osx-font-smoothing: grayscale; } + +img { + display: inline-block; + vertical-align: middle; } + +textarea { + height: auto; + min-height: 50px; } + +select { + width: 100%; } + +.row { + width: 100%; + margin-left: auto; + margin-right: auto; + margin-top: 0; + margin-bottom: 0; + max-width: 62.5rem; } + .row:before, .row:after { + content: " "; + display: table; } + .row:after { + clear: both; } + .row.collapse > .column, + .row.collapse > .columns { + padding-left: 0; + padding-right: 0; } + .row.collapse .row { + margin-left: 0; + margin-right: 0; } + .row .row { + width: auto; + margin-left: -0.9375rem; + margin-right: -0.9375rem; + margin-top: 0; + margin-bottom: 0; + max-width: none; } + .row .row:before, .row .row:after { + content: " "; + display: table; } + .row .row:after { + clear: both; } + .row .row.collapse { + width: auto; + margin: 0; + max-width: none; } + .row .row.collapse:before, .row .row.collapse:after { + content: " "; + display: table; } + .row .row.collapse:after { + clear: both; } + +.column, +.columns { + padding-left: 0.9375rem; + padding-right: 0.9375rem; + width: 100%; + float: left; } + +[class*="column"] + [class*="column"]:last-child { + float: right; } + +[class*="column"] + [class*="column"].end { + float: left; } + +@media only screen { + .small-push-0 { + position: relative; + left: 0%; + right: auto; } + + .small-pull-0 { + position: relative; + right: 0%; + left: auto; } + + .small-push-1 { + position: relative; + left: 8.33333%; + right: auto; } + + .small-pull-1 { + position: relative; + right: 8.33333%; + left: auto; } + + .small-push-2 { + position: relative; + left: 16.66667%; + right: auto; } + + .small-pull-2 { + position: relative; + right: 16.66667%; + left: auto; } + + .small-push-3 { + position: relative; + left: 25%; + right: auto; } + + .small-pull-3 { + position: relative; + right: 25%; + left: auto; } + + .small-push-4 { + position: relative; + left: 33.33333%; + right: auto; } + + .small-pull-4 { + position: relative; + right: 33.33333%; + left: auto; } + + .small-push-5 { + position: relative; + left: 41.66667%; + right: auto; } + + .small-pull-5 { + position: relative; + right: 41.66667%; + left: auto; } + + .small-push-6 { + position: relative; + left: 50%; + 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width: 8.33333%; } + + .small-2 { + width: 16.66667%; } + + .small-3 { + width: 25%; } + + .small-4 { + width: 33.33333%; } + + .small-5 { + width: 41.66667%; } + + .small-6 { + width: 50%; } + + .small-7 { + width: 58.33333%; } + + .small-8 { + width: 66.66667%; } + + .small-9 { + width: 75%; } + + .small-10 { + width: 83.33333%; } + + .small-11 { + width: 91.66667%; } + + .small-12 { + width: 100%; } + + .small-offset-0 { + margin-left: 0% !important; } + + .small-offset-1 { + margin-left: 8.33333% !important; } + + .small-offset-2 { + margin-left: 16.66667% !important; } + + .small-offset-3 { + margin-left: 25% !important; } + + .small-offset-4 { + margin-left: 33.33333% !important; } + + .small-offset-5 { + margin-left: 41.66667% !important; } + + .small-offset-6 { + margin-left: 50% !important; } + + .small-offset-7 { + margin-left: 58.33333% !important; } + + .small-offset-8 { + margin-left: 66.66667% !important; } + + .small-offset-9 { + margin-left: 75% !important; } + + 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+ right: auto; } + + .medium-pull-1 { + position: relative; + right: 8.33333%; + left: auto; } + + .medium-push-2 { + position: relative; + left: 16.66667%; + right: auto; } + + .medium-pull-2 { + position: relative; + right: 16.66667%; + left: auto; } + + .medium-push-3 { + position: relative; + left: 25%; + right: auto; } + + .medium-pull-3 { + position: relative; + right: 25%; + left: auto; } + + .medium-push-4 { + position: relative; + left: 33.33333%; + right: auto; } + + .medium-pull-4 { + position: relative; + right: 33.33333%; + left: auto; } + + .medium-push-5 { + position: relative; + left: 41.66667%; + right: auto; } + + .medium-pull-5 { + position: relative; + right: 41.66667%; + left: auto; } + + .medium-push-6 { + position: relative; + left: 50%; + right: auto; } + + .medium-pull-6 { + position: relative; + right: 50%; + left: auto; } + + .medium-push-7 { + position: relative; + left: 58.33333%; + right: auto; } + + .medium-pull-7 { + position: relative; + right: 58.33333%; + left: auto; } + + .medium-push-8 { + position: relative; + left: 66.66667%; + right: auto; } + + .medium-pull-8 { + position: relative; + right: 66.66667%; + left: auto; } + + .medium-push-9 { + position: relative; + left: 75%; + right: auto; } + + .medium-pull-9 { + position: relative; + right: 75%; + left: auto; } + + .medium-push-10 { + position: relative; + left: 83.33333%; + right: auto; } + + .medium-pull-10 { + position: relative; + right: 83.33333%; + left: auto; } + + .medium-push-11 { + position: relative; + left: 91.66667%; + right: auto; } + + .medium-pull-11 { + position: relative; + right: 91.66667%; + left: auto; } + + .column, + .columns { + position: relative; + padding-left: 0.9375rem; + padding-right: 0.9375rem; + float: left; } + + .medium-1 { + width: 8.33333%; } + + .medium-2 { + width: 16.66667%; } + + .medium-3 { + width: 25%; } + + .medium-4 { + width: 33.33333%; } + + .medium-5 { + width: 41.66667%; } + + .medium-6 { + width: 50%; } + + .medium-7 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auto; + right: auto; + float: left; } + + .column.medium-centered, + .columns.medium-centered { + margin-left: auto; + margin-right: auto; + float: none; } + + .column.medium-uncentered, + .columns.medium-uncentered { + margin-left: 0; + margin-right: 0; + float: left; } + + .column.medium-centered:last-child, + .columns.medium-centered:last-child { + float: none; } + + .column.medium-uncentered:last-child, + .columns.medium-uncentered:last-child { + float: left; } + + .column.medium-uncentered.opposite, + .columns.medium-uncentered.opposite { + float: right; } + + .push-0 { + position: relative; + left: 0%; + right: auto; } + + .pull-0 { + position: relative; + right: 0%; + left: auto; } + + .push-1 { + position: relative; + left: 8.33333%; + right: auto; } + + .pull-1 { + position: relative; + right: 8.33333%; + left: auto; } + + .push-2 { + position: relative; + left: 16.66667%; + right: auto; } + + .pull-2 { + position: relative; + right: 16.66667%; + left: auto; } + + .push-3 { + position: relative; + left: 25%; + right: auto; } + + .pull-3 { + position: relative; + right: 25%; + left: auto; } + + .push-4 { + position: relative; + left: 33.33333%; + right: auto; } + + .pull-4 { + position: relative; + right: 33.33333%; + left: auto; } + + .push-5 { + position: relative; + left: 41.66667%; + right: auto; } + + .pull-5 { + position: relative; + right: 41.66667%; + left: auto; } + + .push-6 { + position: relative; + left: 50%; + right: auto; } + + .pull-6 { + position: relative; + right: 50%; + left: auto; } + + .push-7 { + position: relative; + left: 58.33333%; + right: auto; } + + .pull-7 { + position: relative; + right: 58.33333%; + left: auto; } + + .push-8 { + position: relative; + left: 66.66667%; + right: auto; } + + .pull-8 { + position: relative; + right: 66.66667%; + left: auto; } + + .push-9 { + position: relative; + left: 75%; + right: auto; } + + .pull-9 { + position: relative; + right: 75%; + left: auto; } + + .push-10 { + position: relative; + left: 83.33333%; + right: auto; } + + .pull-10 { + position: relative; + right: 83.33333%; + left: auto; } + + .push-11 { + position: relative; + left: 91.66667%; + right: auto; } + + .pull-11 { + position: relative; + right: 91.66667%; + left: auto; } } +@media only screen and (min-width: 64.063em) { + .large-push-0 { + position: relative; + left: 0%; + right: auto; } + + .large-pull-0 { + position: relative; + right: 0%; + left: auto; } + + .large-push-1 { + position: relative; + left: 8.33333%; + right: auto; } + + .large-pull-1 { + position: relative; + right: 8.33333%; + left: auto; } + + .large-push-2 { + position: relative; + left: 16.66667%; + right: auto; } + + .large-pull-2 { + position: relative; + right: 16.66667%; + left: auto; } + + .large-push-3 { + position: relative; + left: 25%; + right: auto; } + + .large-pull-3 { + position: relative; + right: 25%; + left: auto; } + + .large-push-4 { + position: relative; + left: 33.33333%; + right: auto; } + + .large-pull-4 { + position: relative; + right: 33.33333%; + left: auto; } + + .large-push-5 { + position: relative; + left: 41.66667%; + right: auto; } + + .large-pull-5 { + position: relative; + right: 41.66667%; + left: auto; } + + .large-push-6 { + position: relative; + left: 50%; + right: auto; } + + .large-pull-6 { + position: relative; + right: 50%; + left: auto; } + + .large-push-7 { + position: relative; + left: 58.33333%; + right: auto; } + + .large-pull-7 { + position: relative; + right: 58.33333%; + left: auto; } + + .large-push-8 { + position: relative; + left: 66.66667%; + right: auto; } + + .large-pull-8 { + position: relative; + right: 66.66667%; + left: auto; } + + .large-push-9 { + position: relative; + left: 75%; + right: auto; } + + .large-pull-9 { + position: relative; + right: 75%; + left: auto; } + + .large-push-10 { + position: relative; + left: 83.33333%; + right: auto; } + + .large-pull-10 { + position: relative; + right: 83.33333%; + left: auto; } + + .large-push-11 { + position: relative; + left: 91.66667%; + right: auto; } + + .large-pull-11 { + position: relative; + right: 91.66667%; + left: auto; } + + .column, + .columns { + position: relative; + padding-left: 0.9375rem; + padding-right: 0.9375rem; + float: left; } + + .large-1 { + width: 8.33333%; } + + .large-2 { + width: 16.66667%; } + + .large-3 { + width: 25%; } + + .large-4 { + width: 33.33333%; } + + .large-5 { + width: 41.66667%; } + + .large-6 { + width: 50%; } + + .large-7 { + width: 58.33333%; } + + .large-8 { + width: 66.66667%; } + + .large-9 { + width: 75%; } + + .large-10 { + width: 83.33333%; } + + .large-11 { + width: 91.66667%; } + + .large-12 { + width: 100%; } + + .large-offset-0 { + margin-left: 0% !important; } + + .large-offset-1 { + margin-left: 8.33333% !important; } + + .large-offset-2 { + margin-left: 16.66667% !important; } + + .large-offset-3 { + margin-left: 25% !important; } + + .large-offset-4 { + margin-left: 33.33333% !important; } + + .large-offset-5 { + margin-left: 41.66667% !important; } + + .large-offset-6 { + margin-left: 50% !important; } + + .large-offset-7 { + margin-left: 58.33333% !important; } + + .large-offset-8 { + margin-left: 66.66667% !important; } + + .large-offset-9 { + margin-left: 75% !important; } + + .large-offset-10 { + margin-left: 83.33333% !important; } + + .large-offset-11 { + margin-left: 91.66667% !important; } + + .large-reset-order { + margin-left: 0; + margin-right: 0; + left: auto; + right: auto; + float: left; } + + .column.large-centered, + .columns.large-centered { + margin-left: auto; + margin-right: auto; + float: none; } + + .column.large-uncentered, + .columns.large-uncentered { + margin-left: 0; + margin-right: 0; + float: left; } + + .column.large-centered:last-child, + .columns.large-centered:last-child { + float: none; } + + .column.large-uncentered:last-child, + .columns.large-uncentered:last-child { + float: left; } + + .column.large-uncentered.opposite, + .columns.large-uncentered.opposite { + float: right; } + + .push-0 { + position: relative; + left: 0%; + right: auto; } + + .pull-0 { + position: relative; + right: 0%; + left: auto; } + + .push-1 { + position: relative; + left: 8.33333%; + right: auto; } + + .pull-1 { + position: relative; + right: 8.33333%; + left: auto; } + + .push-2 { + position: relative; + left: 16.66667%; + right: auto; } + + .pull-2 { + position: relative; + right: 16.66667%; + left: auto; } + + .push-3 { + position: relative; + left: 25%; + right: auto; } + + .pull-3 { + position: relative; + right: 25%; + left: auto; } + + .push-4 { + position: relative; + left: 33.33333%; + right: auto; } + + .pull-4 { + position: relative; + right: 33.33333%; + left: auto; } + + .push-5 { + position: relative; + left: 41.66667%; + right: auto; } + + .pull-5 { + position: relative; + right: 41.66667%; + left: auto; } + + .push-6 { + position: relative; + left: 50%; + right: auto; } + + .pull-6 { + position: relative; + right: 50%; + left: auto; } + + .push-7 { + position: relative; + left: 58.33333%; + right: auto; } + + .pull-7 { + position: relative; + right: 58.33333%; + left: auto; } + + .push-8 { + position: relative; + left: 66.66667%; + right: auto; } + + .pull-8 { + position: relative; + right: 66.66667%; + left: auto; } + + .push-9 { + position: relative; + left: 75%; + right: auto; } + + .pull-9 { + position: relative; + right: 75%; + left: auto; } + + .push-10 { + position: relative; + left: 83.33333%; + right: auto; } + + .pull-10 { + position: relative; + right: 83.33333%; + left: auto; } + + .push-11 { + position: relative; + left: 91.66667%; + right: auto; } + + .pull-11 { + position: relative; + right: 91.66667%; + left: auto; } } +button, .button { + border-style: solid; + border-width: 0px; + cursor: pointer; + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; + font-weight: normal; + line-height: normal; + margin: 0 0 1.25rem; + position: relative; + text-decoration: none; + text-align: center; + -webkit-appearance: none; + -webkit-border-radius: 0; + display: inline-block; + padding-top: 1rem; + padding-right: 2rem; + padding-bottom: 1.0625rem; + padding-left: 2rem; + font-size: 1rem; + background-color: #008cba; + border-color: #007095; + color: white; + transition: background-color 300ms ease-out; } + button:hover, button:focus, .button:hover, .button:focus { + background-color: #007095; } + button:hover, button:focus, .button:hover, .button:focus { + color: white; } + button.secondary, .button.secondary { + background-color: #e7e7e7; + border-color: #b9b9b9; + color: #333333; } + button.secondary:hover, button.secondary:focus, .button.secondary:hover, .button.secondary:focus { + background-color: #b9b9b9; } + button.secondary:hover, button.secondary:focus, .button.secondary:hover, .button.secondary:focus { + color: #333333; } + button.success, .button.success { + background-color: #43ac6a; + border-color: #368a55; + color: white; } + button.success:hover, button.success:focus, .button.success:hover, .button.success:focus { + background-color: #368a55; } + button.success:hover, button.success:focus, .button.success:hover, .button.success:focus { + color: white; } + button.alert, .button.alert { + background-color: #f04124; + border-color: #cf2a0e; + color: white; } + button.alert:hover, button.alert:focus, .button.alert:hover, .button.alert:focus { + background-color: #cf2a0e; } + button.alert:hover, button.alert:focus, .button.alert:hover, .button.alert:focus { + color: white; } + button.warning, .button.warning { + background-color: #f08a24; + border-color: #cf6e0e; + color: white; } + button.warning:hover, button.warning:focus, .button.warning:hover, .button.warning:focus { + background-color: #cf6e0e; } + button.warning:hover, button.warning:focus, .button.warning:hover, .button.warning:focus { + color: white; } + button.info, .button.info { + background-color: #a0d3e8; + border-color: #61b6d9; + color: #333333; } + button.info:hover, button.info:focus, .button.info:hover, .button.info:focus { + background-color: #61b6d9; } + button.info:hover, button.info:focus, .button.info:hover, .button.info:focus { + color: white; } + button.large, .button.large { + padding-top: 1.125rem; + padding-right: 2.25rem; + padding-bottom: 1.1875rem; + padding-left: 2.25rem; + font-size: 1.25rem; } + button.small, .button.small { + padding-top: 0.875rem; + padding-right: 1.75rem; + padding-bottom: 0.9375rem; + padding-left: 1.75rem; + font-size: 0.8125rem; } + button.tiny, .button.tiny { + padding-top: 0.625rem; + padding-right: 1.25rem; + padding-bottom: 0.6875rem; + padding-left: 1.25rem; + font-size: 0.6875rem; } + button.expand, .button.expand { + padding-right: 0; + padding-left: 0; + width: 100%; } + button.left-align, .button.left-align { + text-align: left; + text-indent: 0.75rem; } + button.right-align, .button.right-align { + text-align: right; + padding-right: 0.75rem; } + button.radius, .button.radius { + border-radius: 3px; } + button.round, .button.round { + border-radius: 1000px; } + button.disabled, button[disabled], .button.disabled, .button[disabled] { + background-color: #008cba; + border-color: #007095; + color: white; + cursor: default; + opacity: 0.7; + box-shadow: none; } + button.disabled:hover, button.disabled:focus, button[disabled]:hover, button[disabled]:focus, .button.disabled:hover, .button.disabled:focus, .button[disabled]:hover, .button[disabled]:focus { + background-color: #007095; } + button.disabled:hover, button.disabled:focus, button[disabled]:hover, button[disabled]:focus, .button.disabled:hover, .button.disabled:focus, .button[disabled]:hover, .button[disabled]:focus { + color: white; } + button.disabled:hover, button.disabled:focus, button[disabled]:hover, button[disabled]:focus, .button.disabled:hover, .button.disabled:focus, .button[disabled]:hover, .button[disabled]:focus { + background-color: #008cba; } + button.disabled.secondary, button[disabled].secondary, .button.disabled.secondary, .button[disabled].secondary { + background-color: #e7e7e7; + border-color: #b9b9b9; + color: #333333; + cursor: default; + opacity: 0.7; + box-shadow: none; } + button.disabled.secondary:hover, button.disabled.secondary:focus, button[disabled].secondary:hover, button[disabled].secondary:focus, .button.disabled.secondary:hover, .button.disabled.secondary:focus, .button[disabled].secondary:hover, .button[disabled].secondary:focus { + background-color: #b9b9b9; } + button.disabled.secondary:hover, button.disabled.secondary:focus, button[disabled].secondary:hover, button[disabled].secondary:focus, .button.disabled.secondary:hover, .button.disabled.secondary:focus, .button[disabled].secondary:hover, .button[disabled].secondary:focus { + color: #333333; } + button.disabled.secondary:hover, button.disabled.secondary:focus, button[disabled].secondary:hover, button[disabled].secondary:focus, .button.disabled.secondary:hover, .button.disabled.secondary:focus, .button[disabled].secondary:hover, .button[disabled].secondary:focus { + background-color: #e7e7e7; } + button.disabled.success, button[disabled].success, .button.disabled.success, .button[disabled].success { + background-color: #43ac6a; + border-color: #368a55; + color: white; + cursor: default; + opacity: 0.7; + box-shadow: none; } + button.disabled.success:hover, button.disabled.success:focus, button[disabled].success:hover, button[disabled].success:focus, .button.disabled.success:hover, .button.disabled.success:focus, .button[disabled].success:hover, .button[disabled].success:focus { + background-color: #368a55; } + button.disabled.success:hover, button.disabled.success:focus, button[disabled].success:hover, button[disabled].success:focus, .button.disabled.success:hover, .button.disabled.success:focus, .button[disabled].success:hover, .button[disabled].success:focus { + color: white; } + button.disabled.success:hover, button.disabled.success:focus, button[disabled].success:hover, button[disabled].success:focus, .button.disabled.success:hover, .button.disabled.success:focus, .button[disabled].success:hover, .button[disabled].success:focus { + background-color: #43ac6a; } + button.disabled.alert, button[disabled].alert, .button.disabled.alert, .button[disabled].alert { + background-color: #f04124; + border-color: #cf2a0e; + color: white; + cursor: default; + opacity: 0.7; + box-shadow: none; } + button.disabled.alert:hover, button.disabled.alert:focus, button[disabled].alert:hover, button[disabled].alert:focus, .button.disabled.alert:hover, .button.disabled.alert:focus, .button[disabled].alert:hover, .button[disabled].alert:focus { + background-color: #cf2a0e; } + button.disabled.alert:hover, button.disabled.alert:focus, button[disabled].alert:hover, button[disabled].alert:focus, .button.disabled.alert:hover, .button.disabled.alert:focus, .button[disabled].alert:hover, .button[disabled].alert:focus { + color: white; } + button.disabled.alert:hover, button.disabled.alert:focus, button[disabled].alert:hover, button[disabled].alert:focus, .button.disabled.alert:hover, .button.disabled.alert:focus, .button[disabled].alert:hover, .button[disabled].alert:focus { + background-color: #f04124; } + button.disabled.warning, button[disabled].warning, .button.disabled.warning, .button[disabled].warning { + background-color: #f08a24; + border-color: #cf6e0e; + color: white; + cursor: default; + opacity: 0.7; + box-shadow: none; } + button.disabled.warning:hover, button.disabled.warning:focus, button[disabled].warning:hover, button[disabled].warning:focus, .button.disabled.warning:hover, .button.disabled.warning:focus, .button[disabled].warning:hover, .button[disabled].warning:focus { + background-color: #cf6e0e; } + button.disabled.warning:hover, button.disabled.warning:focus, button[disabled].warning:hover, button[disabled].warning:focus, .button.disabled.warning:hover, .button.disabled.warning:focus, .button[disabled].warning:hover, .button[disabled].warning:focus { + color: white; } + button.disabled.warning:hover, button.disabled.warning:focus, button[disabled].warning:hover, button[disabled].warning:focus, .button.disabled.warning:hover, .button.disabled.warning:focus, .button[disabled].warning:hover, .button[disabled].warning:focus { + background-color: #f08a24; } + button.disabled.info, button[disabled].info, .button.disabled.info, .button[disabled].info { + background-color: #a0d3e8; + border-color: #61b6d9; + color: #333333; + cursor: default; + opacity: 0.7; + box-shadow: none; } + button.disabled.info:hover, button.disabled.info:focus, button[disabled].info:hover, button[disabled].info:focus, .button.disabled.info:hover, .button.disabled.info:focus, .button[disabled].info:hover, .button[disabled].info:focus { + background-color: #61b6d9; } + button.disabled.info:hover, button.disabled.info:focus, button[disabled].info:hover, button[disabled].info:focus, .button.disabled.info:hover, .button.disabled.info:focus, .button[disabled].info:hover, .button[disabled].info:focus { + color: white; } + button.disabled.info:hover, button.disabled.info:focus, button[disabled].info:hover, button[disabled].info:focus, .button.disabled.info:hover, .button.disabled.info:focus, .button[disabled].info:hover, .button[disabled].info:focus { + background-color: #a0d3e8; } + +button::-moz-focus-inner { + border: 0; + padding: 0; } + +@media only screen and (min-width: 40.063em) { + button, .button { + display: inline-block; } } +/* Standard Forms */ +form { + margin: 0 0 1rem; } + +/* Using forms within rows, we need to set some defaults */ +form .row .row { + margin: 0 -0.5rem; } + form .row .row .column, + form .row .row .columns { + padding: 0 0.5rem; } + form .row .row.collapse { + margin: 0; } + form .row .row.collapse .column, + form .row .row.collapse .columns { + padding: 0; } + form .row .row.collapse input { + -webkit-border-bottom-right-radius: 0; + -webkit-border-top-right-radius: 0; + border-bottom-right-radius: 0; + border-top-right-radius: 0; } +form .row input.column, +form .row input.columns, +form .row textarea.column, +form .row textarea.columns { + padding-left: 0.5rem; } + +/* Label Styles */ +label { + font-size: 0.875rem; + color: #4d4d4d; + cursor: pointer; + display: block; + font-weight: normal; + line-height: 1.5; + margin-bottom: 0; + /* Styles for required inputs */ } + label.right { + float: none !important; + text-align: right; } + label.inline { + margin: 0 0 1rem 0; + padding: 0.5625rem 0; } + label small { + text-transform: capitalize; + color: #676767; } + +/* Attach elements to the beginning or end of an input */ +.prefix, +.postfix { + display: block; + position: relative; + z-index: 2; + text-align: center; + width: 100%; + padding-top: 0; + padding-bottom: 0; + border-style: solid; + border-width: 1px; + overflow: hidden; + font-size: 0.875rem; + height: 2.3125rem; + line-height: 2.3125rem; } + +/* Adjust padding, alignment and radius if pre/post element is a button */ +.postfix.button { + padding-left: 0; + padding-right: 0; + padding-top: 0; + padding-bottom: 0; + text-align: center; + line-height: 2.125rem; + border: none; } + +.prefix.button { + padding-left: 0; + padding-right: 0; + padding-top: 0; + padding-bottom: 0; + text-align: center; + line-height: 2.125rem; + border: none; } + +.prefix.button.radius { + border-radius: 0; + -webkit-border-bottom-left-radius: 3px; + -webkit-border-top-left-radius: 3px; + border-bottom-left-radius: 3px; + border-top-left-radius: 3px; } + +.postfix.button.radius { + border-radius: 0; + -webkit-border-bottom-right-radius: 3px; + -webkit-border-top-right-radius: 3px; + border-bottom-right-radius: 3px; + border-top-right-radius: 3px; } + +.prefix.button.round { + border-radius: 0; + -webkit-border-bottom-left-radius: 1000px; + -webkit-border-top-left-radius: 1000px; + border-bottom-left-radius: 1000px; + border-top-left-radius: 1000px; } + +.postfix.button.round { + border-radius: 0; + -webkit-border-bottom-right-radius: 1000px; + -webkit-border-top-right-radius: 1000px; + border-bottom-right-radius: 1000px; + border-top-right-radius: 1000px; } + +/* Separate prefix and postfix styles when on span or label so buttons keep their own */ +span.prefix, label.prefix { + background: #f2f2f2; + border-right: none; + color: #333333; + border-color: #cccccc; } + +span.postfix, label.postfix { + background: #f2f2f2; + border-left: none; + color: #333333; + border-color: #cccccc; } + +/* We use this to get basic styling on all basic form elements */ +input[type="text"], +input[type="password"], +input[type="date"], +input[type="datetime"], +input[type="datetime-local"], +input[type="month"], +input[type="week"], +input[type="email"], +input[type="number"], +input[type="search"], +input[type="tel"], +input[type="time"], +input[type="url"], +input[type="color"], +textarea { + -webkit-appearance: none; + -webkit-border-radius: 0px; + background-color: white; + font-family: inherit; + border-style: solid; + border-width: 1px; + border-color: #cccccc; + box-shadow: inset 0 1px 2px rgba(0, 0, 0, 0.1); + color: rgba(0, 0, 0, 0.75); + display: block; + font-size: 0.875rem; + margin: 0 0 1rem 0; + padding: 0.5rem; + height: 2.3125rem; + width: 100%; + -webkit-box-sizing: border-box; + -moz-box-sizing: border-box; + box-sizing: border-box; + transition: box-shadow 0.45s, border-color 0.45s ease-in-out; } + input[type="text"]:focus, + input[type="password"]:focus, + input[type="date"]:focus, + input[type="datetime"]:focus, + input[type="datetime-local"]:focus, + input[type="month"]:focus, + input[type="week"]:focus, + input[type="email"]:focus, + input[type="number"]:focus, + input[type="search"]:focus, + input[type="tel"]:focus, + input[type="time"]:focus, + input[type="url"]:focus, + input[type="color"]:focus, + textarea:focus { + box-shadow: 0 0 5px #999999; + border-color: #999999; } + input[type="text"]:focus, + input[type="password"]:focus, + input[type="date"]:focus, + input[type="datetime"]:focus, + input[type="datetime-local"]:focus, + input[type="month"]:focus, + input[type="week"]:focus, + input[type="email"]:focus, + input[type="number"]:focus, + input[type="search"]:focus, + input[type="tel"]:focus, + input[type="time"]:focus, + input[type="url"]:focus, + input[type="color"]:focus, + textarea:focus { + background: #fafafa; + border-color: #999999; + outline: none; } + input[type="text"]:disabled, + input[type="password"]:disabled, + input[type="date"]:disabled, + input[type="datetime"]:disabled, + input[type="datetime-local"]:disabled, + input[type="month"]:disabled, + input[type="week"]:disabled, + input[type="email"]:disabled, + input[type="number"]:disabled, + input[type="search"]:disabled, + input[type="tel"]:disabled, + input[type="time"]:disabled, + input[type="url"]:disabled, + input[type="color"]:disabled, + textarea:disabled { + background-color: #dddddd; + cursor: default; } + input[type="text"][disabled], input[type="text"][readonly], fieldset[disabled] input[type="text"], + input[type="password"][disabled], + input[type="password"][readonly], fieldset[disabled] + input[type="password"], + input[type="date"][disabled], + input[type="date"][readonly], fieldset[disabled] + input[type="date"], + input[type="datetime"][disabled], + input[type="datetime"][readonly], fieldset[disabled] + input[type="datetime"], + input[type="datetime-local"][disabled], + input[type="datetime-local"][readonly], fieldset[disabled] + input[type="datetime-local"], + input[type="month"][disabled], + input[type="month"][readonly], fieldset[disabled] + input[type="month"], + input[type="week"][disabled], + input[type="week"][readonly], fieldset[disabled] + input[type="week"], + input[type="email"][disabled], + input[type="email"][readonly], fieldset[disabled] + input[type="email"], + input[type="number"][disabled], + input[type="number"][readonly], fieldset[disabled] + input[type="number"], + input[type="search"][disabled], + input[type="search"][readonly], fieldset[disabled] + input[type="search"], + input[type="tel"][disabled], + input[type="tel"][readonly], fieldset[disabled] + input[type="tel"], + input[type="time"][disabled], + input[type="time"][readonly], fieldset[disabled] + input[type="time"], + input[type="url"][disabled], + input[type="url"][readonly], fieldset[disabled] + input[type="url"], + input[type="color"][disabled], + input[type="color"][readonly], fieldset[disabled] + input[type="color"], + textarea[disabled], + textarea[readonly], fieldset[disabled] + textarea { + background-color: #dddddd; + cursor: default; } + input[type="text"].radius, + input[type="password"].radius, + input[type="date"].radius, + input[type="datetime"].radius, + input[type="datetime-local"].radius, + input[type="month"].radius, + input[type="week"].radius, + input[type="email"].radius, + input[type="number"].radius, + input[type="search"].radius, + input[type="tel"].radius, + input[type="time"].radius, + input[type="url"].radius, + input[type="color"].radius, + textarea.radius { + border-radius: 3px; } + +form .row .prefix-radius.row.collapse input, +form .row .prefix-radius.row.collapse textarea, +form .row .prefix-radius.row.collapse select { + border-radius: 0; + -webkit-border-bottom-right-radius: 3px; + -webkit-border-top-right-radius: 3px; + border-bottom-right-radius: 3px; + border-top-right-radius: 3px; } +form .row .prefix-radius.row.collapse .prefix { + border-radius: 0; + -webkit-border-bottom-left-radius: 3px; + -webkit-border-top-left-radius: 3px; + border-bottom-left-radius: 3px; + border-top-left-radius: 3px; } +form .row .postfix-radius.row.collapse input, +form .row .postfix-radius.row.collapse textarea, +form .row .postfix-radius.row.collapse select { + border-radius: 0; + -webkit-border-bottom-left-radius: 3px; + -webkit-border-top-left-radius: 3px; + border-bottom-left-radius: 3px; + border-top-left-radius: 3px; } +form .row .postfix-radius.row.collapse .postfix { + border-radius: 0; + -webkit-border-bottom-right-radius: 3px; + -webkit-border-top-right-radius: 3px; + border-bottom-right-radius: 3px; + border-top-right-radius: 3px; } +form .row .prefix-round.row.collapse input, +form .row .prefix-round.row.collapse textarea, +form .row .prefix-round.row.collapse select { + border-radius: 0; + -webkit-border-bottom-right-radius: 1000px; + -webkit-border-top-right-radius: 1000px; + border-bottom-right-radius: 1000px; + border-top-right-radius: 1000px; } +form .row .prefix-round.row.collapse .prefix { + border-radius: 0; + -webkit-border-bottom-left-radius: 1000px; + -webkit-border-top-left-radius: 1000px; + border-bottom-left-radius: 1000px; + border-top-left-radius: 1000px; } +form .row .postfix-round.row.collapse input, +form .row .postfix-round.row.collapse textarea, +form .row .postfix-round.row.collapse select { + border-radius: 0; + -webkit-border-bottom-left-radius: 1000px; + -webkit-border-top-left-radius: 1000px; + border-bottom-left-radius: 1000px; + border-top-left-radius: 1000px; } +form .row .postfix-round.row.collapse .postfix { + border-radius: 0; + -webkit-border-bottom-right-radius: 1000px; + -webkit-border-top-right-radius: 1000px; + border-bottom-right-radius: 1000px; + border-top-right-radius: 1000px; } + +input[type="submit"] { + -webkit-appearance: none; + -webkit-border-radius: 0px; } + +/* Respect enforced amount of rows for textarea */ +textarea[rows] { + height: auto; } + +/* Not allow resize out of parent */ +textarea { + max-width: 100%; } + +/* Add height value for select elements to match text input height */ +select { + -webkit-appearance: none !important; + -webkit-border-radius: 0px; + background-color: #fafafa; + background-image: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZlcnNpb249IjEuMSIgeD0iMTJweCIgeT0iMHB4IiB3aWR0aD0iMjRweCIgaGVpZ2h0PSIzcHgiIHZpZXdCb3g9IjAgMCA2IDMiIGVuYWJsZS1iYWNrZ3JvdW5kPSJuZXcgMCAwIDYgMyIgeG1sOnNwYWNlPSJwcmVzZXJ2ZSI+PHBvbHlnb24gcG9pbnRzPSI1Ljk5MiwwIDIuOTkyLDMgLTAuMDA4LDAgIi8+PC9zdmc+); + background-position: 100% center; + background-repeat: no-repeat; + border-style: solid; + border-width: 1px; + border-color: #cccccc; + padding: 0.5rem; + font-size: 0.875rem; + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; + color: rgba(0, 0, 0, 0.75); + line-height: normal; + border-radius: 0; + height: 2.3125rem; } + select::-ms-expand { + display: none; } + select.radius { + border-radius: 3px; } + select:hover { + background-color: #f3f3f3; + border-color: #999999; } + select:disabled { + background-color: #dddddd; + cursor: default; } + +/* Adjust margin for form elements below */ +input[type="file"], +input[type="checkbox"], +input[type="radio"], +select { + margin: 0 0 1rem 0; } + +input[type="checkbox"] + label, +input[type="radio"] + label { + display: inline-block; + margin-left: 0.5rem; + margin-right: 1rem; + margin-bottom: 0; + vertical-align: baseline; } + +/* Normalize file input width */ +input[type="file"] { + width: 100%; } + +/* HTML5 Number spinners settings */ +/* We add basic fieldset styling */ +fieldset { + border: 1px solid #dddddd; + padding: 1.25rem; + margin: 1.125rem 0; } + fieldset legend { + font-weight: bold; + background: white; + padding: 0 0.1875rem; + margin: 0; + margin-left: -0.1875rem; } + +/* Error Handling */ +[data-abide] .error small.error, [data-abide] .error span.error, [data-abide] span.error, [data-abide] small.error { + display: block; + padding: 0.375rem 0.5625rem 0.5625rem; + margin-top: -1px; + margin-bottom: 1rem; + font-size: 0.75rem; + font-weight: normal; + font-style: italic; + background: #f04124; + color: white; } +[data-abide] span.error, [data-abide] small.error { + display: none; } + +span.error, small.error { + display: block; + padding: 0.375rem 0.5625rem 0.5625rem; + margin-top: -1px; + margin-bottom: 1rem; + font-size: 0.75rem; + font-weight: normal; + font-style: italic; + background: #f04124; + color: white; } + +.error input, +.error textarea, +.error select { + margin-bottom: 0; } +.error input[type="checkbox"], +.error input[type="radio"] { + margin-bottom: 1rem; } +.error label, +.error label.error { + color: #f04124; } +.error small.error { + display: block; + padding: 0.375rem 0.5625rem 0.5625rem; + margin-top: -1px; + margin-bottom: 1rem; + font-size: 0.75rem; + font-weight: normal; + font-style: italic; + background: #f04124; + color: white; } +.error > label > small { + color: #676767; + background: transparent; + padding: 0; + text-transform: capitalize; + font-style: normal; + font-size: 60%; + margin: 0; + display: inline; } +.error span.error-message { + display: block; } + +input.error, +textarea.error, +select.error { + margin-bottom: 0; } + +label.error { + color: #f04124; } + +meta.foundation-mq-topbar { + font-family: "/only screen and (min-width:40.063em)/"; + width: 40.063em; } + +/* Wrapped around .top-bar to contain to grid width */ +.contain-to-grid { + width: 100%; + background: #333333; } + .contain-to-grid .top-bar { + margin-bottom: 0; } + +.fixed { + width: 100%; + left: 0; + position: fixed; + top: 0; + z-index: 99; } + .fixed.expanded:not(.top-bar) { + overflow-y: auto; + height: auto; + width: 100%; + max-height: 100%; } + .fixed.expanded:not(.top-bar) .title-area { + position: fixed; + width: 100%; + z-index: 99; } + .fixed.expanded:not(.top-bar) .top-bar-section { + z-index: 98; + margin-top: 45px; } + +.top-bar { + overflow: hidden; + height: 45px; + line-height: 45px; + position: relative; + background: #333333; + margin-bottom: 0; } + .top-bar ul { + margin-bottom: 0; + list-style: none; } + .top-bar .row { + max-width: none; } + .top-bar form, + .top-bar input { + margin-bottom: 0; } + .top-bar input { + height: 1.8rem; + padding-top: .35rem; + padding-bottom: .35rem; + font-size: 0.75rem; } + .top-bar .button, .top-bar button { + padding-top: 0.4125rem; + padding-bottom: 0.4125rem; + margin-bottom: 0; + font-size: 0.75rem; } + @media only screen and (max-width: 40em) { + .top-bar .button, .top-bar button { + position: relative; + top: -1px; } } + .top-bar .title-area { + position: relative; + margin: 0; } + .top-bar .name { + height: 45px; + margin: 0; + font-size: 16px; } + .top-bar .name h1 { + line-height: 45px; + font-size: 1.0625rem; + margin: 0; } + .top-bar .name h1 a { + font-weight: normal; + color: white; + width: 75%; + display: block; + padding: 0 15px; } + .top-bar .toggle-topbar { + position: absolute; + right: 0; + top: 0; } + .top-bar .toggle-topbar a { + color: white; + text-transform: uppercase; + font-size: 0.8125rem; + font-weight: bold; + position: relative; + display: block; + padding: 0 15px; + height: 45px; + line-height: 45px; } + .top-bar .toggle-topbar.menu-icon { + top: 50%; + margin-top: -16px; } + .top-bar .toggle-topbar.menu-icon a { + height: 34px; + line-height: 33px; + padding: 0 40px 0 15px; + color: white; + position: relative; } + .top-bar .toggle-topbar.menu-icon a span::after { + content: ""; + position: absolute; + display: block; + height: 0; + top: 50%; + margin-top: -8px; + right: 15px; + box-shadow: 0 0px 0 1px white, 0 7px 0 1px white, 0 14px 0 1px white; + width: 16px; } + .top-bar .toggle-topbar.menu-icon a span:hover:after { + box-shadow: 0 0px 0 1px "", 0 7px 0 1px "", 0 14px 0 1px ""; } + .top-bar.expanded { + height: auto; + background: transparent; } + .top-bar.expanded .title-area { + background: #333333; } + .top-bar.expanded .toggle-topbar a { + color: #888888; } + .top-bar.expanded .toggle-topbar a span::after { + box-shadow: 0 0px 0 1px #888888, 0 7px 0 1px #888888, 0 14px 0 1px #888888; } + +.top-bar-section { + left: 0; + position: relative; + width: auto; + transition: left 300ms ease-out; } + .top-bar-section ul { + padding: 0; + width: 100%; + height: auto; + display: block; + font-size: 16px; + margin: 0; } + .top-bar-section .divider, + .top-bar-section [role="separator"] { + border-top: solid 1px #1a1a1a; + clear: both; + height: 1px; + width: 100%; } + .top-bar-section ul li { + background: #333333; } + .top-bar-section ul li > a { + display: block; + width: 100%; + color: white; + padding: 12px 0 12px 0; + padding-left: 15px; + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; + font-size: 0.8125rem; + font-weight: normal; + text-transform: none; } + .top-bar-section ul li > a.button { + font-size: 0.8125rem; + padding-right: 15px; + padding-left: 15px; + background-color: #008cba; + border-color: #007095; + color: white; } + .top-bar-section ul li > a.button:hover, .top-bar-section ul li > a.button:focus { + background-color: #007095; } + .top-bar-section ul li > a.button:hover, .top-bar-section ul li > a.button:focus { + color: white; } + .top-bar-section ul li > a.button.secondary { + background-color: #e7e7e7; + border-color: #b9b9b9; + color: #333333; } + .top-bar-section ul li > a.button.secondary:hover, .top-bar-section ul li > a.button.secondary:focus { + background-color: #b9b9b9; } + .top-bar-section ul li > a.button.secondary:hover, .top-bar-section ul li > a.button.secondary:focus { + color: #333333; } + .top-bar-section ul li > a.button.success { + background-color: #43ac6a; + border-color: #368a55; + color: white; } + .top-bar-section ul li > a.button.success:hover, .top-bar-section ul li > a.button.success:focus { + background-color: #368a55; } + .top-bar-section ul li > a.button.success:hover, .top-bar-section ul li > a.button.success:focus { + color: white; } + .top-bar-section ul li > a.button.alert { + background-color: #f04124; + border-color: #cf2a0e; + color: white; } + .top-bar-section ul li > a.button.alert:hover, .top-bar-section ul li > a.button.alert:focus { + background-color: #cf2a0e; } + .top-bar-section ul li > a.button.alert:hover, .top-bar-section ul li > a.button.alert:focus { + color: white; } + .top-bar-section ul li > a.button.warning { + background-color: #f08a24; + border-color: #cf6e0e; + color: white; } + .top-bar-section ul li > a.button.warning:hover, .top-bar-section ul li > a.button.warning:focus { + background-color: #cf6e0e; } + .top-bar-section ul li > a.button.warning:hover, .top-bar-section ul li > a.button.warning:focus { + color: white; } + .top-bar-section ul li > button { + font-size: 0.8125rem; + padding-right: 15px; + padding-left: 15px; + background-color: #008cba; + border-color: #007095; + color: white; } + .top-bar-section ul li > button:hover, .top-bar-section ul li > button:focus { + background-color: #007095; } + .top-bar-section ul li > button:hover, .top-bar-section ul li > button:focus { + color: white; } + .top-bar-section ul li > button.secondary { + background-color: #e7e7e7; + border-color: #b9b9b9; + color: #333333; } + .top-bar-section ul li > button.secondary:hover, .top-bar-section ul li > button.secondary:focus { + background-color: #b9b9b9; } + .top-bar-section ul li > button.secondary:hover, .top-bar-section ul li > button.secondary:focus { + color: #333333; } + .top-bar-section ul li > button.success { + background-color: #43ac6a; + border-color: #368a55; + color: white; } + .top-bar-section ul li > button.success:hover, .top-bar-section ul li > button.success:focus { + background-color: #368a55; } + .top-bar-section ul li > button.success:hover, .top-bar-section ul li > button.success:focus { + color: white; } + .top-bar-section ul li > button.alert { + background-color: #f04124; + border-color: #cf2a0e; + color: white; } + .top-bar-section ul li > button.alert:hover, .top-bar-section ul li > button.alert:focus { + background-color: #cf2a0e; } + .top-bar-section ul li > button.alert:hover, .top-bar-section ul li > button.alert:focus { + color: white; } + .top-bar-section ul li > button.warning { + background-color: #f08a24; + border-color: #cf6e0e; + color: white; } + .top-bar-section ul li > button.warning:hover, .top-bar-section ul li > button.warning:focus { + background-color: #cf6e0e; } + .top-bar-section ul li > button.warning:hover, .top-bar-section ul li > button.warning:focus { + color: white; } + .top-bar-section ul li:hover:not(.has-form) > a { + background-color: #555555; + background: #272727; + color: white; } + .top-bar-section ul li.active > a { + background: #008cba; + color: white; } + .top-bar-section ul li.active > a:hover { + background: #0078a0; + color: white; } + .top-bar-section .has-form { + padding: 15px; } + .top-bar-section .has-dropdown { + position: relative; } + .top-bar-section .has-dropdown > a:after { + content: ""; + display: block; + width: 0; + height: 0; + border: inset 5px; + border-color: transparent transparent transparent rgba(255, 255, 255, 0.4); + border-left-style: solid; + margin-right: 15px; + margin-top: -4.5px; + position: absolute; + top: 50%; + right: 0; } + .top-bar-section .has-dropdown.moved { + position: static; } + .top-bar-section .has-dropdown.moved > .dropdown { + display: block; + position: static !important; + height: auto; + width: auto; + overflow: visible; + clip: auto; + position: absolute !important; + width: 100%; } + .top-bar-section .has-dropdown.moved > a:after { + display: none; } + .top-bar-section .dropdown { + padding: 0; + position: absolute; + left: 100%; + top: 0; + z-index: 99; + display: block; + position: absolute !important; + height: 1px; + width: 1px; + overflow: hidden; + clip: rect(1px, 1px, 1px, 1px); } + .top-bar-section .dropdown li { + width: 100%; + height: auto; } + .top-bar-section .dropdown li a { + font-weight: normal; + padding: 8px 15px; } + .top-bar-section .dropdown li a.parent-link { + font-weight: normal; } + .top-bar-section .dropdown li.title h5, .top-bar-section .dropdown li.parent-link { + margin-bottom: 0; + margin-top: 0; + font-size: 1.125rem; } + .top-bar-section .dropdown li.title h5 a, .top-bar-section .dropdown li.parent-link a { + color: white; + display: block; } + .top-bar-section .dropdown li.title h5 a:hover, .top-bar-section .dropdown li.parent-link a:hover { + background: none; } + .top-bar-section .dropdown li.has-form { + padding: 8px 15px; } + .top-bar-section .dropdown li .button, .top-bar-section .dropdown li button { + top: auto; } + .top-bar-section .dropdown label { + padding: 8px 15px 2px; + margin-bottom: 0; + text-transform: uppercase; + color: #777777; + font-weight: bold; + font-size: 0.625rem; } + +.js-generated { + display: block; } + +@media only screen and (min-width: 40.063em) { + .top-bar { + background: #333333; + overflow: visible; } + .top-bar:before, .top-bar:after { + content: " "; + display: table; } + .top-bar:after { + clear: both; } + .top-bar .toggle-topbar { + display: none; } + .top-bar .title-area { + float: left; } + .top-bar .name h1 a { + width: auto; } + .top-bar input, + .top-bar .button, + .top-bar button { + font-size: 0.875rem; + position: relative; + top: 7px; } + .top-bar.expanded { + background: #333333; } + + .contain-to-grid .top-bar { + max-width: 62.5rem; + margin: 0 auto; + margin-bottom: 0; } + + .top-bar-section { + transition: none 0 0; + left: 0 !important; } + .top-bar-section ul { + width: auto; + height: auto !important; + display: inline; } + .top-bar-section ul li { + float: left; } + .top-bar-section ul li .js-generated { + display: none; } + .top-bar-section li.hover > a:not(.button) { + background-color: #555555; + background: #272727; + color: white; } + .top-bar-section li:not(.has-form) a:not(.button) { + padding: 0 15px; + line-height: 45px; + background: #333333; } + .top-bar-section li:not(.has-form) a:not(.button):hover { + background-color: #555555; + background: #272727; } + .top-bar-section li.active:not(.has-form) a:not(.button) { + padding: 0 15px; + line-height: 45px; + color: white; + background: #008cba; } + .top-bar-section li.active:not(.has-form) a:not(.button):hover { + background: #0078a0; + color: white; } + .top-bar-section .has-dropdown > a { + padding-right: 35px !important; } + .top-bar-section .has-dropdown > a:after { + content: ""; + display: block; + width: 0; + height: 0; + border: inset 5px; + border-color: rgba(255, 255, 255, 0.4) transparent transparent transparent; + border-top-style: solid; + margin-top: -2.5px; + top: 22.5px; } + .top-bar-section .has-dropdown.moved { + position: relative; } + .top-bar-section .has-dropdown.moved > .dropdown { + display: block; + position: absolute !important; + height: 1px; + width: 1px; + overflow: hidden; + clip: rect(1px, 1px, 1px, 1px); } + .top-bar-section .has-dropdown.hover > .dropdown, .top-bar-section .has-dropdown.not-click:hover > .dropdown { + display: block; + position: static !important; + height: auto; + width: auto; + overflow: visible; + clip: auto; + position: absolute !important; } + .top-bar-section .has-dropdown > a:focus + .dropdown { + display: block; + position: static !important; + height: auto; + width: auto; + overflow: visible; + clip: auto; + position: absolute !important; } + .top-bar-section .has-dropdown .dropdown li.has-dropdown > a:after { + border: none; + content: "\00bb"; + top: 1rem; + margin-top: -1px; + right: 5px; + line-height: 1.2; } + .top-bar-section .dropdown { + left: 0; + top: auto; + background: transparent; + min-width: 100%; } + .top-bar-section .dropdown li a { + color: white; + line-height: 45px; + white-space: nowrap; + padding: 12px 15px; + background: #333333; } + .top-bar-section .dropdown li:not(.has-form):not(.active) > a:not(.button) { + color: white; + background: #333333; } + .top-bar-section .dropdown li:not(.has-form):not(.active):hover > a:not(.button) { + color: white; + background-color: #555555; + background: #272727; } + .top-bar-section .dropdown li label { + white-space: nowrap; + background: #333333; } + .top-bar-section .dropdown li .dropdown { + left: 100%; + top: 0; } + .top-bar-section > ul > .divider, .top-bar-section > ul > [role="separator"] { + border-bottom: none; + border-top: none; + border-right: solid 1px #4e4e4e; + clear: none; + height: 45px; + width: 0; } + .top-bar-section .has-form { + background: #333333; + padding: 0 15px; + height: 45px; } + .top-bar-section .right li .dropdown { + left: auto; + right: 0; } + .top-bar-section .right li .dropdown li .dropdown { + right: 100%; } + .top-bar-section .left li .dropdown { + right: auto; + left: 0; } + .top-bar-section .left li .dropdown li .dropdown { + left: 100%; } + + .no-js .top-bar-section ul li:hover > a { + background-color: #555555; + background: #272727; + color: white; } + .no-js .top-bar-section ul li:active > a { + background: #008cba; + color: white; } + .no-js .top-bar-section .has-dropdown:hover > .dropdown { + display: block; + position: static !important; + height: auto; + width: auto; + overflow: visible; + clip: auto; + position: absolute !important; } + .no-js .top-bar-section .has-dropdown > a:focus + .dropdown { + display: block; + position: static !important; + height: auto; + width: auto; + overflow: visible; + clip: auto; + position: absolute !important; } } +.breadcrumbs { + display: block; + padding: 0.5625rem 0.875rem 0.5625rem; + overflow: hidden; + margin-left: 0; + list-style: none; + border-style: solid; + border-width: 1px; + background-color: #f4f4f4; + border-color: gainsboro; + border-radius: 3px; } + .breadcrumbs > * { + margin: 0; + float: left; + font-size: 0.6875rem; + line-height: 0.6875rem; + text-transform: uppercase; + color: #008cba; } + .breadcrumbs > *:hover a, .breadcrumbs > *:focus a { + text-decoration: underline; } + .breadcrumbs > * a { + color: #008cba; } + .breadcrumbs > *.current { + cursor: default; + color: #333333; } + .breadcrumbs > *.current a { + cursor: default; + color: #333333; } + .breadcrumbs > *.current:hover, .breadcrumbs > *.current:hover a, .breadcrumbs > *.current:focus, .breadcrumbs > *.current:focus a { + text-decoration: none; } + .breadcrumbs > *.unavailable { + color: #999999; } + .breadcrumbs > *.unavailable a { + color: #999999; } + .breadcrumbs > *.unavailable:hover, .breadcrumbs > *.unavailable:hover a, .breadcrumbs > *.unavailable:focus, + .breadcrumbs > *.unavailable a:focus { + text-decoration: none; + color: #999999; + cursor: default; } + .breadcrumbs > *:before { + content: "/"; + color: #aaaaaa; + margin: 0 0.75rem; + position: relative; + top: 1px; } + .breadcrumbs > *:first-child:before { + content: " "; + margin: 0; } + +/* Accessibility - hides the forward slash */ +[aria-label="breadcrumbs"] [aria-hidden="true"]:after { + content: "/"; } + +.alert-box { + border-style: solid; + border-width: 1px; + display: block; + font-weight: normal; + margin-bottom: 1.25rem; + position: relative; + padding: 0.875rem 1.5rem 0.875rem 0.875rem; + font-size: 0.8125rem; + transition: opacity 300ms ease-out; + background-color: #008cba; + border-color: #0078a0; + color: white; } + .alert-box .close { + font-size: 1.375rem; + padding: 9px 6px 4px; + line-height: 0; + position: absolute; + top: 50%; + margin-top: -0.6875rem; + right: 0.25rem; + color: #333333; + opacity: 0.3; + background: inherit; } + .alert-box .close:hover, .alert-box .close:focus { + opacity: 0.5; } + .alert-box.radius { + border-radius: 3px; } + .alert-box.round { + border-radius: 1000px; } + .alert-box.success { + background-color: #43ac6a; + border-color: #3a945b; + color: white; } + .alert-box.alert { + background-color: #f04124; + border-color: #de2d0f; + color: white; } + .alert-box.secondary { + background-color: #e7e7e7; + border-color: #c7c7c7; + color: #4f4f4f; } + .alert-box.warning { + background-color: #f08a24; + border-color: #de770f; + color: white; } + .alert-box.info { + background-color: #a0d3e8; + border-color: #74bfdd; + color: #4f4f4f; } + .alert-box.alert-close { + opacity: 0; } + +.inline-list { + margin: 0 auto 1.0625rem auto; + margin-left: -1.375rem; + margin-right: 0; + padding: 0; + list-style: none; + overflow: hidden; } + .inline-list > li { + list-style: none; + float: left; + margin-left: 1.375rem; + display: block; } + .inline-list > li > * { + display: block; } + +.button-group { + list-style: none; + margin: 0; + left: 0; } + .button-group:before, .button-group:after { + content: " "; + display: table; } + .button-group:after { + clear: both; } + .button-group > li { + margin: 0 -2px; + display: inline-block; } + .button-group > li > button, .button-group > li .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group > li:first-child button, .button-group > li:first-child .button { + border-left: 0; } + .button-group.stack > li { + margin: 0 -2px; + display: inline-block; + display: block; + margin: 0; + float: none; } + .button-group.stack > li > button, .button-group.stack > li .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.stack > li:first-child button, .button-group.stack > li:first-child .button { + border-left: 0; } + .button-group.stack > li > button, .button-group.stack > li .button { + border-top: 1px solid; + border-color: rgba(255, 255, 255, 0.5); + border-left-width: 0px; + margin: 0; + display: block; } + .button-group.stack > li:first-child button, .button-group.stack > li:first-child .button { + border-top: 0; } + .button-group.stack-for-small > li { + margin: 0 -2px; + display: inline-block; } + .button-group.stack-for-small > li > button, .button-group.stack-for-small > li .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.stack-for-small > li:first-child button, .button-group.stack-for-small > li:first-child .button { + border-left: 0; } + @media only screen and (max-width: 40em) { + .button-group.stack-for-small > li { + margin: 0 -2px; + display: inline-block; + display: block; + margin: 0; } + .button-group.stack-for-small > li > button, .button-group.stack-for-small > li .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.stack-for-small > li:first-child button, .button-group.stack-for-small > li:first-child .button { + border-left: 0; } + .button-group.stack-for-small > li > button, .button-group.stack-for-small > li .button { + border-top: 1px solid; + border-color: rgba(255, 255, 255, 0.5); + border-left-width: 0px; + margin: 0; + display: block; } + .button-group.stack-for-small > li:first-child button, .button-group.stack-for-small > li:first-child .button { + border-top: 0; } } + .button-group.radius > * { + margin: 0 -2px; + display: inline-block; } + .button-group.radius > * > button, .button-group.radius > * .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.radius > *:first-child button, .button-group.radius > *:first-child .button { + border-left: 0; } + .button-group.radius > *, .button-group.radius > * > a, .button-group.radius > * > button, .button-group.radius > * > .button { + border-radius: 0; } + .button-group.radius > *:first-child, .button-group.radius > *:first-child > a, .button-group.radius > *:first-child > button, .button-group.radius > *:first-child > .button { + -webkit-border-bottom-left-radius: 3px; + -webkit-border-top-left-radius: 3px; + border-bottom-left-radius: 3px; + border-top-left-radius: 3px; } + .button-group.radius > *:last-child, .button-group.radius > *:last-child > a, .button-group.radius > *:last-child > button, .button-group.radius > *:last-child > .button { + -webkit-border-bottom-right-radius: 3px; + -webkit-border-top-right-radius: 3px; + border-bottom-right-radius: 3px; + border-top-right-radius: 3px; } + .button-group.radius.stack > * { + margin: 0 -2px; + display: inline-block; + display: block; + margin: 0; } + .button-group.radius.stack > * > button, .button-group.radius.stack > * .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.radius.stack > *:first-child button, .button-group.radius.stack > *:first-child .button { + border-left: 0; } + .button-group.radius.stack > * > button, .button-group.radius.stack > * .button { + border-top: 1px solid; + border-color: rgba(255, 255, 255, 0.5); + border-left-width: 0px; + margin: 0; + display: block; } + .button-group.radius.stack > *:first-child button, .button-group.radius.stack > *:first-child .button { + border-top: 0; } + .button-group.radius.stack > *, .button-group.radius.stack > * > a, .button-group.radius.stack > * > button, .button-group.radius.stack > * > .button { + border-radius: 0; } + .button-group.radius.stack > *:first-child, .button-group.radius.stack > *:first-child > a, .button-group.radius.stack > *:first-child > button, .button-group.radius.stack > *:first-child > .button { + -webkit-top-left-radius: 3px; + -webkit-top-right-radius: 3px; + border-top-left-radius: 3px; + border-top-right-radius: 3px; } + .button-group.radius.stack > *:last-child, .button-group.radius.stack > *:last-child > a, .button-group.radius.stack > *:last-child > button, .button-group.radius.stack > *:last-child > .button { + -webkit-bottom-left-radius: 3px; + -webkit-bottom-right-radius: 3px; + border-bottom-left-radius: 3px; + border-bottom-right-radius: 3px; } + @media only screen and (min-width: 40.063em) { + .button-group.radius.stack-for-small > * { + margin: 0 -2px; + display: inline-block; } + .button-group.radius.stack-for-small > * > button, .button-group.radius.stack-for-small > * .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.radius.stack-for-small > *:first-child button, .button-group.radius.stack-for-small > *:first-child .button { + border-left: 0; } + .button-group.radius.stack-for-small > *, .button-group.radius.stack-for-small > * > a, .button-group.radius.stack-for-small > * > button, .button-group.radius.stack-for-small > * > .button { + border-radius: 0; } + .button-group.radius.stack-for-small > *:first-child, .button-group.radius.stack-for-small > *:first-child > a, .button-group.radius.stack-for-small > *:first-child > button, .button-group.radius.stack-for-small > *:first-child > .button { + -webkit-border-bottom-left-radius: 3px; + -webkit-border-top-left-radius: 3px; + border-bottom-left-radius: 3px; + border-top-left-radius: 3px; } + .button-group.radius.stack-for-small > *:last-child, .button-group.radius.stack-for-small > *:last-child > a, .button-group.radius.stack-for-small > *:last-child > button, .button-group.radius.stack-for-small > *:last-child > .button { + -webkit-border-bottom-right-radius: 3px; + -webkit-border-top-right-radius: 3px; + border-bottom-right-radius: 3px; + border-top-right-radius: 3px; } } + @media only screen and (max-width: 40em) { + .button-group.radius.stack-for-small > * { + margin: 0 -2px; + display: inline-block; + display: block; + margin: 0; } + .button-group.radius.stack-for-small > * > button, .button-group.radius.stack-for-small > * .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.radius.stack-for-small > *:first-child button, .button-group.radius.stack-for-small > *:first-child .button { + border-left: 0; } + .button-group.radius.stack-for-small > * > button, .button-group.radius.stack-for-small > * .button { + border-top: 1px solid; + border-color: rgba(255, 255, 255, 0.5); + border-left-width: 0px; + margin: 0; + display: block; } + .button-group.radius.stack-for-small > *:first-child button, .button-group.radius.stack-for-small > *:first-child .button { + border-top: 0; } + .button-group.radius.stack-for-small > *, .button-group.radius.stack-for-small > * > a, .button-group.radius.stack-for-small > * > button, .button-group.radius.stack-for-small > * > .button { + border-radius: 0; } + .button-group.radius.stack-for-small > *:first-child, .button-group.radius.stack-for-small > *:first-child > a, .button-group.radius.stack-for-small > *:first-child > button, .button-group.radius.stack-for-small > *:first-child > .button { + -webkit-top-left-radius: 3px; + -webkit-top-right-radius: 3px; + border-top-left-radius: 3px; + border-top-right-radius: 3px; } + .button-group.radius.stack-for-small > *:last-child, .button-group.radius.stack-for-small > *:last-child > a, .button-group.radius.stack-for-small > *:last-child > button, .button-group.radius.stack-for-small > *:last-child > .button { + -webkit-bottom-left-radius: 3px; + -webkit-bottom-right-radius: 3px; + border-bottom-left-radius: 3px; + border-bottom-right-radius: 3px; } } + .button-group.round > * { + margin: 0 -2px; + display: inline-block; } + .button-group.round > * > button, .button-group.round > * .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.round > *:first-child button, .button-group.round > *:first-child .button { + border-left: 0; } + .button-group.round > *, .button-group.round > * > a, .button-group.round > * > button, .button-group.round > * > .button { + border-radius: 0; } + .button-group.round > *:first-child, .button-group.round > *:first-child > a, .button-group.round > *:first-child > button, .button-group.round > *:first-child > .button { + -webkit-border-bottom-left-radius: 1000px; + -webkit-border-top-left-radius: 1000px; + border-bottom-left-radius: 1000px; + border-top-left-radius: 1000px; } + .button-group.round > *:last-child, .button-group.round > *:last-child > a, .button-group.round > *:last-child > button, .button-group.round > *:last-child > .button { + -webkit-border-bottom-right-radius: 1000px; + -webkit-border-top-right-radius: 1000px; + border-bottom-right-radius: 1000px; + border-top-right-radius: 1000px; } + .button-group.round.stack > * { + margin: 0 -2px; + display: inline-block; + display: block; + margin: 0; } + .button-group.round.stack > * > button, .button-group.round.stack > * .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.round.stack > *:first-child button, .button-group.round.stack > *:first-child .button { + border-left: 0; } + .button-group.round.stack > * > button, .button-group.round.stack > * .button { + border-top: 1px solid; + border-color: rgba(255, 255, 255, 0.5); + border-left-width: 0px; + margin: 0; + display: block; } + .button-group.round.stack > *:first-child button, .button-group.round.stack > *:first-child .button { + border-top: 0; } + .button-group.round.stack > *, .button-group.round.stack > * > a, .button-group.round.stack > * > button, .button-group.round.stack > * > .button { + border-radius: 0; } + .button-group.round.stack > *:first-child, .button-group.round.stack > *:first-child > a, .button-group.round.stack > *:first-child > button, .button-group.round.stack > *:first-child > .button { + -webkit-top-left-radius: 1rem; + -webkit-top-right-radius: 1rem; + border-top-left-radius: 1rem; + border-top-right-radius: 1rem; } + .button-group.round.stack > *:last-child, .button-group.round.stack > *:last-child > a, .button-group.round.stack > *:last-child > button, .button-group.round.stack > *:last-child > .button { + -webkit-bottom-left-radius: 1rem; + -webkit-bottom-right-radius: 1rem; + border-bottom-left-radius: 1rem; + border-bottom-right-radius: 1rem; } + @media only screen and (min-width: 40.063em) { + .button-group.round.stack-for-small > * { + margin: 0 -2px; + display: inline-block; } + .button-group.round.stack-for-small > * > button, .button-group.round.stack-for-small > * .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.round.stack-for-small > *:first-child button, .button-group.round.stack-for-small > *:first-child .button { + border-left: 0; } + .button-group.round.stack-for-small > *, .button-group.round.stack-for-small > * > a, .button-group.round.stack-for-small > * > button, .button-group.round.stack-for-small > * > .button { + border-radius: 0; } + .button-group.round.stack-for-small > *:first-child, .button-group.round.stack-for-small > *:first-child > a, .button-group.round.stack-for-small > *:first-child > button, .button-group.round.stack-for-small > *:first-child > .button { + -webkit-border-bottom-left-radius: 1000px; + -webkit-border-top-left-radius: 1000px; + border-bottom-left-radius: 1000px; + border-top-left-radius: 1000px; } + .button-group.round.stack-for-small > *:last-child, .button-group.round.stack-for-small > *:last-child > a, .button-group.round.stack-for-small > *:last-child > button, .button-group.round.stack-for-small > *:last-child > .button { + -webkit-border-bottom-right-radius: 1000px; + -webkit-border-top-right-radius: 1000px; + border-bottom-right-radius: 1000px; + border-top-right-radius: 1000px; } } + @media only screen and (max-width: 40em) { + .button-group.round.stack-for-small > * { + margin: 0 -2px; + display: inline-block; + display: block; + margin: 0; } + .button-group.round.stack-for-small > * > button, .button-group.round.stack-for-small > * .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.round.stack-for-small > *:first-child button, .button-group.round.stack-for-small > *:first-child .button { + border-left: 0; } + .button-group.round.stack-for-small > * > button, .button-group.round.stack-for-small > * .button { + border-top: 1px solid; + border-color: rgba(255, 255, 255, 0.5); + border-left-width: 0px; + margin: 0; + display: block; } + .button-group.round.stack-for-small > *:first-child button, .button-group.round.stack-for-small > *:first-child .button { + border-top: 0; } + .button-group.round.stack-for-small > *, .button-group.round.stack-for-small > * > a, .button-group.round.stack-for-small > * > button, .button-group.round.stack-for-small > * > .button { + border-radius: 0; } + .button-group.round.stack-for-small > *:first-child, .button-group.round.stack-for-small > *:first-child > a, .button-group.round.stack-for-small > *:first-child > button, .button-group.round.stack-for-small > *:first-child > .button { + -webkit-top-left-radius: 1rem; + -webkit-top-right-radius: 1rem; + border-top-left-radius: 1rem; + border-top-right-radius: 1rem; } + .button-group.round.stack-for-small > *:last-child, .button-group.round.stack-for-small > *:last-child > a, .button-group.round.stack-for-small > *:last-child > button, .button-group.round.stack-for-small > *:last-child > .button { + -webkit-bottom-left-radius: 1rem; + -webkit-bottom-right-radius: 1rem; + border-bottom-left-radius: 1rem; + border-bottom-right-radius: 1rem; } } + .button-group.even-2 li { + margin: 0 -2px; + display: inline-block; + width: 50%; } + .button-group.even-2 li > button, .button-group.even-2 li .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.even-2 li:first-child button, .button-group.even-2 li:first-child .button { + border-left: 0; } + .button-group.even-2 li button, .button-group.even-2 li .button { + width: 100%; } + .button-group.even-3 li { + margin: 0 -2px; + display: inline-block; + width: 33.33333%; } + .button-group.even-3 li > button, .button-group.even-3 li .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.even-3 li:first-child button, .button-group.even-3 li:first-child .button { + border-left: 0; } + .button-group.even-3 li button, .button-group.even-3 li .button { + width: 100%; } + .button-group.even-4 li { + margin: 0 -2px; + display: inline-block; + width: 25%; } + .button-group.even-4 li > button, .button-group.even-4 li .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.even-4 li:first-child button, .button-group.even-4 li:first-child .button { + border-left: 0; } + .button-group.even-4 li button, .button-group.even-4 li .button { + width: 100%; } + .button-group.even-5 li { + margin: 0 -2px; + display: inline-block; + width: 20%; } + .button-group.even-5 li > button, .button-group.even-5 li .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.even-5 li:first-child button, .button-group.even-5 li:first-child .button { + border-left: 0; } + .button-group.even-5 li button, .button-group.even-5 li .button { + width: 100%; } + .button-group.even-6 li { + margin: 0 -2px; + display: inline-block; + width: 16.66667%; } + .button-group.even-6 li > button, .button-group.even-6 li .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.even-6 li:first-child button, .button-group.even-6 li:first-child .button { + border-left: 0; } + .button-group.even-6 li button, .button-group.even-6 li .button { + width: 100%; } + .button-group.even-7 li { + margin: 0 -2px; + display: inline-block; + width: 14.28571%; } + .button-group.even-7 li > button, .button-group.even-7 li .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.even-7 li:first-child button, .button-group.even-7 li:first-child .button { + border-left: 0; } + .button-group.even-7 li button, .button-group.even-7 li .button { + width: 100%; } + .button-group.even-8 li { + margin: 0 -2px; + display: inline-block; + width: 12.5%; } + .button-group.even-8 li > button, .button-group.even-8 li .button { + border-left: 1px solid; + border-color: rgba(255, 255, 255, 0.5); } + .button-group.even-8 li:first-child button, .button-group.even-8 li:first-child .button { + border-left: 0; } + .button-group.even-8 li button, .button-group.even-8 li .button { + width: 100%; } + +.button-bar:before, .button-bar:after { + content: " "; + display: table; } +.button-bar:after { + clear: both; } +.button-bar .button-group { + float: left; + margin-right: 0.625rem; } + .button-bar .button-group div { + overflow: hidden; } + +/* Panels */ +.panel { + border-style: solid; + border-width: 1px; + border-color: #d8d8d8; + margin-bottom: 1.25rem; + padding: 1.25rem; + background: #f2f2f2; + color: #333333; } + .panel > :first-child { + margin-top: 0; } + .panel > :last-child { + margin-bottom: 0; } + .panel h1, .panel h2, .panel h3, .panel h4, .panel h5, .panel h6, .panel p, .panel li, .panel dl { + color: #333333; } + .panel h1, .panel h2, .panel h3, .panel h4, .panel h5, .panel h6 { + line-height: 1; + margin-bottom: 0.625rem; } + .panel h1.subheader, .panel h2.subheader, .panel h3.subheader, .panel h4.subheader, .panel h5.subheader, .panel h6.subheader { + line-height: 1.4; } + .panel.callout { + border-style: solid; + border-width: 1px; + border-color: #b6edff; + margin-bottom: 1.25rem; + padding: 1.25rem; + background: #ecfaff; + color: #333333; } + .panel.callout > :first-child { + margin-top: 0; } + .panel.callout > :last-child { + margin-bottom: 0; } + .panel.callout h1, .panel.callout h2, .panel.callout h3, .panel.callout h4, .panel.callout h5, .panel.callout h6, .panel.callout p, .panel.callout li, .panel.callout dl { + color: #333333; } + .panel.callout h1, .panel.callout h2, .panel.callout h3, .panel.callout h4, .panel.callout h5, .panel.callout h6 { + line-height: 1; + margin-bottom: 0.625rem; } + .panel.callout h1.subheader, .panel.callout h2.subheader, .panel.callout h3.subheader, .panel.callout h4.subheader, .panel.callout h5.subheader, .panel.callout h6.subheader { + line-height: 1.4; } + .panel.callout a:not(.button) { + color: #008cba; } + .panel.radius { + border-radius: 3px; } + +.dropdown.button, button.dropdown { + position: relative; + outline: none; + padding-right: 3.5625rem; } + .dropdown.button::after, button.dropdown::after { + position: absolute; + content: ""; + width: 0; + height: 0; + display: block; + border-style: solid; + border-color: white transparent transparent transparent; + top: 50%; } + .dropdown.button::after, button.dropdown::after { + border-width: 0.375rem; + right: 1.40625rem; + margin-top: -0.15625rem; } + .dropdown.button::after, button.dropdown::after { + border-color: white transparent transparent transparent; } + .dropdown.button.tiny, button.dropdown.tiny { + padding-right: 2.625rem; } + .dropdown.button.tiny:after, button.dropdown.tiny:after { + border-width: 0.375rem; + right: 1.125rem; + margin-top: -0.125rem; } + .dropdown.button.tiny::after, button.dropdown.tiny::after { + border-color: white transparent transparent transparent; } + .dropdown.button.small, button.dropdown.small { + padding-right: 3.0625rem; } + .dropdown.button.small::after, button.dropdown.small::after { + border-width: 0.4375rem; + right: 1.3125rem; + margin-top: -0.15625rem; } + .dropdown.button.small::after, button.dropdown.small::after { + border-color: white transparent transparent transparent; } + .dropdown.button.large, button.dropdown.large { + padding-right: 3.625rem; } + .dropdown.button.large::after, button.dropdown.large::after { + border-width: 0.3125rem; + right: 1.71875rem; + margin-top: -0.15625rem; } + .dropdown.button.large::after, button.dropdown.large::after { + border-color: white transparent transparent transparent; } + .dropdown.button.secondary:after, button.dropdown.secondary:after { + border-color: #333333 transparent transparent transparent; } + +/* Image Thumbnails */ +.th { + line-height: 0; + display: inline-block; + border: solid 4px white; + max-width: 100%; + box-shadow: 0 0 0 1px rgba(0, 0, 0, 0.2); + transition: all 200ms ease-out; } + .th:hover, .th:focus { + box-shadow: 0 0 6px 1px rgba(0, 140, 186, 0.5); } + .th.radius { + border-radius: 3px; } + +.toolbar { + background: #333333; + width: 100%; + font-size: 0; + display: inline-block; } + .toolbar.label-bottom .tab .tab-content i, .toolbar.label-bottom .tab .tab-content img { + margin-bottom: 10px; } + .toolbar.label-right .tab .tab-content i, .toolbar.label-right .tab .tab-content img { + margin-right: 10px; + display: inline-block; } + .toolbar.label-right .tab .tab-content label { + display: inline-block; } + .toolbar.vertical.label-right .tab .tab-content { + text-align: left; } + .toolbar.vertical { + height: 100%; + width: auto; } + .toolbar.vertical .tab { + width: auto; + margin: auto; + float: none; } + .toolbar .tab { + text-align: center; + width: 25%; + margin: 0 auto; + display: block; + padding: 20px; + float: left; } + .toolbar .tab:hover { + background: rgba(255, 255, 255, 0.1); } + +.toolbar .tab-content { + font-size: 16px; + text-align: center; } + .toolbar .tab-content label { + color: #cccccc; } + .toolbar .tab-content i { + font-size: 30px; + display: block; + margin: 0 auto; + color: #cccccc; + vertical-align: middle; } + .toolbar .tab-content img { + width: 30px; + height: 30px; + display: block; + margin: 0 auto; } + +/* Pricing Tables */ +.pricing-table { + border: solid 1px #dddddd; + margin-left: 0; + margin-bottom: 1.25rem; } + .pricing-table * { + list-style: none; + line-height: 1; } + .pricing-table .title { + background-color: #333333; + padding: 0.9375rem 1.25rem; + text-align: center; + color: #eeeeee; + font-weight: normal; + font-size: 1rem; + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; } + .pricing-table .price { + background-color: #f6f6f6; + padding: 0.9375rem 1.25rem; + text-align: center; + color: #333333; + font-weight: normal; + font-size: 2rem; + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; } + .pricing-table .description { + background-color: white; + padding: 0.9375rem; + text-align: center; + color: #777777; + font-size: 0.75rem; + font-weight: normal; + line-height: 1.4; + border-bottom: dotted 1px #dddddd; } + .pricing-table .bullet-item { + background-color: white; + padding: 0.9375rem; + text-align: center; + color: #333333; + font-size: 0.875rem; + font-weight: normal; + border-bottom: dotted 1px #dddddd; } + .pricing-table .cta-button { + background-color: white; + text-align: center; + padding: 1.25rem 1.25rem 0; } + +@-webkit-keyframes rotate { + from { + -webkit-transform: rotate(0deg); } + + to { + -webkit-transform: rotate(360deg); } } + +@-moz-keyframes rotate { + from { + -moz-transform: rotate(0deg); } + + to { + -moz-transform: rotate(360deg); } } + +@-o-keyframes rotate { + from { + -o-transform: rotate(0deg); } + + to { + -o-transform: rotate(360deg); } } + +@keyframes rotate { + from { + transform: rotate(0deg); } + + to { + transform: rotate(360deg); } } + +/* Orbit Graceful Loading */ +.slideshow-wrapper { + position: relative; } + .slideshow-wrapper ul { + list-style-type: none; + margin: 0; } + .slideshow-wrapper ul li, + .slideshow-wrapper ul li .orbit-caption { + display: none; } + .slideshow-wrapper ul li:first-child { + display: block; } + .slideshow-wrapper .orbit-container { + background-color: transparent; } + .slideshow-wrapper .orbit-container li { + display: block; } + .slideshow-wrapper .orbit-container li .orbit-caption { + display: block; } + .slideshow-wrapper .orbit-container .orbit-bullets li { + display: inline-block; } + .slideshow-wrapper .preloader { + display: block; + width: 40px; + height: 40px; + position: absolute; + top: 50%; + left: 50%; + margin-top: -20px; + margin-left: -20px; + border: solid 3px; + border-color: #555555 white; + border-radius: 1000px; + animation-name: rotate; + animation-duration: 1.5s; + animation-iteration-count: infinite; + animation-timing-function: linear; } + +.orbit-container { + overflow: hidden; + width: 100%; + position: relative; + background: none; } + .orbit-container .orbit-slides-container { + list-style: none; + margin: 0; + padding: 0; + position: relative; + -webkit-transform: translateZ(0); } + .orbit-container .orbit-slides-container img { + display: block; + max-width: 100%; } + .orbit-container .orbit-slides-container > * { + position: absolute; + top: 0; + width: 100%; + margin-left: 100%; } + .orbit-container .orbit-slides-container > *:first-child { + margin-left: 0%; } + .orbit-container .orbit-slides-container > * .orbit-caption { + position: absolute; + bottom: 0; + background-color: rgba(51, 51, 51, 0.8); + color: white; + width: 100%; + padding: 0.625rem 0.875rem; + font-size: 0.875rem; } + .orbit-container .orbit-slide-number { + position: absolute; + top: 10px; + left: 10px; + font-size: 12px; + color: white; + background: rgba(0, 0, 0, 0); + z-index: 10; } + .orbit-container .orbit-slide-number span { + font-weight: 700; + padding: 0.3125rem; } + .orbit-container .orbit-timer { + position: absolute; + top: 12px; + right: 10px; + height: 6px; + width: 100px; + z-index: 10; } + .orbit-container .orbit-timer .orbit-progress { + height: 3px; + background-color: rgba(255, 255, 255, 0.3); + display: block; + width: 0%; + position: relative; + right: 20px; + top: 5px; } + .orbit-container .orbit-timer > span { + display: none; + position: absolute; + top: 0px; + right: 0; + width: 11px; + height: 14px; + border: solid 4px white; + border-top: none; + border-bottom: none; } + .orbit-container .orbit-timer.paused > span { + right: -4px; + top: 0px; + width: 11px; + height: 14px; + border: inset 8px; + border-left-style: solid; + border-color: transparent; + border-left-color: white; } + .orbit-container .orbit-timer.paused > span.dark { + border-left-color: #333333; } + .orbit-container:hover .orbit-timer > span { + display: block; } + .orbit-container .orbit-prev, + .orbit-container .orbit-next { + position: absolute; + top: 45%; + margin-top: -25px; + width: 36px; + height: 60px; + line-height: 50px; + color: white; + background-color: transparent; + text-indent: -9999px !important; + z-index: 10; } + .orbit-container .orbit-prev:hover, + .orbit-container .orbit-next:hover { + background-color: rgba(0, 0, 0, 0.3); } + .orbit-container .orbit-prev > span, + .orbit-container .orbit-next > span { + position: absolute; + top: 50%; + margin-top: -10px; + display: block; + width: 0; + height: 0; + border: inset 10px; } + .orbit-container .orbit-prev { + left: 0; } + .orbit-container .orbit-prev > span { + border-right-style: solid; + border-color: transparent; + border-right-color: white; } + .orbit-container .orbit-prev:hover > span { + border-right-color: white; } + .orbit-container .orbit-next { + right: 0; } + .orbit-container .orbit-next > span { + border-color: transparent; + border-left-style: solid; + border-left-color: white; + left: 50%; + margin-left: -4px; } + .orbit-container .orbit-next:hover > span { + border-left-color: white; } + +.orbit-bullets-container { + text-align: center; } + +.orbit-bullets { + margin: 0 auto 30px auto; + overflow: hidden; + position: relative; + top: 10px; + float: none; + text-align: center; + display: block; } + .orbit-bullets li { + cursor: pointer; + display: inline-block; + width: 0.5625rem; + height: 0.5625rem; + background: #cccccc; + float: none; + margin-right: 6px; + border-radius: 1000px; } + .orbit-bullets li.active { + background: #999999; } + .orbit-bullets li:last-child { + margin-right: 0; } + +.touch .orbit-container .orbit-prev, +.touch .orbit-container .orbit-next { + display: none; } +.touch .orbit-bullets { + display: none; } + +@media only screen and (min-width: 40.063em) { + .touch .orbit-container .orbit-prev, + .touch .orbit-container .orbit-next { + display: inherit; } + .touch .orbit-bullets { + display: block; } } +@media only screen and (max-width: 40em) { + .orbit-stack-on-small .orbit-slides-container { + height: auto !important; } + .orbit-stack-on-small .orbit-slides-container > * { + position: relative; + margin: 0% !important; + opacity: 1 !important; } + .orbit-stack-on-small .orbit-slide-number { + display: none; } + + .orbit-timer { + display: none; } + + .orbit-next, .orbit-prev { + display: none; } + + .orbit-bullets { + display: none; } } +[data-magellan-expedition], [data-magellan-expedition-clone] { + background: white; + z-index: 50; + min-width: 100%; + padding: 10px; } + [data-magellan-expedition] .sub-nav, [data-magellan-expedition-clone] .sub-nav { + margin-bottom: 0; } + [data-magellan-expedition] .sub-nav dd, [data-magellan-expedition-clone] .sub-nav dd { + margin-bottom: 0; } + [data-magellan-expedition] .sub-nav a, [data-magellan-expedition-clone] .sub-nav a { + line-height: 1.8em; } + +.icon-bar { + width: 100%; + font-size: 0; + display: inline-block; + background: #333333; } + .icon-bar > * { + text-align: center; + font-size: 1rem; + width: 25%; + margin: 0 auto; + display: block; + padding: 1.25rem; + float: left; } + .icon-bar > * i, .icon-bar > * img { + display: block; + margin: 0 auto; } + .icon-bar > * i + label, .icon-bar > * img + label { + margin-top: .0625rem; } + .icon-bar > * i { + font-size: 1.875rem; + vertical-align: middle; } + .icon-bar > * img { + width: 1.875rem; + height: 1.875rem; } + .icon-bar.label-right > * i, .icon-bar.label-right > * img { + margin: 0 .0625rem 0 0; + display: inline-block; } + .icon-bar.label-right > * i + label, .icon-bar.label-right > * img + label { + margin-top: 0; } + .icon-bar.label-right > * label { + display: inline-block; } + .icon-bar.vertical.label-right > * { + text-align: left; } + .icon-bar.vertical, .icon-bar.small-vertical { + height: 100%; + width: auto; } + .icon-bar.vertical .item, .icon-bar.small-vertical .item { + width: auto; + margin: auto; + float: none; } + @media only screen and (min-width: 40.063em) { + .icon-bar.medium-vertical { + height: 100%; + width: auto; } + .icon-bar.medium-vertical .item { + width: auto; + margin: auto; + float: none; } } + @media only screen and (min-width: 64.063em) { + .icon-bar.large-vertical { + height: 100%; + width: auto; } + .icon-bar.large-vertical .item { + width: auto; + margin: auto; + float: none; } } + .icon-bar > * { + font-size: 1rem; + padding: 1.25rem; } + .icon-bar > * i + label, .icon-bar > * img + label { + margin-top: .0625rem; } + .icon-bar > * i { + font-size: 1.875rem; } + .icon-bar > * img { + width: 1.875rem; + height: 1.875rem; } + .icon-bar > *:hover { + background: #008cba; } + .icon-bar > * label { + color: white; } + .icon-bar > * i { + color: white; } + +.icon-bar.two-up .item { + width: 50%; } +.icon-bar.two-up.vertical .item, .icon-bar.two-up.small-vertical .item { + width: auto; } +@media only screen and (min-width: 40.063em) { + .icon-bar.two-up.medium-vertical .item { + width: auto; } } +@media only screen and (min-width: 64.063em) { + .icon-bar.two-up.large-vertical .item { + width: auto; } } +.icon-bar.three-up .item { + width: 33.3333%; } +.icon-bar.three-up.vertical .item, .icon-bar.three-up.small-vertical .item { + width: auto; } +@media only screen and (min-width: 40.063em) { + .icon-bar.three-up.medium-vertical .item { + width: auto; } } +@media only screen and (min-width: 64.063em) { + .icon-bar.three-up.large-vertical .item { + width: auto; } } +.icon-bar.four-up .item { + width: 25%; } +.icon-bar.four-up.vertical .item, .icon-bar.four-up.small-vertical .item { + width: auto; } +@media only screen and (min-width: 40.063em) { + .icon-bar.four-up.medium-vertical .item { + width: auto; } } +@media only screen and (min-width: 64.063em) { + .icon-bar.four-up.large-vertical .item { + width: auto; } } +.icon-bar.five-up .item { + width: 20%; } +.icon-bar.five-up.vertical .item, .icon-bar.five-up.small-vertical .item { + width: auto; } +@media only screen and (min-width: 40.063em) { + .icon-bar.five-up.medium-vertical .item { + width: auto; } } +@media only screen and (min-width: 64.063em) { + .icon-bar.five-up.large-vertical .item { + width: auto; } } +.icon-bar.six-up .item { + width: 16.66667%; } +.icon-bar.six-up.vertical .item, .icon-bar.six-up.small-vertical .item { + width: auto; } +@media only screen and (min-width: 40.063em) { + .icon-bar.six-up.medium-vertical .item { + width: auto; } } +@media only screen and (min-width: 64.063em) { + .icon-bar.six-up.large-vertical .item { + width: auto; } } + +.tabs { + margin-bottom: 0 !important; + margin-left: 0; } + .tabs:before, .tabs:after { + content: " "; + display: table; } + .tabs:after { + clear: both; } + .tabs dd, .tabs .tab-title { + position: relative; + margin-bottom: 0 !important; + list-style: none; + float: left; } + .tabs dd > a, .tabs .tab-title > a { + outline: none; + display: block; + background-color: #efefef; + color: #222222; + padding: 1rem 2rem; + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; + font-size: 1rem; } + .tabs dd > a:hover, .tabs .tab-title > a:hover { + background-color: #e1e1e1; } + .tabs dd.active a, .tabs .tab-title.active a { + background-color: white; + color: #222222; } + .tabs.radius dd:first-child a, .tabs.radius .tab:first-child a { + -webkit-border-bottom-left-radius: 3px; + -webkit-border-top-left-radius: 3px; + border-bottom-left-radius: 3px; + border-top-left-radius: 3px; } + .tabs.radius dd:last-child a, .tabs.radius .tab:last-child a { + -webkit-border-bottom-right-radius: 3px; + -webkit-border-top-right-radius: 3px; + border-bottom-right-radius: 3px; + border-top-right-radius: 3px; } + .tabs.vertical dd, .tabs.vertical .tab-title { + position: inherit; + float: none; + display: block; + top: auto; } + +.tabs-content { + margin-bottom: 1.5rem; + width: 100%; } + .tabs-content:before, .tabs-content:after { + content: " "; + display: table; } + .tabs-content:after { + clear: both; } + .tabs-content > .content { + display: none; + float: left; + padding: 0.9375rem 0; + width: 100%; } + .tabs-content > .content.active { + display: block; + float: none; } + .tabs-content > .content.contained { + padding: 0.9375rem; } + .tabs-content.vertical { + display: block; } + .tabs-content.vertical > .content { + padding: 0 0.9375rem; } + +@media only screen and (min-width: 40.063em) { + .tabs.vertical { + width: 20%; + max-width: 20%; + float: left; + margin: 0 0 1.25rem; } + + .tabs-content.vertical { + width: 80%; + max-width: 80%; + float: left; + margin-left: -1px; + padding-left: 1rem; } } +.no-js .tabs-content > .content { + display: block; + float: none; } + +ul.pagination { + display: block; + min-height: 1.5rem; + margin-left: -0.3125rem; } + ul.pagination li { + height: 1.5rem; + color: #222222; + font-size: 0.875rem; + margin-left: 0.3125rem; } + ul.pagination li a, ul.pagination li button { + display: block; + padding: 0.0625rem 0.625rem 0.0625rem; + color: #999999; + background: none; + border-radius: 3px; + font-weight: normal; + font-size: 1em; + line-height: inherit; + transition: background-color 300ms ease-out; } + ul.pagination li:hover a, + ul.pagination li a:focus, ul.pagination li:hover button, + ul.pagination li button:focus { + background: #e6e6e6; } + ul.pagination li.unavailable a, ul.pagination li.unavailable button { + cursor: default; + color: #999999; } + ul.pagination li.unavailable:hover a, ul.pagination li.unavailable a:focus, ul.pagination li.unavailable:hover button, ul.pagination li.unavailable button:focus { + background: transparent; } + ul.pagination li.current a, ul.pagination li.current button { + background: #008cba; + color: white; + font-weight: bold; + cursor: default; } + ul.pagination li.current a:hover, ul.pagination li.current a:focus, ul.pagination li.current button:hover, ul.pagination li.current button:focus { + background: #008cba; } + ul.pagination li { + float: left; + display: block; } + +/* Pagination centred wrapper */ +.pagination-centered { + text-align: center; } + .pagination-centered ul.pagination li { + float: none; + display: inline-block; } + +.side-nav { + display: block; + margin: 0; + padding: 0.875rem 0; + list-style-type: none; + list-style-position: outside; + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; } + .side-nav li { + margin: 0 0 0.4375rem 0; + font-size: 0.875rem; + font-weight: normal; } + .side-nav li a:not(.button) { + display: block; + color: #008cba; + margin: 0; + padding: 0.4375rem 0.875rem; } + .side-nav li a:not(.button):hover, .side-nav li a:not(.button):focus { + background: rgba(0, 0, 0, 0.025); + color: #1cc7ff; } + .side-nav li.active > a:first-child:not(.button) { + color: #1cc7ff; + font-weight: normal; + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; } + .side-nav li.divider { + border-top: 1px solid; + height: 0; + padding: 0; + list-style: none; + border-top-color: white; } + .side-nav li.heading { + color: #008cba; + font-size: 0.875rem; + font-weight: bold; + text-transform: uppercase; } + +.accordion { + margin-bottom: 0; } + .accordion:before, .accordion:after { + content: " "; + display: table; } + .accordion:after { + clear: both; } + .accordion .accordion-navigation, .accordion dd { + display: block; + margin-bottom: 0 !important; } + .accordion .accordion-navigation.active > a, .accordion dd.active > a { + background: #e8e8e8; } + .accordion .accordion-navigation > a, .accordion dd > a { + background: #efefef; + color: #222222; + padding: 1rem; + display: block; + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; + font-size: 1rem; } + .accordion .accordion-navigation > a:hover, .accordion dd > a:hover { + background: #e3e3e3; } + .accordion .accordion-navigation > .content, .accordion dd > .content { + display: none; + padding: 0.9375rem; } + .accordion .accordion-navigation > .content.active, .accordion dd > .content.active { + display: block; + background: white; } + +.text-left { + text-align: left !important; } + +.text-right { + text-align: right !important; } + +.text-center { + text-align: center !important; } + +.text-justify { + text-align: justify !important; } + +@media only screen and (max-width: 40em) { + .small-only-text-left { + text-align: left !important; } + + .small-only-text-right { + text-align: right !important; } + + .small-only-text-center { + text-align: center !important; } + + .small-only-text-justify { + text-align: justify !important; } } +@media only screen { + .small-text-left { + text-align: left !important; } + + .small-text-right { + text-align: right !important; } + + .small-text-center { + text-align: center !important; } + + .small-text-justify { + text-align: justify !important; } } +@media only screen and (min-width: 40.063em) and (max-width: 64em) { + .medium-only-text-left { + text-align: left !important; } + + .medium-only-text-right { + text-align: right !important; } + + .medium-only-text-center { + text-align: center !important; } + + .medium-only-text-justify { + text-align: justify !important; } } +@media only screen and (min-width: 40.063em) { + .medium-text-left { + text-align: left !important; } + + .medium-text-right { + text-align: right !important; } + + .medium-text-center { + text-align: center !important; } + + .medium-text-justify { + text-align: justify !important; } } +@media only screen and (min-width: 64.063em) and (max-width: 90em) { + .large-only-text-left { + text-align: left !important; } + + .large-only-text-right { + text-align: right !important; } + + .large-only-text-center { + text-align: center !important; } + + .large-only-text-justify { + text-align: justify !important; } } +@media only screen and (min-width: 64.063em) { + .large-text-left { + text-align: left !important; } + + .large-text-right { + text-align: right !important; } + + .large-text-center { + text-align: center !important; } + + .large-text-justify { + text-align: justify !important; } } +@media only screen and (min-width: 90.063em) and (max-width: 120em) { + .xlarge-only-text-left { + text-align: left !important; } + + .xlarge-only-text-right { + text-align: right !important; } + + .xlarge-only-text-center { + text-align: center !important; } + + .xlarge-only-text-justify { + text-align: justify !important; } } +@media only screen and (min-width: 90.063em) { + .xlarge-text-left { + text-align: left !important; } + + .xlarge-text-right { + text-align: right !important; } + + .xlarge-text-center { + text-align: center !important; } + + .xlarge-text-justify { + text-align: justify !important; } } +@media only screen and (min-width: 120.063em) and (max-width: 99999999em) { + .xxlarge-only-text-left { + text-align: left !important; } + + .xxlarge-only-text-right { + text-align: right !important; } + + .xxlarge-only-text-center { + text-align: center !important; } + + .xxlarge-only-text-justify { + text-align: justify !important; } } +@media only screen and (min-width: 120.063em) { + .xxlarge-text-left { + text-align: left !important; } + + .xxlarge-text-right { + text-align: right !important; } + + .xxlarge-text-center { + text-align: center !important; } + + .xxlarge-text-justify { + text-align: justify !important; } } +/* Typography resets */ +div, +dl, +dt, +dd, +ul, +ol, +li, +h1, +h2, +h3, +h4, +h5, +h6, +pre, +form, +p, +blockquote, +th, +td { + margin: 0; + padding: 0; } + +/* Default Link Styles */ +a { + color: #008cba; + text-decoration: none; + line-height: inherit; } + a:hover, a:focus { + color: #0078a0; } + a img { + border: none; } + +/* Default paragraph styles */ +p { + font-family: inherit; + font-weight: normal; + font-size: 1rem; + line-height: 1.6; + margin-bottom: 1.25rem; + text-rendering: optimizeLegibility; } + p.lead { + font-size: 1.21875rem; + line-height: 1.6; } + p aside { + font-size: 0.875rem; + line-height: 1.35; + font-style: italic; } + +/* Default header styles */ +h1, h2, h3, h4, h5, h6 { + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; + font-weight: normal; + font-style: normal; + color: #222222; + text-rendering: optimizeLegibility; + margin-top: 0.2rem; + margin-bottom: 0.5rem; + line-height: 1.4; } + h1 small, h2 small, h3 small, h4 small, h5 small, h6 small { + font-size: 60%; + color: #6f6f6f; + line-height: 0; } + +h1 { + font-size: 2.125rem; } + +h2 { + font-size: 1.6875rem; } + +h3 { + font-size: 1.375rem; } + +h4 { + font-size: 1.125rem; } + +h5 { + font-size: 1.125rem; } + +h6 { + font-size: 1rem; } + +.subheader { + line-height: 1.4; + color: #6f6f6f; + font-weight: normal; + margin-top: 0.2rem; + margin-bottom: 0.5rem; } + +hr { + border: solid #dddddd; + border-width: 1px 0 0; + clear: both; + margin: 1.25rem 0 1.1875rem; + height: 0; } + +/* Helpful Typography Defaults */ +em, +i { + font-style: italic; + line-height: inherit; } + +strong, +b { + font-weight: bold; + line-height: inherit; } + +small { + font-size: 60%; + line-height: inherit; } + +code { + font-family: Consolas, "Liberation Mono", Courier, monospace; + font-weight: normal; + color: #333333; + background-color: #f8f8f8; + border-width: 1px; + border-style: solid; + border-color: #dfdfdf; + padding: 0.125rem 0.3125rem 0.0625rem; } + +/* Lists */ +ul, +ol, +dl { + font-size: 1rem; + line-height: 1.6; + margin-bottom: 1.25rem; + list-style-position: outside; + font-family: inherit; } + +ul { + margin-left: 1.1rem; } + ul.no-bullet { + margin-left: 0; } + ul.no-bullet li ul, + ul.no-bullet li ol { + margin-left: 1.25rem; + margin-bottom: 0; + list-style: none; } + +/* Unordered Lists */ +ul li ul, +ul li ol { + margin-left: 1.25rem; + margin-bottom: 0; } +ul.square li ul, ul.circle li ul, ul.disc li ul { + list-style: inherit; } +ul.square { + list-style-type: square; + margin-left: 1.1rem; } +ul.circle { + list-style-type: circle; + margin-left: 1.1rem; } +ul.disc { + list-style-type: disc; + margin-left: 1.1rem; } +ul.no-bullet { + list-style: none; } + +/* Ordered Lists */ +ol { + margin-left: 1.4rem; } + ol li ul, + ol li ol { + margin-left: 1.25rem; + margin-bottom: 0; } + +/* Definition Lists */ +dl dt { + margin-bottom: 0.3rem; + font-weight: bold; } +dl dd { + margin-bottom: 0.75rem; } + +/* Abbreviations */ +abbr, +acronym { + text-transform: uppercase; + font-size: 90%; + color: #222222; + cursor: help; } + +abbr { + text-transform: none; } + abbr[title] { + border-bottom: 1px dotted #dddddd; } + +/* Blockquotes */ +blockquote { + margin: 0 0 1.25rem; + padding: 0.5625rem 1.25rem 0 1.1875rem; + border-left: 1px solid #dddddd; } + blockquote cite { + display: block; + font-size: 0.8125rem; + color: #555555; } + blockquote cite:before { + content: "\2014 \0020"; } + blockquote cite a, + blockquote cite a:visited { + color: #555555; } + +blockquote, +blockquote p { + line-height: 1.6; + color: #6f6f6f; } + +/* Microformats */ +.vcard { + display: inline-block; + margin: 0 0 1.25rem 0; + border: 1px solid #dddddd; + padding: 0.625rem 0.75rem; } + .vcard li { + margin: 0; + display: block; } + .vcard .fn { + font-weight: bold; + font-size: 0.9375rem; } + +.vevent .summary { + font-weight: bold; } +.vevent abbr { + cursor: default; + text-decoration: none; + font-weight: bold; + border: none; + padding: 0 0.0625rem; } + +@media only screen and (min-width: 40.063em) { + h1, h2, h3, h4, h5, h6 { + line-height: 1.4; } + + h1 { + font-size: 2.75rem; } + + h2 { + font-size: 2.3125rem; } + + h3 { + font-size: 1.6875rem; } + + h4 { + font-size: 1.4375rem; } + + h5 { + font-size: 1.125rem; } + + h6 { + font-size: 1rem; } } +/* + * Print styles. + * + * Inlined to avoid required HTTP connection: www.phpied.com/delay-loading-your-print-css/ + * Credit to Paul Irish and HTML5 Boilerplate (html5boilerplate.com) +*/ +.print-only { + display: none !important; } + +@media print { + * { + background: transparent !important; + color: black !important; + /* Black prints faster: h5bp.com/s */ + box-shadow: none !important; + text-shadow: none !important; } + + a, + a:visited { + text-decoration: underline; } + + a[href]:after { + content: " (" attr(href) ")"; } + + abbr[title]:after { + content: " (" attr(title) ")"; } + + .ir a:after, + a[href^="javascript:"]:after, + a[href^="#"]:after { + content: ""; } + + pre, + blockquote { + border: 1px solid #999999; + page-break-inside: avoid; } + + thead { + display: table-header-group; + /* h5bp.com/t */ } + + tr, + img { + page-break-inside: avoid; } + + img { + max-width: 100% !important; } + + @page { + margin: 0.5cm; } + + p, + h2, + h3 { + orphans: 3; + widows: 3; } + + h2, + h3 { + page-break-after: avoid; } + + .hide-on-print { + display: none !important; } + + .print-only { + display: block !important; } + + .hide-for-print { + display: none !important; } + + .show-for-print { + display: inherit !important; } } +.split.button { + position: relative; + padding-right: 5.0625rem; } + .split.button span { + display: block; + height: 100%; + position: absolute; + right: 0; + top: 0; + border-left: solid 1px; } + .split.button span:after { + position: absolute; + content: ""; + width: 0; + height: 0; + display: block; + border-style: inset; + top: 50%; + left: 50%; } + .split.button span:active { + background-color: rgba(0, 0, 0, 0.1); } + .split.button span { + border-left-color: rgba(255, 255, 255, 0.5); } + .split.button span { + width: 3.09375rem; } + .split.button span:after { + border-top-style: solid; + border-width: 0.375rem; + top: 48%; + margin-left: -0.375rem; } + .split.button span:after { + border-color: white transparent transparent transparent; } + .split.button.secondary span { + border-left-color: rgba(255, 255, 255, 0.5); } + .split.button.secondary span:after { + border-color: white transparent transparent transparent; } + .split.button.alert span { + border-left-color: rgba(255, 255, 255, 0.5); } + .split.button.success span { + border-left-color: rgba(255, 255, 255, 0.5); } + .split.button.tiny { + padding-right: 3.75rem; } + .split.button.tiny span { + width: 2.25rem; } + .split.button.tiny span:after { + border-top-style: solid; + border-width: 0.375rem; + top: 48%; + margin-left: -0.375rem; } + .split.button.small { + padding-right: 4.375rem; } + .split.button.small span { + width: 2.625rem; } + .split.button.small span:after { + border-top-style: solid; + border-width: 0.4375rem; + top: 48%; + margin-left: -0.375rem; } + .split.button.large { + padding-right: 5.5rem; } + .split.button.large span { + width: 3.4375rem; } + .split.button.large span:after { + border-top-style: solid; + border-width: 0.3125rem; + top: 48%; + margin-left: -0.375rem; } + .split.button.expand { + padding-left: 2rem; } + .split.button.secondary span:after { + border-color: #333333 transparent transparent transparent; } + .split.button.radius span { + -webkit-border-bottom-right-radius: 3px; + -webkit-border-top-right-radius: 3px; + border-bottom-right-radius: 3px; + border-top-right-radius: 3px; } + .split.button.round span { + -webkit-border-bottom-right-radius: 1000px; + -webkit-border-top-right-radius: 1000px; + border-bottom-right-radius: 1000px; + border-top-right-radius: 1000px; } + +.reveal-modal-bg { + position: fixed; + top: 0; + bottom: 0; + left: 0; + right: 0; + background: black; + background: rgba(0, 0, 0, 0.45); + z-index: 1004; + display: none; + left: 0; } + +.reveal-modal, dialog { + visibility: hidden; + display: none; + position: absolute; + z-index: 1005; + width: 100vw; + top: 0; + border-radius: 3px; + left: 0; + background-color: white; + padding: 1.25rem; + border: solid 1px #666666; + box-shadow: 0 0 10px rgba(0, 0, 0, 0.4); + padding: 1.875rem; } + @media only screen and (max-width: 40em) { + .reveal-modal, dialog { + min-height: 100vh; } } + .reveal-modal .column, dialog .column, .reveal-modal .columns, dialog .columns { + min-width: 0; } + .reveal-modal > :first-child, dialog > :first-child { + margin-top: 0; } + .reveal-modal > :last-child, dialog > :last-child { + margin-bottom: 0; } + @media only screen and (min-width: 40.063em) { + .reveal-modal, dialog { + width: 80%; + max-width: 62.5rem; + left: 0; + right: 0; + margin: 0 auto; } } + @media only screen and (min-width: 40.063em) { + .reveal-modal, dialog { + top: 6.25rem; } } + .reveal-modal.radius, dialog.radius { + border-radius: 3px; } + .reveal-modal.round, dialog.round { + border-radius: 1000px; } + .reveal-modal.collapse, dialog.collapse { + padding: 0; } + @media only screen and (min-width: 40.063em) { + .reveal-modal.tiny, dialog.tiny { + width: 30%; + max-width: 62.5rem; + left: 0; + right: 0; + margin: 0 auto; } } + @media only screen and (min-width: 40.063em) { + .reveal-modal.small, dialog.small { + width: 40%; + max-width: 62.5rem; + left: 0; + right: 0; + margin: 0 auto; } } + @media only screen and (min-width: 40.063em) { + .reveal-modal.medium, dialog.medium { + width: 60%; + max-width: 62.5rem; + left: 0; + right: 0; + margin: 0 auto; } } + @media only screen and (min-width: 40.063em) { + .reveal-modal.large, dialog.large { + width: 70%; + max-width: 62.5rem; + left: 0; + right: 0; + margin: 0 auto; } } + @media only screen and (min-width: 40.063em) { + .reveal-modal.xlarge, dialog.xlarge { + width: 95%; + max-width: 62.5rem; + left: 0; + right: 0; + margin: 0 auto; } } + .reveal-modal.full, dialog.full { + top: 0; + left: 0; + height: 100%; + height: 100vh; + min-height: 100vh; + max-width: none !important; + margin-left: 0 !important; } + @media only screen and (min-width: 40.063em) { + .reveal-modal.full, dialog.full { + width: 100vw; + max-width: 62.5rem; + left: 0; + right: 0; + margin: 0 auto; } } + .reveal-modal .close-reveal-modal, dialog .close-reveal-modal { + font-size: 2.5rem; + line-height: 1; + position: absolute; + top: 0.5rem; + right: 0.6875rem; + color: #aaaaaa; + font-weight: bold; + cursor: pointer; } + +dialog { + display: none; } + dialog::backdrop, dialog + .backdrop { + position: fixed; + top: 0; + bottom: 0; + left: 0; + right: 0; + background: black; + background: rgba(0, 0, 0, 0.45); + z-index: auto; + display: none; + left: 0; } + dialog[open] { + display: block; } + +@media print { + dialog, .reveal-modal, dialog { + display: none; + background: white !important; } } +/* Tooltips */ +.has-tip { + border-bottom: dotted 1px #cccccc; + cursor: help; + font-weight: bold; + color: #333333; } + .has-tip:hover, .has-tip:focus { + border-bottom: dotted 1px #003f54; + color: #008cba; } + .has-tip.tip-left, .has-tip.tip-right { + float: none !important; } + +.tooltip { + display: none; + position: absolute; + z-index: 1006; + font-weight: normal; + font-size: 0.875rem; + line-height: 1.3; + padding: 0.75rem; + max-width: 300px; + left: 50%; + width: 100%; + color: white; + background: #333333; } + .tooltip > .nub { + display: block; + left: 5px; + position: absolute; + width: 0; + height: 0; + border: solid 5px; + border-color: transparent transparent #333333 transparent; + top: -10px; + pointer-events: none; } + .tooltip > .nub.rtl { + left: auto; + right: 5px; } + .tooltip.radius { + border-radius: 3px; } + .tooltip.round { + border-radius: 1000px; } + .tooltip.round > .nub { + left: 2rem; } + .tooltip.opened { + color: #008cba !important; + border-bottom: dotted 1px #003f54 !important; } + +.tap-to-close { + display: block; + font-size: 0.625rem; + color: #777777; + font-weight: normal; } + +@media only screen and (min-width: 40.063em) { + .tooltip > .nub { + border-color: transparent transparent #333333 transparent; + top: -10px; } + .tooltip.tip-top > .nub { + border-color: #333333 transparent transparent transparent; + top: auto; + bottom: -10px; } + .tooltip.tip-left, .tooltip.tip-right { + float: none !important; } + .tooltip.tip-left > .nub { + border-color: transparent transparent transparent #333333; + right: -10px; + left: auto; + top: 50%; + margin-top: -5px; } + .tooltip.tip-right > .nub { + border-color: transparent #333333 transparent transparent; + right: auto; + left: -10px; + top: 50%; + margin-top: -5px; } } +/* Clearing Styles */ +.clearing-thumbs, [data-clearing] { + margin-bottom: 0; + margin-left: 0; + list-style: none; } + .clearing-thumbs:before, .clearing-thumbs:after, [data-clearing]:before, [data-clearing]:after { + content: " "; + display: table; } + .clearing-thumbs:after, [data-clearing]:after { + clear: both; } + .clearing-thumbs li, [data-clearing] li { + float: left; + margin-right: 10px; } + .clearing-thumbs[class*="block-grid-"] li, [data-clearing][class*="block-grid-"] li { + margin-right: 0; } + +.clearing-blackout { + background: #333333; + position: fixed; + width: 100%; + height: 100%; + top: 0; + left: 0; + z-index: 998; } + .clearing-blackout .clearing-close { + display: block; } + +.clearing-container { + position: relative; + z-index: 998; + height: 100%; + overflow: hidden; + margin: 0; } + +.clearing-touch-label { + position: absolute; + top: 50%; + left: 50%; + color: #aaaaaa; + font-size: 0.6em; } + +.visible-img { + height: 95%; + position: relative; } + .visible-img img { + position: absolute; + left: 50%; + top: 50%; + margin-left: -50%; + max-height: 100%; + max-width: 100%; } + +.clearing-caption { + color: #cccccc; + font-size: 0.875em; + line-height: 1.3; + margin-bottom: 0; + text-align: center; + bottom: 0; + background: #333333; + width: 100%; + padding: 10px 30px 20px; + position: absolute; + left: 0; } + +.clearing-close { + z-index: 999; + padding-left: 20px; + padding-top: 10px; + font-size: 30px; + line-height: 1; + color: #cccccc; + display: none; } + .clearing-close:hover, .clearing-close:focus { + color: #cccccc; } + +.clearing-assembled .clearing-container { + height: 100%; } + .clearing-assembled .clearing-container .carousel > ul { + display: none; } + +.clearing-feature li { + display: none; } + .clearing-feature li.clearing-featured-img { + display: block; } + +@media only screen and (min-width: 40.063em) { + .clearing-main-prev, + .clearing-main-next { + position: absolute; + height: 100%; + width: 40px; + top: 0; } + .clearing-main-prev > span, + .clearing-main-next > span { + position: absolute; + top: 50%; + display: block; + width: 0; + height: 0; + border: solid 12px; } + .clearing-main-prev > span:hover, + .clearing-main-next > span:hover { + opacity: 0.8; } + + .clearing-main-prev { + left: 0; } + .clearing-main-prev > span { + left: 5px; + border-color: transparent; + border-right-color: #cccccc; } + + .clearing-main-next { + right: 0; } + .clearing-main-next > span { + border-color: transparent; + border-left-color: #cccccc; } + + .clearing-main-prev.disabled, + .clearing-main-next.disabled { + opacity: 0.3; } + + .clearing-assembled .clearing-container .carousel { + background: rgba(51, 51, 51, 0.8); + height: 120px; + margin-top: 10px; + text-align: center; } + .clearing-assembled .clearing-container .carousel > ul { + display: inline-block; + z-index: 999; + height: 100%; + position: relative; + float: none; } + .clearing-assembled .clearing-container .carousel > ul li { + display: block; + width: 120px; + min-height: inherit; + float: left; + overflow: hidden; + margin-right: 0; + padding: 0; + position: relative; + cursor: pointer; + opacity: 0.4; + clear: none; } + .clearing-assembled .clearing-container .carousel > ul li.fix-height img { + height: 100%; + max-width: none; } + .clearing-assembled .clearing-container .carousel > ul li a.th { + border: none; + box-shadow: none; + display: block; } + .clearing-assembled .clearing-container .carousel > ul li img { + cursor: pointer !important; + width: 100% !important; } + .clearing-assembled .clearing-container .carousel > ul li.visible { + opacity: 1; } + .clearing-assembled .clearing-container .carousel > ul li:hover { + opacity: 0.8; } + .clearing-assembled .clearing-container .visible-img { + background: #333333; + overflow: hidden; + height: 85%; } + + .clearing-close { + position: absolute; + top: 10px; + right: 20px; + padding-left: 0; + padding-top: 0; } } +/* Progress Bar */ +.progress { + background-color: #f6f6f6; + height: 1.5625rem; + border: 1px solid white; + padding: 0.125rem; + margin-bottom: 0.625rem; } + .progress .meter { + background: #008cba; + height: 100%; + display: block; } + .progress.secondary .meter { + background: #e7e7e7; + height: 100%; + display: block; } + .progress.success .meter { + background: #43ac6a; + height: 100%; + display: block; } + .progress.alert .meter { + background: #f04124; + height: 100%; + display: block; } + .progress.radius { + border-radius: 3px; } + .progress.radius .meter { + border-radius: 2px; } + .progress.round { + border-radius: 1000px; } + .progress.round .meter { + border-radius: 999px; } + +.sub-nav { + display: block; + width: auto; + overflow: hidden; + margin-bottom: -0.25rem 0 1.125rem; + padding-top: 0.25rem; } + .sub-nav dt { + text-transform: uppercase; } + .sub-nav dt, + .sub-nav dd, + .sub-nav li { + float: left; + display: inline; + margin-left: 1rem; + margin-bottom: 0; + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; + font-weight: normal; + font-size: 0.875rem; + color: #999999; } + .sub-nav dt a, + .sub-nav dd a, + .sub-nav li a { + text-decoration: none; + color: #999999; + padding: 0.1875rem 1rem; } + .sub-nav dt a:hover, + .sub-nav dd a:hover, + .sub-nav li a:hover { + color: #737373; } + .sub-nav dt.active a, + .sub-nav dd.active a, + .sub-nav li.active a { + border-radius: 3px; + font-weight: normal; + background: #008cba; + padding: 0.1875rem 1rem; + cursor: default; + color: white; } + .sub-nav dt.active a:hover, + .sub-nav dd.active a:hover, + .sub-nav li.active a:hover { + background: #0078a0; } + +/* Foundation Joyride */ +.joyride-list { + display: none; } + +/* Default styles for the container */ +.joyride-tip-guide { + display: none; + position: absolute; + background: #333333; + color: white; + z-index: 101; + top: 0; + left: 2.5%; + font-family: inherit; + font-weight: normal; + width: 95%; } + +.lt-ie9 .joyride-tip-guide { + max-width: 800px; + left: 50%; + margin-left: -400px; } + +.joyride-content-wrapper { + width: 100%; + padding: 1.125rem 1.25rem 1.5rem; } + .joyride-content-wrapper .button { + margin-bottom: 0 !important; } + .joyride-content-wrapper .joyride-prev-tip { + margin-right: 10px; } + +/* Add a little css triangle pip, older browser just miss out on the fanciness of it */ +.joyride-tip-guide .joyride-nub { + display: block; + position: absolute; + left: 22px; + width: 0; + height: 0; + border: 10px solid #333333; } + .joyride-tip-guide .joyride-nub.top { + border-top-style: solid; + border-color: #333333; + border-top-color: transparent !important; + border-left-color: transparent !important; + border-right-color: transparent !important; + top: -20px; } + .joyride-tip-guide .joyride-nub.bottom { + border-bottom-style: solid; + border-color: #333333 !important; + border-bottom-color: transparent !important; + border-left-color: transparent !important; + border-right-color: transparent !important; + bottom: -20px; } + .joyride-tip-guide .joyride-nub.right { + right: -20px; } + .joyride-tip-guide .joyride-nub.left { + left: -20px; } + +/* Typography */ +.joyride-tip-guide h1, +.joyride-tip-guide h2, +.joyride-tip-guide h3, +.joyride-tip-guide h4, +.joyride-tip-guide h5, +.joyride-tip-guide h6 { + line-height: 1.25; + margin: 0; + font-weight: bold; + color: white; } + +.joyride-tip-guide p { + margin: 0 0 1.125rem 0; + font-size: 0.875rem; + line-height: 1.3; } + +.joyride-timer-indicator-wrap { + width: 50px; + height: 3px; + border: solid 1px #555555; + position: absolute; + right: 1.0625rem; + bottom: 1rem; } + +.joyride-timer-indicator { + display: block; + width: 0; + height: inherit; + background: #666666; } + +.joyride-close-tip { + position: absolute; + right: 12px; + top: 10px; + color: #777777 !important; + text-decoration: none; + font-size: 24px; + font-weight: normal; + line-height: .5 !important; } + .joyride-close-tip:hover, .joyride-close-tip:focus { + color: #eeeeee !important; } + +.joyride-modal-bg { + position: fixed; + height: 100%; + width: 100%; + background: transparent; + background: rgba(0, 0, 0, 0.5); + z-index: 100; + display: none; + top: 0; + left: 0; + cursor: pointer; } + +.joyride-expose-wrapper { + background-color: white; + position: absolute; + border-radius: 3px; + z-index: 102; + box-shadow: 0 0 15px white; } + +.joyride-expose-cover { + background: transparent; + border-radius: 3px; + position: absolute; + z-index: 9999; + top: 0; + left: 0; } + +/* Styles for screens that are at least 768px; */ +@media only screen and (min-width: 40.063em) { + .joyride-tip-guide { + width: 300px; + left: inherit; } + .joyride-tip-guide .joyride-nub.bottom { + border-color: #333333 !important; + border-bottom-color: transparent !important; + border-left-color: transparent !important; + border-right-color: transparent !important; + bottom: -20px; } + .joyride-tip-guide .joyride-nub.right { + border-color: #333333 !important; + border-top-color: transparent !important; + border-right-color: transparent !important; + border-bottom-color: transparent !important; + top: 22px; + left: auto; + right: -20px; } + .joyride-tip-guide .joyride-nub.left { + border-color: #333333 !important; + border-top-color: transparent !important; + border-left-color: transparent !important; + border-bottom-color: transparent !important; + top: 22px; + left: -20px; + right: auto; } } +.label { + font-weight: normal; + font-family: "Helvetica Neue", Helvetica, Roboto, Arial, sans-serif; + text-align: center; + text-decoration: none; + line-height: 1; + white-space: nowrap; + display: inline-block; + position: relative; + margin-bottom: inherit; + padding: 0.25rem 0.5rem 0.25rem; + font-size: 0.6875rem; + background-color: #008cba; + color: white; } + .label.radius { + border-radius: 3px; } + .label.round { + border-radius: 1000px; } + .label.alert { + background-color: #f04124; + color: white; } + .label.warning { + background-color: #f08a24; + color: white; } + .label.success { + background-color: #43ac6a; + color: white; } + .label.secondary { + background-color: #e7e7e7; + color: #333333; } + .label.info { + background-color: #a0d3e8; + color: #333333; } + +.off-canvas-wrap { + -webkit-backface-visibility: hidden; + position: relative; + width: 100%; + overflow: hidden; } + .off-canvas-wrap.move-right, .off-canvas-wrap.move-left { + min-height: 100%; + -webkit-overflow-scrolling: touch; } + +.inner-wrap { + -webkit-backface-visibility: hidden; + position: relative; + width: 100%; + -webkit-transition: -webkit-transform 500ms ease; + -moz-transition: -moz-transform 500ms ease; + -ms-transition: -ms-transform 500ms ease; + -o-transition: -o-transform 500ms ease; + transition: transform 500ms ease; } + .inner-wrap:before, .inner-wrap:after { + content: " "; + display: table; } + .inner-wrap:after { + clear: both; } + +.tab-bar { + -webkit-backface-visibility: hidden; + background: #333333; + color: white; + height: 2.8125rem; + line-height: 2.8125rem; + position: relative; } + .tab-bar h1, .tab-bar h2, .tab-bar h3, .tab-bar h4, .tab-bar h5, .tab-bar h6 { + color: white; + font-weight: bold; + line-height: 2.8125rem; + margin: 0; } + .tab-bar h1, .tab-bar h2, .tab-bar h3, .tab-bar h4 { + font-size: 1.125rem; } + +.left-small { + width: 2.8125rem; + height: 2.8125rem; + position: absolute; + top: 0; + border-right: solid 1px #1a1a1a; + left: 0; } + +.right-small { + width: 2.8125rem; + height: 2.8125rem; + position: absolute; + top: 0; + border-left: solid 1px #1a1a1a; + right: 0; } + +.tab-bar-section { + padding: 0 0.625rem; + position: absolute; + text-align: center; + height: 2.8125rem; + top: 0; } + @media only screen and (min-width: 40.063em) { + .tab-bar-section.left, .tab-bar-section.right { + text-align: left; } } + .tab-bar-section.left { + left: 0; + right: 2.8125rem; } + .tab-bar-section.right { + left: 2.8125rem; + right: 0; } + .tab-bar-section.middle { + left: 2.8125rem; + right: 2.8125rem; } + +.tab-bar .menu-icon { + text-indent: 2.1875rem; + width: 2.8125rem; + height: 2.8125rem; + display: block; + padding: 0; + color: white; + position: relative; + transform: translate3d(0, 0, 0); } + .tab-bar .menu-icon span::after { + content: ""; + position: absolute; + display: block; + height: 0; + top: 50%; + margin-top: -0.5rem; + left: 0.90625rem; + box-shadow: 0 0px 0 1px white, 0 7px 0 1px white, 0 14px 0 1px white; + width: 1rem; } + .tab-bar .menu-icon span:hover:after { + box-shadow: 0 0px 0 1px #b3b3b3, 0 7px 0 1px #b3b3b3, 0 14px 0 1px #b3b3b3; } + +.left-off-canvas-menu { + -webkit-backface-visibility: hidden; + width: 15.625rem; + top: 0; + bottom: 0; + position: absolute; + overflow-x: hidden; + overflow-y: auto; + background: #333333; + z-index: 1001; + box-sizing: content-box; + transition: transform 500ms ease 0s; + -webkit-overflow-scrolling: touch; + -ms-overflow-style: -ms-autohiding-scrollbar; + -ms-transform: translate(-100.5%, 0); + -webkit-transform: translate3d(-100.5%, 0, 0); + -moz-transform: translate3d(-100.5%, 0, 0); + -ms-transform: translate3d(-100.5%, 0, 0); + -o-transform: translate3d(-100.5%, 0, 0); + transform: translate3d(-100.5%, 0, 0); + left: 0; } + .left-off-canvas-menu * { + -webkit-backface-visibility: hidden; } + +.right-off-canvas-menu { + -webkit-backface-visibility: hidden; + width: 15.625rem; + top: 0; + bottom: 0; + position: absolute; + overflow-x: hidden; + overflow-y: auto; + background: #333333; + z-index: 1001; + box-sizing: content-box; + transition: transform 500ms ease 0s; + -webkit-overflow-scrolling: touch; + -ms-overflow-style: -ms-autohiding-scrollbar; + -ms-transform: translate(100.5%, 0); + -webkit-transform: translate3d(100.5%, 0, 0); + -moz-transform: translate3d(100.5%, 0, 0); + -ms-transform: translate3d(100.5%, 0, 0); + -o-transform: translate3d(100.5%, 0, 0); + transform: translate3d(100.5%, 0, 0); + right: 0; } + .right-off-canvas-menu * { + -webkit-backface-visibility: hidden; } + +ul.off-canvas-list { + list-style-type: none; + padding: 0; + margin: 0; } + ul.off-canvas-list li label { + display: block; + padding: 0.3rem 0.9375rem; + color: #999999; + text-transform: uppercase; + font-size: 0.75rem; + font-weight: bold; + background: #444444; + border-top: 1px solid #5e5e5e; + border-bottom: none; + margin: 0; } + ul.off-canvas-list li a { + display: block; + padding: 0.66667rem; + color: rgba(255, 255, 255, 0.7); + border-bottom: 1px solid #262626; + transition: background 300ms ease; } + ul.off-canvas-list li a:hover { + background: #242424; } + +.move-right > .inner-wrap { + -ms-transform: translate(15.625rem, 0); + -webkit-transform: translate3d(15.625rem, 0, 0); + -moz-transform: translate3d(15.625rem, 0, 0); + -ms-transform: translate3d(15.625rem, 0, 0); + -o-transform: translate3d(15.625rem, 0, 0); + transform: translate3d(15.625rem, 0, 0); } +.move-right .exit-off-canvas { + -webkit-backface-visibility: hidden; + transition: background 300ms ease; + cursor: pointer; + box-shadow: -4px 0 4px rgba(0, 0, 0, 0.5), 4px 0 4px rgba(0, 0, 0, 0.5); + display: block; + position: absolute; + background: rgba(255, 255, 255, 0.2); + top: 0; + bottom: 0; + left: 0; + right: 0; + z-index: 1002; + -webkit-tap-highlight-color: rgba(0, 0, 0, 0); } + @media only screen and (min-width: 40.063em) { + .move-right .exit-off-canvas:hover { + background: rgba(255, 255, 255, 0.05); } } + +.move-left > .inner-wrap { + -ms-transform: translate(-15.625rem, 0); + -webkit-transform: translate3d(-15.625rem, 0, 0); + -moz-transform: translate3d(-15.625rem, 0, 0); + -ms-transform: translate3d(-15.625rem, 0, 0); + -o-transform: translate3d(-15.625rem, 0, 0); + transform: translate3d(-15.625rem, 0, 0); } +.move-left .exit-off-canvas { + -webkit-backface-visibility: hidden; + transition: background 300ms ease; + cursor: pointer; + box-shadow: -4px 0 4px rgba(0, 0, 0, 0.5), 4px 0 4px rgba(0, 0, 0, 0.5); + display: block; + position: absolute; + background: rgba(255, 255, 255, 0.2); + top: 0; + bottom: 0; + left: 0; + right: 0; + z-index: 1002; + -webkit-tap-highlight-color: rgba(0, 0, 0, 0); } + @media only screen and (min-width: 40.063em) { + .move-left .exit-off-canvas:hover { + background: rgba(255, 255, 255, 0.05); } } + +.offcanvas-overlap .left-off-canvas-menu, .offcanvas-overlap .right-off-canvas-menu { + -ms-transform: none; + -webkit-transform: none; + -moz-transform: none; + -o-transform: none; + transform: none; + z-index: 1003; } +.offcanvas-overlap .exit-off-canvas { + -webkit-backface-visibility: hidden; + transition: background 300ms ease; + cursor: pointer; + box-shadow: -4px 0 4px rgba(0, 0, 0, 0.5), 4px 0 4px rgba(0, 0, 0, 0.5); + display: block; + position: absolute; + background: rgba(255, 255, 255, 0.2); + top: 0; + bottom: 0; + left: 0; + right: 0; + z-index: 1002; + -webkit-tap-highlight-color: rgba(0, 0, 0, 0); } + @media only screen and (min-width: 40.063em) { + .offcanvas-overlap .exit-off-canvas:hover { + background: rgba(255, 255, 255, 0.05); } } + +.offcanvas-overlap-left .right-off-canvas-menu { + -ms-transform: none; + -webkit-transform: none; + -moz-transform: none; + -o-transform: none; + transform: none; + z-index: 1003; } +.offcanvas-overlap-left .exit-off-canvas { + -webkit-backface-visibility: hidden; + transition: background 300ms ease; + cursor: pointer; + box-shadow: -4px 0 4px rgba(0, 0, 0, 0.5), 4px 0 4px rgba(0, 0, 0, 0.5); + display: block; + position: absolute; + background: rgba(255, 255, 255, 0.2); + top: 0; + bottom: 0; + left: 0; + right: 0; + z-index: 1002; + -webkit-tap-highlight-color: rgba(0, 0, 0, 0); } + @media only screen and (min-width: 40.063em) { + .offcanvas-overlap-left .exit-off-canvas:hover { + background: rgba(255, 255, 255, 0.05); } } + +.offcanvas-overlap-right .left-off-canvas-menu { + -ms-transform: none; + -webkit-transform: none; + -moz-transform: none; + -o-transform: none; + transform: none; + z-index: 1003; } +.offcanvas-overlap-right .exit-off-canvas { + -webkit-backface-visibility: hidden; + transition: background 300ms ease; + cursor: pointer; + box-shadow: -4px 0 4px rgba(0, 0, 0, 0.5), 4px 0 4px rgba(0, 0, 0, 0.5); + display: block; + position: absolute; + background: rgba(255, 255, 255, 0.2); + top: 0; + bottom: 0; + left: 0; + right: 0; + z-index: 1002; + -webkit-tap-highlight-color: rgba(0, 0, 0, 0); } + @media only screen and (min-width: 40.063em) { + .offcanvas-overlap-right .exit-off-canvas:hover { + background: rgba(255, 255, 255, 0.05); } } + +.no-csstransforms .left-off-canvas-menu { + left: -15.625rem; } +.no-csstransforms .right-off-canvas-menu { + right: -15.625rem; } +.no-csstransforms .move-left > .inner-wrap { + right: 15.625rem; } +.no-csstransforms .move-right > .inner-wrap { + left: 15.625rem; } + +.left-submenu { + -webkit-backface-visibility: hidden; + width: 15.625rem; + top: 0; + bottom: 0; + position: absolute; + margin: 0; + overflow-x: hidden; + overflow-y: auto; + background: #333333; + z-index: 1002; + box-sizing: content-box; + -webkit-overflow-scrolling: touch; + -ms-transform: translate(-100%, 0); + -webkit-transform: translate3d(-100%, 0, 0); + -moz-transform: translate3d(-100%, 0, 0); + -ms-transform: translate3d(-100%, 0, 0); + -o-transform: translate3d(-100%, 0, 0); + transform: translate3d(-100%, 0, 0); + left: 0; + -webkit-transition: -webkit-transform 500ms ease; + -moz-transition: -moz-transform 500ms ease; + -ms-transition: -ms-transform 500ms ease; + -o-transition: -o-transform 500ms ease; + transition: transform 500ms ease; } + .left-submenu * { + -webkit-backface-visibility: hidden; } + .left-submenu .back > a { + padding: 0.3rem 0.9375rem; + color: #999999; + text-transform: uppercase; + font-weight: bold; + background: #444444; + border-top: 1px solid #5e5e5e; + border-bottom: none; + margin: 0; } + .left-submenu .back > a:hover { + background: #303030; + border-top: 1px solid #5e5e5e; + border-bottom: none; } + .left-submenu .back > a:before { + content: "\AB"; + margin-right: 0.5rem; + display: inline; } + .left-submenu.move-right { + -ms-transform: translate(0%, 0); + -webkit-transform: translate3d(0%, 0, 0); + -moz-transform: translate3d(0%, 0, 0); + -ms-transform: translate3d(0%, 0, 0); + -o-transform: translate3d(0%, 0, 0); + transform: translate3d(0%, 0, 0); } + +.right-submenu { + -webkit-backface-visibility: hidden; + width: 15.625rem; + top: 0; + bottom: 0; + position: absolute; + margin: 0; + overflow-x: hidden; + overflow-y: auto; + background: #333333; + z-index: 1002; + box-sizing: content-box; + -webkit-overflow-scrolling: touch; + -ms-transform: translate(100%, 0); + -webkit-transform: translate3d(100%, 0, 0); + -moz-transform: translate3d(100%, 0, 0); + -ms-transform: translate3d(100%, 0, 0); + -o-transform: translate3d(100%, 0, 0); + transform: translate3d(100%, 0, 0); + right: 0; + -webkit-transition: -webkit-transform 500ms ease; + -moz-transition: -moz-transform 500ms ease; + -ms-transition: -ms-transform 500ms ease; + -o-transition: -o-transform 500ms ease; + transition: transform 500ms ease; } + .right-submenu * { + -webkit-backface-visibility: hidden; } + .right-submenu .back > a { + padding: 0.3rem 0.9375rem; + color: #999999; + text-transform: uppercase; + font-weight: bold; + background: #444444; + border-top: 1px solid #5e5e5e; + border-bottom: none; + margin: 0; } + .right-submenu .back > a:hover { + background: #303030; + border-top: 1px solid #5e5e5e; + border-bottom: none; } + .right-submenu .back > a:after { + content: "\BB"; + margin-left: 0.5rem; + display: inline; } + .right-submenu.move-left { + -ms-transform: translate(0%, 0); + -webkit-transform: translate3d(0%, 0, 0); + -moz-transform: translate3d(0%, 0, 0); + -ms-transform: translate3d(0%, 0, 0); + -o-transform: translate3d(0%, 0, 0); + transform: translate3d(0%, 0, 0); } + +.left-off-canvas-menu ul.off-canvas-list li.has-submenu > a:after { + content: "\BB"; + margin-left: 0.5rem; + display: inline; } + +.right-off-canvas-menu ul.off-canvas-list li.has-submenu > a:before { + content: "\AB"; + margin-right: 0.5rem; + display: inline; } + +/* Foundation Dropdowns */ +.f-dropdown { + position: absolute; + left: -9999px; + list-style: none; + margin-left: 0; + outline: none; + width: 100%; + max-height: none; + height: auto; + background: white; + border: solid 1px #cccccc; + font-size: 0.875rem; + z-index: 89; + margin-top: 2px; + max-width: 200px; } + .f-dropdown > *:first-child { + margin-top: 0; } + .f-dropdown > *:last-child { + margin-bottom: 0; } + .f-dropdown:before { + content: ""; + display: block; + width: 0; + height: 0; + border: inset 6px; + border-color: transparent transparent white transparent; + border-bottom-style: solid; + position: absolute; + top: -12px; + left: 10px; + z-index: 89; } + .f-dropdown:after { + content: ""; + display: block; + width: 0; + height: 0; + border: inset 7px; + border-color: transparent transparent #cccccc transparent; + border-bottom-style: solid; + position: absolute; + top: -14px; + left: 9px; + z-index: 88; } + .f-dropdown.right:before { + left: auto; + right: 10px; } + .f-dropdown.right:after { + left: auto; + right: 9px; } + .f-dropdown.drop-right { + position: absolute; + left: -9999px; + list-style: none; + margin-left: 0; + outline: none; + width: 100%; + max-height: none; + height: auto; + background: white; + border: solid 1px #cccccc; + font-size: 0.875rem; + z-index: 89; + margin-top: 0; + margin-left: 2px; + max-width: 200px; } + .f-dropdown.drop-right > *:first-child { + margin-top: 0; } + .f-dropdown.drop-right > *:last-child { + margin-bottom: 0; } + .f-dropdown.drop-right:before { + content: ""; + display: block; + width: 0; + height: 0; + border: inset 6px; + border-color: transparent white transparent transparent; + border-right-style: solid; + position: absolute; + top: 10px; + left: -12px; + z-index: 89; } + .f-dropdown.drop-right:after { + content: ""; + display: block; + width: 0; + height: 0; + border: inset 7px; + border-color: transparent #cccccc transparent transparent; + border-right-style: solid; + position: absolute; + top: 9px; + left: -14px; + z-index: 88; } + .f-dropdown.drop-left { + position: absolute; + left: -9999px; + list-style: none; + margin-left: 0; + outline: none; + width: 100%; + max-height: none; + height: auto; + background: white; + border: solid 1px #cccccc; + font-size: 0.875rem; + z-index: 89; + margin-top: 0; + margin-left: -2px; + max-width: 200px; } + .f-dropdown.drop-left > *:first-child { + margin-top: 0; } + .f-dropdown.drop-left > *:last-child { + margin-bottom: 0; } + .f-dropdown.drop-left:before { + content: ""; + display: block; + width: 0; + height: 0; + border: inset 6px; + border-color: transparent transparent transparent white; + border-left-style: solid; + position: absolute; + top: 10px; + right: -12px; + left: auto; + z-index: 89; } + .f-dropdown.drop-left:after { + content: ""; + display: block; + width: 0; + height: 0; + border: inset 7px; + border-color: transparent transparent transparent #cccccc; + border-left-style: solid; + position: absolute; + top: 9px; + right: -14px; + left: auto; + z-index: 88; } + .f-dropdown.drop-top { + position: absolute; + left: -9999px; + list-style: none; + margin-left: 0; + outline: none; + width: 100%; + max-height: none; + height: auto; + background: white; + border: solid 1px #cccccc; + font-size: 0.875rem; + z-index: 89; + margin-top: -2px; + margin-left: 0; + max-width: 200px; } + .f-dropdown.drop-top > *:first-child { + margin-top: 0; } + .f-dropdown.drop-top > *:last-child { + margin-bottom: 0; } + .f-dropdown.drop-top:before { + content: ""; + display: block; + width: 0; + height: 0; + border: inset 6px; + border-color: white transparent transparent transparent; + border-top-style: solid; + position: absolute; + top: auto; + bottom: -12px; + left: 10px; + right: auto; + z-index: 89; } + .f-dropdown.drop-top:after { + content: ""; + display: block; + width: 0; + height: 0; + border: inset 7px; + border-color: #cccccc transparent transparent transparent; + border-top-style: solid; + position: absolute; + top: auto; + bottom: -14px; + left: 9px; + right: auto; + z-index: 88; } + .f-dropdown li { + font-size: 0.875rem; + cursor: pointer; + line-height: 1.125rem; + margin: 0; } + .f-dropdown li:hover, .f-dropdown li:focus { + background: #eeeeee; } + .f-dropdown li.radius { + border-radius: 3px; } + .f-dropdown li a { + display: block; + padding: 0.5rem; + color: #555555; } + .f-dropdown.content { + position: absolute; + left: -9999px; + list-style: none; + margin-left: 0; + outline: none; + padding: 1.25rem; + width: 100%; + height: auto; + max-height: none; + background: white; + border: solid 1px #cccccc; + font-size: 0.875rem; + z-index: 89; + max-width: 200px; } + .f-dropdown.content > *:first-child { + margin-top: 0; } + .f-dropdown.content > *:last-child { + margin-bottom: 0; } + .f-dropdown.tiny { + max-width: 200px; } + .f-dropdown.small { + max-width: 300px; } + .f-dropdown.medium { + max-width: 500px; } + .f-dropdown.large { + max-width: 800px; } + .f-dropdown.mega { + width: 100% !important; + max-width: 100% !important; } + .f-dropdown.mega.open { + left: 0 !important; } + +table { + background: white; + margin-bottom: 1.25rem; + border: solid 1px #dddddd; + table-layout: auto; } + table caption { + background: transparent; + color: #222222; + font-size: 1rem; + font-weight: bold; } + table thead { + background: whitesmoke; } + table thead tr th, + table thead tr td { + padding: 0.5rem 0.625rem 0.625rem; + font-size: 0.875rem; + font-weight: bold; + color: #222222; } + table tfoot { + background: whitesmoke; } + table tfoot tr th, + table tfoot tr td { + padding: 0.5rem 0.625rem 0.625rem; + font-size: 0.875rem; + font-weight: bold; + color: #222222; } + table tr th, + table tr td { + padding: 0.5625rem 0.625rem; + font-size: 0.875rem; + color: #222222; + text-align: left; } + table tr.even, table tr.alt, table tr:nth-of-type(even) { + background: #f9f9f9; } + table thead tr th, + table tfoot tr th, + table tfoot tr td, + table tbody tr th, + table tbody tr td, + table tr td { + display: table-cell; + line-height: 1.125rem; } + +.range-slider { + display: block; + position: relative; + width: 100%; + height: 1rem; + border: 1px solid #dddddd; + margin: 1.25rem 0; + -ms-touch-action: none; + touch-action: none; + background: #fafafa; } + .range-slider.vertical-range { + display: block; + position: relative; + width: 100%; + height: 1rem; + border: 1px solid #dddddd; + margin: 1.25rem 0; + -ms-touch-action: none; + touch-action: none; + display: inline-block; + width: 1rem; + height: 12.5rem; } + .range-slider.vertical-range .range-slider-handle { + margin-top: 0; + margin-left: -0.5rem; + position: absolute; + bottom: -10.5rem; } + .range-slider.vertical-range .range-slider-active-segment { + width: 0.875rem; + height: auto; + bottom: 0; } + .range-slider.radius { + background: #fafafa; + border-radius: 3px; } + .range-slider.radius .range-slider-handle { + background: #008cba; + border-radius: 3px; } + .range-slider.radius .range-slider-handle:hover { + background: #007ba4; } + .range-slider.round { + background: #fafafa; + border-radius: 1000px; } + .range-slider.round .range-slider-handle { + background: #008cba; + border-radius: 1000px; } + .range-slider.round .range-slider-handle:hover { + background: #007ba4; } + .range-slider.disabled, .range-slider[disabled] { + background: #fafafa; + cursor: default; + opacity: 0.7; } + .range-slider.disabled .range-slider-handle, .range-slider[disabled] .range-slider-handle { + background: #008cba; + cursor: default; + opacity: 0.7; } + .range-slider.disabled .range-slider-handle:hover, .range-slider[disabled] .range-slider-handle:hover { + background: #007ba4; } + +.range-slider-active-segment { + display: inline-block; + position: absolute; + height: 0.875rem; + background: #e5e5e5; } + +.range-slider-handle { + display: inline-block; + position: absolute; + z-index: 1; + top: -0.3125rem; + width: 2rem; + height: 1.375rem; + border: 1px solid none; + cursor: pointer; + -ms-touch-action: manipulation; + touch-action: manipulation; + background: #008cba; } + .range-slider-handle:hover { + background: #007ba4; } + +[class*="block-grid-"] { + display: block; + padding: 0; + margin: 0 -0.625rem; } + [class*="block-grid-"]:before, [class*="block-grid-"]:after { + content: " "; + display: table; } + [class*="block-grid-"]:after { + clear: both; } + [class*="block-grid-"] > li { + display: block; + height: auto; + float: left; + padding: 0 0.625rem 1.25rem; } + +@media only screen { + .small-block-grid-1 > li { + width: 100%; + list-style: none; } + .small-block-grid-1 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-1 > li:nth-of-type(1n+1) { + clear: both; } + + .small-block-grid-2 > li { + width: 50%; + list-style: none; } + .small-block-grid-2 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-2 > li:nth-of-type(2n+1) { + clear: both; } + + .small-block-grid-3 > li { + width: 33.33333%; + list-style: none; } + .small-block-grid-3 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-3 > li:nth-of-type(3n+1) { + clear: both; } + + .small-block-grid-4 > li { + width: 25%; + list-style: none; } + .small-block-grid-4 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-4 > li:nth-of-type(4n+1) { + clear: both; } + + .small-block-grid-5 > li { + width: 20%; + list-style: none; } + .small-block-grid-5 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-5 > li:nth-of-type(5n+1) { + clear: both; } + + .small-block-grid-6 > li { + width: 16.66667%; + list-style: none; } + .small-block-grid-6 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-6 > li:nth-of-type(6n+1) { + clear: both; } + + .small-block-grid-7 > li { + width: 14.28571%; + list-style: none; } + .small-block-grid-7 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-7 > li:nth-of-type(7n+1) { + clear: both; } + + .small-block-grid-8 > li { + width: 12.5%; + list-style: none; } + .small-block-grid-8 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-8 > li:nth-of-type(8n+1) { + clear: both; } + + .small-block-grid-9 > li { + width: 11.11111%; + list-style: none; } + .small-block-grid-9 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-9 > li:nth-of-type(9n+1) { + clear: both; } + + .small-block-grid-10 > li { + width: 10%; + list-style: none; } + .small-block-grid-10 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-10 > li:nth-of-type(10n+1) { + clear: both; } + + .small-block-grid-11 > li { + width: 9.09091%; + list-style: none; } + .small-block-grid-11 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-11 > li:nth-of-type(11n+1) { + clear: both; } + + .small-block-grid-12 > li { + width: 8.33333%; + list-style: none; } + .small-block-grid-12 > li:nth-of-type(1n) { + clear: none; } + .small-block-grid-12 > li:nth-of-type(12n+1) { + clear: both; } } +@media only screen and (min-width: 40.063em) { + .medium-block-grid-1 > li { + width: 100%; + list-style: none; } + .medium-block-grid-1 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-1 > li:nth-of-type(1n+1) { + clear: both; } + + .medium-block-grid-2 > li { + width: 50%; + list-style: none; } + .medium-block-grid-2 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-2 > li:nth-of-type(2n+1) { + clear: both; } + + .medium-block-grid-3 > li { + width: 33.33333%; + list-style: none; } + .medium-block-grid-3 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-3 > li:nth-of-type(3n+1) { + clear: both; } + + .medium-block-grid-4 > li { + width: 25%; + list-style: none; } + .medium-block-grid-4 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-4 > li:nth-of-type(4n+1) { + clear: both; } + + .medium-block-grid-5 > li { + width: 20%; + list-style: none; } + .medium-block-grid-5 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-5 > li:nth-of-type(5n+1) { + clear: both; } + + .medium-block-grid-6 > li { + width: 16.66667%; + list-style: none; } + .medium-block-grid-6 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-6 > li:nth-of-type(6n+1) { + clear: both; } + + .medium-block-grid-7 > li { + width: 14.28571%; + list-style: none; } + .medium-block-grid-7 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-7 > li:nth-of-type(7n+1) { + clear: both; } + + .medium-block-grid-8 > li { + width: 12.5%; + list-style: none; } + .medium-block-grid-8 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-8 > li:nth-of-type(8n+1) { + clear: both; } + + .medium-block-grid-9 > li { + width: 11.11111%; + list-style: none; } + .medium-block-grid-9 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-9 > li:nth-of-type(9n+1) { + clear: both; } + + .medium-block-grid-10 > li { + width: 10%; + list-style: none; } + .medium-block-grid-10 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-10 > li:nth-of-type(10n+1) { + clear: both; } + + .medium-block-grid-11 > li { + width: 9.09091%; + list-style: none; } + .medium-block-grid-11 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-11 > li:nth-of-type(11n+1) { + clear: both; } + + .medium-block-grid-12 > li { + width: 8.33333%; + list-style: none; } + .medium-block-grid-12 > li:nth-of-type(1n) { + clear: none; } + .medium-block-grid-12 > li:nth-of-type(12n+1) { + clear: both; } } +@media only screen and (min-width: 64.063em) { + .large-block-grid-1 > li { + width: 100%; + list-style: none; } + .large-block-grid-1 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-1 > li:nth-of-type(1n+1) { + clear: both; } + + .large-block-grid-2 > li { + width: 50%; + list-style: none; } + .large-block-grid-2 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-2 > li:nth-of-type(2n+1) { + clear: both; } + + .large-block-grid-3 > li { + width: 33.33333%; + list-style: none; } + .large-block-grid-3 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-3 > li:nth-of-type(3n+1) { + clear: both; } + + .large-block-grid-4 > li { + width: 25%; + list-style: none; } + .large-block-grid-4 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-4 > li:nth-of-type(4n+1) { + clear: both; } + + .large-block-grid-5 > li { + width: 20%; + list-style: none; } + .large-block-grid-5 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-5 > li:nth-of-type(5n+1) { + clear: both; } + + .large-block-grid-6 > li { + width: 16.66667%; + list-style: none; } + .large-block-grid-6 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-6 > li:nth-of-type(6n+1) { + clear: both; } + + .large-block-grid-7 > li { + width: 14.28571%; + list-style: none; } + .large-block-grid-7 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-7 > li:nth-of-type(7n+1) { + clear: both; } + + .large-block-grid-8 > li { + width: 12.5%; + list-style: none; } + .large-block-grid-8 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-8 > li:nth-of-type(8n+1) { + clear: both; } + + .large-block-grid-9 > li { + width: 11.11111%; + list-style: none; } + .large-block-grid-9 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-9 > li:nth-of-type(9n+1) { + clear: both; } + + .large-block-grid-10 > li { + width: 10%; + list-style: none; } + .large-block-grid-10 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-10 > li:nth-of-type(10n+1) { + clear: both; } + + .large-block-grid-11 > li { + width: 9.09091%; + list-style: none; } + .large-block-grid-11 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-11 > li:nth-of-type(11n+1) { + clear: both; } + + .large-block-grid-12 > li { + width: 8.33333%; + list-style: none; } + .large-block-grid-12 > li:nth-of-type(1n) { + clear: none; } + .large-block-grid-12 > li:nth-of-type(12n+1) { + clear: both; } } +.flex-video { + position: relative; + padding-top: 1.5625rem; + padding-bottom: 67.5%; + height: 0; + margin-bottom: 1rem; + overflow: hidden; } + .flex-video.widescreen { + padding-bottom: 56.34%; } + .flex-video.vimeo { + padding-top: 0; } + .flex-video iframe, + .flex-video object, + .flex-video embed, + .flex-video video { + position: absolute; + top: 0; + left: 0; + width: 100%; + height: 100%; } + +.keystroke, +kbd { + background-color: #ededed; + border-color: #dddddd; + color: #222222; + border-style: solid; + border-width: 1px; + margin: 0; + font-family: "Consolas", "Menlo", "Courier", monospace; + font-size: inherit; + padding: 0.125rem 0.25rem 0; + border-radius: 3px; } + +.switch { + padding: 0; + border: none; + position: relative; + outline: 0; + -webkit-user-select: none; + -moz-user-select: none; + user-select: none; } + .switch label { + display: block; + margin-bottom: 1rem; + position: relative; + color: transparent; + background: #dddddd; + text-indent: 100%; + width: 4rem; + height: 2rem; + cursor: pointer; + transition: left 0.15s ease-out; } + .switch input { + opacity: 0; + position: absolute; + top: 9px; + left: 10px; + padding: 0; } + .switch input + label { + margin-left: 0; + margin-right: 0; } + .switch label:after { + content: ""; + display: block; + background: white; + position: absolute; + top: .25rem; + left: .25rem; + width: 1.5rem; + height: 1.5rem; + -webkit-transition: left 0.15s ease-out; + -moz-transition: left 0.15s ease-out; + transition: left 0.15s ease-out; + -webkit-transform: translate3d(0, 0, 0); + -moz-transform: translate3d(0, 0, 0); + transform: translate3d(0, 0, 0); } + .switch input:checked + label { + background: #008cba; } + .switch input:checked + label:after { + left: 2.25rem; } + .switch label { + width: 4rem; + height: 2rem; } + .switch label:after { + width: 1.5rem; + height: 1.5rem; } + .switch input:checked + label:after { + left: 2.25rem; } + .switch label { + color: transparent; + background: #dddddd; } + .switch label:after { + background: white; } + .switch input:checked + label { + background: #008cba; } + .switch.large label { + width: 5rem; + height: 2.5rem; } + .switch.large label:after { + width: 2rem; + height: 2rem; } + .switch.large input:checked + label:after { + left: 2.75rem; } + .switch.small label { + width: 3.5rem; + height: 1.75rem; } + .switch.small label:after { + width: 1.25rem; + height: 1.25rem; } + .switch.small input:checked + label:after { + left: 2rem; } + .switch.tiny label { + width: 3rem; + height: 1.5rem; } + .switch.tiny label:after { + width: 1rem; + height: 1rem; } + .switch.tiny input:checked + label:after { + left: 1.75rem; } + .switch.radius label { + border-radius: 4px; } + .switch.radius label:after { + border-radius: 3px; } + .switch.round { + border-radius: 1000px; } + .switch.round label { + border-radius: 2rem; } + .switch.round label:after { + border-radius: 2rem; } + +/* small displays */ +@media only screen { + .show-for-small-only, .show-for-small-up, .show-for-small, .show-for-small-down, .hide-for-medium-only, .hide-for-medium-up, .hide-for-medium, .show-for-medium-down, .hide-for-large-only, .hide-for-large-up, .hide-for-large, .show-for-large-down, .hide-for-xlarge-only, .hide-for-xlarge-up, .hide-for-xxlarge-only, .hide-for-xxlarge-up { + display: inherit !important; } + + .hide-for-small-only, .hide-for-small-up, .hide-for-small, .hide-for-small-down, .show-for-medium-only, .show-for-medium-up, .show-for-medium, .hide-for-medium-down, .show-for-large-only, .show-for-large-up, .show-for-large, .hide-for-large-down, .show-for-xlarge-only, .show-for-xlarge-up, .show-for-xxlarge-only, .show-for-xxlarge-up { + display: none !important; } + + .visible-for-small-only, .visible-for-small-up, .visible-for-small, .visible-for-small-down, .hidden-for-medium-only, .hidden-for-medium-up, .hidden-for-medium, .visible-for-medium-down, .hidden-for-large-only, .hidden-for-large-up, .hidden-for-large, .visible-for-large-down, .hidden-for-xlarge-only, .hidden-for-xlarge-up, .hidden-for-xxlarge-only, .hidden-for-xxlarge-up { + position: static !important; + height: auto; + width: auto; + overflow: visible; + clip: auto; } + + .hidden-for-small-only, .hidden-for-small-up, .hidden-for-small, .hidden-for-small-down, .visible-for-medium-only, .visible-for-medium-up, .visible-for-medium, .hidden-for-medium-down, .visible-for-large-only, .visible-for-large-up, .visible-for-large, .hidden-for-large-down, .visible-for-xlarge-only, .visible-for-xlarge-up, .visible-for-xxlarge-only, .visible-for-xxlarge-up { + position: absolute !important; + height: 1px; + width: 1px; + overflow: hidden; + clip: rect(1px, 1px, 1px, 1px); } + + table.show-for-small-only, table.show-for-small-up, table.show-for-small, table.show-for-small-down, table.hide-for-medium-only, table.hide-for-medium-up, table.hide-for-medium, table.show-for-medium-down, table.hide-for-large-only, table.hide-for-large-up, table.hide-for-large, table.show-for-large-down, table.hide-for-xlarge-only, table.hide-for-xlarge-up, table.hide-for-xxlarge-only, table.hide-for-xxlarge-up { + display: table !important; } + + thead.show-for-small-only, thead.show-for-small-up, thead.show-for-small, thead.show-for-small-down, thead.hide-for-medium-only, thead.hide-for-medium-up, thead.hide-for-medium, thead.show-for-medium-down, thead.hide-for-large-only, thead.hide-for-large-up, thead.hide-for-large, thead.show-for-large-down, thead.hide-for-xlarge-only, thead.hide-for-xlarge-up, thead.hide-for-xxlarge-only, thead.hide-for-xxlarge-up { + display: table-header-group !important; } + + tbody.show-for-small-only, tbody.show-for-small-up, tbody.show-for-small, tbody.show-for-small-down, tbody.hide-for-medium-only, tbody.hide-for-medium-up, tbody.hide-for-medium, tbody.show-for-medium-down, tbody.hide-for-large-only, tbody.hide-for-large-up, tbody.hide-for-large, tbody.show-for-large-down, tbody.hide-for-xlarge-only, tbody.hide-for-xlarge-up, tbody.hide-for-xxlarge-only, tbody.hide-for-xxlarge-up { + display: table-row-group !important; } + + tr.show-for-small-only, tr.show-for-small-up, tr.show-for-small, tr.show-for-small-down, tr.hide-for-medium-only, tr.hide-for-medium-up, tr.hide-for-medium, tr.show-for-medium-down, tr.hide-for-large-only, tr.hide-for-large-up, tr.hide-for-large, tr.show-for-large-down, tr.hide-for-xlarge-only, tr.hide-for-xlarge-up, tr.hide-for-xxlarge-only, tr.hide-for-xxlarge-up { + display: table-row !important; } + + th.show-for-small-only, td.show-for-small-only, th.show-for-small-up, td.show-for-small-up, th.show-for-small, td.show-for-small, th.show-for-small-down, td.show-for-small-down, th.hide-for-medium-only, td.hide-for-medium-only, th.hide-for-medium-up, td.hide-for-medium-up, th.hide-for-medium, td.hide-for-medium, th.show-for-medium-down, td.show-for-medium-down, th.hide-for-large-only, td.hide-for-large-only, th.hide-for-large-up, td.hide-for-large-up, th.hide-for-large, td.hide-for-large, th.show-for-large-down, td.show-for-large-down, th.hide-for-xlarge-only, td.hide-for-xlarge-only, th.hide-for-xlarge-up, td.hide-for-xlarge-up, th.hide-for-xxlarge-only, td.hide-for-xxlarge-only, th.hide-for-xxlarge-up, td.hide-for-xxlarge-up { + display: table-cell !important; } } +/* medium displays */ +@media only screen and (min-width: 40.063em) { + .hide-for-small-only, .show-for-small-up, .hide-for-small, .hide-for-small-down, .show-for-medium-only, .show-for-medium-up, .show-for-medium, .show-for-medium-down, .hide-for-large-only, .hide-for-large-up, .hide-for-large, .show-for-large-down, .hide-for-xlarge-only, .hide-for-xlarge-up, .hide-for-xxlarge-only, .hide-for-xxlarge-up { + display: inherit !important; } + + .show-for-small-only, .hide-for-small-up, .show-for-small, .show-for-small-down, .hide-for-medium-only, .hide-for-medium-up, .hide-for-medium, .hide-for-medium-down, .show-for-large-only, .show-for-large-up, .show-for-large, .hide-for-large-down, .show-for-xlarge-only, .show-for-xlarge-up, .show-for-xxlarge-only, .show-for-xxlarge-up { + display: none !important; } + + .hidden-for-small-only, .visible-for-small-up, .hidden-for-small, .hidden-for-small-down, .visible-for-medium-only, .visible-for-medium-up, .visible-for-medium, .visible-for-medium-down, .hidden-for-large-only, .hidden-for-large-up, .hidden-for-large, .visible-for-large-down, .hidden-for-xlarge-only, .hidden-for-xlarge-up, .hidden-for-xxlarge-only, .hidden-for-xxlarge-up { + position: static !important; + height: auto; + width: auto; + overflow: visible; + clip: auto; } + + .visible-for-small-only, .hidden-for-small-up, .visible-for-small, .visible-for-small-down, .hidden-for-medium-only, .hidden-for-medium-up, .hidden-for-medium, .hidden-for-medium-down, .visible-for-large-only, .visible-for-large-up, .visible-for-large, .hidden-for-large-down, .visible-for-xlarge-only, .visible-for-xlarge-up, .visible-for-xxlarge-only, .visible-for-xxlarge-up { + position: absolute !important; + height: 1px; + width: 1px; + overflow: hidden; + clip: rect(1px, 1px, 1px, 1px); } + + table.hide-for-small-only, table.show-for-small-up, table.hide-for-small, table.hide-for-small-down, table.show-for-medium-only, table.show-for-medium-up, table.show-for-medium, table.show-for-medium-down, table.hide-for-large-only, table.hide-for-large-up, table.hide-for-large, table.show-for-large-down, table.hide-for-xlarge-only, table.hide-for-xlarge-up, table.hide-for-xxlarge-only, table.hide-for-xxlarge-up { + display: table !important; } + + thead.hide-for-small-only, thead.show-for-small-up, thead.hide-for-small, thead.hide-for-small-down, thead.show-for-medium-only, thead.show-for-medium-up, thead.show-for-medium, thead.show-for-medium-down, thead.hide-for-large-only, thead.hide-for-large-up, thead.hide-for-large, thead.show-for-large-down, thead.hide-for-xlarge-only, thead.hide-for-xlarge-up, thead.hide-for-xxlarge-only, thead.hide-for-xxlarge-up { + display: table-header-group !important; } + + tbody.hide-for-small-only, tbody.show-for-small-up, tbody.hide-for-small, tbody.hide-for-small-down, tbody.show-for-medium-only, tbody.show-for-medium-up, tbody.show-for-medium, tbody.show-for-medium-down, tbody.hide-for-large-only, tbody.hide-for-large-up, tbody.hide-for-large, tbody.show-for-large-down, tbody.hide-for-xlarge-only, tbody.hide-for-xlarge-up, tbody.hide-for-xxlarge-only, tbody.hide-for-xxlarge-up { + display: table-row-group !important; } + + tr.hide-for-small-only, tr.show-for-small-up, tr.hide-for-small, tr.hide-for-small-down, tr.show-for-medium-only, tr.show-for-medium-up, tr.show-for-medium, tr.show-for-medium-down, tr.hide-for-large-only, tr.hide-for-large-up, tr.hide-for-large, tr.show-for-large-down, tr.hide-for-xlarge-only, tr.hide-for-xlarge-up, tr.hide-for-xxlarge-only, tr.hide-for-xxlarge-up { + display: table-row !important; } + + th.hide-for-small-only, td.hide-for-small-only, th.show-for-small-up, td.show-for-small-up, th.hide-for-small, td.hide-for-small, th.hide-for-small-down, td.hide-for-small-down, th.show-for-medium-only, td.show-for-medium-only, th.show-for-medium-up, td.show-for-medium-up, th.show-for-medium, td.show-for-medium, th.show-for-medium-down, td.show-for-medium-down, th.hide-for-large-only, td.hide-for-large-only, th.hide-for-large-up, td.hide-for-large-up, th.hide-for-large, td.hide-for-large, th.show-for-large-down, td.show-for-large-down, th.hide-for-xlarge-only, td.hide-for-xlarge-only, th.hide-for-xlarge-up, td.hide-for-xlarge-up, th.hide-for-xxlarge-only, td.hide-for-xxlarge-only, th.hide-for-xxlarge-up, td.hide-for-xxlarge-up { + display: table-cell !important; } } +/* large displays */ +@media only screen and (min-width: 64.063em) { + .hide-for-small-only, .show-for-small-up, .hide-for-small, .hide-for-small-down, .hide-for-medium-only, .show-for-medium-up, .hide-for-medium, .hide-for-medium-down, .show-for-large-only, .show-for-large-up, .show-for-large, .show-for-large-down, .hide-for-xlarge-only, .hide-for-xlarge-up, .hide-for-xxlarge-only, .hide-for-xxlarge-up { + display: inherit !important; } + + .show-for-small-only, .hide-for-small-up, .show-for-small, .show-for-small-down, .show-for-medium-only, .hide-for-medium-up, .show-for-medium, .show-for-medium-down, .hide-for-large-only, .hide-for-large-up, .hide-for-large, .hide-for-large-down, .show-for-xlarge-only, .show-for-xlarge-up, .show-for-xxlarge-only, .show-for-xxlarge-up { + display: none !important; } + + .hidden-for-small-only, .visible-for-small-up, .hidden-for-small, .hidden-for-small-down, .hidden-for-medium-only, .visible-for-medium-up, .hidden-for-medium, .hidden-for-medium-down, .visible-for-large-only, .visible-for-large-up, .visible-for-large, .visible-for-large-down, .hidden-for-xlarge-only, .hidden-for-xlarge-up, .hidden-for-xxlarge-only, .hidden-for-xxlarge-up { + position: static !important; + height: auto; + width: auto; + overflow: visible; + clip: auto; } + + .visible-for-small-only, .hidden-for-small-up, .visible-for-small, .visible-for-small-down, .visible-for-medium-only, .hidden-for-medium-up, .visible-for-medium, .visible-for-medium-down, .hidden-for-large-only, .hidden-for-large-up, .hidden-for-large, .hidden-for-large-down, .visible-for-xlarge-only, .visible-for-xlarge-up, .visible-for-xxlarge-only, .visible-for-xxlarge-up { + position: absolute !important; + height: 1px; + width: 1px; + overflow: hidden; + clip: rect(1px, 1px, 1px, 1px); } + + table.hide-for-small-only, table.show-for-small-up, table.hide-for-small, table.hide-for-small-down, table.hide-for-medium-only, table.show-for-medium-up, table.hide-for-medium, table.hide-for-medium-down, table.show-for-large-only, table.show-for-large-up, table.show-for-large, table.show-for-large-down, table.hide-for-xlarge-only, table.hide-for-xlarge-up, table.hide-for-xxlarge-only, table.hide-for-xxlarge-up { + display: table !important; } + + thead.hide-for-small-only, thead.show-for-small-up, thead.hide-for-small, thead.hide-for-small-down, thead.hide-for-medium-only, thead.show-for-medium-up, thead.hide-for-medium, thead.hide-for-medium-down, thead.show-for-large-only, thead.show-for-large-up, thead.show-for-large, thead.show-for-large-down, thead.hide-for-xlarge-only, thead.hide-for-xlarge-up, thead.hide-for-xxlarge-only, thead.hide-for-xxlarge-up { + display: table-header-group !important; } + + tbody.hide-for-small-only, tbody.show-for-small-up, tbody.hide-for-small, tbody.hide-for-small-down, tbody.hide-for-medium-only, tbody.show-for-medium-up, tbody.hide-for-medium, tbody.hide-for-medium-down, tbody.show-for-large-only, tbody.show-for-large-up, tbody.show-for-large, tbody.show-for-large-down, tbody.hide-for-xlarge-only, tbody.hide-for-xlarge-up, tbody.hide-for-xxlarge-only, tbody.hide-for-xxlarge-up { + display: table-row-group !important; } + + tr.hide-for-small-only, tr.show-for-small-up, tr.hide-for-small, tr.hide-for-small-down, tr.hide-for-medium-only, tr.show-for-medium-up, tr.hide-for-medium, tr.hide-for-medium-down, tr.show-for-large-only, tr.show-for-large-up, tr.show-for-large, tr.show-for-large-down, tr.hide-for-xlarge-only, tr.hide-for-xlarge-up, tr.hide-for-xxlarge-only, tr.hide-for-xxlarge-up { + display: table-row !important; } + + th.hide-for-small-only, td.hide-for-small-only, th.show-for-small-up, td.show-for-small-up, th.hide-for-small, td.hide-for-small, th.hide-for-small-down, td.hide-for-small-down, th.hide-for-medium-only, td.hide-for-medium-only, th.show-for-medium-up, td.show-for-medium-up, th.hide-for-medium, td.hide-for-medium, th.hide-for-medium-down, td.hide-for-medium-down, th.show-for-large-only, td.show-for-large-only, th.show-for-large-up, td.show-for-large-up, th.show-for-large, td.show-for-large, th.show-for-large-down, td.show-for-large-down, th.hide-for-xlarge-only, td.hide-for-xlarge-only, th.hide-for-xlarge-up, td.hide-for-xlarge-up, th.hide-for-xxlarge-only, td.hide-for-xxlarge-only, th.hide-for-xxlarge-up, td.hide-for-xxlarge-up { + display: table-cell !important; } } +/* xlarge displays */ +@media only screen and (min-width: 90.063em) { + .hide-for-small-only, .show-for-small-up, .hide-for-small, .hide-for-small-down, .hide-for-medium-only, .show-for-medium-up, .hide-for-medium, .hide-for-medium-down, .hide-for-large-only, .show-for-large-up, .hide-for-large, .hide-for-large-down, .show-for-xlarge-only, .show-for-xlarge-up, .hide-for-xxlarge-only, .hide-for-xxlarge-up { + display: inherit !important; } + + .show-for-small-only, .hide-for-small-up, .show-for-small, .show-for-small-down, .show-for-medium-only, .hide-for-medium-up, .show-for-medium, .show-for-medium-down, .show-for-large-only, .hide-for-large-up, .show-for-large, .show-for-large-down, .hide-for-xlarge-only, .hide-for-xlarge-up, .show-for-xxlarge-only, .show-for-xxlarge-up { + display: none !important; } + + .hidden-for-small-only, .visible-for-small-up, .hidden-for-small, .hidden-for-small-down, .hidden-for-medium-only, .visible-for-medium-up, .hidden-for-medium, .hidden-for-medium-down, .hidden-for-large-only, .visible-for-large-up, .hidden-for-large, .hidden-for-large-down, .visible-for-xlarge-only, .visible-for-xlarge-up, .hidden-for-xxlarge-only, .hidden-for-xxlarge-up { + position: static !important; + height: auto; + width: auto; + overflow: visible; + clip: auto; } + + .visible-for-small-only, .hidden-for-small-up, .visible-for-small, .visible-for-small-down, .visible-for-medium-only, .hidden-for-medium-up, .visible-for-medium, .visible-for-medium-down, .visible-for-large-only, .hidden-for-large-up, .visible-for-large, .visible-for-large-down, .hidden-for-xlarge-only, .hidden-for-xlarge-up, .visible-for-xxlarge-only, .visible-for-xxlarge-up { + position: absolute !important; + height: 1px; + width: 1px; + overflow: hidden; + clip: rect(1px, 1px, 1px, 1px); } + + table.hide-for-small-only, table.show-for-small-up, table.hide-for-small, table.hide-for-small-down, table.hide-for-medium-only, table.show-for-medium-up, table.hide-for-medium, table.hide-for-medium-down, table.hide-for-large-only, table.show-for-large-up, table.hide-for-large, table.hide-for-large-down, table.show-for-xlarge-only, table.show-for-xlarge-up, table.hide-for-xxlarge-only, table.hide-for-xxlarge-up { + display: table !important; } + + thead.hide-for-small-only, thead.show-for-small-up, thead.hide-for-small, thead.hide-for-small-down, thead.hide-for-medium-only, thead.show-for-medium-up, thead.hide-for-medium, thead.hide-for-medium-down, thead.hide-for-large-only, thead.show-for-large-up, thead.hide-for-large, thead.hide-for-large-down, thead.show-for-xlarge-only, thead.show-for-xlarge-up, thead.hide-for-xxlarge-only, thead.hide-for-xxlarge-up { + display: table-header-group !important; } + + tbody.hide-for-small-only, tbody.show-for-small-up, tbody.hide-for-small, tbody.hide-for-small-down, tbody.hide-for-medium-only, tbody.show-for-medium-up, tbody.hide-for-medium, tbody.hide-for-medium-down, tbody.hide-for-large-only, tbody.show-for-large-up, tbody.hide-for-large, tbody.hide-for-large-down, tbody.show-for-xlarge-only, tbody.show-for-xlarge-up, tbody.hide-for-xxlarge-only, tbody.hide-for-xxlarge-up { + display: table-row-group !important; } + + tr.hide-for-small-only, tr.show-for-small-up, tr.hide-for-small, tr.hide-for-small-down, tr.hide-for-medium-only, tr.show-for-medium-up, tr.hide-for-medium, tr.hide-for-medium-down, tr.hide-for-large-only, tr.show-for-large-up, tr.hide-for-large, tr.hide-for-large-down, tr.show-for-xlarge-only, tr.show-for-xlarge-up, tr.hide-for-xxlarge-only, tr.hide-for-xxlarge-up { + display: table-row !important; } + + th.hide-for-small-only, td.hide-for-small-only, th.show-for-small-up, td.show-for-small-up, th.hide-for-small, td.hide-for-small, th.hide-for-small-down, td.hide-for-small-down, th.hide-for-medium-only, td.hide-for-medium-only, th.show-for-medium-up, td.show-for-medium-up, th.hide-for-medium, td.hide-for-medium, th.hide-for-medium-down, td.hide-for-medium-down, th.hide-for-large-only, td.hide-for-large-only, th.show-for-large-up, td.show-for-large-up, th.hide-for-large, td.hide-for-large, th.hide-for-large-down, td.hide-for-large-down, th.show-for-xlarge-only, td.show-for-xlarge-only, th.show-for-xlarge-up, td.show-for-xlarge-up, th.hide-for-xxlarge-only, td.hide-for-xxlarge-only, th.hide-for-xxlarge-up, td.hide-for-xxlarge-up { + display: table-cell !important; } } +/* xxlarge displays */ +@media only screen and (min-width: 120.063em) { + .hide-for-small-only, .show-for-small-up, .hide-for-small, .hide-for-small-down, .hide-for-medium-only, .show-for-medium-up, .hide-for-medium, .hide-for-medium-down, .hide-for-large-only, .show-for-large-up, .hide-for-large, .hide-for-large-down, .hide-for-xlarge-only, .show-for-xlarge-up, .show-for-xxlarge-only, .show-for-xxlarge-up { + display: inherit !important; } + + .show-for-small-only, .hide-for-small-up, .show-for-small, .show-for-small-down, .show-for-medium-only, .hide-for-medium-up, .show-for-medium, .show-for-medium-down, .show-for-large-only, .hide-for-large-up, .show-for-large, .show-for-large-down, .show-for-xlarge-only, .hide-for-xlarge-up, .hide-for-xxlarge-only, .hide-for-xxlarge-up { + display: none !important; } + + .hidden-for-small-only, .visible-for-small-up, .hidden-for-small, .hidden-for-small-down, .hidden-for-medium-only, .visible-for-medium-up, .hidden-for-medium, .hidden-for-medium-down, .hidden-for-large-only, .visible-for-large-up, .hidden-for-large, .hidden-for-large-down, .hidden-for-xlarge-only, .visible-for-xlarge-up, .visible-for-xxlarge-only, .visible-for-xxlarge-up { + position: static !important; + height: auto; + width: auto; + overflow: visible; + clip: auto; } + + .visible-for-small-only, .hidden-for-small-up, .visible-for-small, .visible-for-small-down, .visible-for-medium-only, .hidden-for-medium-up, .visible-for-medium, .visible-for-medium-down, .visible-for-large-only, .hidden-for-large-up, .visible-for-large, .visible-for-large-down, .visible-for-xlarge-only, .hidden-for-xlarge-up, .hidden-for-xxlarge-only, .hidden-for-xxlarge-up { + position: absolute !important; + height: 1px; + width: 1px; + overflow: hidden; + clip: rect(1px, 1px, 1px, 1px); } + + table.hide-for-small-only, table.show-for-small-up, table.hide-for-small, table.hide-for-small-down, table.hide-for-medium-only, table.show-for-medium-up, table.hide-for-medium, table.hide-for-medium-down, table.hide-for-large-only, table.show-for-large-up, table.hide-for-large, table.hide-for-large-down, table.hide-for-xlarge-only, table.show-for-xlarge-up, table.show-for-xxlarge-only, table.show-for-xxlarge-up { + display: table !important; } + + thead.hide-for-small-only, thead.show-for-small-up, thead.hide-for-small, thead.hide-for-small-down, thead.hide-for-medium-only, thead.show-for-medium-up, thead.hide-for-medium, thead.hide-for-medium-down, thead.hide-for-large-only, thead.show-for-large-up, thead.hide-for-large, thead.hide-for-large-down, thead.hide-for-xlarge-only, thead.show-for-xlarge-up, thead.show-for-xxlarge-only, thead.show-for-xxlarge-up { + display: table-header-group !important; } + + tbody.hide-for-small-only, tbody.show-for-small-up, tbody.hide-for-small, tbody.hide-for-small-down, tbody.hide-for-medium-only, tbody.show-for-medium-up, tbody.hide-for-medium, tbody.hide-for-medium-down, tbody.hide-for-large-only, tbody.show-for-large-up, tbody.hide-for-large, tbody.hide-for-large-down, tbody.hide-for-xlarge-only, tbody.show-for-xlarge-up, tbody.show-for-xxlarge-only, tbody.show-for-xxlarge-up { + display: table-row-group !important; } + + tr.hide-for-small-only, tr.show-for-small-up, tr.hide-for-small, tr.hide-for-small-down, tr.hide-for-medium-only, tr.show-for-medium-up, tr.hide-for-medium, tr.hide-for-medium-down, tr.hide-for-large-only, tr.show-for-large-up, tr.hide-for-large, tr.hide-for-large-down, tr.hide-for-xlarge-only, tr.show-for-xlarge-up, tr.show-for-xxlarge-only, tr.show-for-xxlarge-up { + display: table-row !important; } + + th.hide-for-small-only, td.hide-for-small-only, th.show-for-small-up, td.show-for-small-up, th.hide-for-small, td.hide-for-small, th.hide-for-small-down, td.hide-for-small-down, th.hide-for-medium-only, td.hide-for-medium-only, th.show-for-medium-up, td.show-for-medium-up, th.hide-for-medium, td.hide-for-medium, th.hide-for-medium-down, td.hide-for-medium-down, th.hide-for-large-only, td.hide-for-large-only, th.show-for-large-up, td.show-for-large-up, th.hide-for-large, td.hide-for-large, th.hide-for-large-down, td.hide-for-large-down, th.hide-for-xlarge-only, td.hide-for-xlarge-only, th.show-for-xlarge-up, td.show-for-xlarge-up, th.show-for-xxlarge-only, td.show-for-xxlarge-only, th.show-for-xxlarge-up, td.show-for-xxlarge-up { + display: table-cell !important; } } +/* Orientation targeting */ +.show-for-landscape, +.hide-for-portrait { + display: inherit !important; } + +.hide-for-landscape, +.show-for-portrait { + display: none !important; } + +/* Specific visibility for tables */ +table.hide-for-landscape, table.show-for-portrait { + display: table !important; } + +thead.hide-for-landscape, thead.show-for-portrait { + display: table-header-group !important; } + +tbody.hide-for-landscape, tbody.show-for-portrait { + display: table-row-group !important; } + +tr.hide-for-landscape, tr.show-for-portrait { + display: table-row !important; } + +td.hide-for-landscape, td.show-for-portrait, +th.hide-for-landscape, +th.show-for-portrait { + display: table-cell !important; } + +@media only screen and (orientation: landscape) { + .show-for-landscape, + .hide-for-portrait { + display: inherit !important; } + + .hide-for-landscape, + .show-for-portrait { + display: none !important; } + + /* Specific visibility for tables */ + table.show-for-landscape, table.hide-for-portrait { + display: table !important; } + + thead.show-for-landscape, thead.hide-for-portrait { + display: table-header-group !important; } + + tbody.show-for-landscape, tbody.hide-for-portrait { + display: table-row-group !important; } + + tr.show-for-landscape, tr.hide-for-portrait { + display: table-row !important; } + + td.show-for-landscape, td.hide-for-portrait, + th.show-for-landscape, + th.hide-for-portrait { + display: table-cell !important; } } +@media only screen and (orientation: portrait) { + .show-for-portrait, + .hide-for-landscape { + display: inherit !important; } + + .hide-for-portrait, + .show-for-landscape { + display: none !important; } + + /* Specific visibility for tables */ + table.show-for-portrait, table.hide-for-landscape { + display: table !important; } + + thead.show-for-portrait, thead.hide-for-landscape { + display: table-header-group !important; } + + tbody.show-for-portrait, tbody.hide-for-landscape { + display: table-row-group !important; } + + tr.show-for-portrait, tr.hide-for-landscape { + display: table-row !important; } + + td.show-for-portrait, td.hide-for-landscape, + th.show-for-portrait, + th.hide-for-landscape { + display: table-cell !important; } } +/* Touch-enabled device targeting */ +.show-for-touch { + display: none !important; } + +.hide-for-touch { + display: inherit !important; } + +.touch .show-for-touch { + display: inherit !important; } + +.touch .hide-for-touch { + display: none !important; } + +/* Specific visibility for tables */ +table.hide-for-touch { + display: table !important; } + +.touch table.show-for-touch { + display: table !important; } + +thead.hide-for-touch { + display: table-header-group !important; } + +.touch thead.show-for-touch { + display: table-header-group !important; } + +tbody.hide-for-touch { + display: table-row-group !important; } + +.touch tbody.show-for-touch { + display: table-row-group !important; } + +tr.hide-for-touch { + display: table-row !important; } + +.touch tr.show-for-touch { + display: table-row !important; } + +td.hide-for-touch { + display: table-cell !important; } + +.touch td.show-for-touch { + display: table-cell !important; } + +th.hide-for-touch { + display: table-cell !important; } + +.touch th.show-for-touch { + display: table-cell !important; } + +/* Print visibility */ +@media print { + .show-for-print { + display: block; } + + .hide-for-print { + display: none; } + + table.show-for-print { + display: table !important; } + + thead.show-for-print { + display: table-header-group !important; } + + tbody.show-for-print { + display: table-row-group !important; } + + tr.show-for-print 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a/tracking/viewers/pv/css/qunit.css b/tracking/viewers/pv/css/qunit.css new file mode 100644 index 000000000..708d16ad6 --- /dev/null +++ b/tracking/viewers/pv/css/qunit.css @@ -0,0 +1,281 @@ + +/*! + * QUnit 1.17.1 + * http://qunitjs.com/ + * + * Copyright jQuery Foundation and other contributors + * Released under the MIT license + * http://jquery.org/license + * + * Date: 2015-01-20T19:39Z + */ + +/** Font Family and Sizes */ + +#qunit-tests, #qunit-header, #qunit-banner, #qunit-testrunner-toolbar, #qunit-userAgent, #qunit-testresult { + font-family: "Helvetica Neue Light", "HelveticaNeue-Light", "Helvetica Neue", Calibri, Helvetica, Arial, sans-serif; +} + +#qunit-testrunner-toolbar, #qunit-userAgent, #qunit-testresult, #qunit-tests li { font-size: small; } +#qunit-tests { font-size: smaller; } + + +/** Resets */ + +#qunit-tests, #qunit-header, #qunit-banner, #qunit-userAgent, #qunit-testresult, #qunit-modulefilter { + margin: 0; + padding: 0; +} + + +/** Header */ + +#qunit-header { + padding: 0.5em 0 0.5em 1em; + + color: #8699A4; + background-color: #0D3349; + + font-size: 1.5em; + line-height: 1em; + font-weight: 400; + + border-radius: 5px 5px 0 0; +} + +#qunit-header a { + text-decoration: none; + color: #C2CCD1; +} + +#qunit-header a:hover, +#qunit-header a:focus { + color: #FFF; +} + +#qunit-testrunner-toolbar label { + display: inline-block; + padding: 0 0.5em 0 0.1em; +} + +#qunit-banner { + height: 5px; +} + +#qunit-testrunner-toolbar { + padding: 0.5em 1em 0.5em 1em; + color: #5E740B; + background-color: #EEE; + overflow: hidden; +} + +#qunit-userAgent { + padding: 0.5em 1em 0.5em 1em; + background-color: #2B81AF; + color: #FFF; + text-shadow: rgba(0, 0, 0, 0.5) 2px 2px 1px; +} + +#qunit-modulefilter-container { + float: right; + padding: 0.2em; +} + +.qunit-url-config { + display: inline-block; + padding: 0.1em; +} + +.qunit-filter { + display: block; + float: right; + margin-left: 1em; +} + +/** Tests: Pass/Fail */ + +#qunit-tests { + list-style-position: inside; +} + +#qunit-tests li { + padding: 0.4em 1em 0.4em 1em; + border-bottom: 1px solid #FFF; + list-style-position: inside; +} + +#qunit-tests > li { + display: none; +} + +#qunit-tests li.running, +#qunit-tests li.pass, +#qunit-tests li.fail, +#qunit-tests li.skipped { + display: list-item; +} + +#qunit-tests.hidepass li.running, +#qunit-tests.hidepass li.pass { + display: none; +} + +#qunit-tests li strong { + cursor: pointer; +} + +#qunit-tests li.skipped strong { + cursor: default; +} + +#qunit-tests li a { + padding: 0.5em; + color: #C2CCD1; + text-decoration: none; +} +#qunit-tests li a:hover, +#qunit-tests li a:focus { + color: #000; +} + +#qunit-tests li .runtime { + float: right; + font-size: smaller; +} + +.qunit-assert-list { + margin-top: 0.5em; + padding: 0.5em; + + background-color: #FFF; + + border-radius: 5px; +} + +.qunit-collapsed { + display: none; +} + +#qunit-tests table { + border-collapse: collapse; + margin-top: 0.2em; +} + +#qunit-tests th { + text-align: right; + vertical-align: top; + padding: 0 0.5em 0 0; +} + +#qunit-tests td { + vertical-align: top; +} + +#qunit-tests pre { + margin: 0; + white-space: pre-wrap; + word-wrap: break-word; +} + +#qunit-tests del { + background-color: #E0F2BE; + color: #374E0C; + text-decoration: none; +} + +#qunit-tests ins { + background-color: #FFCACA; + color: #500; + text-decoration: none; +} + +/*** Test Counts */ + +#qunit-tests b.counts { color: #000; } +#qunit-tests b.passed { color: #5E740B; } +#qunit-tests b.failed { color: #710909; } + +#qunit-tests li li { + padding: 5px; + background-color: #FFF; + border-bottom: none; + list-style-position: inside; +} + +/*** Passing Styles */ + +#qunit-tests li li.pass { + color: #3C510C; + background-color: #FFF; + border-left: 10px solid #C6E746; +} + +#qunit-tests .pass { color: #528CE0; background-color: #D2E0E6; } +#qunit-tests .pass .test-name { color: #366097; } + +#qunit-tests .pass .test-actual, +#qunit-tests .pass .test-expected { color: #999; } + +#qunit-banner.qunit-pass { background-color: #C6E746; } + +/*** Failing Styles */ + +#qunit-tests li li.fail { + color: #710909; + background-color: #FFF; + border-left: 10px solid #EE5757; + white-space: pre; +} + +#qunit-tests > li:last-child { + border-radius: 0 0 5px 5px; +} + +#qunit-tests .fail { color: #000; background-color: #EE5757; } +#qunit-tests .fail .test-name, +#qunit-tests .fail .module-name { color: #000; } + +#qunit-tests .fail .test-actual { color: #EE5757; } +#qunit-tests .fail .test-expected { color: #008000; } + +#qunit-banner.qunit-fail { background-color: #EE5757; } + +/*** Skipped tests */ + +#qunit-tests .skipped { + background-color: #EBECE9; +} + +#qunit-tests .qunit-skipped-label { + background-color: #F4FF77; + display: inline-block; + font-style: normal; + color: #366097; + line-height: 1.8em; + padding: 0 0.5em; + margin: -0.4em 0.4em -0.4em 0; +} + +/** Result */ + +#qunit-testresult { + padding: 0.5em 1em 0.5em 1em; + + color: #2B81AF; + background-color: #D2E0E6; + + border-bottom: 1px solid #FFF; +} +#qunit-testresult .module-name { + font-weight: 700; +} + +/** Fixture */ + +#qunit-fixture { + position: absolute; + top: -10000px; + left: -10000px; + width: 1000px; + height: 1000px; +} diff --git a/tracking/viewers/pv/demo.js b/tracking/viewers/pv/demo.js new file mode 100644 index 000000000..a3302c1a0 --- /dev/null +++ b/tracking/viewers/pv/demo.js @@ -0,0 +1,328 @@ + +requirejs.config({ + 'baseUrl' : 'src' , + // uncomment the following commented-out block to test the contatenated, + // minified PV version. Grunt needs to be run before for this to work. + /* + paths : { + pv : '/js/bio-pv.min' + } + */ +}); + + +// on purpose outside of the require block, so we can inspect the viewer object +// from the JavaScript console. +var viewer; + +var pv; +require(['pv'], function(PV) { + +pv = PV; +var io = pv.io; +var viewpoint = pv.viewpoint; +var color = pv.color; + +var structure; + +function points() { + viewer.clear(); + var go = viewer.points('structure', structure, { + color: color.byResidueProp('num'), + showRelated : '1' }); +} + +function lines() { + viewer.clear(); + var go = viewer.lines('structure', structure, { + color: color.byResidueProp('num'), + showRelated : '1' }); + go.setSelection(go.select({rnumRange : [15,20]})); + go.setOpacity(0.5, go.select({rnumRange : [25,30]})); +} + +function cartoon() { + viewer.clear(); + var go = viewer.cartoon('structure', structure, { + color : color.ssSuccession(), showRelated : '1', + }); + var rotation = viewpoint.principalAxes(go); + //go.setSelection(go.select({rtype : 'C' })); + viewer.setRotation(rotation) +} + +function lineTrace() { + viewer.clear(); + var go = viewer.lineTrace('structure', structure, { showRelated : '1' }); +} + +function spheres() { + viewer.clear(); + var go = viewer.spheres('structure', structure, { showRelated : '1' }); +} + +function sline() { + viewer.clear(); + var go = viewer.sline('structure', structure, + { color : color.uniform('red'), showRelated : '1'}); +} + +function tube() { + viewer.clear(); + var go = viewer.tube('structure', structure); + viewer.lines('structure.ca', structure.select({aname :'CA'}), + { color: color.uniform('blue'), lineWidth : 1, + showRelated : '1' }); +} + +function trace() { + viewer.clear(); + var go = viewer.trace('structure', structure, { showRelated : '1' }); + +} +function ballsAndSticks() { + viewer.clear(); + var go = viewer.ballsAndSticks('structure', structure, { showRelated : '1' }); +} + +function preset() { + viewer.clear(); + var ligand = structure.select({'rnames' : ['SAH', 'RVP']}); + viewer.spheres('structure.ligand', ligand, { + }); + + viewer.cartoon('structure.protein', structure, { boundingSpheres: false }); +} + +function load(pdb_id) { + $('#traj-widget').hide(); + + $.ajax({ url : 'pdbs/'+pdb_id+'.pdb', success : function(data) { + structure = io.pdb(data); + //mol.assignHelixSheet(structure); + preset(); + + //viewer.spheres('helices', structure.select({ aname : 'CA', rtype : 'C'}), { color : color.uniform('red'), radiusMultiplier : 0.3, showRelated : '1' }); + viewer.autoZoom(); + }}); +} + +function trajectory() { + + viewer.clear(); + $('#traj-widget').show(); + var theTimeOut; + var intervalFunc; + $('#traj-button').click(function() { + var t = $('#traj-button').text(); + if (t === 'Start') { + $('#traj-button').text('Stop'); + theTimeOut = setInterval(intervalFunc, 1000.0/15.0); + } else { + clearInterval(theTimeOut); + $('#traj-button').text('Start'); + } + }); + function getParameterByName(name, url) { + if (!url) url = window.location.href; + name = name.replace(/[\[\]]/g, "\\$&"); + var regex = new RegExp("[?&]" + name + "(=([^&#]*)|&|#|$)"), + results = regex.exec(url); + if (!results) return null; + if (!results[2]) return ''; + return decodeURIComponent(results[2].replace(/\+/g, " ")); + } + + var pdb = getParameterByName("pdb"); + + + pv.io.fetchPdb(pdb, function(s) { + structure = s; + viewer.ballsAndSticks('trajectory', structure); + viewer.autoZoom(); + + /*pv.traj.fetchDcd('pdbs/trj.dcd', s, function(cg) { + var frameId = 0; + intervalFunc = function() { + cg.useFrame(frameId); + frameId += 1; + frameId = frameId % 32; + viewer.clear(); + viewer.ballsAndSticks('trajectory', structure); + }; + });*/ + }); +} + +function kinase() { + load('1ake'); +} + +function crambin() { + load('1crn'); +} + +function transferase() { + load('1r6a'); +} + +function telethonin() { load('2f8v'); } + +function porin() { + load('2por'); +} +function longHelices() { + load('4C46'); +} + +function ssSuccession() { + viewer.forEach(function(go) { + go.colorBy(color.ssSuccession()); + }); + viewer.requestRedraw(); +} + +function uniform() { + viewer.forEach(function(go) { + go.colorBy(color.uniform([0,1,0])); + }); + viewer.requestRedraw(); +} +function byElement() { + viewer.forEach(function(go) { + go.colorBy(color.byElement()); + }); + viewer.requestRedraw(); +} + +function ss() { + viewer.forEach(function(go) { + go.colorBy(color.bySS()); + }); + viewer.requestRedraw(); +} + +function proInRed() { + viewer.forEach(function(go) { + go.colorBy(color.uniform('red'), go.select({rname : 'PRO'})); + }); + viewer.requestRedraw(); +} +function rainbow() { + viewer.forEach(function(go) { + go.colorBy(color.rainbow()); + }); + viewer.requestRedraw(); +} + +function byChain() { + viewer.forEach(function(go) { + go.colorBy(color.byChain()); + }); + viewer.requestRedraw(); +} + +function polymerase() { + load('4UBB'); +}; + + +function phong() { + viewer.options('style', 'phong'); + viewer.requestRedraw(); +} + +function hemilight() { + viewer.options('style', 'hemilight'); + viewer.requestRedraw(); +} + + +function cross() { + viewer.clear(); + var go = viewer.customMesh('custom'); + + go.addSphere([-10, 0, 0], 2, { userData : 'one' } ); + go.addSphere([10, 0, 0], 2, { userData : 'two' } ); + go.addSphere([0, -10, 0], 2, { userData : 'three' } ); + go.addSphere([0, 10, 0], 2, { userData : 'four' } ); + go.addSphere([0, 0, -10], 2, { userData : 'five' } ); + go.addSphere([0, 0, 10], 2, { userData : 'six' } ); + viewer.setCenter([0,0,0], 2, { userData : 'seven' } ); + viewer.setZoom(20); +} + +function ensemble() { + $('#traj-widget').hide(); + io.fetchPdb('pdbs/1nmr.pdb', function(structures) { + viewer.clear() + structure = structures[i]; + for (var i = 0; i < structures.length; ++i) { + go = viewer.cartoon('ensemble_'+ i, structures[i]); + } + viewer.autoZoom(); + }, { loadAllModels : true } ); +} +$(document).foundation(); +$('#1r6a').click(transferase); +$('#1crn').click(crambin); +$('#1ake').click(kinase); +$('#4ubb').click(polymerase); +$('#4c46').click(longHelices); +$('#2f8v').click(telethonin); +$('#ensemble').click(ensemble); +$('#style-cartoon').click(cartoon); +$('#style-tube').click(tube); +$('#style-line-trace').click(lineTrace); +$('#style-sline').click(sline); +$('#style-trace').click(trace); +$('#style-lines').click(lines); +$('#style-balls-and-sticks').click(ballsAndSticks); +$('#style-points').click(points); +$('#style-spheres').click(spheres); +$('#color-uniform').click(uniform); +$('#color-element').click(byElement); +$('#color-chain').click(byChain); +$('#color-ss-succ').click(ssSuccession); +$('#color-ss').click(ss); +$('#phong').click(phong); +$('#trajectory').click(trajectory); +$('#hemilight').click(hemilight); +$('#color-rainbow').click(rainbow); +$('#load-from-pdb').change(function() { + var pdbId = this.value; + this.value = ''; + this.blur(); + var url = 'http://www.rcsb.org/pdb/files/' + pdbId + '.pdb'; + console.log(url) + io.fetchPdb(url, function(s) { + + structure = s; + cartoon(); + viewer.autoZoom(); + }); +}); + +viewer = pv.Viewer(document.getElementById('viewer'), { + width : 'auto', height: 'auto', antialias : true, fog : true, + outline : true, quality : 'high', style : 'phong', + selectionColor : 'white', transparency : 'screendoor', + background : '#ccc', animateTime: 500, doubleClick : null +}); + +viewer.addListener('viewerReady', trajectory); + +viewer.on('doubleClick', function(picked) { + console.log(picked.connectivity()); + if (picked === null) { + viewer.fitTo(structure); + return; + } + viewer.setCenter(picked.pos(), 500); +}); + +window.addEventListener('resize', function() { + viewer.fitParent(); +}); + +}); diff --git a/tracking/viewers/pv/doc/Makefile b/tracking/viewers/pv/doc/Makefile new file mode 100644 index 000000000..f7bcfd835 --- /dev/null +++ b/tracking/viewers/pv/doc/Makefile @@ -0,0 +1,177 @@ +# Makefile for Sphinx documentation +# + +# You can set these variables from the command line. +SPHINXOPTS = +SPHINXBUILD = sphinx-build +PAPER = +BUILDDIR = _build + +# User-friendly check for sphinx-build +ifeq ($(shell which $(SPHINXBUILD) >/dev/null 2>&1; echo $$?), 1) +$(error The '$(SPHINXBUILD)' command was not found. Make sure you have Sphinx installed, then set the SPHINXBUILD environment variable to point to the full path of the '$(SPHINXBUILD)' executable. Alternatively you can add the directory with the executable to your PATH. If you don't have Sphinx installed, grab it from http://sphinx-doc.org/) +endif + +# Internal variables. +PAPEROPT_a4 = -D latex_paper_size=a4 +PAPEROPT_letter = -D latex_paper_size=letter +ALLSPHINXOPTS = -d $(BUILDDIR)/doctrees $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) . +# the i18n builder cannot share the environment and doctrees with the others +I18NSPHINXOPTS = $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) . + +.PHONY: help clean html dirhtml singlehtml pickle json htmlhelp qthelp devhelp epub latex latexpdf text man changes linkcheck doctest gettext + +help: + @echo "Please use \`make ' where is one of" + @echo " html to make standalone HTML files" + @echo " dirhtml to make HTML files named index.html in directories" + @echo " singlehtml to make a single large HTML file" + @echo " pickle to make pickle files" + @echo " json to make JSON files" + @echo " htmlhelp to make HTML files and a HTML help project" + @echo " qthelp to make HTML files and a qthelp project" + @echo " devhelp to make HTML files and a Devhelp project" + @echo " epub to make an epub" + @echo " latex to make LaTeX files, you can set PAPER=a4 or PAPER=letter" + @echo " latexpdf to make LaTeX files and run them through pdflatex" + @echo " latexpdfja to make LaTeX files and run them through platex/dvipdfmx" + @echo " text to make text files" + @echo " man to make manual pages" + @echo " texinfo to make Texinfo files" + @echo " info to make Texinfo files and run them through makeinfo" + @echo " gettext to make PO message catalogs" + @echo " changes to make an overview of all changed/added/deprecated items" + @echo " xml to make Docutils-native XML files" + @echo " pseudoxml to make pseudoxml-XML files for display purposes" + @echo " linkcheck to check all external links for integrity" + @echo " doctest to run all doctests embedded in the documentation (if enabled)" + +clean: + rm -rf $(BUILDDIR)/* + +html: + $(SPHINXBUILD) -b html $(ALLSPHINXOPTS) $(BUILDDIR)/html + @echo + @echo "Build finished. The HTML pages are in $(BUILDDIR)/html." + +dirhtml: + $(SPHINXBUILD) -b dirhtml $(ALLSPHINXOPTS) $(BUILDDIR)/dirhtml + @echo + @echo "Build finished. The HTML pages are in $(BUILDDIR)/dirhtml." + +singlehtml: + $(SPHINXBUILD) -b singlehtml $(ALLSPHINXOPTS) $(BUILDDIR)/singlehtml + @echo + @echo "Build finished. The HTML page is in $(BUILDDIR)/singlehtml." + +pickle: + $(SPHINXBUILD) -b pickle $(ALLSPHINXOPTS) $(BUILDDIR)/pickle + @echo + @echo "Build finished; now you can process the pickle files." + +json: + $(SPHINXBUILD) -b json $(ALLSPHINXOPTS) $(BUILDDIR)/json + @echo + @echo "Build finished; now you can process the JSON files." + +htmlhelp: + $(SPHINXBUILD) -b htmlhelp $(ALLSPHINXOPTS) $(BUILDDIR)/htmlhelp + @echo + @echo "Build finished; now you can run HTML Help Workshop with the" \ + ".hhp project file in $(BUILDDIR)/htmlhelp." + +qthelp: + $(SPHINXBUILD) -b qthelp $(ALLSPHINXOPTS) $(BUILDDIR)/qthelp + @echo + @echo "Build finished; now you can run "qcollectiongenerator" with the" \ + ".qhcp project file in $(BUILDDIR)/qthelp, like this:" + @echo "# qcollectiongenerator $(BUILDDIR)/qthelp/pv.qhcp" + @echo "To view the help file:" + @echo "# assistant -collectionFile $(BUILDDIR)/qthelp/pv.qhc" + +devhelp: + $(SPHINXBUILD) -b devhelp $(ALLSPHINXOPTS) $(BUILDDIR)/devhelp + @echo + @echo "Build finished." + @echo "To view the help file:" + @echo "# mkdir -p $$HOME/.local/share/devhelp/pv" + @echo "# ln -s $(BUILDDIR)/devhelp $$HOME/.local/share/devhelp/pv" + @echo "# devhelp" + +epub: + $(SPHINXBUILD) -b epub $(ALLSPHINXOPTS) $(BUILDDIR)/epub + @echo + @echo "Build finished. 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The pseudo-XML files are in $(BUILDDIR)/pseudoxml." diff --git a/tracking/viewers/pv/doc/coloring.rst b/tracking/viewers/pv/doc/coloring.rst new file mode 100644 index 000000000..528117f15 --- /dev/null +++ b/tracking/viewers/pv/doc/coloring.rst @@ -0,0 +1,220 @@ +Coloring Molecular Structures +============================================================================ + +This document describes how a molecular structure's color can be controlled. + +The coloring scheme can be specified when generating the render geometry, e.g. when using one of the :ref:`render `. functions. Coloring can also be changed later on using the :func:`pv.BaseGeom.colorBy` function. The latter also allows to apply coloring to subparts of the structure only. These two different ways to control the coloring is described in the following code example: + +.. code-block:: javascript + + // color the whole structure in red, while generating the geometry. + var geom = viewer.lines('myStructure', myStructure, { color: pv.color.uniform('red') }); + // oh, no, I changed my mind: We want everything in blue! + geom.colorBy(pv.color.uniform('blue')); + +Coloring is implemented with coloring operations. These operations are small function objects which map a certain atom or residue to a color. They can be as simple as coloring a complete structure in :func:`one color `, or as complex as mapping a :func:`numeric property to a color gradient `. PV includes a variety of coloring operations for the most common tasks. For more complex applications it is also possible to extend the coloring with new operations. + +Available color operations +-------------------------------------------------------------------------- + + +The following color operations are available: + +.. function:: pv.color.uniform([color]) + + Colors the structure with a uniform color. + + :param color: a valid color identifier, or rgb instance to be used for the structure. Defaults to red. + + .. function:: pv.color.byElement() + + Applies the `CPK coloring scheme `_ to the atoms. For example, carbon atoms are colored in light-grey, oxygen in red, nitrogen in blue, sulfur in yellow. + + +.. function:: pv.color.byChain([gradient]) + + Applies a unique uniform color for each chain in the structure. The chain colors are drawn from a gradient, which guarantees that chain colors are unique. + + + :param gradient: An optional gradient to draw colors from. Defaults to a rainbow gradient. + + +.. function:: pv.color.ssSuccession([gradient[,coilColor]]) + + Colors the structure's secondary structure elements with a gradient, keeping the color constant for each secondary structure element. Coil residues, and residue without secondary structure (e.g. ligands) are a colored with *coilColor*. + + :param gradient: The graident to draw colors from. Defaults to rainbow. + :param coilColor: The color for residues without regular secondary structure. Defaults to lightgrey. + +.. function:: pv.color.bySS() + + Colors the structure based on secondary structure type of the residue. Distinct colors are used for helices, strands and coil residues. + +.. function:: pv.color.rainbow([gradient]) + + Maps the residue's chain position (its index) to a color gradient. + + :param gradient: An optional gradient to draw colors from. Defaults to a rainbow gradient. + +.. function:: pv.color.byAtomProp(prop [,gradient [,range]]) + pv.color.byResidueProp(prop [,gradient [,range]]) + + Colors the structure by mapping a numeric property to a color gradient. :func:`pv.color.byAtomProp` uses properties from atoms, whereas :func:`~pv.color.byResidueProp` uses properties from residues. By default, the range of values is automatically determined from the property values and set to the minimum and maximum of observed values. Alternatively, the range can also be specified as the last argument. + + :param prop: name of the property to use for coloring. It is assumed that + the property is numeric (floating point or integral). The name can either + refer to a custom property, or a built-in property of atoms or residues. + :param gradient: The graident to use for coloring. Defaults to rainbow. + :param range: an array of length two specifying the minimum and maximum value of the float properties. When not specified, the value range is determined from observed values. + + +.. _pv.color.opacity: + +Opacity +-------------------------------------------------------------------------- + +In addition to RGB color, the opacity of structures can be controlled as well. Opacity (alpha) is handled like the other RGB components. To render a structure semi-transparently, simply pass a color with an alpha smaller than one to the color operations. + +Additionally, the opacity of a rendered structure can directly be changed by calling :func:`pv.BaseGeom.setOpacity`, for example, to change the opacity of all structures to 0.5, + +.. code-block:: javascript + + // assuming viewer is an instance of pv.Viewer + viewer.forEach(function(object) { + object.setOpacity(0.5); + }); + +Adding a new color operation +-------------------------------------------------------------------------- + +A coloring operation is essentially an object with 3 methods: + + * `colorFor` is called on every atom of the structure (or carbon alpha atoms for trace-based rendering styles. + * `begin` is called once before coloring a structure, allowing for preprocessing such as determining the number of chains in the structure. `begin` may be undefined, in which case it is ignored. + * `end` is called after coloring a structure, allowing or cleanup and freeing of resources. `end` may be undefined in which case it is ignored. + +The following will add a new color operation which colors atoms based on their index. Atoms with an even index will be colored in red, atoms with an odd index will be colored in blue. + + +.. code-block:: javascript + + function evenOdd() { + return new pv.color.ColorOp(function(atom, out, index) { + // index + 0, index + 1 etc. are the positions in the output array + // at which the red (+0), green (+1), blue (+2) and alpha (+3) + // components are to be written. + if (atom.index() % 2 === 0) { + out[index+0] = 1.0; out[index+1] = 0.0; + out[index+2] = 0.0; out[index+3] = 1.0; + } else { + out[index+0] = 0.0; out[index+1] = 0.0; + out[index+2] = 1.0; out[index+3] = 1.0; + } + }); + } + + + + +.. _pv.color.notation: + +Color Notations +-------------------------------------------------------------------------- + +Whenever a function takes a color as its argument, these colors can be specified in different ways: + +- using RGB hex-code notation with an optional alpha value. Either as 6 (8 with alpha) hexadecimal numbers, or as 3 (4 with alpha) hexadecimal numbers. These color strings must be prefixed with a hash (``'#'``) sign. Examples: ``'#badcode'``, or ``'#abc'``. + +- as an array of floating-point values. Each RGBA component is in the range between 0 and 1. The array must either be of length 3 (implicit alpha of 1.0) or length 4. +- as one of the hardcoded color strings + + +-----------+--------------+----------------+ + | white | black | | + +-----------+--------------+----------------+ + | grey | lightgrey | darkgrey | + +-----------+--------------+----------------+ + | red | darkred | lightred | + +-----------+--------------+----------------+ + | green | darkgreen | lightgreen | + +-----------+--------------+----------------+ + | blue | darkblue | lightblue | + +-----------+--------------+----------------+ + | yellow | darkyellow | lightyellow | + +-----------+--------------+----------------+ + | cyan | darkcyan | lightcyan | + +-----------+--------------+----------------+ + | magenta | darkmagenta | lightmagenta | + +-----------+--------------+----------------+ + | orange | darkorange | lightorange | + +-----------+--------------+----------------+ + +Examples +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +.. code-block:: javascript + + // These colors are all the same (guess what) + var color1 = [ 1, 0, 0 ]; // implicit alpha of 1 + var color2 = [ 1, 0, 0, 1 ]; + var color3 = 'red'; + var color4 = '#f00'; // implicit alpha of f + var color5 = '#ff0000'; // implicit alpha of ff + var color6 = '#ff0000ff'; + var color7 = '#f00f'; + + +.. _pv.color.custom-colors: + +Custom Color Palettes +-------------------------------------------------------------------------- + +The default color palette can be replaced with custom color definitions. This is useful to match the colors to the stylesheet on your website, or to provide more color-blind frienly color palettes. + + +.. function :: pv.color.setColorPalette(palette) + + Replaces the current color palette with the specified palette. This will replace the color definitions itself as well as use the newly provided color definitions for the default gradients. All functions that accept color names will from now on us the new color definitions. + + In case you want to change the color palette, it's best to do so before initializing the viewer component as it will make sure that all the code sees the new palette. Some of the methods translate the color names to RGB triplets and as such will not adjust to the new palette. + + :param palette: a dictionary of color names (see example below). + + +Example +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +The following code block replaces the default palette with color-blind friendly colors. + +.. code-block:: javascript + + var MY_COLOR_PALETTE = { + white : rgb.fromValues(1.0,1.0 ,1.0,1.0), + black : rgb.fromValues(0.0,0.0 ,0.0,1.0), + grey : rgb.fromValues(0.5,0.5 ,0.5,1.0), + lightgrey : rgb.fromValues(0.8,0.8 ,0.8,1.0), + darkgrey : rgb.fromValues(0.3,0.3 ,0.3,1.0), + red : rgb.hex2rgb("#AA00A2"), + darkred : rgb.hex2rgb("#7F207B"), + lightred : rgb.fromValues(1.0,0.5 ,0.5,1.0), + green : rgb.hex2rgb("#C9F600"), + darkgreen : rgb.hex2rgb("#9FB82E"), + lightgreen : rgb.hex2rgb("#E1FA71"), // or D8FA3F + blue : rgb.hex2rgb("#6A93D4"), // or 6A93D4 + darkblue : rgb.hex2rgb("#284A7E"), // or 104BA9 + lightblue : rgb.fromValues(0.5,0.5 ,1.0,1.0), + yellow : rgb.hex2rgb("#FFCC73"), + darkyellow : rgb.fromValues(0.5,0.5 ,0.0,1.0), + lightyellow : rgb.fromValues(1.0,1.0 ,0.5,1.0), + cyan : rgb.fromValues(0.0,1.0 ,1.0,1.0), + darkcyan : rgb.fromValues(0.0,0.5 ,0.5,1.0), + lightcyan : rgb.fromValues(0.5,1.0 ,1.0,1.0), + magenta : rgb.fromValues(1.0,0.0 ,1.0,1.0), + darkmagenta : rgb.fromValues(0.5,0.0 ,0.5,1.0), + lightmagenta : rgb.fromValues(1.0,0.5 ,1.0,1.0), + orange : rgb.hex2rgb("#FFA200"), // or FFBA40 + darkorange : rgb.fromValues(0.5,0.25,0.0,1.0), + lightorange : rgb.fromValues(1.0,0.75,0.5,1.0), + brown : rgb.hex2rgb("#A66A00"), + purple : rgb.hex2rgb("#D435CD") + }; + pv.color.setColorPalette(MY_COLOR_PALETTE); diff --git a/tracking/viewers/pv/doc/conf.py b/tracking/viewers/pv/doc/conf.py new file mode 100644 index 000000000..522d5c23a --- /dev/null +++ b/tracking/viewers/pv/doc/conf.py @@ -0,0 +1,262 @@ +# -*- coding: utf-8 -*- +# +# pv documentation build configuration file, created by +# sphinx-quickstart on Sun Sep 15 08:27:09 2013. +# +# This file is execfile()d with the current directory set to its containing dir. +# +# Note that not all possible configuration values are present in this +# autogenerated file. +# +# All configuration values have a default; values that are commented out +# serve to show the default. + +import sys, os +import shutil + + +pdb_structures = [ '1r6a', '1nmr', '1crn' ] + +for pdb_id in pdb_structures: + shutil.copyfile('../pdbs/%s.pdb' % pdb_id, '_static/%s.pdb' % pdb_id) + +shutil.copyfile('../bio-pv.min.js', '_static/bio-pv.min.js') + +# If extensions (or modules to document with autodoc) are in another directory, +# add these directories to sys.path here. If the directory is relative to the +# documentation root, use os.path.abspath to make it absolute, like shown here. +sys.path.insert(0, os.path.abspath('ext')) + +# -- General configuration ----------------------------------------------------- + +# If your documentation needs a minimal Sphinx version, state it here. +#needs_sphinx = '1.0' + +# Add any Sphinx extension module names here, as strings. They can be extensions +# coming with Sphinx (named 'sphinx.ext.*') or your custom ones. +extensions = [ 'pvsample' ] + +# Add any paths that contain templates here, relative to this directory. +templates_path = ['_templates'] + +# The suffix of source filenames. +source_suffix = '.rst' + +# The encoding of source files. +#source_encoding = 'utf-8-sig' + +# The master toctree document. +master_doc = 'index' + +nitpicky = True + +# General information about the project. +project = u'PV' +copyright = u'2013-2015, Marco Biasini' + +# The version info for the project you're documenting, acts as replacement for +# |version| and |release|, also used in various other places throughout the +# built documents. +# +# The short X.Y version. +version = '1.9' +# The full version, including alpha/beta/rc tags. +release = '1.9.0dev' + +# The language for content autogenerated by Sphinx. Refer to documentation +# for a list of supported languages. +#language = None + +# There are two options for replacing |today|: either, you set today to some +# non-false value, then it is used: +#today = '' +# Else, today_fmt is used as the format for a strftime call. +#today_fmt = '%B %d, %Y' + +# List of patterns, relative to source directory, that match files and +# directories to ignore when looking for source files. +exclude_patterns = ['_build'] + +# The reST default role (used for this markup: `text`) to use for all documents. +#default_role = None + +# If true, '()' will be appended to :func: etc. cross-reference text. +#add_function_parentheses = True + +# If true, the current module name will be prepended to all description +# unit titles (such as .. function::). +#add_module_names = True + +# If true, sectionauthor and moduleauthor directives will be shown in the +# output. They are ignored by default. +#show_authors = False + +# The name of the Pygments (syntax highlighting) style to use. +pygments_style = 'sphinx' + +# A list of ignored prefixes for module index sorting. +#modindex_common_prefix = [] + +# If true, keep warnings as "system message" paragraphs in the built documents. +#keep_warnings = False + + +# -- Options for HTML output --------------------------------------------------- + +# The theme to use for HTML and HTML Help pages. See the documentation for +# a list of builtin themes. +html_theme = 'default' + +# Theme options are theme-specific and customize the look and feel of a theme +# further. For a list of options available for each theme, see the +# documentation. +#html_theme_options = {} + +# Add any paths that contain custom themes here, relative to this directory. +#html_theme_path = [] + +# The name for this set of Sphinx documents. If None, it defaults to +# " v documentation". +#html_title = None + +# A shorter title for the navigation bar. Default is the same as html_title. +#html_short_title = None + +# The name of an image file (relative to this directory) to place at the top +# of the sidebar. +#html_logo = None + +# The name of an image file (within the static path) to use as favicon of the +# docs. This file should be a Windows icon file (.ico) being 16x16 or 32x32 +# pixels large. +#html_favicon = None + +# Add any paths that contain custom static files (such as style sheets) here, +# relative to this directory. They are copied after the builtin static files, +# so a file named "default.css" will overwrite the builtin "default.css". +html_static_path = [ '_static' ] + +# If not '', a 'Last updated on:' timestamp is inserted at every page bottom, +# using the given strftime format. +#html_last_updated_fmt = '%b %d, %Y' + +# If true, SmartyPants will be used to convert quotes and dashes to +# typographically correct entities. +#html_use_smartypants = True + +# Custom sidebar templates, maps document names to template names. +#html_sidebars = {} + +# Additional templates that should be rendered to pages, maps page names to +# template names. +#html_additional_pages = {} + +# If false, no module index is generated. +#html_domain_indices = True + +# If false, no index is generated. +#html_use_index = True + +# If true, the index is split into individual pages for each letter. +#html_split_index = False + +# If true, links to the reST sources are added to the pages. +#html_show_sourcelink = True + +# If true, "Created using Sphinx" is shown in the HTML footer. Default is True. +#html_show_sphinx = True + +# If true, "(C) Copyright ..." is shown in the HTML footer. Default is True. +#html_show_copyright = True + +# If true, an OpenSearch description file will be output, and all pages will +# contain a tag referring to it. The value of this option must be the +# base URL from which the finished HTML is served. +#html_use_opensearch = '' + +# This is the file name suffix for HTML files (e.g. ".xhtml"). +#html_file_suffix = None + +# Output file base name for HTML help builder. +htmlhelp_basename = 'pvdoc' + + +# -- Options for LaTeX output -------------------------------------------------- + +latex_elements = { +# The paper size ('letterpaper' or 'a4paper'). +#'papersize': 'letterpaper', + +# The font size ('10pt', '11pt' or '12pt'). +#'pointsize': '10pt', + +# Additional stuff for the LaTeX preamble. +#'preamble': '', +} + +# Grouping the document tree into LaTeX files. List of tuples +# (source start file, target name, title, author, documentclass [howto/manual]). +latex_documents = [ + ('index', 'pv.tex', u'pv Documentation', + u'Marco Biasini', 'manual'), +] + +# The name of an image file (relative to this directory) to place at the top of +# the title page. +#latex_logo = None + +# For "manual" documents, if this is true, then toplevel headings are parts, +# not chapters. +#latex_use_parts = False + +# If true, show page references after internal links. +#latex_show_pagerefs = False + +# If true, show URL addresses after external links. +#latex_show_urls = False + +# Documents to append as an appendix to all manuals. +#latex_appendices = [] + +# If false, no module index is generated. +#latex_domain_indices = True + + +# -- Options for manual page output -------------------------------------------- + +# One entry per manual page. List of tuples +# (source start file, name, description, authors, manual section). +man_pages = [ + ('index', 'pv', u'pv Documentation', + [u'Marco Biasini'], 1) +] + +# If true, show URL addresses after external links. +#man_show_urls = False + + +# -- Options for Texinfo output ------------------------------------------------ + +# Grouping the document tree into Texinfo files. List of tuples +# (source start file, target name, title, author, +# dir menu entry, description, category) +texinfo_documents = [ + ('index', 'pv', u'pv Documentation', + u'Marco Biasini', 'pv', 'One line description of project.', + 'Miscellaneous'), +] + +# Documents to append as an appendix to all manuals. +#texinfo_appendices = [] + +# If false, no module index is generated. +#texinfo_domain_indices = True + +# How to display URL addresses: 'footnote', 'no', or 'inline'. +#texinfo_show_urls = 'footnote' + +# If true, do not generate a @detailmenu in the "Top" node's menu. +#texinfo_no_detailmenu = False + + +primary_domain = 'js' diff --git a/tracking/viewers/pv/doc/developer.rst b/tracking/viewers/pv/doc/developer.rst new file mode 100644 index 000000000..42811c127 --- /dev/null +++ b/tracking/viewers/pv/doc/developer.rst @@ -0,0 +1,89 @@ +PV for developers documentation +========================================= + +How to Contribute +----------------------------------------- + +Contributions of any kind (code, documentation, bug reports) are more than welcome. + +Coding conventions +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Apart from the basic rules listed below, there is no detailed style guide. In doubt, just look at the existing code. + + - always put braces around if/else/while/for statements. + - and indent is two spaces + - camelCase your variables and function names + - use an _ prefix for your private variables that should not be accessed from outside the class + - wrap code at 80 characters + - use === and !== for comparisons + +Commits +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Use descriptive commit messages using the following format: + + - a short single-line summary, e.g. "add transparency for mesh and line geoms". This line summary should not exceed 60-70 characters. + - optionally a block of text that describes the change in more detail, e.g. + + color information is now stored as an RGBA quadruplet to accomodate one + alpha value for each vertex. Coloring operations have grown the ability to + specify alpha values. In case they are omitted, they default to 1.0 + (fully opaque) structure. + + the block should be wrapped at 80 characters. + +In case you are submitting a larger feature/bugfix, split your work into multiple commits. The main advantage is that your change becomes easier to review. + +Before submitting +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Before submitting, or sending the pull request + + - make sure that there are no unrelated changes checked in. + - run grunt to check for any coding convention violations and in general make sure that grunt is still able to minify your code without problems. + - in case you are adding new functionality, make sure you area adding it to the API documentation + - make sure you don't check-in changes to bio-pv.min.js. These changes are very likely to cause conflicts. + + + +How to release a new version of PV +------------------------------------------ + +These are the steps to release a new version of PV: + +Release Testing +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +* Check that all unit tests pass +* Check that the samples in the documentation work +* Check that all samples in the demo work +* Check that the release note contain all major changes +* Update version number + + - Update version number in release notes (README.md) + - Update version number in package.json + - Update version number in doc/conf.py + +* Create NPM package with ```npm pack```. +* Test that the npm package works by unzipping it in a separate directory and running all the snippets + + .. code-block:: bash + + cp bio-pv-$version.tgz /tmp + cd /tmp + open -W bio-pv-$version.tgz + cd package + biojs-sniper + open http://localhost:9090/snippets + +Release Publishing +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +* Publish the package to npm: ``npm publish`` +* tag the release using ``git tag v$version -m "tagging v$version"`` +* Upload the release package to github releases +* Create a readthedocs documentation version for the new tag +* Set the tag as the default version + + diff --git a/tracking/viewers/pv/doc/ext/pvsample.py b/tracking/viewers/pv/doc/ext/pvsample.py new file mode 100644 index 000000000..3b71ff580 --- /dev/null +++ b/tracking/viewers/pv/doc/ext/pvsample.py @@ -0,0 +1,81 @@ +""" +Adds the pv-sample directive that allows to show code for an +example which is at the same time executed life on the web-page. +""" +from docutils import nodes +from docutils.parsers.rst import Directive +from sphinx.util.compat import make_admonition +from sphinx.util.nodes import set_source_info +from sphinx.locale import _ +import os + +class PVSample(nodes.Admonition, nodes.Element): + pass + +RAW_CODE_PRELUDE=''' + + + + +
        +
        +
        +''' +class PVSampleDirective(Directive): + + # this enables content in the directive + has_content = True + + def run(self): + env = self.state.document.settings.env + + code = '\n'.join(self.content) + + literal = nodes.literal_block(code, code) + literal['language' ] = 'html' + print env.docname + doc_dir = os.path.dirname(env.docname) + relative_static_path = os.path.relpath(env.config.html_static_path[0], + doc_dir) + + prelude = RAW_CODE_PRELUDE % relative_static_path + raw_html_code = nodes.raw(code, prelude + code + '
        ', + format='html') + set_source_info(self, literal) + set_source_info(self, raw_html_code) + return [raw_html_code, nodes.subtitle('', 'Source Code'), literal] + +class PVSampleListDirective(Directive): + + def run(self): + return [PVSampleList('')] + +def visit_pv_sample(self, node): + self.visit_admonition(node) + +def depart_pv_sample(self, node): + self.depart_admonition(node) + +def setup(app): + app.add_node(PVSample, + html=(visit_pv_sample, depart_pv_sample), + latex=(visit_pv_sample, depart_pv_sample), + text=(visit_pv_sample, depart_pv_sample)) + + app.add_directive('pv-sample', PVSampleDirective) + + return {'version': '0.1'} # identifies the version of our extension diff --git a/tracking/viewers/pv/doc/index.rst b/tracking/viewers/pv/doc/index.rst new file mode 100644 index 000000000..db943d395 --- /dev/null +++ b/tracking/viewers/pv/doc/index.rst @@ -0,0 +1,34 @@ +.. pv documentation master file, created by + sphinx-quickstart on Sun Sep 15 08:27:09 2013. + You can adapt this file completely to your liking, but it should at least + contain the root `toctree` directive. + +Welcome to PV's documentation! +============================== + +PV is a WebGL-based viewer for proteins and other biological macromolecules. It aims to be fast and easy to integrate into websites. + +Contents: +------------------------------ + +.. toctree:: + :maxdepth: 2 + + intro + viewer + scene + coloring + mol + superpose + samples + developer + + + +Indices and tables +================== + +* :ref:`genindex` +* :ref:`modindex` +* :ref:`search` + diff --git a/tracking/viewers/pv/doc/intro.rst b/tracking/viewers/pv/doc/intro.rst new file mode 100644 index 000000000..391a574a7 --- /dev/null +++ b/tracking/viewers/pv/doc/intro.rst @@ -0,0 +1,127 @@ +Getting started with PV +======================================================== + +Getting the PV source-code +-------------------------------------------------------- + +The simplest way to get PV into your website is by downloading one of the release tarballs from `github.com `_. The release tarballs contain the self-contained development and minified code for PV which can directly be integrated into your website. + + +Installing with bower +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +To install PV with bower, change to your project directory and type the following: + +.. code-block:: bash + + bower install bio-pv + +.. note:: + + Bower support has only been added to versions 1.8 and newer, so it won't be possible to use this method of installation for older versions. + + + +Installing from git +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Alternatively, you can clone the github repository of PV. This approach is only recommended if you are planning to make changes to PV itself. Otherwise it's simpler to either download one of the release tarballs or install through bower. + +.. code-block:: bash + + git clone https://github.com/biasmv/pv + cd pv + +The minified version of PV is checked into the git repository (``bio-pv.min.js``). You may either use this file directly, or create it from the sources. In the case of the latter, you will need `Grunt `_ and `NPM `_ installed on your system. Use the following commands to build: + +.. code-block:: bash + + # setup dev environment for PV + npm install --setup-dev + # runs grunt and applies some additional name mangling to the source + scripts/make.sh + +Upon success, bio-pv.min.js is placed in the project's top-level folder. + + +Setting up a small website +----------------------------------------------------- + +The following minimal example shows how to include PV in a website for protein structure visualisation. For that purpose, we will create a small index.html file containing the bare-minimum required to run PV. The example does not depend on any external library. But of course it is also possible to combine PV with jQuery or other popular JS libraries. + +In case you want to recreate the example, create a directory for the index.html file and change into that directory. + +The index.html file +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +The page is essentially a bare-bone HTML page which includes the pv.min.js file. In the preamble, we define a meta element to prevent page scrolling and load the PV library. + +.. code-block:: html + + + + Dengue Virus Methyl Transferase + + + +
        + + + + +Now on to the interesting part. First, we :ref:`initialise the viewer ` with custom settings. The width and height of the viewer are initialized to 600 pixels with antialising enabled and a medium detail level. These settings have been tested on a variety of devices and are known to work well for typical proteins. + +.. code-block:: html + + + + +Most of the work happens in loadMethylTransferase. This function will be called when the DOMContentLoaded event fires and we will use it to populate the WebGL viewer with a nice protein structure. + +.. code-block:: html + + + +Running the Example +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Before running the example, we have to make sure that the pv.min.js file and the PDB file for the methyl transferase are in the right location. The easiest is to copy the pv.min.js file from the release tarball and fetch the PDB file for 1r6a from the `PDB website `_. Then serve the files using Python's SimpleHTTPServer: + + +.. code-block:: python + + python -m SimpleHTTPServer + +And visit the localhost:8000 with a WebGL-enabled browser. diff --git a/tracking/viewers/pv/doc/mol.rst b/tracking/viewers/pv/doc/mol.rst new file mode 100644 index 000000000..958be3f92 --- /dev/null +++ b/tracking/viewers/pv/doc/mol.rst @@ -0,0 +1,495 @@ +Molecular Structures +========================================================================================= + +Molecular structures are represented by the :class:`pv.mol.Mol` class. While nothing restricts the type of molecules stored in an instance of :class:`pv.mol.Mol`, the data structure is optimized for biological macromolecules and follows the same hierarchical organizing principle. The lowest level of the hierarchy is formed by chains. The chains consist of one or more residues. Depending on the type of residues the chain holds, the chain is interpreted as a linear chain of residues, e.g. a polyeptide, or polynucleotide, or a collection of an unordered group of molecules such as water. In the former case, residues are ordered from N to C terminus, whereas in the latter the ordering of the molecules does not carry any meaning. Each residue consists of one or more atoms. + +Tightly coupled to :class:`pv.mol.Mol` is the concept of structural subset, a :class:`pv.mol.MolView`. MolViews have the exact same interface than :class:`pv.mol.Mol` and in most cases behave exactly the same. Thus, from a user perspective it mostly does not matter whether one is working with a complete structure or a subset thereof. In the following, the APIs for the :class:`pv.mol.Mol` and :class:`pv.mol.MolView` classes are described together. Where differences exist, they are documented. + + +Obtaining and Creating Molecular Structures +----------------------------------------------------------------------------------------- + +The most common way to construct :class:`molecules ` is through one of the io functions. For example, to import the structure from a PDB file, use :func:`pv.io.pdb`. The whole structure, or a subset thereof can then be displayed on the screen by using one of the :ref:`rendering functions`. + +The following code example fetches a PDB file from PDB.org imports it and displays the chain with name 'A' on the screen. For more details on how to create subsets, see :ref:`pv.mol.creating-views`. + +.. code-block:: javascript + + $.ajax('http://pdb.org/pdb/files/'+pdbId+'.pdb') + .done(function(data) { + // data contains the contents of the PDB file in text form + var structure = pv.io.pdb(data); + var firstChain = structure.select({chain: 'A'}); + viewer.cartoon('firstChain', firstChain); + }); + +Alternatively, you can create the structure *by hand*. That's typically not required, unless you are implementing your own importer for a custom format. The following code creates a simple molecule consisting of 10 atoms arranged along the x-axis. + +.. code-block:: javascript + + var structure = new pv.mol.Mol(); + var chain = structure.addChain('A'); + for (var i = 0; i < 10; ++i) { + var residue = chain.addResidue('ABC', i); + residue.addAtom('X', [i, 0, 0], 'C'); + } + + +.. _pv.mol.creating-views: + +Creating Subsets of a Molecular Structure +----------------------------------------------------------------------------------------- + +It is quite common to only apply operations (coloring, displaying) to subset of a molecular structure. These subsets are modelled as *views* and can be created in different ways. + + - The most convenient way to create views is by using :func:`pv.mol.Mol.select`. Select accepts a set of predicates and returns a view containing only chains, residues and atoms that match the predicates. + - Alternatively for more complex selections, one can use :func:`pv.mol.Mol.residueSelect`, or :func:`pv.mol.Mol.atomSelect`, which evaluates a function on each residue/atom and includes residues/atoms for which the function returns true. + + - Selection by distance allows to select parts of a molecule that are within a certain radius of another molecule. + - Views can be assembled manually through :func:`pv.mol.MolView.addChain`, :func:`pv.mol.ChainView.addResidue`, :func:`pv.mol.ResidueView.addAtom`. This is the most flexible but also the most verbose way of creating views. + + +Loading Molecular Structures +----------------------------------------------------------------------------------------- + +The following functions import structures from different data formats. + +.. function:: pv.io.pdb(pdbData[, options]) + + Loads a structure from the *pdbData* string and returns it. In case multiple models are present (as designated by MODEL/ENDMDL), only the first is read. This behavior can be changed by passing ``loadAllModels : true`` to the options dictionary. In that case all models present in the string are loaded and returned as an array. Secondary structure and assembly information is assigned to all of the models. + +The following record types are handled: + + * *ATOM/HETATM* for the actual coordinate data. Alternative atom locations other than those labelled as *A* are discarded. + * *HELIX/STRAND* for assignment of secondary structure information. + * *REMARK 350* for handling of biological assemblies + +.. function:: pv.io.sdf(sdfData) + + Load small molecules from *sdfData* and returns them. In case multiple molecules are present, these molecules are returned as separate chains of the same :class:`pv.mol.Mol` instance. + + Currently, only a minimal set of information is extracted from SDF files: + + * atom position, element, atom name (set to the element) + * connectivity information + * the chain name is set to the structure title + +.. function:: pv.io.fetchPdb(url, callback[, options]) + pv.io.fetchSdf(url, callback) + + Performs an adjax request the provided URL and loads the data as a structure using either :func:`pv.io.pdb`, or :func:`pv.io.sdf`. Upon success, the callback is invoked with the loaded structure as the only argument. *options* is passed as-is to :func:`pv.io.pdb`. + + +Mol (and MolView) +----------------------------------------------------------------------------------------- + +.. class:: pv.mol.Mol() + + Represents a complete molecular structure which may consist of multiple polypeptide chains, solvent and other molecules. Instances of mol are typically created through one of the io functions, e.g. :func:`pv.io.pdb`, or :func:`pv.io.sdf`. + +.. class:: pv.mol.MolView() + + Represents a subset of a molecular structure, e.g. the result of a selection operation. Except for a few differences, it's API is identical to :class:`pv.mol.Mol`. + +.. function:: pv.mol.Mol.eachAtom(callback) + pv.mol.MolView.eachAtom(callback) + + Invoke callback for each atom in the structure. For example, the following code calculates the number of carbon alpha atoms. + + .. code-block:: javascript + + var carbonAlphaCount = 0; + myStructure.eachAtom(function(atom) { + if (atom.name() !== 'CA') + return; + if (!atom.residue().isAminoacid()) + return; + carbonAlphaCount += 1; + }); + console.log('number of carbon alpha atoms', carbonAlphaCount); + +.. function:: pv.mol.Mol.eachResidue(callback) + pv.mol.MolView.eachResidue(callback) + + Invoke callback for each residue in the structure or view. + +.. function:: pv.mol.Mol.full() + pv.mol.MolView.full() + + Convenience function that always links back to :class:`pv.mol.Mol`. For instances of :class:`pv.mol.Mol`, returns this directly, for instances of :class:`pv.mol.MolView` returns a reference to the :class:`pv.mol.Mol` the subset was derived from. + +.. function:: pv.mol.Mol.atomCount() + pv.mol.MolView.atomCount() + + Returns the number of atoms in the structure, subset of structure. + +.. function:: pv.mol.Mol.center() + pv.mol.MolView.center() + + Returns the geometric center of all atoms in the structure. + +.. function:: pv.mol.Mol.chains() + pv.mol.MolView.chains() + + Returns an array of all chains in the structure. For :class:`pv.mol.Mol`, this returns a list of :class:`pv.mol.Chain` instances, for :class:`pv.mol.MolView` a list of :class:`pv.mol.ChainView` instances. + +.. function:: pv.mol.Mol.select(what) + pv.mol.MolView.select(what) + + Returns a :class:`pv.mol.MolView` containing a filtered subset of chains, residues and atoms. *what* determines how the filtered subset is created. It can be set to a predefined string for commonly required selections, or be set to a dictionary of predicates that have to match for a chain, residue or atom to be included in the result. Currently, the following predefined selections are accepted: + + * *water*: selects residues with names HOH and DOD (deuteriated water). + * *protein*: returns all amino-acids found in the structure. Note that this might return amino acid ligands as well. + * *ligand*: selects all residues which are not water nor protein. + * *polymer*: selects all residues which are part of polymers. At the moment, this only returns nucleotides and peptides. Residues are considered to be part of polymers if they have a bond to at least one other residue of the same type. Note that the behavior of *polymer* is not identical *protein*. The latter also returns single amino acids. + + Matching by predicate dictionary provides a flexible way to specify selections without having to write custom callbacks. A predicate is a condition which has to be fullfilled in order to include a chain, residue or atom in the results. Some of the predicates match against chain ,e.g. *cname*, others against residues, e.g. *rname*, and others against atoms, e.g. *ele*. When multiple predicates are specified in the dictionary, all of them have to match for an item to be included in the results. + + **Available Chain Predicates:** + + * *cname*/*chain*: A chain is included iff the chain name it is equal to the *cname*/*chain*. To match against multiple chain names, use the plural forms cnames/chains. + + **Available Residue Predicates:** + + * *rname*: A residue is included iff the residue name it is equal to *rname*. To match against multiple residue names, use the plural form rnames. + * *rindexRange* include residues at position in a chain in the interval *rindexRange[0]* and *rindexRange[1]*. The residue at *rindexRange[1]* is also included. Indices are zero-based. + * *rindices* includes residues at certain positions in the chain. Indices are zero based. + + * *rnum* includes residues having the provided residue number value. Only the numeric part is honored, insertion codes are ignored. To match against multiple residue numbers, use the plural form *rnums*. + * *rnumRange* include residues with numbers between *rnumRange[0]* and *rnumRange[1]*. The residue with number *rnumRange[1]* is also included. + + **Available Atom Predicates:** + + * *aname* An atom is included iff the atom name it is equal to *aname*. To match against multiple atom names, use the plural form anames. + * *hetatm* An atom is included iff the atom hetatm flag matches the provided value. + + **Examples:** + + .. code-block:: javascript + + // select chain with name 'A' and all its residues and atoms + var chainA = myStructure.select({cname : 'A'}); + + // select carbon alpha of chain 'A'. Residues with no carbon alpha will not be + // included in the result. + var chainACarbonAlpha = myStructure.select({cname : 'A', aname : 'CA'}); + + When none of the above selection mechanisms is flexible enough, consider using :func:`pv.mol.Mol.residueSelect`, or :func:`pv.mol.Mol.atomSelect`. + + + :returns: :class:`pv.mol.MolView` containing the subset of chains, residues and atoms. + +.. function:: pv.mol.Mol.selectWithin(structure[, options]) + pv.mol.MolView.selectWithin(structure[, options]) + + Returns an instance of :class:`pv.mol.MolView` containing chains, residues and atoms which are in spatial proximity to *structure*. + + :param structure: :class:`pv.mol.Mol` or :class:`pv.mol.MolView` to which proximity is required. + :param options: An optional dictionary of options to control the behavior of selectWithin (see below) + + **Options** + + - **radius** sets the distance cutoff in Angstrom. The default radius is 4. + + - **matchResidues** whether to use residue matching mode. When set to true, all atom of a residue are included in result as soon as one atom is in proximity. + + +.. function:: pv.mol.Mol.residueSelect(predicate) + pv.mol.MolView.residueSelect(predicate) + + Returns an instance of :class:`pv.mol.MolView` only containing residues which match the predicate function. The predicate must be a function which accepts a residue as its only argument and return true for residues to be included. For all other residues, the predicate must return false. All atoms of matching residues will be included in the view. + + **Example:** + + .. code-block:: javascript + + var oddResidues = structure.residueSelect(function(res) { + return res.index() % 2; + }); + +.. function:: pv.mol.Mol.atomSelect(predicate) + pv.mol.MolView.atomSelect(predicate) + + Returns an instance of :class:`pv.mol.MolView` only containing atoms which match the predicate function. The predicate must be a function which accepts an atom as its only argument and return true for atoms to be included. For all other atoms, the predicate must return false. + + **Example:** + + .. code-block:: javascript + + var carbonAlphas = structure.atomSelect(function(atom) { + return res.name() === 'CA'; + }); + +.. function:: pv.mol.Mol.addChain(name) + + Adds a new chain with the given name to the structure + + :param name: the name of the chain + + :returns: the newly created :class:`pv.mol.Chain` instance + +.. function:: pv.mol.MolView.addChain(chain, includeAllResiduesAndAtoms) + + Adds the given chain to the structure view + + :param chain: the chain to add. Must either be a :class:`pv.mol.ChainView`, or :class:`pv.mol.Chain` instance. + :param includeAllResiduesAndAtoms: when true, residues and atoms contained in the chain are directly added as new :class:`pv.mol.ResidueView`, :class:`pv.mol.AtomView` instances. When set to false (the default), the new chain view is created with an empty list of residues. + + :returns: the newly created :class:`pv.mol.ChainView` instance + +.. function:: pv.mol.Mol.addResidues(residues, includeAllAtoms) + + Adds all residues to their respective chain + + :param residues: list of new residues + :param includeAllAtoms: when true, all atoms of the residue are directly added as new AtomViews to the residue. When set to false (the default), a new residue view is created with an empty list of atoms. + + :returns: a map of chain name to chain for the affected chains with new residues. + +.. function:: pv.mol.MolView.addAtom(atom) + + Adds the given atom to the view. If the atom is already contained in the view, it is not added again. If an atom's residue or chain are not yet part of the view, they are added as well. + + :param atom: the atom to add. Must either be a :class:`pv.mol.AtomView`, or :class:`pv.mol.Atom` instance. + + :returns: the newly created :class:`pv.mol.AtomView` instance, or the existing atom if the atom was already contained in the view. + +.. function:: pv.mol.MolView.removeAtom(atom, removeEmptyResiduesAndChains) + + Remove the given atom from the view. + + :param atom: The atom to remove must either be a :class:`pv.mol.AtomView`, or :class:`pv.mol.Atom` instance. + :param removeEmptyResiduesAndChains: when true removes now-empty residues an chains from the view. When false, empty residues an chains remain in the view. + + :returns: true if the atom was part of the view an was removed, false if not. + + + +.. function:: pv.mol.Mol.chain(name) + pv.mol.MolView.chain(name) + + Alias for :func:`pv.mol.Mol.chainByName` + +.. function:: pv.mol.Mol.chainByName(name) + pv.mol.MolView.chainByName(name) + + Returns the chain with the given name. If no such chain exists, null is returned. + +.. function:: pv.mol.Mol.chainsByName(names) + pv.mol.MolView.chainsByName(names) + + Returns the list of chains matching the specified names. In case a chain does not exist (or is not part of the view), the chain name is ignored, as if it were not specified. + + +Chain (and ChainView) +----------------------------------------------------------------------------------------- + +.. class:: pv.mol.Chain + + Represents either a linear chain of molecules, e.g. as in peptides or an unordered collection of molecules such as water. New instances are created by calling :func:`pv.mol.Mol.addChain`. + + +.. class:: pv.mol.ChainView + + Represents a subset of a chain, that is a selected subset of residues and atoms. New instances are created and added to an existing :class:`pv.mol.MolView` instance by calling :func:`pv.mol.MolView.addChain`. + +.. function:: pv.mol.Chain.name() + pv.mol.ChainView.name() + + The name of the chain. For chains loaded from PDB, the chain names are alpha-numeric and no longer than one character. + +.. function:: pv.mol.Chain.residues() + pv.mol.ChainView.residues() + + Returns the list of residues contained in this chain. For :class:`pv.mol.Chain` instances, returns an array of :class:`pv.mol.Residue`, for :class:`pv.mol.ChainView` instances returns an array of :class:`pv.mol.ResidueView` instances. + +.. function:: pv.mol.Chain.eachBackboneTrace(callback) + pv.mol.ChainView.eachBackboneTrace(callback) + + Invokes *callback* for each stretch of consecutive amino acids found in the chain. Each trace contains at least two amino acids. Two amino acids are consecutive when their backbone is complete and the carboxy C-atom and the nitrogen N could potentially form a peptide bond. + + :param callback: a function which accepts the array of trace residues as an argument + +.. function:: pv.mol.Chain.backboneTraces() + pv.mol.ChainView.backboneTraces() + + Convenience function which returns all backbone traces of the chain as a list. See :func:`pv.mol.Chain.eachBackboneTrace`. + +.. function:: pv.mol.Chain.addResidue(name, number[, insCode]) + + Appends a new residue at the end of the chain + + :param name: the name of the residue, for example 'GLY' for glycine. + :param number: the numeric part of the residue number + :param insCode: the insertion code character. Defaults to '\\0'. + + :returns: the newly created :class:`pv.mol.Residue` instance + + +.. function:: pv.mol.Chain.residueByRnum(rnum) + pv.mol.ChainView.residueByRnum(rnum) + + Returns the first residue in the chain with the given numeric residue number. Insertion codes are ignored. In case no residue has the given residue number, null is returned. This function internally uses a binary search when the residue numbers of the chain are ordered, and falls back to a linear search in case the residue numbers are unordered. + + :returns: if found, the residue instance, and null if no such residue exists. + + +.. function:: pv.mol.Chain.residuesInRnumRange(start, end) + pv.mol.ChainView.residuesInRnumRange(start, end) + + Returns the list of residues that have residue number in the range *start*, *end*. Insertion codes are ignored. This function internally uses a binary search to quickly determine the residues included in the range when the residue numbers in the chain are ordered, and falls back to a linear search in case the residue numbers are unordered. + + **Example:** + + .. code-block:: javascript + + // will contain residues with numbers from 5 to 10. + var residues = structure.chain('A').residuesInRnumRange(5, 10); + + +.. function:: pv.mol.ChainView.addResidue(residue, includeAllAtoms) + + Adds the given residue to the chain view + + :param residue: the residue to add. Must either be a :class:`pv.mol.ResidueView`, or :class:`pv.mol.Residue` instance. + :param includeAllAtoms: when true, all atoms of the residue are directly added as new AtomViews to the residue. When set to false (the default), a new residue view is created with an empty list of atoms. + + :returns: the newly created :class:`pv.mol.ResidueView` instance + + + +Residue (and ResidueView) +----------------------------------------------------------------------------------------- + + +.. class:: pv.mol.Residue + + Represents a residue, e.g. a logical unit of atoms, such as an amino acid, a nucleotide, or a sugar. New residues are created and added to an existing :class:`pv.mol.Chain` instance by calling :func:`pv.mol.Chain.addResidue`. + + +.. class:: pv.mol.ResidueView + + Represents a subset of a residue, e.g. a subset of the atoms the residue contains. New residue views are created and added to an existing :class:`pv.mol.ChainView` by calling :func:`pv.mol.ChainView.addResidue`. + + +.. function:: pv.mol.Residue.name() + pv.mol.ResidueView.name() + + Returns the three-letter-code of the residue, e.g. GLY for glycine. + + +.. function:: pv.mol.Residue.isWater() + pv.mol.ResidueView.isWater() + + Returns true when the residue is a water molecule. Water molecules are recognized by having a one-letter-code of HOH or DOD (deuteriated water). + + +.. function:: pv.mol.Residue.isAminoAcid() + pv.mol.ResidueView.isAminoAcid() + + Returns true when the residue is an amino acid. Residues which have the four backbone atoms N, CA, C, and O are considered as amino acids, all others not. + +.. function:: pv.mol.Residue.num() + pv.mol.ResidueView.num() + + Returns the numeric part of the residue number, ignoring insertion code. + +.. function:: pv.mol.Residue.index() + pv.mol.ResidueView.index() + + Returns the index of the residue in the chain. + +.. function:: pv.mol.Residue.atoms() + pv.mol.ResidueView.atoms() + + Returns the list of atoms of this residue. For :class:`pv.mol.Residue`, returns an array of :class:`pv.mol.Atom` instances, for :class:`pv.mol.ResidueView`, resturns an array of :class:`pv.mol.AtomView` instances. + +.. function:: pv.mol.Residue.atom(nameOrIndex) + pv.mol.ResidueView.atom(nameOrIndex) + + Get a particular atom from this residue. *nameOrResidue* can either be an integer, in which case the atom at that index is returned, or a string, in which case an atom with that name is searched and returned. + + :returns: For :class:`pv.mol.Residue`, a :class:`pv.mol.Atom` instance, for :class:`pv.mol.ResidueView`, a :class:`pv.mol.AtomView` instance. If no matching atom could be found, null is returned. + + +.. function:: pv.mol.Residue.addAtom(name, pos, element) + + Adds a new atom to the residue. + + :param name: the name of the atom, for example CA for carbon-alpha + :param pos: the atom position + :param element: the atom element string, e.g. 'C' for carbon, 'N' for nitrogen + + :returns: the newly created :class:`pv.mol.Atom` instance + +.. function:: pv.mol.ResidueView.addAtom(atom) + + Adds the given atom to the residue view + + :returns: the newly created :class:`pv.mol.AtomView` instance + + +Atom (and AtomView) +----------------------------------------------------------------------------------------- + +.. class:: pv.mol.Atom + + Stores properties such as positions, name element etc of an atom. Atoms always have parent residue. New atoms are created by adding them to an existing residue through :func:`pv.mol.Residue.addAtom`. + + +.. class:: pv.mol.AtomView + + Represents a selected atom as part of a view. New atom views are created by adding them to an existing :class:`pv.mol.ResidueView` through :func:`pv.mol.ResidueView.addAtom`. + + +.. function:: pv.mol.Atom.name() + pv.mol.AtomView.name() + + The name of the atom, e.g. CA for carbon alpha. + +.. function:: pv.mol.Atom.element() + pv.mol.AtomView.element() + + The element of the atom. When loading structures from PDB, the atom element is taken *as is* from the element column if it is not empty. In case of an empty element column, the element is guessed from the atom name. + + +.. function:: pv.mol.Atom.bonds() + pv.mol.AtomView.bonds() + + Returns a list of all bonds this atom is involved in. + +.. function:: pv.mol.Atom.pos() + pv.mol.AtomView.pos() + + The actual coordinates of the atom. + +.. function:: pv.mol.Atom.isHetatm() + pv.mol.AtomView.isHetatm() + + Returns true when the atom was imported from a HETATM record, false if not. This flag is only meaningful for structures imported from PDB files and will return false for other file formats. + + +.. function:: pv.mol.Atom.occupancy() + pv.mol.AtomView.occupancy() + + Returns the occupancy of this atom. In case this value is not available, null will be returned. + +.. function:: pv.mol.Atom.tempFactor() + pv.mol.AtomView.tempFactor() + + Returns the temperature factor (aka B-factor) of this atom. In case this value is not available, null will be returned. + +.. function pv.mol.Atom.isConnectedTo(otherAtom) + pv.mol.AtomView.isConnectedTo(otherAtom) + + Returns true if there is a bond between this atom and other atom, false otherwise. In case otherAtom is null, false is returned. + + +Bond +----------------------------------------------------------------------------------------- + + +.. class:: pv.mol.Bond + + +to be written... diff --git a/tracking/viewers/pv/doc/pvviewer_demo.ipynb b/tracking/viewers/pv/doc/pvviewer_demo.ipynb new file mode 100644 index 000000000..2af7efe9d --- /dev/null +++ b/tracking/viewers/pv/doc/pvviewer_demo.ipynb @@ -0,0 +1,77 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": 1, + "metadata": { + "collapsed": true + }, + "outputs": [], + "source": [ + "from pvviewer import PDBViewer" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "metadata": { + "collapsed": false + }, + "outputs": [ + { + "data": { + "text/html": [ + "\n", + "
        \n", + " \n", + " " + ], + "text/plain": [ + "" + ] + }, + "execution_count": 2, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "PDBViewer(\"1r6a\")" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 2", + "language": "python", + "name": "python2" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 2 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython2", + "version": "2.7.6" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/tracking/viewers/pv/doc/sample-3d-label.rst b/tracking/viewers/pv/doc/sample-3d-label.rst new file mode 100644 index 000000000..ee68ae06d --- /dev/null +++ b/tracking/viewers/pv/doc/sample-3d-label.rst @@ -0,0 +1,33 @@ +Displaying a label on an atom +======================================================= + +This sample demonstrates how to add a label in the 3d scene to annotate an atom. + +.. pv-sample:: + + + + diff --git a/tracking/viewers/pv/doc/sample-custom-mesh.rst b/tracking/viewers/pv/doc/sample-custom-mesh.rst new file mode 100644 index 000000000..d69c87105 --- /dev/null +++ b/tracking/viewers/pv/doc/sample-custom-mesh.rst @@ -0,0 +1,37 @@ +Adding custom geometry to the 3D scene +======================================================= + +This sample demonstrates how to add custom geometry to the 3d scene. The code places small spheres on a helical structure and colors them using a gradient. + +.. pv-sample:: + + + + diff --git a/tracking/viewers/pv/doc/sample-custom-property.rst b/tracking/viewers/pv/doc/sample-custom-property.rst new file mode 100644 index 000000000..bb245d899 --- /dev/null +++ b/tracking/viewers/pv/doc/sample-custom-property.rst @@ -0,0 +1,36 @@ +Color structure by custom property +======================================================= + + +This sample demonstrates how to color a structure by using a user-defined property on residues. In analogy, these properties may be defined on atoms as well. + +.. pv-sample:: + + + + diff --git a/tracking/viewers/pv/doc/sample-ensemble.rst b/tracking/viewers/pv/doc/sample-ensemble.rst new file mode 100644 index 000000000..e2730ed7e --- /dev/null +++ b/tracking/viewers/pv/doc/sample-ensemble.rst @@ -0,0 +1,28 @@ +Display an NMR ensemble +================================================= + +In this sample we are going to use the *loadAllModels* option of the :func:`PDB parser` to load all structures present in a multi-model PDB file. The models are then displayed together in the viewer using the :func:`cartoon render mode `. + +.. pv-sample:: + + + diff --git a/tracking/viewers/pv/doc/sample-hover.rst b/tracking/viewers/pv/doc/sample-hover.rst new file mode 100644 index 000000000..5591ff7d6 --- /dev/null +++ b/tracking/viewers/pv/doc/sample-hover.rst @@ -0,0 +1,72 @@ +Highlight atom under mouse cursor +================================================= + +This sample shows how to highlight the atom under the mouse cursor by changing it's color to red and display it's name. + +.. note:: + + While it's possible to temporarily change the color for highlighting purposes, it's recommended to use the :func:`selection highlighting functionality ` added in in PV 1.8.0 instead. + +This sample requires PV 1.7.0 and higher to work as it relies on functionality that was added in 1.7.0. + + +.. pv-sample:: + +
         
        + + diff --git a/tracking/viewers/pv/doc/sample-measure-distance.rst b/tracking/viewers/pv/doc/sample-measure-distance.rst new file mode 100644 index 000000000..2820649df --- /dev/null +++ b/tracking/viewers/pv/doc/sample-measure-distance.rst @@ -0,0 +1,59 @@ +Measure distance between two atoms +================================================= + +This sample shows how add support for measuring the distance between two atoms. + +Usage +-------------------------------------------------- + +Click on two atoms to measure the distance between them. After clicking the second atom, a line will be drawn that connects the two atoms with the distance displayed in a label. + +.. pv-sample:: + + diff --git a/tracking/viewers/pv/doc/sample-select.rst b/tracking/viewers/pv/doc/sample-select.rst new file mode 100644 index 000000000..e0c7c7652 --- /dev/null +++ b/tracking/viewers/pv/doc/sample-select.rst @@ -0,0 +1,77 @@ +Select atoms/residues using mouse and keyboard +======================================================= + + +This sample demonstrates how to select residues with mouse an keyboard by using the selection highlighting introduced in PV 1.8 to visually highlight a subset of residues and atoms. + + +Usage +------------------------------------------------------- + +* **click:** select clicked residue/atom +* **shift click:** select clicked residue/atom an extend selection +* **return**: center view on selected atoms + + +.. pv-sample:: + + + + diff --git a/tracking/viewers/pv/doc/sample-static-label.rst b/tracking/viewers/pv/doc/sample-static-label.rst new file mode 100644 index 000000000..6cf3f290a --- /dev/null +++ b/tracking/viewers/pv/doc/sample-static-label.rst @@ -0,0 +1,45 @@ +Displaying a static label on top of the viewer +======================================================= + +This sample demonstrates how to add a custom static label on top of the viewer. + +The label is added as the first child of the element containing the viewer and is positioned with absolute coordinates. The background is set to have an alpha component of 0, so that the viewer shines through the label. + +In the sample code, the label is inserted using JavaScript. That's not a requirement and you can also just define it inside the viewer element directly. The important part is that it is placed using absolute coordinates on top of the viewer. + + +.. pv-sample:: + + + + + diff --git a/tracking/viewers/pv/doc/sample-structure-with-ligands.rst b/tracking/viewers/pv/doc/sample-structure-with-ligands.rst new file mode 100644 index 000000000..863eb5ef6 --- /dev/null +++ b/tracking/viewers/pv/doc/sample-structure-with-ligands.rst @@ -0,0 +1,33 @@ +Display protein together with ligands +======================================== + +This sample shows how to render a protein in cartoon mode and display the contained ligands as balls-and-sticks. For this particular example, we have chosen the dengue methyl transferase structure (1r6a) which contains a s-adenosyl homocysteine and the inhibitor ribavirin 5' triphosphate. + + +.. pv-sample:: + + diff --git a/tracking/viewers/pv/doc/samples.rst b/tracking/viewers/pv/doc/samples.rst new file mode 100644 index 000000000..786011d88 --- /dev/null +++ b/tracking/viewers/pv/doc/samples.rst @@ -0,0 +1,15 @@ +PV Usage Code Samples +=============================== + +.. toctree:: + :maxdepth: 1 + + sample-structure-with-ligands + sample-ensemble + sample-hover + sample-select + sample-static-label + sample-3d-label + sample-custom-mesh + sample-measure-distance + sample-custom-property diff --git a/tracking/viewers/pv/doc/scene.rst b/tracking/viewers/pv/doc/scene.rst new file mode 100644 index 000000000..bcb212cd9 --- /dev/null +++ b/tracking/viewers/pv/doc/scene.rst @@ -0,0 +1,110 @@ +Rendered Molecules +========================================================================================= + +The displaying of molecules is handled by :class:`pv.BaseGeom`, and subclasses. The two subclasses ``LineGeom`` and ``MeshGeom`` are use for line and mesh-based render styles, respectively.The former for render styles which are based on simple lines (e.g. lines, smooth line trace and line trace), the latter for all other render styles, e.g. cartoon, balls and sticks, spheres, tube and trace. + +.. class:: pv.BaseGeom() + + Represents a geometric object. Note that this class is not part of the public API. New instances are create by calling one of the :ref:`render functions `. + +.. function:: pv.BaseGeom.showRelated() + pv.BaseGeom.setShowRelated(what) + + Controls the display of symmetry-related copies of a molecular structure. When set to 'asym', no symmetry-related copies are rendered, even when they are available. When set to a non-empty string, the Assembly of the given name is used. In case no such assembly exists, the asymmetric unit is shown. See symmetry for a more detailed description. + + :param what: the new name of the symmetry related copies to be displayed + :return: the name of the symmetry related copy shown. + +.. function:: pv.BaseGeom.setOpacity(alpha) + + Set the opacity of the whole geometry to a constant value. See :ref:`pv.color.opacity` for details. + + :param alpha: The new opacity in the range between 0 and 1. + +.. function:: pv.BaseGeom.colorBy(colorOp) + pv.BaseGeom.colorBy(colorOp, view) + + Color the geometry by the given color operation. For a description of available color operations, see :doc:`coloring`. + + :param colorOp: The color operation to be applied to the structure. + + :param view: when specified, the color operation will only be applied to parts contained in the view. Other parts will be left untouched. When omitted, the color operation will be applied to the whole structure. + +.. function:: pv.BaseGeom.getColorForAtom(atom, color) + + Convenience function to obtain the current color of a given atom. + + :param atom: the atom for which to retrieve the color. Can be an :class:`~pv.mol.AtomView`, + or :class:`~pv.mol.Atom` instance, independent of whether the geometry was created + with a :class:`~pv.mol.Mol`, or :class:`~pv.mol.MolView` + :param color: array of length 4 into which the color is placed + :returns: the array holding the color, or null if the atom is not part of the rendered geometry + +.. function:: pv.BaseGeom.setSelection(selection) + pv.BaseGeom.selection() + + Get/set selection of the render geometry, e.g. the part of the structure that is drawn as selected. The viewer draws a halo around the selected parts of the structure using the current highlight color. + + :param selection: the subset of the structure to be selected/highlighted. + +.. function:: pv.BaseGeom.eachCentralAtom(callback) + + Helper function for looping over all visible central atoms, including symmetry related ones + + This function invokes the callback function for all symmetry copies of every visible central atom contained in this object. The callback takes two arguments, the first being the central atom, the second the atom position with the symmetry-operator's transformation matrix applied. Note that the transformed atom position is only to be used inside the callback. If you want to store the transformed position, or modify it, a copy must be obtained first. + + **Example:** + + .. code-block:: javascript + + var obj = viewer.get('my.object'); + var sum = vec3.create(); + var count = 0; + obj.eachCentralAtom(function(atom, transformedPos) { + count += 1; + vec3.add(sum, sum, transformedPos); + }); + var center = vec3.scale(sum, sum, 1.0/count); + viewer.setCenter(center); + + +.. _pv.scene.geometric-shapes: + +Drawing Geometric Shapes +========================================================================================= + +Geometric shapes can be added to the 3D scene through :class:`pv.CustomMesh`. At the moment, only two shapes are supported: tubes and spheres. More can be added on request. A new :class:`pv.CustomMesh` instance can be obtained by calling :func:`pv.Viewer.customMesh`. + +**Example** + + +.. code-block:: javascript + + var cm = viewer.customMesh('cross'); + cm.addTube([-50,0,0], [50,0,0], 1, { cap : true, color : 'red' }); + cm.addTube([0,-50,0], [0,50,0], 1, { cap : true, color : 'green' }); + cm.addTube([0,0, -50], [0,0,50], 1, { cap : true, color : 'blue' }); + cm.addSphere([0, 0, 0], 3, { color : 'yellow' }); + +.. class:: pv.CustomMesh + + Holds a collection of user-defined geometric shapes + + +.. function:: pv.CustomMesh.addTube(start, end, radius[, options]) + + Adds a tube (open or capped) to the custom mesh container + + :param start: 3-dimensional start coordinate of the tube + :param end: 3-dimensional end coordinate of the tube + :param radius: radius in Angstrom + :param options: a dictionary with the following keys. *color*: when provided, used as the color for the tube, *cap* when set to false, the tube is left open, meaning the ends are not capped. *userData*: when provided the user data is added to the object. This data is available when a pick event (click/double click occurs on the object as the target of the pick event. When not provided, userData is set to null. + +.. function:: pv.CustomMesh.addSphere(center, radius[, options]) + + Adds a sphere to the custom mesh container + + :param center: 3-dimensional center coordinate for the sphere + :param radius: radius in Angstrom + :param options: a dictionary with the following keys. *color*: when provided, used as the color for the tube. *userData*: when provided the user data is added to the object. This data is available when a pick event (click/double click occurs on the object as the target of the pick event. When not provided, userData is set to null. + diff --git a/tracking/viewers/pv/doc/superpose.rst b/tracking/viewers/pv/doc/superpose.rst new file mode 100644 index 000000000..8858797f5 --- /dev/null +++ b/tracking/viewers/pv/doc/superpose.rst @@ -0,0 +1,42 @@ +Superposition of structures +========================================================================================= + +PV has support for pair-wise superposition of structures through the :func:`pv.mol.superpose` function. The function takes two structures (subject and reference) and calculates a transformation that transforms subject's atoms to the reference. + + + +.. function:: pv.mol.superpose(subject, reference) + + :param subject: the structure to be transformed. + :type subject: :class:`~pv.mol.Mol` or :class:`~pv.mol.MolView` + + :param reference: the structure to superpose onto + :type reference: :class:`~pv.mol.Mol` or :class:`~pv.mol.MolView` + + Both structures must have the exact same number of atoms and contain at least 3 atoms. If any of these conditions is violated, no superposition is performed and false is returned. The atoms in the two structures are paired in order they appear in the two structures. For creating matching structures betwen reference an subject consider using :func:`~pv.mol.matchResiduesByNum`, or :func:`~pv.mol.matchResiduesByIndex`. + + Upon success, all atoms in *subject* are shifted and rotated according to the calculated transformation matrix. When *subject* is a view, atoms that are part of the full structure but not part of the view are transformed as well. This allows to use a subset of atoms for the superposition, while still transforming all of the *subject* atoms. + + + +.. function:: pv.mol.matchResiduesByIndex(inA, inB[, atoms]) + pv.mol.matchResiduesByNum(inA, inB[, atoms]) + + Helper functions to create views with matching number of atoms that can be used as input to the superpose function. + + In case the structure contains multiple chains, the chains are matched by their index. When the two structures do not contain the same number of chains, chains that do not have a corresponding chain in the other structure are discarded. + + The matching of residues in a chain depends on the exact function used: + + * :func:`~pv.mol.matchResiduesByIndex` matches residues in a chain by their index. It is required that the matched chains have the same number of residues. If this condition does not hold, matching is aborted and null returned. + + * :func:`~pv.mol.matchResiduesByNum` matches residues by their residues number. The residues in the output view appear in the same order they appear in the first structure. + + For each matched residue pair only atoms present in both residues are included. When the *atoms* parameter is provided, the atoms are further filtered by the specified criteria. When *atoms* is set to ``'all'`` or ``null``, all atoms that are present in both residues are included in the result. When *atoms* is ``'backbone'``, only backbone atoms are included. Otherwise *atoms* is a comma-separated list of atoms names to be included. + + :param inA: First structure + :type inA: :class:`~pv.mol.Mol` or :class:`~pv.mol.MolView` + :param inB: Second structure + :type inB: :class:`~pv.mol.Mol` or :class:`~pv.mol.MolView` + :param atoms: The subset of atoms to be included in the two views. Must either be null, string or a list of strings. + :returns: An array of length two containing the two created views as ``[outA, outB]``. diff --git a/tracking/viewers/pv/doc/viewer.rst b/tracking/viewers/pv/doc/viewer.rst new file mode 100644 index 000000000..4d3aae5bd --- /dev/null +++ b/tracking/viewers/pv/doc/viewer.rst @@ -0,0 +1,467 @@ +The Viewer +================================================================================ + + +The 3D molecules are managed and rendered by an instance of the viewer class. It serves as the main entry point for the protein viewer and is where most of the action happens. In the following, the full API of :class:`~pv.Viewer` is described. The methods are roughly categorized into the following sections: + + * :ref:`pv.viewer.init` + * :ref:`pv.viewer.rendering` + * :ref:`pv.viewer.camera` + * :ref:`pv.viewer.events` + * :ref:`pv.viewer.management` + + +.. _pv.viewer.init: + +Initialization and Configuration +-------------------------------------------------------------------------------- + +.. class:: pv.Viewer(parentElement[,options]) + + Construct a new viewer, inserting it as the last child of parentElement. *options* is as dictionary that allows to control the initial settings for the viewer. Many of these settings can be changed later. The default options are chosen very restrictive on purpose. Valid options are: + + * *width* The width (in pixels) of the viewer. The special value 'auto' can be used to set the width to the width of the parent element. Defaults to 500. + * *height* The height (in pixels) of the viewer. The special value 'auto' can be used to set the height to the height of the parent element. Defaults to 500. + * *antialias*: whether full-scene antialiasing should be enabled. When available, antialiasing will use the built-in WebGL antialiasing. When not, it will fall back to a manual supersampling of the scene. Manual antialiasing can be disabled by setting the *forceManualAntialiasing* option to false. Enabling antialiasing improve the visual results considerably, but also slows down rendering. When rendering speed is a concern, the *antialias* option should be set to false. Defaults to false. + * *forceManualAntialiasing*: whether manual antialiasing should be enabled. Manual antialiasing is used when the WebGL context does not support antialiasing. Set this option to false to disable the fallback behavior and only enable antialising when the WebGL context supports it. Defaults to true. + * *quality* the level of detail for the geometry. Accepted values are *low*, *medium*, and *high*. See :func:`~pv.Viewer.quality` for a description of these values. Defaults to *low*. + * *slabMode* sets the default slab mode for the viewer. See :func:`~pv.Viewer.slabMode` for possible values. Defaults to 'auto'. + * *background* set the default background color of the viewer. Defaults to 'white'. See :ref:`pv.color.notation` + * *doubleClick* set the event handler for an atom double click/touch event. When the parameter is a function it is added as a new 'doubleClick' event handler. See :func:`~pv.Viewer.addListener` for details. If it is set to the special value 'center', an event listener is installed that centers the viewer on the double clicked atom, residue. The default is 'center'. + * *click* set the event handler for an atom click/touch event (see *doubleClick*). The default is null (no listener). + * *animateTime* controls the default animation duration in milliseconds. By default, the animation is set to 0 (no animation). By setting it to higher values, rotation, zoom and shift are animated. Note that enabling this can have negative impact on performance, especially with large molecules and on low-end devices. + * *fog* whether depth-cue ('fog') should be enabled. By default, fog is enabled. Pass false to disable fog. + * *fov* the field of view in degrees. Default is 45 degrees. + * *outline* whether outline rendering should be enabled. When enabled, outline rendering draws a uniformly colored outline around the mesh geometries to improve contrast. By default outline rendering is enabled. + * *outlineColor* the color of the outline. Default is black. When outline rendering is disabled, setting this value has no effect. + * *outlineWidth* the width of the outline in pixels. Default is 1.5. When outline rendering is disabled, setting this value has no effect. + + +The following code defines a new viewer. This can be done during page load time, before the DOMContentLoaded event has been emitted. Render objects can only be added once the DOMContentLoaded event has fired. Typically it's best to put any object loading and display code into a DOMContentLoaded event handler. + +.. code-block:: javascript + + // override the default options with something less restrictive. + var options = { + width: 600, + height: 600, + antialias: true, + quality : 'medium' + }; + // insert the viewer under the Dom element with id 'gl'. + var viewer = pv.Viewer(document.getElementById('gl'), options); + + viewer.on('viewerReady', function() { + // add structure here + }); + +.. function:: pv.Viewer.quality([value]) + + Gets (or sets) the default level of detail for the render geometry. This property sets the default parameters for constructing render geometry, for example the number of arcs that are used for tubes, or the number of triangles for one sphere. Accepted values are + + * *low* The geometry uses as few triangles as possible. This is the fastest, but also visually least pleasing option. Use this option, when it can be assumed that very large molecules are to be rendered. + + * *medium* provides a good tradeoff between visual fidelity and render speed. This options should work best for typical proteins. + + * *high* render the scene with maximum detail. + + Changes to the quality only affect newly created objects/geometries. Already existing objects/geometries are not affected. + + +.. _pv.viewer.rendering: + +Rendering +-------------------------------------------------------------------------------- + +This section describes the high-level API for displaying molecular structures on screen. The interface consists of render methods part of :class:`~pv.Viewer` which accept a name and a structure and create a graphical representation out of it. For example, to create a cartoon representation, the following code will do: + +.. code-block:: javascript + + // creates a cartoon representation with standard parameters + var myCartoon = viewer.cartoon('molecule', myMolecule); + + +These methods will automatically add the object to the viewer, there is not need to call :func:`pv.Viewer.add` on the object. + + +.. function:: pv.Viewer.lines(name, structure[, options]) + + Renders the structure (:class:`~pv.mol.Mol`, or :class:`~pv.mol.MolView`) at full connectivity level, using lines for the bonds. Atoms with no bonds are represented as small crosses. Valid *options* are: + + * *color*: the color operation to be used. Defaults to :func:`pv.color.byElement`. + * *lineWidth*: The line width for bonds and atoms. Defaults to 4.0 + + :returns: The geometry of the object. + +.. function:: pv.Viewer.points(name, structure[, options]) + + Renders the atoms of a structure (:class:`~pv.mol.Mol`, or :class:`~pv.mol.MolView`) as a point cloud. Valid *options* are: + + * *color*: the color operation to be used. Defaults to :func:`pv.color.byElement`. + * *pointSize* relative point size of the points to be rendered. Defaults to 1.0 + + :returns: The geometry of the object. + + +.. function:: pv.Viewer.spheres(name, structure[, options]) + + Renders the structure (:class:`~pv.mol.Mol`, or :class:`~pv.mol.MolView`) at full-atom level using a sphere for each atom. Valid *options* are: + + * *color*: the color operation to be used. Defaults to :func:`pv.color.byElement`. + * *sphereDetail*: the number of horizontal and vertical arcs for the sphere. The default *sphereDetail* is determined by :func:`pv.Viewer.quality()`. + + +.. function:: pv.Viewer.lineTrace(name, structure[, options]) + + Renders the protein part of the structure (:class:`~pv.mol.Mol`, or :class:`~pv.mol.MolView`) as a Carbon-alpha trace using lines. Consecutive carton alpha atoms are connected by a straight line. For a mesh-based version of the Carbon-alpha trace, see :func:`pv.Viewer.trace`. + + * *color*: the color operation to be used. Defaults to :func:`~pv.color.uniform`. + * *lineWidth*: The line width for bonds and atoms. Defaults to 4.0 + +.. function:: pv.Viewer.sline(name, structure[, options]) + + Renders the protein part of the structure (:class:`~pv.mol.Mol`, or :class:`~pv.mol.MolView`) as a smooth line trace. The Carbon-alpha atoms are used as the control points for a Catmull-Rom spline. For a mesh-based version of the smooth line trace, see :func:`pv.Viewer.tube`. + + * *color*: the color operation to be used. Defaults to :func:`~pv.color.uniform`. + * *lineWidth*: The line width for bonds and atoms. Defaults to 4.0 + * *strength*: influences the magnitude of the tangents for the Catmull-Rom spline. Defaults to 0.5. Meaningful values are between 0 and 1. + * *splineDetail*: Number of subdivision per Carbon alpha atom. The default value is is determined by :func:`pv.Viewer.quality`. + +.. function:: pv.Viewer.trace(name, structure[, options]) + + Renders the structure (:class:`~pv.mol.Mol`, or :class:`~pv.mol.MolView`) as a carbon-alpha trace. Consecutive Carbon alpha atoms (CA) are connected by a cylinder. For a line-based version of the trace render style, see :func:`pv.Viewer.lineTrace`. Accepted *options* are: + + * *color*: the color operation to be used. Defaults to :func:`~pv.color.uniform`. + * *radius*: Radius of the tube. Defaults to 0.3. + * *arcDetail*: number of vertices on the tube. The default is determined by :func:`pv.Viewer.quality`. + * *sphereDetail* number of vertical and horizontal arcs for the spheres. + + + + +.. function:: pv.Viewer.tube(name, structure[, options]) + + Renders the structure (:class:`~pv.mol.Mol`, or :class:`~pv.mol.MolView`) as a smoothly interpolated tube. + + * *color*: the color operation to be used. Defaults to :func:`pv.color.bySS`. + * *radius*: Radius of the tube. Defaults to 0.3. + * *arcDetail*: number of vertices on the tube. The default is determined by :func:`pv.Viewer.quality`. + * *strength*: influences the magnitude of the tangents for the Catmull-Rom spline. Defaults to 1.0. Meaningful values are between 0 and 1. + * *splineDetail* number of subdivisions per Carbon-alpha atom. The default is termined by :func:`pv.Viewer.quality`. + +.. function:: pv.Viewer.cartoon(name, structure[, options]) + + Renders the structure (:class:`~pv.mol.Mol`, or :class:`~pv.mol.MolView`) as a + helix, strand coil cartoon. Accepted *options* are: + + * *color*: the color operation to be used. Defaults to :func:`pv.color.bySS`. + * *radius*: Radius of the tube profile. Also influences the profile thickness for helix and strand profiles. Defaults to 0.3. + * *arcDetail*: number of vertices on the tube. The default is determined by :func:`pv.Viewer.quality`. + * *strength*: influences the magnitude of the tangents for the Catmull-Rom spline. Defaults to 1.0. Meaningful values are between 0 and 1. + * *splineDetail* number of subdivisions per Carbon-alpha atom. The default is termined by :func:`pv.Viewer.quality`. + +.. function:: pv.Viewer.ballsAndSticks(name, structure[,options]) + + Renders the structure (:class:`~pv.mol.Mol`, or :class:`~pv.mol.MolView`) as a + ball and stick model. Accepted *options* are: + + * *color*: the color operation to be used. Defaults to :func:`pv.color.byElement`. + * *cylRadius*: Radius of the tube profile. Defaults to 0.1. + * *sphereRadius*: Radius of the sphere profile. Defaults to 0.3. + * *arcDetail*: number of vertices on the tube. The default is determined by :func:`pv.Viewer.quality`. + * *sphereDetail* number of vertical and horizontal arcs for the spheres. + * *scaleByAtomRadius* Whether to scale spheres by atom's van der Waals radius. Defaults to true. + +.. function:: pv.Viewer.renderAs(name, structure, mode[,options]) + + Function to render the structure in any of the supported render styles. This essentially makes it possible to write code that is independent of the particular chosen render style. + + :param mode: One of 'sline', 'lines', 'trace', 'lineTrace', 'cartoon', 'tube', 'spheres', ballsAndSticks' + :param options: options dictionary passed to the chosen render mode. Refer to the documentation for the specific mode for a list of supported options. + :returns: The created geometry object. + + +.. function:: pv.Viewer.label(name, text, pos[, options]) + + Places a label with *text* at the given position in the scene + + :param name: Uniquely identifies the label + :param text: The text to be shown + :param pos: An array of length 3 holding the x, y, and z coordinate of the label's center. + :param options: Optional dictionary to control the font, text style and size of the label (see below) + + Accepted *options* are: + + * *font*: name of the font. Accepted values are all HTML/CSS font families. Default is 'Verdana'. + * *fontSize*: the size of the font in pixels. Default is 24. + * *fontColor*: the CSS color to be used for rendering the text. Default is black. + * *fontStyle* the font style. Can by any combination of 'italic', 'bold'. Default is 'normal'. + + :returns: the created label. + +.. function:: pv.Viewer.customMesh(name) + + Creates a new object to hold user-defined collection of geometric shapes. For details on how to add shapes, see :ref:`pv.scene.geometric-shapes` + + :param name: uniquely identifies the custom mesh. + + :returns: A new :class:`pv.CustomMesh` instance. + +.. _pv.viewer.camera: + +Camera Positioning/Orientation +--------------------------------------------------------------------------------- + +.. function:: pv.Viewer.setCamera(rotation, center, zoom[, ms]) + + Function to directly set the rotation, center and zoom of the camera. + + + The combined transformation matrix for the camera is calculated as follows: First the origin is shifted to the center, then the rotation is applied, and lastly the camera is translated away from the center by the negative zoom along the rotated Z-axis. + + :param rotation: Either a 4x4 or 3x3 matrix in the form of a one-dimensional array of length 16 or 9. It is up to the caller to ensure the matrix is a valid rotation matrix. + :param center: the new camera center. + :param zoom: distance of the eye position from the viewing center + :param ms: if provided and non-zero defines the animation time for moving/rotating/zooming the camera from the current position to the new rotation,center and zoom. If zero, the rotation/center and zoom factors are directly set to the desired values. The default is zero. + + +.. function:: pv.Viewer.setRotation(rotation[, ms]) + + Function to directly set the rotation of the camera. This is identical to calling :class:`~pv.Viewer.setCamera` with the current center and zoom values. + + :param rotation: Either a 4x4 or 3x3 matrix in the form of a one-dimensional array of length 16 or 9. It is up to the caller to make sure the matrix is a rotation matrix. + :param ms: if provided and non-zero defines the animation time rotating the camera from the current rotation to the target rotation. If zero, the rotation is immediately set to the target rotation. The default is zero. + +.. function:: pv.Viewer.setCenter(center[, ms]) + + Function to directly set the center of view of the camera. This is identical to calling :class:`~pv.Viewer.setCamera` with the current rotation and zoom values. + + :param center: The new center of view of the "center". + :param ms: if provided and non-zero defines the time in which the camera center moves from the current center the target center. If zero, the center is immediately set to the target center. The default is zero. + + +.. function:: pv.Viewer.setZoom(zoom[, ms]) + + Function to directly set the zoom factor of the camera. This is identical to calling :class:`~pv.Viewer.setCamera` with the current rotation and center values. + + :param zoom: The distance of the camera from the "center". Only positive values are allowed. + :param ms: if provided and non-zero defines the time in which the camera zoom level moves from thecurrent zoom level to the target zoom. If zero, the zoom is immediately set to the target zoom. The default is zero. + +.. function:: pv.Viewer.centerOn(obj) + + Center the camera on a given object, leaving the zoom level and orientation untouched. + + :param obj: Must be an object implementing a *center* method returning the center of the object, e.g. an instance of :class:`pv.mol.MolView`, :class:`pv.mol.Mol` + + +.. function:: pv.Viewer.autoZoom([ms]) + + Adjusts the zoom level such that all objects are visible on screen and occupy as much space as possible. The center and orientation of the camera are not modified. + + :param ms: if provided and non-zero defines the time in which the camera zoom level moves from the current zoom level to the target zoom. If zero, the zoom is immediately set to the target zoom. If no value is provided it use the default animation time of the viewer. + +.. function:: pv.Viewer.fitTo(obj [, ms]) + + Adjust the zoom level and center of the camera to fit the viewport to a given object. The method supports fitting to selections, or arbitrary SceneNodes. To fit to a subset of atoms, pass the selection as the *obj* argument: + + :param ms: if provided and non-zero defines the time in which the camera zoom level moves from the current zoom level to the target zoom. If zero, the zoom is immediately set to the target zoom. If no value is provided it will use the default animation time of the viewer. + + .. code-block:: javascript + + viewer.fitTo(structure.select({rname : 'RVP'}); + + To fit to an entire render objects, pass the object as the *obj* argument: + + .. code-block:: javascript + + var obj = viewer.cartoon('obj', structure); + viewer.fitTo(obj); + + :param what: must be an object which implements updateProjectionInterval, e.g. a SceneNode, a :class:`pv.mol.MolView`, or :class:`pv.mol.Mol`. + + +.. function:: pv.Viewer.translate(vector, ms) + + Translate the viewer center. + + :param vector: The 3-dimensional vector to translate by. The vector is in screen coordinates, e.g. the vector [1,0,0] is aligned to the X-axis as currently seen on screen. + :param ms: When provided, the translation is animated from the current to the target position. When omitted (or 0) the camera is immediately set to the target position. + + +.. function:: pv.Viewer.rotate(axis, angle, ms) + + Rotate the viewer around an axis by a certain amount. + + :param axis: 3-dimensional axis to rotate around. The axes are in the screen coordinate system, meaning the X- and Y-axes are aligned to the screen's X and Y axes and the Z axis points towards the camera's eye position. The default rotation axis is [0,1,0]. The axis must be normalized. + + :param angle: the rotation angle in radians. When positive, the rotation is in counter-clockwise direction, when negative, the rotation is in clockwise-direction. The rotation angle is always used modulo 2π. + + :param ms: When provided, the rotation is animated from the current to the target rotation. When omitted (or 0) the camera is immediately rotation to the target rotation. + +.. function:: pv.Viewer.spin(enable) + pv.Viewer.spin(speed[, axis]) + + Enable/disable spinning of the viewer around a screen axis. + + The first signature enables/disables spinning with default parameters, the second allows to control the speed as well as the axis to rotate around. + + :param enable: whether spinning should be enabled. When false, spinning is disabled. When true, spinning is enabled around the y axis with a default speed of Math.PI/8, meaning a full rotation takes 16 seconds. + :param axis: 3 dimensional axis to rotate around. The axes are in the screen coordinate system, meaning the X- and Y-axes are aligned to the screen's X and Y axes and the Z axis points towards the camera's eye position. The default rotation axis is [0,1,0]. The axis must be normalized. + + :param speed: The number of radians per second to rotate. When positive, rotation is in counter-clockwise direction, when negative rotation is in clockwise direction. + + :return: true when spinning is enabled, false if not. + +.. function:: pv.Viewer.requestRedraw() + + Request a redraw of the viewer, e.g. to refresh the content visible on the screen. Most of the time, you will not have to call this function directly. However, if you notice that a certain change is not taking effect, try adding requestRedraw(). + + +Fog and Slab Modes +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Proteins come in all sizes and shapes. For optimal viewing, some camera parameters must thus be adjusted for each molecule. Two of these parameters are the near and far clipping planes of the camera. Only geometry between the near and far clipping plane are visible on the screen. Geometry in front of the near and at the back of the far clipping planes are clipped away. Typically, the near and far clipping planes must be set such that contain all visible geometry in front of the camera. However, sometimes it is desired to only show a certain 'slab' of the molecule. To support both of these scenarios, PV has multiple modes, called slab modes. + + +.. function:: pv.Viewer.slabMode(mode[,options) + + Sets the current active slab mode of the viewer. *mode* must be one of 'fixed' or 'auto'. + + * When slab mode is set to 'auto', the near and far clipping planes as well as fog are adjusted based on the visible geometry. This causes the clipping planes to be updated on every rotation of the camera, change of camera's viewing center and when objects are added/removed. + + * When the slab mode is set to 'fixed', automatic adjustment of the near and far clipping planes as well as fog is turned off. The values are kept constant and can be set by the user. To set specific near and far clipping planes provide them in a dictionary as the option argument when calling slabMode: + + .. code-block:: javascript + + viewer.slabMode('fixed', { near: 1, far : 100 }); + + + + +.. _pv.viewer.events: + +Viewer Events +--------------------------------------------------------------------------------- + +Custom viewer event handlers can be registered by calling :func:`pv.Viewer.addListener`. These callbacks have the following form. + +.. function:: pv.Viewer.addListener(type, callback) + pv.Viewer.on(type, callback) + + :param type: The type of event to listen to. Must be either 'atomClicked', 'atomDoubleClicked', 'viewerReady', 'keypress', 'keydown', 'keyup', 'mousemove', 'mousedown', 'mouseup', or 'viewpointChanged'. + + When an event fires, callbacks registered for that event type are invoked with type-specific arguments. See documentation for the individual events for more details + + +.. _pv.viewer.events.init: + +Initialization Event (viewerReady) +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Invoked when the viewer is completely initialized and is ready for displaying of structures. It's recommended to put calls to any of the :ref:`geometry-creating funtions` into a viewerReady callback as they expect a completely constructed viewer. It's however possible to start loading the structure data before 'viewerReady', as long as they are not added to the viewer. + +Callbacks receive the initialized viewer as the first argument. + +When the 'viewerReady' callback is registered *after* the page has finished loading, the event callback is directly invoked from :func:`addListener/on`. + +The following code example shows how to add a yellow sphere to the center of the scene: + +.. code-block:: javascript + + // insert the viewer under the Dom element with id 'gl'. + var viewer = pv.Viewer(document.getElementById('gl'), options); + + viewer.on('viewerReady', function(viewer) { + var customMesh = viewer.customMesh('yellowSphere'); + customMesh.addSphere([0,0,0], 5, { color : 'yellow' }); + }); + + +.. _pv.viewer.events.mouse: + +Mouse Interaction Events (click, doubleClick) +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Mouse selection events are fired when the user clicks or double clicks on the viewer. + +The arguments of the callback function are *picked*, and *originalEvent* which is the original mouse event. Picked contains information about the scene nodes that was clicked/doubleClicked as well as target of the event. For representations of molecules, the target is always an atom, for custom meshes target is set to the user-specified data stored in the mesh when calling :func:`~pv.CustomMesh.addTube`, or :func:`~pv.CustomMesh.addSphere`. When no object was under the cursor, picked is null. + +It also contains a transformation matrix, that if set needs to be applied to the atom's position to get the correct position in global coordinates. This is illustrated in the second example below. + +The following code simply logs the clicked atom to the console when an atom is clicked and does nothing otherwise. + +.. code-block:: javascript + + viewer.addListener('click', function(picked) { + if (picked === null) return; + var target = picked.target(); + if (target.qualifiedName !== undefined) { + console.log('clicked atom', target.qualifiedName(), 'on object', + picked.node().name()); + } + }); + +The following code shows how to listen for double click events to either make the selection the focal point and center of zoom, or zoom out to the whole structure if the background is double clicked. + +.. code-block:: javascript + + var structure = .... // point to what you want the default background selection to view + viewer.on('doubleClick', function(picked) { + if (picked === null) { + viewer.fitTo(structure); + return; + } + viewer.setCenter(picked.pos(), 500); + }); + + + +Camera Position/Rotation/Zoom Changed Event (experimental) +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +The *viewpointChanged* event is fired whenever the camera orientation/center or zoom changes. The callback is invoked with the camera object as the first argument. As an example, the following code shows how to synchronize the orientation of two viewers. Whenever the orientation of one of them changes, the other is updated as well: + +.. code-block:: javascript + + viewer1.on('viewpointChanged', function(cam) { + viewer2.setCenter(cam.center()); + viewer2.setCamera(cam.rotation(), cam.center(), cam.zoom()); + }); + viewer2.on('viewpointChanged', function(cam) { + viewer1.setCenter(cam.center()); + viewer1.setCamera(cam.rotation(), cam.center(), cam.zoom()); + }); + +This is an experimental feature and might change in future releases. + +.. _pv.viewer.management: + +Object Management +-------------------------------------------------------------------------------- + +Multiple render objects can be displayed at once. To be able to refer to these objects, all objects need to be assigned a name that uniquely identifies them. :class:`~pv.Viewer` offers methods to conveniently add, retrieve objects, or remove them from the viewer. + + +.. function:: pv.Viewer.add(name, obj) + + Add a new object to the viewer. The object's name property will be set to name, under which it can be referenced in the future. Typically, there is no need to call add, since the objecs will be automatically added to the viewer when they are created. + + :returns: A reference to *obj*. + +.. function:: pv.Viewer.get(name) + + Retrieve the reference to an object that has previously been added to the viewer. When an object matching the name could be found, it is returned. Otherwise, null is returned. + +.. function:: pv.Viewer.hide(globPattern) + pv.Viewer.show(globPattern) + + Hide/show objects matching glob pattern. The render geometry of hidden objects is retrained, but is not longer visible on the screen, nor are they available for object picking. + +.. function:: pv.Viewer.rm(globPattern) + + Remove objects matching glob pattern from the viewer. + +.. function:: pv.Viewer.clear() + + Remove all objects from the viewer. In case you are calling this function, but are not adding new content after that, you will need to call :func:`~pv.Viewer.requestRedraw` to update the content of the screen. + diff --git a/tracking/viewers/pv/favicon.ico b/tracking/viewers/pv/favicon.ico new file mode 100644 index 000000000..1ef5b8271 Binary files /dev/null and b/tracking/viewers/pv/favicon.ico differ diff --git a/tracking/viewers/pv/index.html b/tracking/viewers/pv/index.html new file mode 100644 index 000000000..6e04c7057 --- /dev/null +++ b/tracking/viewers/pv/index.html @@ -0,0 +1,117 @@ + + + + pv - JavaScript protein viewer + + + + + + + + + + + + +
        + Start +
        + + + diff --git a/tracking/viewers/pv/js/blanket.min.js b/tracking/viewers/pv/js/blanket.min.js new file mode 100644 index 000000000..84f8fa744 --- /dev/null +++ b/tracking/viewers/pv/js/blanket.min.js @@ -0,0 +1,40 @@ + +/*! blanket - v1.1.5 */ +"undefined"!=typeof QUnit&&(QUnit.config.autostart=!1),function(a){/* + Copyright (C) 2013 Ariya Hidayat + Copyright (C) 2013 Thaddee Tyl + Copyright (C) 2013 Mathias Bynens + Copyright (C) 2012 Ariya Hidayat + Copyright (C) 2012 Mathias Bynens + Copyright (C) 2012 Joost-Wim Boekesteijn + Copyright (C) 2012 Kris Kowal + Copyright (C) 2012 Yusuke Suzuki + Copyright (C) 2012 Arpad Borsos + Copyright (C) 2011 Ariya Hidayat + + Redistribution and use in source and binary forms, with or without + modification, are permitted provided that the following conditions are met: + + * Redistributions of source code must retain the above copyright + notice, this list of conditions and the following disclaimer. + * Redistributions in binary form must reproduce the above copyright + notice, this list of conditions and the following disclaimer in the + documentation and/or other materials provided with the distribution. + + THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" + AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE + IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE + ARE DISCLAIMED. IN NO EVENT SHALL BE LIABLE FOR ANY + DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES + (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; + LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND + ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT + (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF + THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. +*/ +!function(b,c){"use strict";"function"==typeof a&&a.amd?a(["exports"],c):c("undefined"!=typeof exports?exports:b.esprima={})}(this,function(a){"use strict";function b(a,b){if(!a)throw new Error("ASSERT: "+b)}function c(a){return a>=48&&57>=a}function d(a){return"0123456789abcdefABCDEF".indexOf(a)>=0}function e(a){return"01234567".indexOf(a)>=0}function f(a){return 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diff --git a/tracking/viewers/pv/js/foundation-5.4.7.min.js b/tracking/viewers/pv/js/foundation-5.4.7.min.js new file mode 100644 index 000000000..3db8f4362 --- /dev/null +++ b/tracking/viewers/pv/js/foundation-5.4.7.min.js @@ -0,0 +1,5725 @@ +/* + * Foundation Responsive Library + * http://foundation.zurb.com + * Copyright 2014, ZURB + * Free to use under the MIT license. + * http://www.opensource.org/licenses/mit-license.php +*/ + +(function ($, window, document, undefined) { + 'use strict'; + + var header_helpers = function (class_array) { + var i = class_array.length; + var head = $('head'); + + while (i--) { + if(head.has('.' + class_array[i]).length === 0) { + head.append(''); + } + } + }; + + header_helpers([ + 'foundation-mq-small', + 'foundation-mq-medium', + 'foundation-mq-large', + 'foundation-mq-xlarge', + 'foundation-mq-xxlarge', + 'foundation-data-attribute-namespace']); + + // Enable FastClick if present + + $(function() { + if (typeof FastClick !== 'undefined') { + // Don't attach to body if undefined + if (typeof document.body !== 'undefined') { + FastClick.attach(document.body); + } + } + }); + + // private Fast Selector wrapper, + // returns jQuery object. Only use where + // getElementById is not available. + var S = function (selector, context) { + if (typeof selector === 'string') { + if (context) { + var cont; + if (context.jquery) { + cont = context[0]; + if (!cont) return context; + } else { + cont = context; + } + return $(cont.querySelectorAll(selector)); + } + + return $(document.querySelectorAll(selector)); + } + + return $(selector, context); + }; + + // Namespace functions. + + var attr_name = function (init) { + var arr = []; + if (!init) arr.push('data'); + if (this.namespace.length > 0) arr.push(this.namespace); + arr.push(this.name); + + return arr.join('-'); + }; + + var add_namespace = function (str) { + var parts = str.split('-'), + i = parts.length, + arr = []; + + while (i--) { + if (i !== 0) { + arr.push(parts[i]); + } else { + if (this.namespace.length > 0) { + arr.push(this.namespace, parts[i]); + } else { + arr.push(parts[i]); + } + } + } + + return arr.reverse().join('-'); + }; + + // Event binding and data-options updating. + + var bindings = function (method, options) { + var self = this, + should_bind_events = !S(this).data(this.attr_name(true)); + + + if (S(this.scope).is('[' + this.attr_name() +']')) { + S(this.scope).data(this.attr_name(true) + '-init', $.extend({}, this.settings, (options || method), this.data_options(S(this.scope)))); + + if (should_bind_events) { + this.events(this.scope); + } + + } else { + S('[' + this.attr_name() +']', this.scope).each(function () { + var should_bind_events = !S(this).data(self.attr_name(true) + '-init'); + S(this).data(self.attr_name(true) + '-init', $.extend({}, self.settings, (options || method), self.data_options(S(this)))); + + if (should_bind_events) { + self.events(this); + } + }); + } + // # Patch to fix #5043 to move this *after* the if/else clause in order for Backbone and similar frameworks to have improved control over event binding and data-options updating. + if (typeof method === 'string') { + return this[method].call(this, options); + } + + }; + + var single_image_loaded = function (image, callback) { + function loaded () { + callback(image[0]); + } + + function bindLoad () { + this.one('load', loaded); + + if (/MSIE (\d+\.\d+);/.test(navigator.userAgent)) { + var src = this.attr( 'src' ), + param = src.match( /\?/ ) ? '&' : '?'; + + param += 'random=' + (new Date()).getTime(); + this.attr('src', src + param); + } + } + + if (!image.attr('src')) { + loaded(); + return; + } + + if (image[0].complete || image[0].readyState === 4) { + loaded(); + } else { + bindLoad.call(image); + } + }; + + /* + https://github.com/paulirish/matchMedia.js + */ + + window.matchMedia = window.matchMedia || (function( doc ) { + + "use strict"; + + var bool, + docElem = doc.documentElement, + refNode = docElem.firstElementChild || docElem.firstChild, + // fakeBody required for + fakeBody = doc.createElement( "body" ), + div = doc.createElement( "div" ); + + div.id = "mq-test-1"; + div.style.cssText = "position:absolute;top:-100em"; + fakeBody.style.background = "none"; + fakeBody.appendChild(div); + + return function (q) { + + div.innerHTML = "­"; + + docElem.insertBefore( fakeBody, refNode ); + bool = div.offsetWidth === 42; + docElem.removeChild( fakeBody ); + + return { + matches: bool, + media: q + }; + + }; + + }( document )); + + /* + * jquery.requestAnimationFrame + * https://github.com/gnarf37/jquery-requestAnimationFrame + * Requires jQuery 1.8+ + * + * Copyright (c) 2012 Corey Frang + * Licensed under the MIT license. + */ + + (function($) { + + // requestAnimationFrame polyfill adapted from Erik Möller + // fixes from Paul Irish and Tino Zijdel + // http://paulirish.com/2011/requestanimationframe-for-smart-animating/ + // http://my.opera.com/emoller/blog/2011/12/20/requestanimationframe-for-smart-er-animating + + var animating, + lastTime = 0, + vendors = ['webkit', 'moz'], + requestAnimationFrame = window.requestAnimationFrame, + cancelAnimationFrame = window.cancelAnimationFrame, + jqueryFxAvailable = 'undefined' !== typeof jQuery.fx; + + for (; lastTime < vendors.length && !requestAnimationFrame; lastTime++) { + requestAnimationFrame = window[ vendors[lastTime] + "RequestAnimationFrame" ]; + cancelAnimationFrame = cancelAnimationFrame || + window[ vendors[lastTime] + "CancelAnimationFrame" ] || + window[ vendors[lastTime] + "CancelRequestAnimationFrame" ]; + } + + function raf() { + if (animating) { + requestAnimationFrame(raf); + + if (jqueryFxAvailable) { + jQuery.fx.tick(); + } + } + } + + if (requestAnimationFrame) { + // use rAF + window.requestAnimationFrame = requestAnimationFrame; + window.cancelAnimationFrame = cancelAnimationFrame; + + if (jqueryFxAvailable) { + jQuery.fx.timer = function (timer) { + if (timer() && jQuery.timers.push(timer) && !animating) { + animating = true; + raf(); + } + }; + + jQuery.fx.stop = function () { + animating = false; + }; + } + } else { + // polyfill + window.requestAnimationFrame = function (callback) { + var currTime = new Date().getTime(), + timeToCall = Math.max(0, 16 - (currTime - lastTime)), + id = window.setTimeout(function () { + callback(currTime + timeToCall); + }, timeToCall); + lastTime = currTime + timeToCall; + return id; + }; + + window.cancelAnimationFrame = function (id) { + clearTimeout(id); + }; + + } + + }( jQuery )); + + + function removeQuotes (string) { + if (typeof string === 'string' || string instanceof String) { + string = string.replace(/^['\\/"]+|(;\s?})+|['\\/"]+$/g, ''); + } + + return string; + } + + window.Foundation = { + name : 'Foundation', + + version : '5.4.7', + + media_queries : { + small : S('.foundation-mq-small').css('font-family').replace(/^[\/\\'"]+|(;\s?})+|[\/\\'"]+$/g, ''), + medium : S('.foundation-mq-medium').css('font-family').replace(/^[\/\\'"]+|(;\s?})+|[\/\\'"]+$/g, ''), + large : S('.foundation-mq-large').css('font-family').replace(/^[\/\\'"]+|(;\s?})+|[\/\\'"]+$/g, ''), + xlarge: S('.foundation-mq-xlarge').css('font-family').replace(/^[\/\\'"]+|(;\s?})+|[\/\\'"]+$/g, ''), + xxlarge: S('.foundation-mq-xxlarge').css('font-family').replace(/^[\/\\'"]+|(;\s?})+|[\/\\'"]+$/g, '') + }, + + stylesheet : $('').appendTo('head')[0].sheet, + + global: { + namespace: undefined + }, + + init : function (scope, libraries, method, options, response) { + var args = [scope, method, options, response], + responses = []; + + // check RTL + this.rtl = /rtl/i.test(S('html').attr('dir')); + + // set foundation global scope + this.scope = scope || this.scope; + + this.set_namespace(); + + if (libraries && typeof libraries === 'string' && !/reflow/i.test(libraries)) { + if (this.libs.hasOwnProperty(libraries)) { + responses.push(this.init_lib(libraries, args)); + } + } else { + for (var lib in this.libs) { + responses.push(this.init_lib(lib, libraries)); + } + } + + S(window).load(function(){ + S(window) + .trigger('resize.fndtn.clearing') + .trigger('resize.fndtn.dropdown') + .trigger('resize.fndtn.equalizer') + .trigger('resize.fndtn.interchange') + .trigger('resize.fndtn.joyride') + .trigger('resize.fndtn.magellan') + .trigger('resize.fndtn.topbar') + .trigger('resize.fndtn.slider'); + }); + + return scope; + }, + + init_lib : function (lib, args) { + if (this.libs.hasOwnProperty(lib)) { + this.patch(this.libs[lib]); + + if (args && args.hasOwnProperty(lib)) { + if (typeof this.libs[lib].settings !== 'undefined') { + $.extend(true, this.libs[lib].settings, args[lib]); + } + else if (typeof this.libs[lib].defaults !== 'undefined') { + $.extend(true, this.libs[lib].defaults, args[lib]); + } + return this.libs[lib].init.apply(this.libs[lib], [this.scope, args[lib]]); + } + + args = args instanceof Array ? args : new Array(args); // PATCH: added this line + return this.libs[lib].init.apply(this.libs[lib], args); + } + + return function () {}; + }, + + patch : function (lib) { + lib.scope = this.scope; + lib.namespace = this.global.namespace; + lib.rtl = this.rtl; + lib['data_options'] = this.utils.data_options; + lib['attr_name'] = attr_name; + lib['add_namespace'] = add_namespace; + lib['bindings'] = bindings; + lib['S'] = this.utils.S; + }, + + inherit : function (scope, methods) { + var methods_arr = methods.split(' '), + i = methods_arr.length; + + while (i--) { + if (this.utils.hasOwnProperty(methods_arr[i])) { + scope[methods_arr[i]] = this.utils[methods_arr[i]]; + } + } + }, + + set_namespace: function () { + + // Description: + // Don't bother reading the namespace out of the meta tag + // if the namespace has been set globally in javascript + // + // Example: + // Foundation.global.namespace = 'my-namespace'; + // or make it an empty string: + // Foundation.global.namespace = ''; + // + // + + // If the namespace has not been set (is undefined), try to read it out of the meta element. + // Otherwise use the globally defined namespace, even if it's empty ('') + var namespace = ( this.global.namespace === undefined ) ? $('.foundation-data-attribute-namespace').css('font-family') : this.global.namespace; + + // Finally, if the namsepace is either undefined or false, set it to an empty string. + // Otherwise use the namespace value. + this.global.namespace = ( namespace === undefined || /false/i.test(namespace) ) ? '' : namespace; + }, + + libs : {}, + + // methods that can be inherited in libraries + utils : { + + // Description: + // Fast Selector wrapper returns jQuery object. Only use where getElementById + // is not available. + // + // Arguments: + // Selector (String): CSS selector describing the element(s) to be + // returned as a jQuery object. + // + // Scope (String): CSS selector describing the area to be searched. Default + // is document. + // + // Returns: + // Element (jQuery Object): jQuery object containing elements matching the + // selector within the scope. + S : S, + + // Description: + // Executes a function a max of once every n milliseconds + // + // Arguments: + // Func (Function): Function to be throttled. + // + // Delay (Integer): Function execution threshold in milliseconds. + // + // Returns: + // Lazy_function (Function): Function with throttling applied. + throttle : function (func, delay) { + var timer = null; + + return function () { + var context = this, args = arguments; + + if (timer == null) { + timer = setTimeout(function () { + func.apply(context, args); + timer = null; + }, delay); + } + }; + }, + + // Description: + // Executes a function when it stops being invoked for n seconds + // Modified version of _.debounce() http://underscorejs.org + // + // Arguments: + // Func (Function): Function to be debounced. + // + // Delay (Integer): Function execution threshold in milliseconds. + // + // Immediate (Bool): Whether the function should be called at the beginning + // of the delay instead of the end. Default is false. + // + // Returns: + // Lazy_function (Function): Function with debouncing applied. + debounce : function (func, delay, immediate) { + var timeout, result; + return function () { + var context = this, args = arguments; + var later = function () { + timeout = null; + if (!immediate) result = func.apply(context, args); + }; + var callNow = immediate && !timeout; + clearTimeout(timeout); + timeout = setTimeout(later, delay); + if (callNow) result = func.apply(context, args); + return result; + }; + }, + + // Description: + // Parses data-options attribute + // + // Arguments: + // El (jQuery Object): Element to be parsed. + // + // Returns: + // Options (Javascript Object): Contents of the element's data-options + // attribute. + data_options : function (el, data_attr_name) { + data_attr_name = data_attr_name || 'options'; + var opts = {}, ii, p, opts_arr, + data_options = function (el) { + var namespace = Foundation.global.namespace; + + if (namespace.length > 0) { + return el.data(namespace + '-' + data_attr_name); + } + + return el.data(data_attr_name); + }; + + var cached_options = data_options(el); + + if (typeof cached_options === 'object') { + return cached_options; + } + + opts_arr = (cached_options || ':').split(';'); + ii = opts_arr.length; + + function isNumber (o) { + return ! isNaN (o-0) && o !== null && o !== "" && o !== false && o !== true; + } + + function trim (str) { + if (typeof str === 'string') return $.trim(str); + return str; + } + + while (ii--) { + p = opts_arr[ii].split(':'); + p = [p[0], p.slice(1).join(':')]; + + if (/true/i.test(p[1])) p[1] = true; + if (/false/i.test(p[1])) p[1] = false; + if (isNumber(p[1])) { + if (p[1].indexOf('.') === -1) { + p[1] = parseInt(p[1], 10); + } else { + p[1] = parseFloat(p[1]); + } + } + + if (p.length === 2 && p[0].length > 0) { + opts[trim(p[0])] = trim(p[1]); + } + } + + return opts; + }, + + // Description: + // Adds JS-recognizable media queries + // + // Arguments: + // Media (String): Key string for the media query to be stored as in + // Foundation.media_queries + // + // Class (String): Class name for the generated tag + register_media : function (media, media_class) { + if(Foundation.media_queries[media] === undefined) { + $('head').append(''); + Foundation.media_queries[media] = removeQuotes($('.' + media_class).css('font-family')); + } + }, + + // Description: + // Add custom CSS within a JS-defined media query + // + // Arguments: + // Rule (String): CSS rule to be appended to the document. + // + // Media (String): Optional media query string for the CSS rule to be + // nested under. + add_custom_rule : function (rule, media) { + if (media === undefined && Foundation.stylesheet) { + Foundation.stylesheet.insertRule(rule, Foundation.stylesheet.cssRules.length); + } else { + var query = Foundation.media_queries[media]; + + if (query !== undefined) { + Foundation.stylesheet.insertRule('@media ' + + Foundation.media_queries[media] + '{ ' + rule + ' }'); + } + } + }, + + // Description: + // Performs a callback function when an image is fully loaded + // + // Arguments: + // Image (jQuery Object): Image(s) to check if loaded. + // + // Callback (Function): Function to execute when image is fully loaded. + image_loaded : function (images, callback) { + var self = this, + unloaded = images.length; + + if (unloaded === 0) { + callback(images); + } + + images.each(function () { + single_image_loaded(self.S(this), function () { + unloaded -= 1; + if (unloaded === 0) { + callback(images); + } + }); + }); + }, + + // Description: + // Returns a random, alphanumeric string + // + // Arguments: + // Length (Integer): Length of string to be generated. Defaults to random + // integer. + // + // Returns: + // Rand (String): Pseudo-random, alphanumeric string. + random_str : function () { + if (!this.fidx) this.fidx = 0; + this.prefix = this.prefix || [(this.name || 'F'), (+new Date).toString(36)].join('-'); + + return this.prefix + (this.fidx++).toString(36); + } + } + }; + + $.fn.foundation = function () { + var args = Array.prototype.slice.call(arguments, 0); + + return this.each(function () { + Foundation.init.apply(Foundation, [this].concat(args)); + return this; + }); + }; + +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.slider = { + name : 'slider', + + version : '5.4.7', + + settings: { + start: 0, + end: 100, + step: 1, + initial: null, + display_selector: '', + vertical: false, + on_change: function(){} + }, + + cache : {}, + + init : function (scope, method, options) { + Foundation.inherit(this,'throttle'); + this.bindings(method, options); + this.reflow(); + }, + + events : function() { + var self = this; + + $(this.scope) + .off('.slider') + .on('mousedown.fndtn.slider touchstart.fndtn.slider pointerdown.fndtn.slider', + '[' + self.attr_name() + ']:not(.disabled, [disabled]) .range-slider-handle', function(e) { + if (!self.cache.active) { + e.preventDefault(); + self.set_active_slider($(e.target)); + } + }) + .on('mousemove.fndtn.slider touchmove.fndtn.slider pointermove.fndtn.slider', function(e) { + if (!!self.cache.active) { + e.preventDefault(); + if ($.data(self.cache.active[0], 'settings').vertical) { + var scroll_offset = 0; + if (!e.pageY) { + scroll_offset = window.scrollY; + } + self.calculate_position(self.cache.active, (e.pageY || + e.originalEvent.clientY || + e.originalEvent.touches[0].clientY || + e.currentPoint.y) + + scroll_offset); + } else { + self.calculate_position(self.cache.active, e.pageX || + e.originalEvent.clientX || + e.originalEvent.touches[0].clientX || + e.currentPoint.x); + } + } + }) + .on('mouseup.fndtn.slider touchend.fndtn.slider pointerup.fndtn.slider', function(e) { + self.remove_active_slider(); + }) + .on('change.fndtn.slider', function(e) { + self.settings.on_change(); + }); + + self.S(window) + .on('resize.fndtn.slider', self.throttle(function(e) { + self.reflow(); + }, 300)); + }, + + set_active_slider : function($handle) { + this.cache.active = $handle; + }, + + remove_active_slider : function() { + this.cache.active = null; + }, + + calculate_position : function($handle, cursor_x) { + var self = this, + settings = $.data($handle[0], 'settings'), + handle_l = $.data($handle[0], 'handle_l'), + handle_o = $.data($handle[0], 'handle_o'), + bar_l = $.data($handle[0], 'bar_l'), + bar_o = $.data($handle[0], 'bar_o'); + + requestAnimationFrame(function(){ + var pct; + + if (Foundation.rtl && !settings.vertical) { + pct = self.limit_to(((bar_o+bar_l-cursor_x)/bar_l),0,1); + } else { + pct = self.limit_to(((cursor_x-bar_o)/bar_l),0,1); + } + + pct = settings.vertical ? 1-pct : pct; + + var norm = self.normalized_value(pct, settings.start, settings.end, settings.step); + + self.set_ui($handle, norm); + }); + }, + + set_ui : function($handle, value) { + var settings = $.data($handle[0], 'settings'), + handle_l = $.data($handle[0], 'handle_l'), + bar_l = $.data($handle[0], 'bar_l'), + norm_pct = this.normalized_percentage(value, settings.start, settings.end), + handle_offset = norm_pct*(bar_l-handle_l)-1, + progress_bar_length = norm_pct*100; + + if (Foundation.rtl && !settings.vertical) { + handle_offset = -handle_offset; + } + + handle_offset = settings.vertical ? -handle_offset + bar_l - handle_l + 1 : handle_offset; + this.set_translate($handle, handle_offset, settings.vertical); + + if (settings.vertical) { + $handle.siblings('.range-slider-active-segment').css('height', progress_bar_length + '%'); + } else { + $handle.siblings('.range-slider-active-segment').css('width', progress_bar_length + '%'); + } + + $handle.parent().attr(this.attr_name(), value).trigger('change').trigger('change.fndtn.slider'); + + $handle.parent().children('input[type=hidden]').val(value); + + if (!$handle[0].hasAttribute('aria-valuemin')) { + $handle.attr({ + 'aria-valuemin': settings.start, + 'aria-valuemax': settings.end, + }); + } + $handle.attr('aria-valuenow', value); + + if (settings.display_selector != '') { + $(settings.display_selector).each(function(){ + if (this.hasOwnProperty('value')) { + $(this).val(value); + } else { + $(this).text(value); + } + }); + } + + }, + + normalized_percentage : function(val, start, end) { + return Math.min(1, (val - start)/(end - start)); + }, + + normalized_value : function(val, start, end, step) { + var range = end - start, + point = val*range, + mod = (point-(point%step)) / step, + rem = point % step, + round = ( rem >= step*0.5 ? step : 0); + return (mod*step + round) + start; + }, + + set_translate : function(ele, offset, vertical) { + if (vertical) { + $(ele) + .css('-webkit-transform', 'translateY('+offset+'px)') + .css('-moz-transform', 'translateY('+offset+'px)') + .css('-ms-transform', 'translateY('+offset+'px)') + .css('-o-transform', 'translateY('+offset+'px)') + .css('transform', 'translateY('+offset+'px)'); + } else { + $(ele) + .css('-webkit-transform', 'translateX('+offset+'px)') + .css('-moz-transform', 'translateX('+offset+'px)') + .css('-ms-transform', 'translateX('+offset+'px)') + .css('-o-transform', 'translateX('+offset+'px)') + .css('transform', 'translateX('+offset+'px)'); + } + }, + + limit_to : function(val, min, max) { + return Math.min(Math.max(val, min), max); + }, + + initialize_settings : function(handle) { + var settings = $.extend({}, this.settings, this.data_options($(handle).parent())); + + if (settings.vertical) { + $.data(handle, 'bar_o', $(handle).parent().offset().top); + $.data(handle, 'bar_l', $(handle).parent().outerHeight()); + $.data(handle, 'handle_o', $(handle).offset().top); + $.data(handle, 'handle_l', $(handle).outerHeight()); + } else { + $.data(handle, 'bar_o', $(handle).parent().offset().left); + $.data(handle, 'bar_l', $(handle).parent().outerWidth()); + $.data(handle, 'handle_o', $(handle).offset().left); + $.data(handle, 'handle_l', $(handle).outerWidth()); + } + + $.data(handle, 'bar', $(handle).parent()); + $.data(handle, 'settings', settings); + }, + + set_initial_position : function($ele) { + var settings = $.data($ele.children('.range-slider-handle')[0], 'settings'), + initial = (!!settings.initial ? settings.initial : Math.floor((settings.end-settings.start)*0.5/settings.step)*settings.step+settings.start), + $handle = $ele.children('.range-slider-handle'); + this.set_ui($handle, initial); + }, + + set_value : function(value) { + var self = this; + $('[' + self.attr_name() + ']', this.scope).each(function(){ + $(this).attr(self.attr_name(), value); + }); + if (!!$(this.scope).attr(self.attr_name())) { + $(this.scope).attr(self.attr_name(), value); + } + self.reflow(); + }, + + reflow : function() { + var self = this; + self.S('[' + this.attr_name() + ']').each(function() { + var handle = $(this).children('.range-slider-handle')[0], + val = $(this).attr(self.attr_name()); + self.initialize_settings(handle); + + if (val) { + self.set_ui($(handle), parseFloat(val)); + } else { + self.set_initial_position($(this)); + } + }); + } + }; + +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + var Modernizr = Modernizr || false; + + Foundation.libs.joyride = { + name : 'joyride', + + version : '5.4.7', + + defaults : { + expose : false, // turn on or off the expose feature + modal : true, // Whether to cover page with modal during the tour + keyboard : true, // enable left, right and esc keystrokes + tip_location : 'bottom', // 'top' or 'bottom' in relation to parent + nub_position : 'auto', // override on a per tooltip bases + scroll_speed : 1500, // Page scrolling speed in milliseconds, 0 = no scroll animation + scroll_animation : 'linear', // supports 'swing' and 'linear', extend with jQuery UI. + timer : 0, // 0 = no timer , all other numbers = timer in milliseconds + start_timer_on_click : true, // true or false - true requires clicking the first button start the timer + start_offset : 0, // the index of the tooltip you want to start on (index of the li) + next_button : true, // true or false to control whether a next button is used + prev_button : true, // true or false to control whether a prev button is used + tip_animation : 'fade', // 'pop' or 'fade' in each tip + pause_after : [], // array of indexes where to pause the tour after + exposed : [], // array of expose elements + tip_animation_fade_speed : 300, // when tipAnimation = 'fade' this is speed in milliseconds for the transition + cookie_monster : false, // true or false to control whether cookies are used + cookie_name : 'joyride', // Name the cookie you'll use + cookie_domain : false, // Will this cookie be attached to a domain, ie. '.notableapp.com' + cookie_expires : 365, // set when you would like the cookie to expire. + tip_container : 'body', // Where will the tip be attached + abort_on_close : true, // When true, the close event will not fire any callback + tip_location_patterns : { + top: ['bottom'], + bottom: [], // bottom should not need to be repositioned + left: ['right', 'top', 'bottom'], + right: ['left', 'top', 'bottom'] + }, + post_ride_callback : function (){}, // A method to call once the tour closes (canceled or complete) + post_step_callback : function (){}, // A method to call after each step + pre_step_callback : function (){}, // A method to call before each step + pre_ride_callback : function (){}, // A method to call before the tour starts (passed index, tip, and cloned exposed element) + post_expose_callback : function (){}, // A method to call after an element has been exposed + template : { // HTML segments for tip layout + link : '×', + timer : '
        ', + tip : '
        ', + wrapper : '
        ', + button : '', + prev_button : '', + modal : '
        ', + expose : '
        ', + expose_cover : '
        ' + }, + expose_add_class : '' // One or more space-separated class names to be added to exposed element + }, + + init : function (scope, method, options) { + Foundation.inherit(this, 'throttle random_str'); + + this.settings = this.settings || $.extend({}, this.defaults, (options || method)); + + this.bindings(method, options) + }, + + go_next : function() { + if (this.settings.$li.next().length < 1) { + this.end(); + } else if (this.settings.timer > 0) { + clearTimeout(this.settings.automate); + this.hide(); + this.show(); + this.startTimer(); + } else { + this.hide(); + this.show(); + } + }, + + go_prev : function() { + if (this.settings.$li.prev().length < 1) { + // Do nothing if there are no prev element + } else if (this.settings.timer > 0) { + clearTimeout(this.settings.automate); + this.hide(); + this.show(null, true); + this.startTimer(); + } else { + this.hide(); + this.show(null, true); + } + }, + + events : function () { + var self = this; + + $(this.scope) + .off('.joyride') + .on('click.fndtn.joyride', '.joyride-next-tip, .joyride-modal-bg', function (e) { + e.preventDefault(); + this.go_next() + }.bind(this)) + .on('click.fndtn.joyride', '.joyride-prev-tip', function (e) { + e.preventDefault(); + this.go_prev(); + }.bind(this)) + + .on('click.fndtn.joyride', '.joyride-close-tip', function (e) { + e.preventDefault(); + this.end(this.settings.abort_on_close); + }.bind(this)) + + .on("keyup.fndtn.joyride", function(e) { + // Don't do anything if keystrokes are disabled + // or if the joyride is not being shown + if (!this.settings.keyboard || !this.settings.riding) return; + + switch (e.which) { + case 39: // right arrow + e.preventDefault(); + this.go_next(); + break; + case 37: // left arrow + e.preventDefault(); + this.go_prev(); + break; + case 27: // escape + e.preventDefault(); + this.end(this.settings.abort_on_close); + } + }.bind(this)); + + $(window) + .off('.joyride') + .on('resize.fndtn.joyride', self.throttle(function () { + if ($('[' + self.attr_name() + ']').length > 0 && self.settings.$next_tip && self.settings.riding) { + if (self.settings.exposed.length > 0) { + var $els = $(self.settings.exposed); + + $els.each(function () { + var $this = $(this); + self.un_expose($this); + self.expose($this); + }); + } + + if (self.is_phone()) { + self.pos_phone(); + } else { + self.pos_default(false); + } + } + }, 100)); + }, + + start : function () { + var self = this, + $this = $('[' + this.attr_name() + ']', this.scope), + integer_settings = ['timer', 'scrollSpeed', 'startOffset', 'tipAnimationFadeSpeed', 'cookieExpires'], + int_settings_count = integer_settings.length; + + if (!$this.length > 0) return; + + if (!this.settings.init) this.events(); + + this.settings = $this.data(this.attr_name(true) + '-init'); + + // non configureable settings + this.settings.$content_el = $this; + this.settings.$body = $(this.settings.tip_container); + this.settings.body_offset = $(this.settings.tip_container).position(); + this.settings.$tip_content = this.settings.$content_el.find('> li'); + this.settings.paused = false; + this.settings.attempts = 0; + this.settings.riding = true; + + // can we create cookies? + if (typeof $.cookie !== 'function') { + this.settings.cookie_monster = false; + } + + // generate the tips and insert into dom. + if (!this.settings.cookie_monster || this.settings.cookie_monster && !$.cookie(this.settings.cookie_name)) { + this.settings.$tip_content.each(function (index) { + var $this = $(this); + this.settings = $.extend({}, self.defaults, self.data_options($this)); + + // Make sure that settings parsed from data_options are integers where necessary + var i = int_settings_count; + while (i--) { + self.settings[integer_settings[i]] = parseInt(self.settings[integer_settings[i]], 10); + } + self.create({$li : $this, index : index}); + }); + + // show first tip + if (!this.settings.start_timer_on_click && this.settings.timer > 0) { + this.show('init'); + this.startTimer(); + } else { + this.show('init'); + } + + } + }, + + resume : function () { + this.set_li(); + this.show(); + }, + + tip_template : function (opts) { + var $blank, content; + + opts.tip_class = opts.tip_class || ''; + + $blank = $(this.settings.template.tip).addClass(opts.tip_class); + content = $.trim($(opts.li).html()) + + this.prev_button_text(opts.prev_button_text, opts.index) + + this.button_text(opts.button_text) + + this.settings.template.link + + this.timer_instance(opts.index); + + $blank.append($(this.settings.template.wrapper)); + $blank.first().attr(this.add_namespace('data-index'), opts.index); + $('.joyride-content-wrapper', $blank).append(content); + + return $blank[0]; + }, + + timer_instance : function (index) { + var txt; + + if ((index === 0 && this.settings.start_timer_on_click && this.settings.timer > 0) || this.settings.timer === 0) { + txt = ''; + } else { + txt = $(this.settings.template.timer)[0].outerHTML; + } + return txt; + }, + + button_text : function (txt) { + if (this.settings.tip_settings.next_button) { + txt = $.trim(txt) || 'Next'; + txt = $(this.settings.template.button).append(txt)[0].outerHTML; + } else { + txt = ''; + } + return txt; + }, + + prev_button_text : function (txt, idx) { + if (this.settings.tip_settings.prev_button) { + txt = $.trim(txt) || 'Previous'; + + // Add the disabled class to the button if it's the first element + if (idx == 0) + txt = $(this.settings.template.prev_button).append(txt).addClass('disabled')[0].outerHTML; + else + txt = $(this.settings.template.prev_button).append(txt)[0].outerHTML; + } else { + txt = ''; + } + return txt; + }, + + create : function (opts) { + this.settings.tip_settings = $.extend({}, this.settings, this.data_options(opts.$li)); + var buttonText = opts.$li.attr(this.add_namespace('data-button')) + || opts.$li.attr(this.add_namespace('data-text')), + prevButtonText = opts.$li.attr(this.add_namespace('data-button-prev')) + || opts.$li.attr(this.add_namespace('data-prev-text')), + tipClass = opts.$li.attr('class'), + $tip_content = $(this.tip_template({ + tip_class : tipClass, + index : opts.index, + button_text : buttonText, + prev_button_text : prevButtonText, + li : opts.$li + })); + + $(this.settings.tip_container).append($tip_content); + }, + + show : function (init, is_prev) { + var $timer = null; + + // are we paused? + if (this.settings.$li === undefined + || ($.inArray(this.settings.$li.index(), this.settings.pause_after) === -1)) { + + // don't go to the next li if the tour was paused + if (this.settings.paused) { + this.settings.paused = false; + } else { + this.set_li(init, is_prev); + } + + this.settings.attempts = 0; + + if (this.settings.$li.length && this.settings.$target.length > 0) { + if (init) { //run when we first start + this.settings.pre_ride_callback(this.settings.$li.index(), this.settings.$next_tip); + if (this.settings.modal) { + this.show_modal(); + } + } + + this.settings.pre_step_callback(this.settings.$li.index(), this.settings.$next_tip); + + if (this.settings.modal && this.settings.expose) { + this.expose(); + } + + this.settings.tip_settings = $.extend({}, this.settings, this.data_options(this.settings.$li)); + + this.settings.timer = parseInt(this.settings.timer, 10); + + this.settings.tip_settings.tip_location_pattern = this.settings.tip_location_patterns[this.settings.tip_settings.tip_location]; + + // scroll if not modal + if (!/body/i.test(this.settings.$target.selector)) { + this.scroll_to(); + } + + if (this.is_phone()) { + this.pos_phone(true); + } else { + this.pos_default(true); + } + + $timer = this.settings.$next_tip.find('.joyride-timer-indicator'); + + if (/pop/i.test(this.settings.tip_animation)) { + + $timer.width(0); + + if (this.settings.timer > 0) { + + this.settings.$next_tip.show(); + + setTimeout(function () { + $timer.animate({ + width: $timer.parent().width() + }, this.settings.timer, 'linear'); + }.bind(this), this.settings.tip_animation_fade_speed); + + } else { + this.settings.$next_tip.show(); + + } + + + } else if (/fade/i.test(this.settings.tip_animation)) { + + $timer.width(0); + + if (this.settings.timer > 0) { + + this.settings.$next_tip + .fadeIn(this.settings.tip_animation_fade_speed) + .show(); + + setTimeout(function () { + $timer.animate({ + width: $timer.parent().width() + }, this.settings.timer, 'linear'); + }.bind(this), this.settings.tip_animation_fade_speed); + + } else { + this.settings.$next_tip.fadeIn(this.settings.tip_animation_fade_speed); + } + } + + this.settings.$current_tip = this.settings.$next_tip; + + // skip non-existant targets + } else if (this.settings.$li && this.settings.$target.length < 1) { + + this.show(init, is_prev); + + } else { + + this.end(); + + } + } else { + + this.settings.paused = true; + + } + + }, + + is_phone : function () { + return matchMedia(Foundation.media_queries.small).matches && + !matchMedia(Foundation.media_queries.medium).matches; + }, + + hide : function () { + if (this.settings.modal && this.settings.expose) { + this.un_expose(); + } + + if (!this.settings.modal) { + $('.joyride-modal-bg').hide(); + } + + // Prevent scroll bouncing...wait to remove from layout + this.settings.$current_tip.css('visibility', 'hidden'); + setTimeout($.proxy(function() { + this.hide(); + this.css('visibility', 'visible'); + }, this.settings.$current_tip), 0); + this.settings.post_step_callback(this.settings.$li.index(), + this.settings.$current_tip); + }, + + set_li : function (init, is_prev) { + if (init) { + this.settings.$li = this.settings.$tip_content.eq(this.settings.start_offset); + this.set_next_tip(); + this.settings.$current_tip = this.settings.$next_tip; + } else { + if (is_prev) + this.settings.$li = this.settings.$li.prev(); + else + this.settings.$li = this.settings.$li.next(); + this.set_next_tip(); + } + + this.set_target(); + }, + + set_next_tip : function () { + this.settings.$next_tip = $(".joyride-tip-guide").eq(this.settings.$li.index()); + this.settings.$next_tip.data('closed', ''); + }, + + set_target : function () { + var cl = this.settings.$li.attr(this.add_namespace('data-class')), + id = this.settings.$li.attr(this.add_namespace('data-id')), + $sel = function () { + if (id) { + return $(document.getElementById(id)); + } else if (cl) { + return $('.' + cl).first(); + } else { + return $('body'); + } + }; + + this.settings.$target = $sel(); + }, + + scroll_to : function () { + var window_half, tipOffset; + + window_half = $(window).height() / 2; + tipOffset = Math.ceil(this.settings.$target.offset().top - window_half + this.settings.$next_tip.outerHeight()); + + if (tipOffset != 0) { + $('html, body').stop().animate({ + scrollTop: tipOffset + }, this.settings.scroll_speed, 'swing'); + } + }, + + paused : function () { + return ($.inArray((this.settings.$li.index() + 1), this.settings.pause_after) === -1); + }, + + restart : function () { + this.hide(); + this.settings.$li = undefined; + this.show('init'); + }, + + pos_default : function (init) { + var $nub = this.settings.$next_tip.find('.joyride-nub'), + nub_width = Math.ceil($nub.outerWidth() / 2), + nub_height = Math.ceil($nub.outerHeight() / 2), + toggle = init || false; + + // tip must not be "display: none" to calculate position + if (toggle) { + this.settings.$next_tip.css('visibility', 'hidden'); + this.settings.$next_tip.show(); + } + + if (!/body/i.test(this.settings.$target.selector)) { + var topAdjustment = this.settings.tip_settings.tipAdjustmentY ? parseInt(this.settings.tip_settings.tipAdjustmentY) : 0, + leftAdjustment = this.settings.tip_settings.tipAdjustmentX ? parseInt(this.settings.tip_settings.tipAdjustmentX) : 0; + + if (this.bottom()) { + if (this.rtl) { + this.settings.$next_tip.css({ + top: (this.settings.$target.offset().top + nub_height + this.settings.$target.outerHeight() + topAdjustment), + left: this.settings.$target.offset().left + this.settings.$target.outerWidth() - this.settings.$next_tip.outerWidth() + leftAdjustment}); + } else { + this.settings.$next_tip.css({ + top: (this.settings.$target.offset().top + nub_height + this.settings.$target.outerHeight() + topAdjustment), + left: this.settings.$target.offset().left + leftAdjustment}); + } + + this.nub_position($nub, this.settings.tip_settings.nub_position, 'top'); + + } else if (this.top()) { + if (this.rtl) { + this.settings.$next_tip.css({ + top: (this.settings.$target.offset().top - this.settings.$next_tip.outerHeight() - nub_height + topAdjustment), + left: this.settings.$target.offset().left + this.settings.$target.outerWidth() - this.settings.$next_tip.outerWidth()}); + } else { + this.settings.$next_tip.css({ + top: (this.settings.$target.offset().top - this.settings.$next_tip.outerHeight() - nub_height + topAdjustment), + left: this.settings.$target.offset().left + leftAdjustment}); + } + + this.nub_position($nub, this.settings.tip_settings.nub_position, 'bottom'); + + } else if (this.right()) { + + this.settings.$next_tip.css({ + top: this.settings.$target.offset().top + topAdjustment, + left: (this.settings.$target.outerWidth() + this.settings.$target.offset().left + nub_width + leftAdjustment)}); + + this.nub_position($nub, this.settings.tip_settings.nub_position, 'left'); + + } else if (this.left()) { + + this.settings.$next_tip.css({ + top: this.settings.$target.offset().top + topAdjustment, + left: (this.settings.$target.offset().left - this.settings.$next_tip.outerWidth() - nub_width + leftAdjustment)}); + + this.nub_position($nub, this.settings.tip_settings.nub_position, 'right'); + + } + + if (!this.visible(this.corners(this.settings.$next_tip)) && this.settings.attempts < this.settings.tip_settings.tip_location_pattern.length) { + + $nub.removeClass('bottom') + .removeClass('top') + .removeClass('right') + .removeClass('left'); + + this.settings.tip_settings.tip_location = this.settings.tip_settings.tip_location_pattern[this.settings.attempts]; + + this.settings.attempts++; + + this.pos_default(); + + } + + } else if (this.settings.$li.length) { + + this.pos_modal($nub); + + } + + if (toggle) { + this.settings.$next_tip.hide(); + this.settings.$next_tip.css('visibility', 'visible'); + } + + }, + + pos_phone : function (init) { + var tip_height = this.settings.$next_tip.outerHeight(), + tip_offset = this.settings.$next_tip.offset(), + target_height = this.settings.$target.outerHeight(), + $nub = $('.joyride-nub', this.settings.$next_tip), + nub_height = Math.ceil($nub.outerHeight() / 2), + toggle = init || false; + + $nub.removeClass('bottom') + .removeClass('top') + .removeClass('right') + .removeClass('left'); + + if (toggle) { + this.settings.$next_tip.css('visibility', 'hidden'); + this.settings.$next_tip.show(); + } + + if (!/body/i.test(this.settings.$target.selector)) { + + if (this.top()) { + + this.settings.$next_tip.offset({top: this.settings.$target.offset().top - tip_height - nub_height}); + $nub.addClass('bottom'); + + } else { + + this.settings.$next_tip.offset({top: this.settings.$target.offset().top + target_height + nub_height}); + $nub.addClass('top'); + + } + + } else if (this.settings.$li.length) { + this.pos_modal($nub); + } + + if (toggle) { + this.settings.$next_tip.hide(); + this.settings.$next_tip.css('visibility', 'visible'); + } + }, + + pos_modal : function ($nub) { + this.center(); + $nub.hide(); + + this.show_modal(); + }, + + show_modal : function () { + if (!this.settings.$next_tip.data('closed')) { + var joyridemodalbg = $('.joyride-modal-bg'); + if (joyridemodalbg.length < 1) { + $('body').append(this.settings.template.modal).show(); + } + + if (/pop/i.test(this.settings.tip_animation)) { + joyridemodalbg.show(); + } else { + joyridemodalbg.fadeIn(this.settings.tip_animation_fade_speed); + } + } + }, + + expose : function () { + var expose, + exposeCover, + el, + origCSS, + origClasses, + randId = 'expose-' + this.random_str(6); + + if (arguments.length > 0 && arguments[0] instanceof $) { + el = arguments[0]; + } else if(this.settings.$target && !/body/i.test(this.settings.$target.selector)){ + el = this.settings.$target; + } else { + return false; + } + + if(el.length < 1){ + if(window.console){ + console.error('element not valid', el); + } + return false; + } + + expose = $(this.settings.template.expose); + this.settings.$body.append(expose); + expose.css({ + top: el.offset().top, + left: el.offset().left, + width: el.outerWidth(true), + height: el.outerHeight(true) + }); + + exposeCover = $(this.settings.template.expose_cover); + + origCSS = { + zIndex: el.css('z-index'), + position: el.css('position') + }; + + origClasses = el.attr('class') == null ? '' : el.attr('class'); + + el.css('z-index',parseInt(expose.css('z-index'))+1); + + if (origCSS.position == 'static') { + el.css('position','relative'); + } + + el.data('expose-css',origCSS); + el.data('orig-class', origClasses); + el.attr('class', origClasses + ' ' + this.settings.expose_add_class); + + exposeCover.css({ + top: el.offset().top, + left: el.offset().left, + width: el.outerWidth(true), + height: el.outerHeight(true) + }); + + if (this.settings.modal) this.show_modal(); + + this.settings.$body.append(exposeCover); + expose.addClass(randId); + exposeCover.addClass(randId); + el.data('expose', randId); + this.settings.post_expose_callback(this.settings.$li.index(), this.settings.$next_tip, el); + this.add_exposed(el); + }, + + un_expose : function () { + var exposeId, + el, + expose , + origCSS, + origClasses, + clearAll = false; + + if (arguments.length > 0 && arguments[0] instanceof $) { + el = arguments[0]; + } else if(this.settings.$target && !/body/i.test(this.settings.$target.selector)){ + el = this.settings.$target; + } else { + return false; + } + + if(el.length < 1){ + if (window.console) { + console.error('element not valid', el); + } + return false; + } + + exposeId = el.data('expose'); + expose = $('.' + exposeId); + + if (arguments.length > 1) { + clearAll = arguments[1]; + } + + if (clearAll === true) { + $('.joyride-expose-wrapper,.joyride-expose-cover').remove(); + } else { + expose.remove(); + } + + origCSS = el.data('expose-css'); + + if (origCSS.zIndex == 'auto') { + el.css('z-index', ''); + } else { + el.css('z-index', origCSS.zIndex); + } + + if (origCSS.position != el.css('position')) { + if(origCSS.position == 'static') {// this is default, no need to set it. + el.css('position', ''); + } else { + el.css('position', origCSS.position); + } + } + + origClasses = el.data('orig-class'); + el.attr('class', origClasses); + el.removeData('orig-classes'); + + el.removeData('expose'); + el.removeData('expose-z-index'); + this.remove_exposed(el); + }, + + add_exposed: function(el){ + this.settings.exposed = this.settings.exposed || []; + if (el instanceof $ || typeof el === 'object') { + this.settings.exposed.push(el[0]); + } else if (typeof el == 'string') { + this.settings.exposed.push(el); + } + }, + + remove_exposed: function(el){ + var search, i; + if (el instanceof $) { + search = el[0] + } else if (typeof el == 'string'){ + search = el; + } + + this.settings.exposed = this.settings.exposed || []; + i = this.settings.exposed.length; + + while (i--) { + if (this.settings.exposed[i] == search) { + this.settings.exposed.splice(i, 1); + return; + } + } + }, + + center : function () { + var $w = $(window); + + this.settings.$next_tip.css({ + top : ((($w.height() - this.settings.$next_tip.outerHeight()) / 2) + $w.scrollTop()), + left : ((($w.width() - this.settings.$next_tip.outerWidth()) / 2) + $w.scrollLeft()) + }); + + return true; + }, + + bottom : function () { + return /bottom/i.test(this.settings.tip_settings.tip_location); + }, + + top : function () { + return /top/i.test(this.settings.tip_settings.tip_location); + }, + + right : function () { + return /right/i.test(this.settings.tip_settings.tip_location); + }, + + left : function () { + return /left/i.test(this.settings.tip_settings.tip_location); + }, + + corners : function (el) { + var w = $(window), + window_half = w.height() / 2, + //using this to calculate since scroll may not have finished yet. + tipOffset = Math.ceil(this.settings.$target.offset().top - window_half + this.settings.$next_tip.outerHeight()), + right = w.width() + w.scrollLeft(), + offsetBottom = w.height() + tipOffset, + bottom = w.height() + w.scrollTop(), + top = w.scrollTop(); + + if (tipOffset < top) { + if (tipOffset < 0) { + top = 0; + } else { + top = tipOffset; + } + } + + if (offsetBottom > bottom) { + bottom = offsetBottom; + } + + return [ + el.offset().top < top, + right < el.offset().left + el.outerWidth(), + bottom < el.offset().top + el.outerHeight(), + w.scrollLeft() > el.offset().left + ]; + }, + + visible : function (hidden_corners) { + var i = hidden_corners.length; + + while (i--) { + if (hidden_corners[i]) return false; + } + + return true; + }, + + nub_position : function (nub, pos, def) { + if (pos === 'auto') { + nub.addClass(def); + } else { + nub.addClass(pos); + } + }, + + startTimer : function () { + if (this.settings.$li.length) { + this.settings.automate = setTimeout(function () { + this.hide(); + this.show(); + this.startTimer(); + }.bind(this), this.settings.timer); + } else { + clearTimeout(this.settings.automate); + } + }, + + end : function (abort) { + if (this.settings.cookie_monster) { + $.cookie(this.settings.cookie_name, 'ridden', { expires: this.settings.cookie_expires, domain: this.settings.cookie_domain }); + } + + if (this.settings.timer > 0) { + clearTimeout(this.settings.automate); + } + + if (this.settings.modal && this.settings.expose) { + this.un_expose(); + } + + // Unplug keystrokes listener + $(this.scope).off('keyup.joyride') + + this.settings.$next_tip.data('closed', true); + this.settings.riding = false; + + $('.joyride-modal-bg').hide(); + this.settings.$current_tip.hide(); + + if (typeof abort === 'undefined' || abort === false) { + this.settings.post_step_callback(this.settings.$li.index(), this.settings.$current_tip); + this.settings.post_ride_callback(this.settings.$li.index(), this.settings.$current_tip); + } + + $('.joyride-tip-guide').remove(); + }, + + off : function () { + $(this.scope).off('.joyride'); + $(window).off('.joyride'); + $('.joyride-close-tip, .joyride-next-tip, .joyride-modal-bg').off('.joyride'); + $('.joyride-tip-guide, .joyride-modal-bg').remove(); + clearTimeout(this.settings.automate); + this.settings = {}; + }, + + reflow : function () {} + }; +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.equalizer = { + name : 'equalizer', + + version : '5.4.7', + + settings : { + use_tallest: true, + before_height_change: $.noop, + after_height_change: $.noop, + equalize_on_stack: false + }, + + init : function (scope, method, options) { + Foundation.inherit(this, 'image_loaded'); + this.bindings(method, options); + this.reflow(); + }, + + events : function () { + this.S(window).off('.equalizer').on('resize.fndtn.equalizer', function(e){ + this.reflow(); + }.bind(this)); + }, + + equalize: function(equalizer) { + var isStacked = false, + vals = equalizer.find('[' + this.attr_name() + '-watch]:visible'), + settings = equalizer.data(this.attr_name(true)+'-init'); + + if (vals.length === 0) return; + var firstTopOffset = vals.first().offset().top; + settings.before_height_change(); + equalizer.trigger('before-height-change').trigger('before-height-change.fndth.equalizer'); + vals.height('inherit'); + vals.each(function(){ + var el = $(this); + if (el.offset().top !== firstTopOffset) { + isStacked = true; + } + }); + + if (settings.equalize_on_stack === false) { + if (isStacked) return; + }; + + var heights = vals.map(function(){ return $(this).outerHeight(false) }).get(); + + if (settings.use_tallest) { + var max = Math.max.apply(null, heights); + vals.css('height', max); + } else { + var min = Math.min.apply(null, heights); + vals.css('height', min); + } + settings.after_height_change(); + equalizer.trigger('after-height-change').trigger('after-height-change.fndtn.equalizer'); + }, + + reflow : function () { + var self = this; + + this.S('[' + this.attr_name() + ']', this.scope).each(function(){ + var $eq_target = $(this); + self.image_loaded(self.S('img', this), function(){ + self.equalize($eq_target) + }); + }); + } + }; +})(jQuery, window, window.document); + +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.dropdown = { + name : 'dropdown', + + version : '5.4.7', + + settings : { + active_class: 'open', + disabled_class: 'disabled', + mega_class: 'mega', + align: 'bottom', + is_hover: false, + opened: function(){}, + closed: function(){} + }, + + init : function (scope, method, options) { + Foundation.inherit(this, 'throttle'); + + this.bindings(method, options); + }, + + events : function (scope) { + var self = this, + S = self.S; + + S(this.scope) + .off('.dropdown') + .on('click.fndtn.dropdown', '[' + this.attr_name() + ']', function (e) { + var settings = S(this).data(self.attr_name(true) + '-init') || self.settings; + if (!settings.is_hover || Modernizr.touch) { + e.preventDefault(); + self.toggle($(this)); + } + }) + .on('mouseenter.fndtn.dropdown', '[' + this.attr_name() + '], [' + this.attr_name() + '-content]', function (e) { + var $this = S(this), + dropdown, + target; + + clearTimeout(self.timeout); + + if ($this.data(self.data_attr())) { + dropdown = S('#' + $this.data(self.data_attr())); + target = $this; + } else { + dropdown = $this; + target = S("[" + self.attr_name() + "='" + dropdown.attr('id') + "']"); + } + + var settings = target.data(self.attr_name(true) + '-init') || self.settings; + + if(S(e.target).data(self.data_attr()) && settings.is_hover) { + self.closeall.call(self); + } + + if (settings.is_hover) self.open.apply(self, [dropdown, target]); + }) + .on('mouseleave.fndtn.dropdown', '[' + this.attr_name() + '], [' + this.attr_name() + '-content]', function (e) { + var $this = S(this); + self.timeout = setTimeout(function () { + if ($this.data(self.data_attr())) { + var settings = $this.data(self.data_attr(true) + '-init') || self.settings; + if (settings.is_hover) self.close.call(self, S('#' + $this.data(self.data_attr()))); + } else { + var target = S('[' + self.attr_name() + '="' + S(this).attr('id') + '"]'), + settings = target.data(self.attr_name(true) + '-init') || self.settings; + if (settings.is_hover) self.close.call(self, $this); + } + }.bind(this), 150); + }) + .on('click.fndtn.dropdown', function (e) { + var parent = S(e.target).closest('[' + self.attr_name() + '-content]'); + + if (S(e.target).closest('[' + self.attr_name() + ']').length > 0) { + return; + } + if (!(S(e.target).data('revealId')) && + (parent.length > 0 && (S(e.target).is('[' + self.attr_name() + '-content]') || + $.contains(parent.first()[0], e.target)))) { + e.stopPropagation(); + return; + } + + self.close.call(self, S('[' + self.attr_name() + '-content]')); + }) + .on('opened.fndtn.dropdown', '[' + self.attr_name() + '-content]', function () { + self.settings.opened.call(this); + }) + .on('closed.fndtn.dropdown', '[' + self.attr_name() + '-content]', function () { + self.settings.closed.call(this); + }); + + S(window) + .off('.dropdown') + .on('resize.fndtn.dropdown', self.throttle(function () { + self.resize.call(self); + }, 50)); + + this.resize(); + }, + + close: function (dropdown) { + var self = this; + dropdown.each(function () { + var original_target = $('[' + self.attr_name() + '=' + dropdown[0].id + ']') || $('aria-controls=' + dropdown[0].id+ ']'); + original_target.attr('aria-expanded', "false"); + if (self.S(this).hasClass(self.settings.active_class)) { + self.S(this) + .css(Foundation.rtl ? 'right':'left', '-99999px') + .attr('aria-hidden', "true") + .removeClass(self.settings.active_class) + .prev('[' + self.attr_name() + ']') + .removeClass(self.settings.active_class) + .removeData('target'); + + self.S(this).trigger('closed').trigger('closed.fndtn.dropdown', [dropdown]); + } + }); + }, + + closeall: function() { + var self = this; + $.each(self.S('[' + this.attr_name() + '-content]'), function() { + self.close.call(self, self.S(this)); + }); + }, + + open: function (dropdown, target) { + this + .css(dropdown + .addClass(this.settings.active_class), target); + dropdown.prev('[' + this.attr_name() + ']').addClass(this.settings.active_class); + dropdown.data('target', target.get(0)).trigger('opened').trigger('opened.fndtn.dropdown', [dropdown, target]); + dropdown.attr('aria-hidden', 'false'); + target.attr('aria-expanded', 'true'); + dropdown.focus(); + }, + + data_attr: function () { + if (this.namespace.length > 0) { + return this.namespace + '-' + this.name; + } + + return this.name; + }, + + toggle : function (target) { + if (target.hasClass(this.settings.disabled_class)) { + return; + } + var dropdown = this.S('#' + target.data(this.data_attr())); + if (dropdown.length === 0) { + // No dropdown found, not continuing + return; + } + + this.close.call(this, this.S('[' + this.attr_name() + '-content]').not(dropdown)); + + if (dropdown.hasClass(this.settings.active_class)) { + this.close.call(this, dropdown); + if (dropdown.data('target') !== target.get(0)) + this.open.call(this, dropdown, target); + } else { + this.open.call(this, dropdown, target); + } + }, + + resize : function () { + var dropdown = this.S('[' + this.attr_name() + '-content].open'), + target = this.S("[" + this.attr_name() + "='" + dropdown.attr('id') + "']"); + + if (dropdown.length && target.length) { + this.css(dropdown, target); + } + }, + + css : function (dropdown, target) { + var left_offset = Math.max((target.width() - dropdown.width()) / 2, 8), + settings = target.data(this.attr_name(true) + '-init') || this.settings; + + this.clear_idx(); + + if (this.small()) { + var p = this.dirs.bottom.call(dropdown, target, settings); + + dropdown.attr('style', '').removeClass('drop-left drop-right drop-top').css({ + position : 'absolute', + width: '95%', + 'max-width': 'none', + top: p.top + }); + + dropdown.css(Foundation.rtl ? 'right':'left', left_offset); + } else { + + this.style(dropdown, target, settings); + } + + return dropdown; + }, + + style : function (dropdown, target, settings) { + var css = $.extend({position: 'absolute'}, + this.dirs[settings.align].call(dropdown, target, settings)); + + dropdown.attr('style', '').css(css); + }, + + // return CSS property object + // `this` is the dropdown + dirs : { + // Calculate target offset + _base : function (t) { + var o_p = this.offsetParent(), + o = o_p.offset(), + p = t.offset(); + + p.top -= o.top; + p.left -= o.left; + + return p; + }, + top: function (t, s) { + var self = Foundation.libs.dropdown, + p = self.dirs._base.call(this, t); + + this.addClass('drop-top'); + + if (t.outerWidth() < this.outerWidth() || self.small() || this.hasClass(s.mega_menu)) { + self.adjust_pip(this,t,s,p); + } + + if (Foundation.rtl) { + return {left: p.left - this.outerWidth() + t.outerWidth(), + top: p.top - this.outerHeight()}; + } + + return {left: p.left, top: p.top - this.outerHeight()}; + }, + bottom: function (t,s) { + var self = Foundation.libs.dropdown, + p = self.dirs._base.call(this, t); + + if (t.outerWidth() < this.outerWidth() || self.small() || this.hasClass(s.mega_menu)) { + self.adjust_pip(this,t,s,p); + } + + if (self.rtl) { + return {left: p.left - this.outerWidth() + t.outerWidth(), top: p.top + t.outerHeight()}; + } + + return {left: p.left, top: p.top + t.outerHeight()}; + }, + left: function (t, s) { + var p = Foundation.libs.dropdown.dirs._base.call(this, t); + + this.addClass('drop-left'); + + return {left: p.left - this.outerWidth(), top: p.top}; + }, + right: function (t, s) { + var p = Foundation.libs.dropdown.dirs._base.call(this, t); + + this.addClass('drop-right'); + + return {left: p.left + t.outerWidth(), top: p.top}; + } + }, + + // Insert rule to style psuedo elements + adjust_pip : function (dropdown,target,settings,position) { + var sheet = Foundation.stylesheet, + pip_offset_base = 8; + + if (dropdown.hasClass(settings.mega_class)) { + pip_offset_base = position.left + (target.outerWidth()/2) - 8; + } + else if (this.small()) { + pip_offset_base += position.left - 8; + } + + this.rule_idx = sheet.cssRules.length; + + var sel_before = '.f-dropdown.open:before', + sel_after = '.f-dropdown.open:after', + css_before = 'left: ' + pip_offset_base + 'px;', + css_after = 'left: ' + (pip_offset_base - 1) + 'px;'; + + if (sheet.insertRule) { + sheet.insertRule([sel_before, '{', css_before, '}'].join(' '), this.rule_idx); + sheet.insertRule([sel_after, '{', css_after, '}'].join(' '), this.rule_idx + 1); + } else { + sheet.addRule(sel_before, css_before, this.rule_idx); + sheet.addRule(sel_after, css_after, this.rule_idx + 1); + } + }, + + // Remove old dropdown rule index + clear_idx : function () { + var sheet = Foundation.stylesheet; + + if (typeof this.rule_idx !== 'undefined') { + sheet.deleteRule(this.rule_idx); + sheet.deleteRule(this.rule_idx); + delete this.rule_idx; + } + }, + + small : function () { + return matchMedia(Foundation.media_queries.small).matches && + !matchMedia(Foundation.media_queries.medium).matches; + }, + + off: function () { + this.S(this.scope).off('.fndtn.dropdown'); + this.S('html, body').off('.fndtn.dropdown'); + this.S(window).off('.fndtn.dropdown'); + this.S('[data-dropdown-content]').off('.fndtn.dropdown'); + }, + + reflow : function () {} + }; +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.clearing = { + name : 'clearing', + + version: '5.4.7', + + settings : { + templates : { + viewing : '×' + + '' + }, + + // comma delimited list of selectors that, on click, will close clearing, + // add 'div.clearing-blackout, div.visible-img' to close on background click + close_selectors : '.clearing-close, div.clearing-blackout', + + // Default to the entire li element. + open_selectors : '', + + // Image will be skipped in carousel. + skip_selector : '', + + touch_label : '', + + // event initializers and locks + init : false, + locked : false + }, + + init : function (scope, method, options) { + var self = this; + Foundation.inherit(this, 'throttle image_loaded'); + + this.bindings(method, options); + + if (self.S(this.scope).is('[' + this.attr_name() + ']')) { + this.assemble(self.S('li', this.scope)); + } else { + self.S('[' + this.attr_name() + ']', this.scope).each(function () { + self.assemble(self.S('li', this)); + }); + } + }, + + events : function (scope) { + var self = this, + S = self.S, + $scroll_container = $('.scroll-container'); + + if ($scroll_container.length > 0) { + this.scope = $scroll_container; + } + + S(this.scope) + .off('.clearing') + .on('click.fndtn.clearing', 'ul[' + this.attr_name() + '] li ' + this.settings.open_selectors, + function (e, current, target) { + var current = current || S(this), + target = target || current, + next = current.next('li'), + settings = current.closest('[' + self.attr_name() + ']').data(self.attr_name(true) + '-init'), + image = S(e.target); + + e.preventDefault(); + + if (!settings) { + self.init(); + settings = current.closest('[' + self.attr_name() + ']').data(self.attr_name(true) + '-init'); + } + + // if clearing is open and the current image is + // clicked, go to the next image in sequence + if (target.hasClass('visible') && + current[0] === target[0] && + next.length > 0 && self.is_open(current)) { + target = next; + image = S('img', target); + } + + // set current and target to the clicked li if not otherwise defined. + self.open(image, current, target); + self.update_paddles(target); + }) + + .on('click.fndtn.clearing', '.clearing-main-next', + function (e) { self.nav(e, 'next') }) + .on('click.fndtn.clearing', '.clearing-main-prev', + function (e) { self.nav(e, 'prev') }) + .on('click.fndtn.clearing', this.settings.close_selectors, + function (e) { Foundation.libs.clearing.close(e, this) }); + + $(document).on('keydown.fndtn.clearing', + function (e) { self.keydown(e) }); + + S(window).off('.clearing').on('resize.fndtn.clearing', + function () { self.resize() }); + + this.swipe_events(scope); + }, + + swipe_events : function (scope) { + var self = this, + S = self.S; + + S(this.scope) + .on('touchstart.fndtn.clearing', '.visible-img', function(e) { + if (!e.touches) { e = e.originalEvent; } + var data = { + start_page_x: e.touches[0].pageX, + start_page_y: e.touches[0].pageY, + start_time: (new Date()).getTime(), + delta_x: 0, + is_scrolling: undefined + }; + + S(this).data('swipe-transition', data); + e.stopPropagation(); + }) + .on('touchmove.fndtn.clearing', '.visible-img', function(e) { + if (!e.touches) { e = e.originalEvent; } + // Ignore pinch/zoom events + if(e.touches.length > 1 || e.scale && e.scale !== 1) return; + + var data = S(this).data('swipe-transition'); + + if (typeof data === 'undefined') { + data = {}; + } + + data.delta_x = e.touches[0].pageX - data.start_page_x; + + if (Foundation.rtl) { + data.delta_x = -data.delta_x; + } + + if (typeof data.is_scrolling === 'undefined') { + data.is_scrolling = !!( data.is_scrolling || Math.abs(data.delta_x) < Math.abs(e.touches[0].pageY - data.start_page_y) ); + } + + if (!data.is_scrolling && !data.active) { + e.preventDefault(); + var direction = (data.delta_x < 0) ? 'next' : 'prev'; + data.active = true; + self.nav(e, direction); + } + }) + .on('touchend.fndtn.clearing', '.visible-img', function(e) { + S(this).data('swipe-transition', {}); + e.stopPropagation(); + }); + }, + + assemble : function ($li) { + var $el = $li.parent(); + + if ($el.parent().hasClass('carousel')) { + return; + } + + $el.after('
        '); + + var grid = $el.detach(), + grid_outerHTML = ''; + + if (grid[0] == null) { + return; + } else { + grid_outerHTML = grid[0].outerHTML; + } + + var holder = this.S('#foundationClearingHolder'), + settings = $el.data(this.attr_name(true) + '-init'), + data = { + grid: '', + viewing: settings.templates.viewing + }, + wrapper = '
        ' + data.viewing + + data.grid + '
        ', + touch_label = this.settings.touch_label; + + if (Modernizr.touch) { + wrapper = $(wrapper).find('.clearing-touch-label').html(touch_label).end(); + } + + holder.after(wrapper).remove(); + }, + + open : function ($image, current, target) { + var self = this, + body = $(document.body), + root = target.closest('.clearing-assembled'), + container = self.S('div', root).first(), + visible_image = self.S('.visible-img', container), + image = self.S('img', visible_image).not($image), + label = self.S('.clearing-touch-label', container), + error = false; + + // Event to disable scrolling on touch devices when Clearing is activated + $('body').on('touchmove',function(e){ + e.preventDefault(); + }); + + image.error(function () { + error = true; + }); + + function startLoad() { + setTimeout(function () { + this.image_loaded(image, function () { + if (image.outerWidth() === 1 && !error) { + startLoad.call(this); + } else { + cb.call(this, image); + } + }.bind(this)); + }.bind(this), 100); + } + + function cb (image) { + var $image = $(image); + $image.css('visibility', 'visible'); + // toggle the gallery + body.css('overflow', 'hidden'); + root.addClass('clearing-blackout'); + container.addClass('clearing-container'); + visible_image.show(); + this.fix_height(target) + .caption(self.S('.clearing-caption', visible_image), self.S('img', target)) + .center_and_label(image, label) + .shift(current, target, function () { + target.closest('li').siblings().removeClass('visible'); + target.closest('li').addClass('visible'); + }); + visible_image.trigger('opened.fndtn.clearing') + } + + if (!this.locked()) { + visible_image.trigger('open.fndtn.clearing'); + // set the image to the selected thumbnail + image + .attr('src', this.load($image)) + .css('visibility', 'hidden'); + + startLoad.call(this); + } + }, + + close : function (e, el) { + e.preventDefault(); + + var root = (function (target) { + if (/blackout/.test(target.selector)) { + return target; + } else { + return target.closest('.clearing-blackout'); + } + }($(el))), + body = $(document.body), container, visible_image; + + if (el === e.target && root) { + body.css('overflow', ''); + container = $('div', root).first(); + visible_image = $('.visible-img', container); + visible_image.trigger('close.fndtn.clearing'); + this.settings.prev_index = 0; + $('ul[' + this.attr_name() + ']', root) + .attr('style', '').closest('.clearing-blackout') + .removeClass('clearing-blackout'); + container.removeClass('clearing-container'); + visible_image.hide(); + visible_image.trigger('closed.fndtn.clearing'); + } + + // Event to re-enable scrolling on touch devices + $('body').off('touchmove'); + + return false; + }, + + is_open : function (current) { + return current.parent().prop('style').length > 0; + }, + + keydown : function (e) { + var clearing = $('.clearing-blackout ul[' + this.attr_name() + ']'), + NEXT_KEY = this.rtl ? 37 : 39, + PREV_KEY = this.rtl ? 39 : 37, + ESC_KEY = 27; + + if (e.which === NEXT_KEY) this.go(clearing, 'next'); + if (e.which === PREV_KEY) this.go(clearing, 'prev'); + if (e.which === ESC_KEY) this.S('a.clearing-close').trigger('click').trigger('click.fndtn.clearing'); + }, + + nav : function (e, direction) { + var clearing = $('ul[' + this.attr_name() + ']', '.clearing-blackout'); + + e.preventDefault(); + this.go(clearing, direction); + }, + + resize : function () { + var image = $('img', '.clearing-blackout .visible-img'), + label = $('.clearing-touch-label', '.clearing-blackout'); + + if (image.length) { + this.center_and_label(image, label); + image.trigger('resized.fndtn.clearing') + } + }, + + // visual adjustments + fix_height : function (target) { + var lis = target.parent().children(), + self = this; + + lis.each(function () { + var li = self.S(this), + image = li.find('img'); + + if (li.height() > image.outerHeight()) { + li.addClass('fix-height'); + } + }) + .closest('ul') + .width(lis.length * 100 + '%'); + + return this; + }, + + update_paddles : function (target) { + target = target.closest('li'); + var visible_image = target + .closest('.carousel') + .siblings('.visible-img'); + + if (target.next().length > 0) { + this.S('.clearing-main-next', visible_image).removeClass('disabled'); + } else { + this.S('.clearing-main-next', visible_image).addClass('disabled'); + } + + if (target.prev().length > 0) { + this.S('.clearing-main-prev', visible_image).removeClass('disabled'); + } else { + this.S('.clearing-main-prev', visible_image).addClass('disabled'); + } + }, + + center_and_label : function (target, label) { + if (!this.rtl) { + target.css({ + marginLeft : -(target.outerWidth() / 2), + marginTop : -(target.outerHeight() / 2) + }); + + if (label.length > 0) { + label.css({ + marginLeft : -(label.outerWidth() / 2), + marginTop : -(target.outerHeight() / 2)-label.outerHeight()-10 + }); + } + } else { + target.css({ + marginRight : -(target.outerWidth() / 2), + marginTop : -(target.outerHeight() / 2), + left: 'auto', + right: '50%' + }); + + if (label.length > 0) { + label.css({ + marginRight : -(label.outerWidth() / 2), + marginTop : -(target.outerHeight() / 2)-label.outerHeight()-10, + left: 'auto', + right: '50%' + }); + } + } + return this; + }, + + // image loading and preloading + + load : function ($image) { + var href; + + if ($image[0].nodeName === "A") { + href = $image.attr('href'); + } else { + href = $image.parent().attr('href'); + } + + this.preload($image); + + if (href) return href; + return $image.attr('src'); + }, + + preload : function ($image) { + this + .img($image.closest('li').next()) + .img($image.closest('li').prev()); + }, + + img : function (img) { + if (img.length) { + var new_img = new Image(), + new_a = this.S('a', img); + + if (new_a.length) { + new_img.src = new_a.attr('href'); + } else { + new_img.src = this.S('img', img).attr('src'); + } + } + return this; + }, + + // image caption + + caption : function (container, $image) { + var caption = $image.attr('data-caption'); + + if (caption) { + container + .html(caption) + .show(); + } else { + container + .text('') + .hide(); + } + return this; + }, + + // directional methods + + go : function ($ul, direction) { + var current = this.S('.visible', $ul), + target = current[direction](); + + // Check for skip selector. + if (this.settings.skip_selector && target.find(this.settings.skip_selector).length != 0) { + target = target[direction](); + } + + if (target.length) { + this.S('img', target) + .trigger('click', [current, target]).trigger('click.fndtn.clearing', [current, target]) + .trigger('change.fndtn.clearing'); + } + }, + + shift : function (current, target, callback) { + var clearing = target.parent(), + old_index = this.settings.prev_index || target.index(), + direction = this.direction(clearing, current, target), + dir = this.rtl ? 'right' : 'left', + left = parseInt(clearing.css('left'), 10), + width = target.outerWidth(), + skip_shift; + + var dir_obj = {}; + + // we use jQuery animate instead of CSS transitions because we + // need a callback to unlock the next animation + // needs support for RTL ** + if (target.index() !== old_index && !/skip/.test(direction)){ + if (/left/.test(direction)) { + this.lock(); + dir_obj[dir] = left + width; + clearing.animate(dir_obj, 300, this.unlock()); + } else if (/right/.test(direction)) { + this.lock(); + dir_obj[dir] = left - width; + clearing.animate(dir_obj, 300, this.unlock()); + } + } else if (/skip/.test(direction)) { + // the target image is not adjacent to the current image, so + // do we scroll right or not + skip_shift = target.index() - this.settings.up_count; + this.lock(); + + if (skip_shift > 0) { + dir_obj[dir] = -(skip_shift * width); + clearing.animate(dir_obj, 300, this.unlock()); + } else { + dir_obj[dir] = 0; + clearing.animate(dir_obj, 300, this.unlock()); + } + } + + callback(); + }, + + direction : function ($el, current, target) { + var lis = this.S('li', $el), + li_width = lis.outerWidth() + (lis.outerWidth() / 4), + up_count = Math.floor(this.S('.clearing-container').outerWidth() / li_width) - 1, + target_index = lis.index(target), + response; + + this.settings.up_count = up_count; + + if (this.adjacent(this.settings.prev_index, target_index)) { + if ((target_index > up_count) && target_index > this.settings.prev_index) { + response = 'right'; + } else if ((target_index > up_count - 1) && target_index <= this.settings.prev_index) { + response = 'left'; + } else { + response = false; + } + } else { + response = 'skip'; + } + + this.settings.prev_index = target_index; + + return response; + }, + + adjacent : function (current_index, target_index) { + for (var i = target_index + 1; i >= target_index - 1; i--) { + if (i === current_index) return true; + } + return false; + }, + + // lock management + + lock : function () { + this.settings.locked = true; + }, + + unlock : function () { + this.settings.locked = false; + }, + + locked : function () { + return this.settings.locked; + }, + + off : function () { + this.S(this.scope).off('.fndtn.clearing'); + this.S(window).off('.fndtn.clearing'); + }, + + reflow : function () { + this.init(); + } + }; + +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + var noop = function() {}; + + var Orbit = function(el, settings) { + // Don't reinitialize plugin + if (el.hasClass(settings.slides_container_class)) { + return this; + } + + var self = this, + container, + slides_container = el, + number_container, + bullets_container, + timer_container, + idx = 0, + animate, + timer, + locked = false, + adjust_height_after = false; + + + self.slides = function() { + return slides_container.children(settings.slide_selector); + }; + + self.slides().first().addClass(settings.active_slide_class); + + self.update_slide_number = function(index) { + if (settings.slide_number) { + number_container.find('span:first').text(parseInt(index)+1); + number_container.find('span:last').text(self.slides().length); + } + if (settings.bullets) { + bullets_container.children().removeClass(settings.bullets_active_class); + $(bullets_container.children().get(index)).addClass(settings.bullets_active_class); + } + }; + + self.update_active_link = function(index) { + var link = $('[data-orbit-link="'+self.slides().eq(index).attr('data-orbit-slide')+'"]'); + link.siblings().removeClass(settings.bullets_active_class); + link.addClass(settings.bullets_active_class); + }; + + self.build_markup = function() { + slides_container.wrap('
        '); + container = slides_container.parent(); + slides_container.addClass(settings.slides_container_class); + + if (settings.stack_on_small) { + container.addClass(settings.stack_on_small_class); + } + + if (settings.navigation_arrows) { + container.append($('').addClass(settings.prev_class)); + container.append($('').addClass(settings.next_class)); + } + + if (settings.timer) { + timer_container = $('
        ').addClass(settings.timer_container_class); + timer_container.append(''); + timer_container.append($('
        ').addClass(settings.timer_progress_class)); + timer_container.addClass(settings.timer_paused_class); + container.append(timer_container); + } + + if (settings.slide_number) { + number_container = $('
        ').addClass(settings.slide_number_class); + number_container.append(' ' + settings.slide_number_text + ' '); + container.append(number_container); + } + + if (settings.bullets) { + bullets_container = $('
          ').addClass(settings.bullets_container_class); + container.append(bullets_container); + bullets_container.wrap('
          '); + self.slides().each(function(idx, el) { + var bullet = $('
        1. ').attr('data-orbit-slide', idx).on('click', self.link_bullet);; + bullets_container.append(bullet); + }); + } + + }; + + self._goto = function(next_idx, start_timer) { + // if (locked) {return false;} + if (next_idx === idx) {return false;} + if (typeof timer === 'object') {timer.restart();} + var slides = self.slides(); + + var dir = 'next'; + locked = true; + if (next_idx < idx) {dir = 'prev';} + if (next_idx >= slides.length) { + if (!settings.circular) return false; + next_idx = 0; + } else if (next_idx < 0) { + if (!settings.circular) return false; + next_idx = slides.length - 1; + } + + var current = $(slides.get(idx)); + var next = $(slides.get(next_idx)); + + current.css('zIndex', 2); + current.removeClass(settings.active_slide_class); + next.css('zIndex', 4).addClass(settings.active_slide_class); + + slides_container.trigger('before-slide-change.fndtn.orbit'); + settings.before_slide_change(); + self.update_active_link(next_idx); + + var callback = function() { + var unlock = function() { + idx = next_idx; + locked = false; + if (start_timer === true) {timer = self.create_timer(); timer.start();} + self.update_slide_number(idx); + slides_container.trigger('after-slide-change.fndtn.orbit',[{slide_number: idx, total_slides: slides.length}]); + settings.after_slide_change(idx, slides.length); + }; + if (slides_container.height() != next.height() && settings.variable_height) { + slides_container.animate({'height': next.height()}, 250, 'linear', unlock); + } else { + unlock(); + } + }; + + if (slides.length === 1) {callback(); return false;} + + var start_animation = function() { + if (dir === 'next') {animate.next(current, next, callback);} + if (dir === 'prev') {animate.prev(current, next, callback);} + }; + + if (next.height() > slides_container.height() && settings.variable_height) { + slides_container.animate({'height': next.height()}, 250, 'linear', start_animation); + } else { + start_animation(); + } + }; + + self.next = function(e) { + e.stopImmediatePropagation(); + e.preventDefault(); + self._goto(idx + 1); + }; + + self.prev = function(e) { + e.stopImmediatePropagation(); + e.preventDefault(); + self._goto(idx - 1); + }; + + self.link_custom = function(e) { + e.preventDefault(); + var link = $(this).attr('data-orbit-link'); + if ((typeof link === 'string') && (link = $.trim(link)) != "") { + var slide = container.find('[data-orbit-slide='+link+']'); + if (slide.index() != -1) {self._goto(slide.index());} + } + }; + + self.link_bullet = function(e) { + var index = $(this).attr('data-orbit-slide'); + if ((typeof index === 'string') && (index = $.trim(index)) != "") { + if(isNaN(parseInt(index))) + { + var slide = container.find('[data-orbit-slide='+index+']'); + if (slide.index() != -1) {self._goto(slide.index() + 1);} + } + else + { + self._goto(parseInt(index)); + } + } + + } + + self.timer_callback = function() { + self._goto(idx + 1, true); + } + + self.compute_dimensions = function() { + var current = $(self.slides().get(idx)); + var h = current.height(); + if (!settings.variable_height) { + self.slides().each(function(){ + if ($(this).height() > h) { h = $(this).height(); } + }); + } + slides_container.height(h); + }; + + self.create_timer = function() { + var t = new Timer( + container.find('.'+settings.timer_container_class), + settings, + self.timer_callback + ); + return t; + }; + + self.stop_timer = function() { + if (typeof timer === 'object') timer.stop(); + }; + + self.toggle_timer = function() { + var t = container.find('.'+settings.timer_container_class); + if (t.hasClass(settings.timer_paused_class)) { + if (typeof timer === 'undefined') {timer = self.create_timer();} + timer.start(); + } + else { + if (typeof timer === 'object') {timer.stop();} + } + }; + + self.init = function() { + self.build_markup(); + if (settings.timer) { + timer = self.create_timer(); + Foundation.utils.image_loaded(this.slides().children('img'), timer.start); + } + animate = new FadeAnimation(settings, slides_container); + if (settings.animation === 'slide') + animate = new SlideAnimation(settings, slides_container); + + container.on('click', '.'+settings.next_class, self.next); + container.on('click', '.'+settings.prev_class, self.prev); + + if (settings.next_on_click) { + container.on('click', '.'+settings.slides_container_class+' [data-orbit-slide]', self.link_bullet); + } + + container.on('click', self.toggle_timer); + if (settings.swipe) { + container.on('touchstart.fndtn.orbit', function(e) { + if (!e.touches) {e = e.originalEvent;} + var data = { + start_page_x: e.touches[0].pageX, + start_page_y: e.touches[0].pageY, + start_time: (new Date()).getTime(), + delta_x: 0, + is_scrolling: undefined + }; + container.data('swipe-transition', data); + e.stopPropagation(); + }) + .on('touchmove.fndtn.orbit', function(e) { + if (!e.touches) { e = e.originalEvent; } + // Ignore pinch/zoom events + if(e.touches.length > 1 || e.scale && e.scale !== 1) return; + + var data = container.data('swipe-transition'); + if (typeof data === 'undefined') {data = {};} + + data.delta_x = e.touches[0].pageX - data.start_page_x; + + if ( typeof data.is_scrolling === 'undefined') { + data.is_scrolling = !!( data.is_scrolling || Math.abs(data.delta_x) < Math.abs(e.touches[0].pageY - data.start_page_y) ); + } + + if (!data.is_scrolling && !data.active) { + e.preventDefault(); + var direction = (data.delta_x < 0) ? (idx+1) : (idx-1); + data.active = true; + self._goto(direction); + } + }) + .on('touchend.fndtn.orbit', function(e) { + container.data('swipe-transition', {}); + e.stopPropagation(); + }) + } + container.on('mouseenter.fndtn.orbit', function(e) { + if (settings.timer && settings.pause_on_hover) { + self.stop_timer(); + } + }) + .on('mouseleave.fndtn.orbit', function(e) { + if (settings.timer && settings.resume_on_mouseout) { + timer.start(); + } + }); + + $(document).on('click', '[data-orbit-link]', self.link_custom); + $(window).on('load resize', self.compute_dimensions); + Foundation.utils.image_loaded(this.slides().children('img'), self.compute_dimensions); + Foundation.utils.image_loaded(this.slides().children('img'), function() { + container.prev('.'+settings.preloader_class).css('display', 'none'); + self.update_slide_number(0); + self.update_active_link(0); + slides_container.trigger('ready.fndtn.orbit'); + }); + }; + + self.init(); + }; + + var Timer = function(el, settings, callback) { + var self = this, + duration = settings.timer_speed, + progress = el.find('.'+settings.timer_progress_class), + start, + timeout, + left = -1; + + this.update_progress = function(w) { + var new_progress = progress.clone(); + new_progress.attr('style', ''); + new_progress.css('width', w+'%'); + progress.replaceWith(new_progress); + progress = new_progress; + }; + + this.restart = function() { + clearTimeout(timeout); + el.addClass(settings.timer_paused_class); + left = -1; + self.update_progress(0); + }; + + this.start = function() { + if (!el.hasClass(settings.timer_paused_class)) {return true;} + left = (left === -1) ? duration : left; + el.removeClass(settings.timer_paused_class); + start = new Date().getTime(); + progress.animate({'width': '100%'}, left, 'linear'); + timeout = setTimeout(function() { + self.restart(); + callback(); + }, left); + el.trigger('timer-started.fndtn.orbit') + }; + + this.stop = function() { + if (el.hasClass(settings.timer_paused_class)) {return true;} + clearTimeout(timeout); + el.addClass(settings.timer_paused_class); + var end = new Date().getTime(); + left = left - (end - start); + var w = 100 - ((left / duration) * 100); + self.update_progress(w); + el.trigger('timer-stopped.fndtn.orbit'); + }; + }; + + var SlideAnimation = function(settings, container) { + var duration = settings.animation_speed; + var is_rtl = ($('html[dir=rtl]').length === 1); + var margin = is_rtl ? 'marginRight' : 'marginLeft'; + var animMargin = {}; + animMargin[margin] = '0%'; + + this.next = function(current, next, callback) { + current.animate({marginLeft:'-100%'}, duration); + next.animate(animMargin, duration, function() { + current.css(margin, '100%'); + callback(); + }); + }; + + this.prev = function(current, prev, callback) { + current.animate({marginLeft:'100%'}, duration); + prev.css(margin, '-100%'); + prev.animate(animMargin, duration, function() { + current.css(margin, '100%'); + callback(); + }); + }; + }; + + var FadeAnimation = function(settings, container) { + var duration = settings.animation_speed; + var is_rtl = ($('html[dir=rtl]').length === 1); + var margin = is_rtl ? 'marginRight' : 'marginLeft'; + + this.next = function(current, next, callback) { + next.css({'margin':'0%', 'opacity':'0.01'}); + next.animate({'opacity':'1'}, duration, 'linear', function() { + current.css('margin', '100%'); + callback(); + }); + }; + + this.prev = function(current, prev, callback) { + prev.css({'margin':'0%', 'opacity':'0.01'}); + prev.animate({'opacity':'1'}, duration, 'linear', function() { + current.css('margin', '100%'); + callback(); + }); + }; + }; + + + Foundation.libs = Foundation.libs || {}; + + Foundation.libs.orbit = { + name: 'orbit', + + version: '5.4.7', + + settings: { + animation: 'slide', + timer_speed: 10000, + pause_on_hover: true, + resume_on_mouseout: false, + next_on_click: true, + animation_speed: 500, + stack_on_small: false, + navigation_arrows: true, + slide_number: true, + slide_number_text: 'of', + container_class: 'orbit-container', + stack_on_small_class: 'orbit-stack-on-small', + next_class: 'orbit-next', + prev_class: 'orbit-prev', + timer_container_class: 'orbit-timer', + timer_paused_class: 'paused', + timer_progress_class: 'orbit-progress', + slides_container_class: 'orbit-slides-container', + preloader_class: 'preloader', + slide_selector: '*', + bullets_container_class: 'orbit-bullets', + bullets_active_class: 'active', + slide_number_class: 'orbit-slide-number', + caption_class: 'orbit-caption', + active_slide_class: 'active', + orbit_transition_class: 'orbit-transitioning', + bullets: true, + circular: true, + timer: true, + variable_height: false, + swipe: true, + before_slide_change: noop, + after_slide_change: noop + }, + + init : function (scope, method, options) { + var self = this; + this.bindings(method, options); + }, + + events : function (instance) { + var orbit_instance = new Orbit(this.S(instance), this.S(instance).data('orbit-init')); + this.S(instance).data(this.name + '-instance', orbit_instance); + }, + + reflow : function () { + var self = this; + + if (self.S(self.scope).is('[data-orbit]')) { + var $el = self.S(self.scope); + var instance = $el.data(self.name + '-instance'); + instance.compute_dimensions(); + } else { + self.S('[data-orbit]', self.scope).each(function(idx, el) { + var $el = self.S(el); + var opts = self.data_options($el); + var instance = $el.data(self.name + '-instance'); + instance.compute_dimensions(); + }); + } + } + }; + + +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.offcanvas = { + name : 'offcanvas', + + version : '5.4.7', + + settings : { + open_method: 'move', + close_on_click: false + }, + + init : function (scope, method, options) { + this.bindings(method, options); + }, + + events : function () { + var self = this, + S = self.S, + move_class = '', + right_postfix = '', + left_postfix = ''; + + if (this.settings.open_method === 'move') { + move_class = 'move-'; + right_postfix = 'right'; + left_postfix = 'left'; + } else if (this.settings.open_method === 'overlap_single') { + move_class = 'offcanvas-overlap-'; + right_postfix = 'right'; + left_postfix = 'left'; + } else if (this.settings.open_method === 'overlap') { + move_class = 'offcanvas-overlap'; + } + + S(this.scope).off('.offcanvas') + .on('click.fndtn.offcanvas', '.left-off-canvas-toggle', function (e) { + self.click_toggle_class(e, move_class + right_postfix); + if (self.settings.open_method !== 'overlap'){ + S(".left-submenu").removeClass(move_class + right_postfix); + } + $('.left-off-canvas-toggle').attr('aria-expanded', 'true'); + }) + .on('click.fndtn.offcanvas', '.left-off-canvas-menu a', function (e) { + var settings = self.get_settings(e); + var parent = S(this).parent(); + + if(settings.close_on_click && !parent.hasClass("has-submenu") && !parent.hasClass("back")){ + self.hide.call(self, move_class + right_postfix, self.get_wrapper(e)); + parent.parent().removeClass(move_class + right_postfix); + }else if(S(this).parent().hasClass("has-submenu")){ + e.preventDefault(); + S(this).siblings(".left-submenu").toggleClass(move_class + right_postfix); + }else if(parent.hasClass("back")){ + e.preventDefault(); + parent.parent().removeClass(move_class + right_postfix); + } + $('.left-off-canvas-toggle').attr('aria-expanded', 'true'); + }) + .on('click.fndtn.offcanvas', '.right-off-canvas-toggle', function (e) { + self.click_toggle_class(e, move_class + left_postfix); + if (self.settings.open_method !== 'overlap'){ + S(".right-submenu").removeClass(move_class + left_postfix); + } + $('.right-off-canvas-toggle').attr('aria-expanded', 'true'); + }) + .on('click.fndtn.offcanvas', '.right-off-canvas-menu a', function (e) { + var settings = self.get_settings(e); + var parent = S(this).parent(); + + if(settings.close_on_click && !parent.hasClass("has-submenu") && !parent.hasClass("back")){ + self.hide.call(self, move_class + left_postfix, self.get_wrapper(e)); + parent.parent().removeClass(move_class + left_postfix); + }else if(S(this).parent().hasClass("has-submenu")){ + e.preventDefault(); + S(this).siblings(".right-submenu").toggleClass(move_class + left_postfix); + }else if(parent.hasClass("back")){ + e.preventDefault(); + parent.parent().removeClass(move_class + left_postfix); + } + $('.right-off-canvas-toggle').attr('aria-expanded', 'true'); + }) + .on('click.fndtn.offcanvas', '.exit-off-canvas', function (e) { + self.click_remove_class(e, move_class + left_postfix); + S(".right-submenu").removeClass(move_class + left_postfix); + if (right_postfix){ + self.click_remove_class(e, move_class + right_postfix); + S(".left-submenu").removeClass(move_class + left_postfix); + } + $('.right-off-canvas-toggle').attr('aria-expanded', 'true'); + }) + .on('click.fndtn.offcanvas', '.exit-off-canvas', function (e) { + self.click_remove_class(e, move_class + left_postfix); + $('.left-off-canvas-toggle').attr('aria-expanded', 'false'); + if (right_postfix) { + self.click_remove_class(e, move_class + right_postfix); + $('.right-off-canvas-toggle').attr('aria-expanded', "false"); + } + }); + }, + + toggle: function(class_name, $off_canvas) { + $off_canvas = $off_canvas || this.get_wrapper(); + if ($off_canvas.is('.' + class_name)) { + this.hide(class_name, $off_canvas); + } else { + this.show(class_name, $off_canvas); + } + }, + + show: function(class_name, $off_canvas) { + $off_canvas = $off_canvas || this.get_wrapper(); + $off_canvas.trigger('open').trigger('open.fndtn.offcanvas'); + $off_canvas.addClass(class_name); + }, + + hide: function(class_name, $off_canvas) { + $off_canvas = $off_canvas || this.get_wrapper(); + $off_canvas.trigger('close').trigger('close.fndtn.offcanvas'); + $off_canvas.removeClass(class_name); + }, + + click_toggle_class: function(e, class_name) { + e.preventDefault(); + var $off_canvas = this.get_wrapper(e); + this.toggle(class_name, $off_canvas); + }, + + click_remove_class: function(e, class_name) { + e.preventDefault(); + var $off_canvas = this.get_wrapper(e); + this.hide(class_name, $off_canvas); + }, + + get_settings: function(e) { + var offcanvas = this.S(e.target).closest('[' + this.attr_name() + ']'); + return offcanvas.data(this.attr_name(true) + '-init') || this.settings; + }, + + get_wrapper: function(e) { + var $off_canvas = this.S(e ? e.target : this.scope).closest('.off-canvas-wrap'); + + if ($off_canvas.length === 0) { + $off_canvas = this.S('.off-canvas-wrap'); + } + return $off_canvas; + }, + + reflow : function () {} + }; +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.alert = { + name : 'alert', + + version : '5.4.7', + + settings : { + callback: function (){} + }, + + init : function (scope, method, options) { + this.bindings(method, options); + }, + + events : function () { + var self = this, + S = this.S; + + $(this.scope).off('.alert').on('click.fndtn.alert', '[' + this.attr_name() + '] .close', function (e) { + var alertBox = S(this).closest('[' + self.attr_name() + ']'), + settings = alertBox.data(self.attr_name(true) + '-init') || self.settings; + + e.preventDefault(); + if (Modernizr.csstransitions) { + alertBox.addClass("alert-close"); + alertBox.on('transitionend webkitTransitionEnd oTransitionEnd', function(e) { + S(this).trigger('close').trigger('close.fndtn.alert').remove(); + settings.callback(); + }); + } else { + alertBox.fadeOut(300, function () { + S(this).trigger('close').trigger('close.fndtn.alert').remove(); + settings.callback(); + }); + } + }); + }, + + reflow : function () {} + }; +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.reveal = { + name : 'reveal', + + version : '5.4.7', + + locked : false, + + settings : { + animation: 'fadeAndPop', + animation_speed: 250, + close_on_background_click: true, + close_on_esc: true, + dismiss_modal_class: 'close-reveal-modal', + bg_class: 'reveal-modal-bg', + root_element: 'body', + open: function(){}, + opened: function(){}, + close: function(){}, + closed: function(){}, + bg : $('.reveal-modal-bg'), + css : { + open : { + 'opacity': 0, + 'visibility': 'visible', + 'display' : 'block' + }, + close : { + 'opacity': 1, + 'visibility': 'hidden', + 'display': 'none' + } + } + }, + + init : function (scope, method, options) { + $.extend(true, this.settings, method, options); + this.bindings(method, options); + }, + + events : function (scope) { + var self = this, + S = self.S; + + S(this.scope) + .off('.reveal') + .on('click.fndtn.reveal', '[' + this.add_namespace('data-reveal-id') + ']:not([disabled])', function (e) { + e.preventDefault(); + + if (!self.locked) { + var element = S(this), + ajax = element.data(self.data_attr('reveal-ajax')); + + self.locked = true; + + if (typeof ajax === 'undefined') { + self.open.call(self, element); + } else { + var url = ajax === true ? element.attr('href') : ajax; + + self.open.call(self, element, {url: url}); + } + } + }); + + S(document) + .on('click.fndtn.reveal', this.close_targets(), function (e) { + + e.preventDefault(); + + if (!self.locked) { + var settings = S('[' + self.attr_name() + '].open').data(self.attr_name(true) + '-init') || self.settings, + bg_clicked = S(e.target)[0] === S('.' + settings.bg_class)[0]; + + if (bg_clicked) { + if (settings.close_on_background_click) { + e.stopPropagation(); + } else { + return; + } + } + + self.locked = true; + self.close.call(self, bg_clicked ? S('[' + self.attr_name() + '].open') : S(this).closest('[' + self.attr_name() + ']')); + } + }); + + if(S('[' + self.attr_name() + ']', this.scope).length > 0) { + S(this.scope) + // .off('.reveal') + .on('open.fndtn.reveal', this.settings.open) + .on('opened.fndtn.reveal', this.settings.opened) + .on('opened.fndtn.reveal', this.open_video) + .on('close.fndtn.reveal', this.settings.close) + .on('closed.fndtn.reveal', this.settings.closed) + .on('closed.fndtn.reveal', this.close_video); + } else { + S(this.scope) + // .off('.reveal') + .on('open.fndtn.reveal', '[' + self.attr_name() + ']', this.settings.open) + .on('opened.fndtn.reveal', '[' + self.attr_name() + ']', this.settings.opened) + .on('opened.fndtn.reveal', '[' + self.attr_name() + ']', this.open_video) + .on('close.fndtn.reveal', '[' + self.attr_name() + ']', this.settings.close) + .on('closed.fndtn.reveal', '[' + self.attr_name() + ']', this.settings.closed) + .on('closed.fndtn.reveal', '[' + self.attr_name() + ']', this.close_video); + } + + return true; + }, + + // PATCH #3: turning on key up capture only when a reveal window is open + key_up_on : function (scope) { + var self = this; + + // PATCH #1: fixing multiple keyup event trigger from single key press + self.S('body').off('keyup.fndtn.reveal').on('keyup.fndtn.reveal', function ( event ) { + var open_modal = self.S('[' + self.attr_name() + '].open'), + settings = open_modal.data(self.attr_name(true) + '-init') || self.settings ; + // PATCH #2: making sure that the close event can be called only while unlocked, + // so that multiple keyup.fndtn.reveal events don't prevent clean closing of the reveal window. + if ( settings && event.which === 27 && settings.close_on_esc && !self.locked) { // 27 is the keycode for the Escape key + self.close.call(self, open_modal); + } + }); + + return true; + }, + + // PATCH #3: turning on key up capture only when a reveal window is open + key_up_off : function (scope) { + this.S('body').off('keyup.fndtn.reveal'); + return true; + }, + + + open : function (target, ajax_settings) { + var self = this, + modal; + + if (target) { + if (typeof target.selector !== 'undefined') { + // Find the named node; only use the first one found, since the rest of the code assumes there's only one node + modal = self.S('#' + target.data(self.data_attr('reveal-id'))).first(); + } else { + modal = self.S(this.scope); + + ajax_settings = target; + } + } else { + modal = self.S(this.scope); + } + + var settings = modal.data(self.attr_name(true) + '-init'); + settings = settings || this.settings; + + + if (modal.hasClass('open') && target.attr('data-reveal-id') == modal.attr('id')) { + return self.close(modal); + } + + if (!modal.hasClass('open')) { + var open_modal = self.S('[' + self.attr_name() + '].open'); + + if (typeof modal.data('css-top') === 'undefined') { + modal.data('css-top', parseInt(modal.css('top'), 10)) + .data('offset', this.cache_offset(modal)); + } + + this.key_up_on(modal); // PATCH #3: turning on key up capture only when a reveal window is open + modal.trigger('open').trigger('open.fndtn.reveal'); + + if (open_modal.length < 1) { + this.toggle_bg(modal, true); + } + + if (typeof ajax_settings === 'string') { + ajax_settings = { + url: ajax_settings + }; + } + + if (typeof ajax_settings === 'undefined' || !ajax_settings.url) { + if (open_modal.length > 0) { + this.hide(open_modal, settings.css.close); + } + + this.show(modal, settings.css.open); + } else { + var old_success = typeof ajax_settings.success !== 'undefined' ? ajax_settings.success : null; + + $.extend(ajax_settings, { + success: function (data, textStatus, jqXHR) { + if ( $.isFunction(old_success) ) { + old_success(data, textStatus, jqXHR); + } + + modal.html(data); + self.S(modal).foundation('section', 'reflow'); + self.S(modal).children().foundation(); + + if (open_modal.length > 0) { + self.hide(open_modal, settings.css.close); + } + self.show(modal, settings.css.open); + } + }); + + $.ajax(ajax_settings); + } + } + self.S(window).trigger('resize'); + }, + + close : function (modal) { + var modal = modal && modal.length ? modal : this.S(this.scope), + open_modals = this.S('[' + this.attr_name() + '].open'), + settings = modal.data(this.attr_name(true) + '-init') || this.settings; + + if (open_modals.length > 0) { + this.locked = true; + this.key_up_off(modal); // PATCH #3: turning on key up capture only when a reveal window is open + modal.trigger('close').trigger('close.fndtn.reveal'); + this.toggle_bg(modal, false); + this.hide(open_modals, settings.css.close, settings); + } + }, + + close_targets : function () { + var base = '.' + this.settings.dismiss_modal_class; + + if (this.settings.close_on_background_click) { + return base + ', .' + this.settings.bg_class; + } + + return base; + }, + + toggle_bg : function (modal, state) { + if (this.S('.' + this.settings.bg_class).length === 0) { + this.settings.bg = $('
          ', {'class': this.settings.bg_class}) + .appendTo('body').hide(); + } + + var visible = this.settings.bg.filter(':visible').length > 0; + if ( state != visible ) { + if ( state == undefined ? visible : !state ) { + this.hide(this.settings.bg); + } else { + this.show(this.settings.bg); + } + } + }, + + show : function (el, css) { + // is modal + if (css) { + var settings = el.data(this.attr_name(true) + '-init') || this.settings, + root_element = settings.root_element; + + if (el.parent(root_element).length === 0) { + var placeholder = el.wrap('
          ').parent(); + + el.on('closed.fndtn.reveal.wrapped', function() { + el.detach().appendTo(placeholder); + el.unwrap().unbind('closed.fndtn.reveal.wrapped'); + }); + + el.detach().appendTo(root_element); + } + + var animData = getAnimationData(settings.animation); + if (!animData.animate) { + this.locked = false; + } + if (animData.pop) { + css.top = $(window).scrollTop() - el.data('offset') + 'px'; + var end_css = { + top: $(window).scrollTop() + el.data('css-top') + 'px', + opacity: 1 + }; + + return setTimeout(function () { + return el + .css(css) + .animate(end_css, settings.animation_speed, 'linear', function () { + this.locked = false; + el.trigger('opened').trigger('opened.fndtn.reveal'); + }.bind(this)) + .addClass('open'); + }.bind(this), settings.animation_speed / 2); + } + + if (animData.fade) { + css.top = $(window).scrollTop() + el.data('css-top') + 'px'; + var end_css = {opacity: 1}; + + return setTimeout(function () { + return el + .css(css) + .animate(end_css, settings.animation_speed, 'linear', function () { + this.locked = false; + el.trigger('opened').trigger('opened.fndtn.reveal'); + }.bind(this)) + .addClass('open'); + }.bind(this), settings.animation_speed / 2); + } + + return el.css(css).show().css({opacity: 1}).addClass('open').trigger('opened').trigger('opened.fndtn.reveal'); + } + + var settings = this.settings; + + // should we animate the background? + if (getAnimationData(settings.animation).fade) { + return el.fadeIn(settings.animation_speed / 2); + } + + this.locked = false; + + return el.show(); + }, + + hide : function (el, css) { + // is modal + if (css) { + var settings = el.data(this.attr_name(true) + '-init'); + settings = settings || this.settings; + + var animData = getAnimationData(settings.animation); + if (!animData.animate) { + this.locked = false; + } + if (animData.pop) { + var end_css = { + top: - $(window).scrollTop() - el.data('offset') + 'px', + opacity: 0 + }; + + return setTimeout(function () { + return el + .animate(end_css, settings.animation_speed, 'linear', function () { + this.locked = false; + el.css(css).trigger('closed').trigger('closed.fndtn.reveal'); + }.bind(this)) + .removeClass('open'); + }.bind(this), settings.animation_speed / 2); + } + + if (animData.fade) { + var end_css = {opacity: 0}; + + return setTimeout(function () { + return el + .animate(end_css, settings.animation_speed, 'linear', function () { + this.locked = false; + el.css(css).trigger('closed').trigger('closed.fndtn.reveal'); + }.bind(this)) + .removeClass('open'); + }.bind(this), settings.animation_speed / 2); + } + + return el.hide().css(css).removeClass('open').trigger('closed').trigger('closed.fndtn.reveal'); + } + + var settings = this.settings; + + // should we animate the background? + if (getAnimationData(settings.animation).fade) { + return el.fadeOut(settings.animation_speed / 2); + } + + return el.hide(); + }, + + close_video : function (e) { + var video = $('.flex-video', e.target), + iframe = $('iframe', video); + + if (iframe.length > 0) { + iframe.attr('data-src', iframe[0].src); + iframe.attr('src', iframe.attr('src')); + video.hide(); + } + }, + + open_video : function (e) { + var video = $('.flex-video', e.target), + iframe = video.find('iframe'); + + if (iframe.length > 0) { + var data_src = iframe.attr('data-src'); + if (typeof data_src === 'string') { + iframe[0].src = iframe.attr('data-src'); + } else { + var src = iframe[0].src; + iframe[0].src = undefined; + iframe[0].src = src; + } + video.show(); + } + }, + + data_attr: function (str) { + if (this.namespace.length > 0) { + return this.namespace + '-' + str; + } + + return str; + }, + + cache_offset : function (modal) { + var offset = modal.show().height() + parseInt(modal.css('top'), 10); + + modal.hide(); + + return offset; + }, + + off : function () { + $(this.scope).off('.fndtn.reveal'); + }, + + reflow : function () {} + }; + + /* + * getAnimationData('popAndFade') // {animate: true, pop: true, fade: true} + * getAnimationData('fade') // {animate: true, pop: false, fade: true} + * getAnimationData('pop') // {animate: true, pop: true, fade: false} + * getAnimationData('foo') // {animate: false, pop: false, fade: false} + * getAnimationData(null) // {animate: false, pop: false, fade: false} + */ + function getAnimationData(str) { + var fade = /fade/i.test(str); + var pop = /pop/i.test(str); + return { + animate: fade || pop, + pop: pop, + fade: fade + }; + } +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.interchange = { + name : 'interchange', + + version : '5.4.7', + + cache : {}, + + images_loaded : false, + nodes_loaded : false, + + settings : { + load_attr : 'interchange', + + named_queries : { + 'default' : 'only screen', + small : Foundation.media_queries.small, + medium : Foundation.media_queries.medium, + large : Foundation.media_queries.large, + xlarge : Foundation.media_queries.xlarge, + xxlarge: Foundation.media_queries.xxlarge, + landscape : 'only screen and (orientation: landscape)', + portrait : 'only screen and (orientation: portrait)', + retina : 'only screen and (-webkit-min-device-pixel-ratio: 2),' + + 'only screen and (min--moz-device-pixel-ratio: 2),' + + 'only screen and (-o-min-device-pixel-ratio: 2/1),' + + 'only screen and (min-device-pixel-ratio: 2),' + + 'only screen and (min-resolution: 192dpi),' + + 'only screen and (min-resolution: 2dppx)' + }, + + directives : { + replace: function (el, path, trigger) { + // The trigger argument, if called within the directive, fires + // an event named after the directive on the element, passing + // any parameters along to the event that you pass to trigger. + // + // ex. trigger(), trigger([a, b, c]), or trigger(a, b, c) + // + // This allows you to bind a callback like so: + // $('#interchangeContainer').on('replace', function (e, a, b, c) { + // console.log($(this).html(), a, b, c); + // }); + + if (/IMG/.test(el[0].nodeName)) { + var orig_path = el[0].src; + + if (new RegExp(path, 'i').test(orig_path)) return; + + el[0].src = path; + + return trigger(el[0].src); + } + var last_path = el.data(this.data_attr + '-last-path'), + self = this; + + if (last_path == path) return; + + if (/\.(gif|jpg|jpeg|tiff|png)([?#].*)?/i.test(path)) { + $(el).css('background-image', 'url('+path+')'); + el.data('interchange-last-path', path); + return trigger(path); + } + + return $.get(path, function (response) { + el.html(response); + el.data(self.data_attr + '-last-path', path); + trigger(); + }); + + } + } + }, + + init : function (scope, method, options) { + Foundation.inherit(this, 'throttle random_str'); + + this.data_attr = this.set_data_attr(); + $.extend(true, this.settings, method, options); + this.bindings(method, options); + this.load('images'); + this.load('nodes'); + }, + + get_media_hash : function() { + var mediaHash=''; + for (var queryName in this.settings.named_queries ) { + mediaHash += matchMedia(this.settings.named_queries[queryName]).matches.toString(); + } + return mediaHash; + }, + + events : function () { + var self = this, prevMediaHash; + + $(window) + .off('.interchange') + .on('resize.fndtn.interchange', self.throttle(function () { + var currMediaHash = self.get_media_hash(); + if (currMediaHash !== prevMediaHash) { + self.resize(); + } + prevMediaHash = currMediaHash; + }, 50)); + + return this; + }, + + resize : function () { + var cache = this.cache; + + if(!this.images_loaded || !this.nodes_loaded) { + setTimeout($.proxy(this.resize, this), 50); + return; + } + + for (var uuid in cache) { + if (cache.hasOwnProperty(uuid)) { + var passed = this.results(uuid, cache[uuid]); + + if (passed) { + this.settings.directives[passed + .scenario[1]].call(this, passed.el, passed.scenario[0], function () { + if (arguments[0] instanceof Array) { + var args = arguments[0]; + } else { + var args = Array.prototype.slice.call(arguments, 0); + } + + passed.el.trigger(passed.scenario[1], args); + }); + } + } + } + + }, + + results : function (uuid, scenarios) { + var count = scenarios.length; + + if (count > 0) { + var el = this.S('[' + this.add_namespace('data-uuid') + '="' + uuid + '"]'); + + while (count--) { + var mq, rule = scenarios[count][2]; + if (this.settings.named_queries.hasOwnProperty(rule)) { + mq = matchMedia(this.settings.named_queries[rule]); + } else { + mq = matchMedia(rule); + } + if (mq.matches) { + return {el: el, scenario: scenarios[count]}; + } + } + } + + return false; + }, + + load : function (type, force_update) { + if (typeof this['cached_' + type] === 'undefined' || force_update) { + this['update_' + type](); + } + + return this['cached_' + type]; + }, + + update_images : function () { + var images = this.S('img[' + this.data_attr + ']'), + count = images.length, + i = count, + loaded_count = 0, + data_attr = this.data_attr; + + this.cache = {}; + this.cached_images = []; + this.images_loaded = (count === 0); + + while (i--) { + loaded_count++; + if (images[i]) { + var str = images[i].getAttribute(data_attr) || ''; + + if (str.length > 0) { + this.cached_images.push(images[i]); + } + } + + if (loaded_count === count) { + this.images_loaded = true; + this.enhance('images'); + } + } + + return this; + }, + + update_nodes : function () { + var nodes = this.S('[' + this.data_attr + ']').not('img'), + count = nodes.length, + i = count, + loaded_count = 0, + data_attr = this.data_attr; + + this.cached_nodes = []; + this.nodes_loaded = (count === 0); + + + while (i--) { + loaded_count++; + var str = nodes[i].getAttribute(data_attr) || ''; + + if (str.length > 0) { + this.cached_nodes.push(nodes[i]); + } + + if(loaded_count === count) { + this.nodes_loaded = true; + this.enhance('nodes'); + } + } + + return this; + }, + + enhance : function (type) { + var i = this['cached_' + type].length; + + while (i--) { + this.object($(this['cached_' + type][i])); + } + + return $(window).trigger('resize').trigger('resize.fndtn.interchange'); + }, + + convert_directive : function (directive) { + + var trimmed = this.trim(directive); + + if (trimmed.length > 0) { + return trimmed; + } + + return 'replace'; + }, + + parse_scenario : function (scenario) { + // This logic had to be made more complex since some users were using commas in the url path + // So we cannot simply just split on a comma + var directive_match = scenario[0].match(/(.+),\s*(\w+)\s*$/), + media_query = scenario[1]; + + if (directive_match) { + var path = directive_match[1], + directive = directive_match[2]; + } + else { + var cached_split = scenario[0].split(/,\s*$/), + path = cached_split[0], + directive = ''; + } + + return [this.trim(path), this.convert_directive(directive), this.trim(media_query)]; + }, + + object : function(el) { + var raw_arr = this.parse_data_attr(el), + scenarios = [], + i = raw_arr.length; + + if (i > 0) { + while (i--) { + var split = raw_arr[i].split(/\((.*?)(\))$/); + + if (split.length > 1) { + var params = this.parse_scenario(split); + scenarios.push(params); + } + } + } + + return this.store(el, scenarios); + }, + + store : function (el, scenarios) { + var uuid = this.random_str(), + current_uuid = el.data(this.add_namespace('uuid', true)); + + if (this.cache[current_uuid]) return this.cache[current_uuid]; + + el.attr(this.add_namespace('data-uuid'), uuid); + + return this.cache[uuid] = scenarios; + }, + + trim : function(str) { + + if (typeof str === 'string') { + return $.trim(str); + } + + return str; + }, + + set_data_attr: function (init) { + if (init) { + if (this.namespace.length > 0) { + return this.namespace + '-' + this.settings.load_attr; + } + + return this.settings.load_attr; + } + + if (this.namespace.length > 0) { + return 'data-' + this.namespace + '-' + this.settings.load_attr; + } + + return 'data-' + this.settings.load_attr; + }, + + parse_data_attr : function (el) { + var raw = el.attr(this.attr_name()).split(/\[(.*?)\]/), + i = raw.length, + output = []; + + while (i--) { + if (raw[i].replace(/[\W\d]+/, '').length > 4) { + output.push(raw[i]); + } + } + + return output; + }, + + reflow : function () { + this.load('images', true); + this.load('nodes', true); + } + + }; + +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs['magellan-expedition'] = { + name : 'magellan-expedition', + + version : '5.4.7', + + settings : { + active_class: 'active', + threshold: 0, // pixels from the top of the expedition for it to become fixes + destination_threshold: 20, // pixels from the top of destination for it to be considered active + throttle_delay: 30, // calculation throttling to increase framerate + fixed_top: 0 // top distance in pixels assigend to the fixed element on scroll + }, + + init : function (scope, method, options) { + Foundation.inherit(this, 'throttle'); + this.bindings(method, options); + }, + + events : function () { + var self = this, + S = self.S, + settings = self.settings; + + // initialize expedition offset + self.set_expedition_position(); + + S(self.scope) + .off('.magellan') + .on('click.fndtn.magellan', '[' + self.add_namespace('data-magellan-arrival') + '] a[href^="#"]', function (e) { + e.preventDefault(); + var expedition = $(this).closest('[' + self.attr_name() + ']'), + settings = expedition.data('magellan-expedition-init'), + hash = this.hash.split('#').join(''), + target = $("a[name='"+hash+"']"); + + if (target.length === 0) { + target = $('#'+hash); + + } + + + // Account for expedition height if fixed position + var scroll_top = target.offset().top - settings.destination_threshold + 1; + scroll_top = scroll_top - expedition.outerHeight(); + + $('html, body').stop().animate({ + 'scrollTop': scroll_top + }, 700, 'swing', function () { + if(history.pushState) { + history.pushState(null, null, '#'+hash); + } + else { + location.hash = '#'+hash; + } + }); + }) + .on('scroll.fndtn.magellan', self.throttle(this.check_for_arrivals.bind(this), settings.throttle_delay)); + + $(window) + .on('resize.fndtn.magellan', self.throttle(this.set_expedition_position.bind(this), settings.throttle_delay)); + }, + + check_for_arrivals : function() { + var self = this; + self.update_arrivals(); + self.update_expedition_positions(); + }, + + set_expedition_position : function() { + var self = this; + $('[' + this.attr_name() + '=fixed]', self.scope).each(function(idx, el) { + var expedition = $(this), + settings = expedition.data('magellan-expedition-init'), + styles = expedition.attr('styles'), // save styles + top_offset, fixed_top; + + expedition.attr('style', ''); + top_offset = expedition.offset().top + settings.threshold; + + //set fixed-top by attribute + fixed_top = parseInt(expedition.data('magellan-fixed-top')); + if(!isNaN(fixed_top)) + self.settings.fixed_top = fixed_top; + + expedition.data(self.data_attr('magellan-top-offset'), top_offset); + expedition.attr('style', styles); + }); + }, + + update_expedition_positions : function() { + var self = this, + window_top_offset = $(window).scrollTop(); + + $('[' + this.attr_name() + '=fixed]', self.scope).each(function() { + var expedition = $(this), + settings = expedition.data('magellan-expedition-init'), + styles = expedition.attr('style'), // save styles + top_offset = expedition.data('magellan-top-offset'); + + //scroll to the top distance + if (window_top_offset+self.settings.fixed_top >= top_offset) { + // Placeholder allows height calculations to be consistent even when + // appearing to switch between fixed/non-fixed placement + var placeholder = expedition.prev('[' + self.add_namespace('data-magellan-expedition-clone') + ']'); + if (placeholder.length === 0) { + placeholder = expedition.clone(); + placeholder.removeAttr(self.attr_name()); + placeholder.attr(self.add_namespace('data-magellan-expedition-clone'),''); + expedition.before(placeholder); + } + expedition.css({position:'fixed', top: settings.fixed_top}).addClass('fixed'); + } else { + expedition.prev('[' + self.add_namespace('data-magellan-expedition-clone') + ']').remove(); + expedition.attr('style',styles).css('position','').css('top','').removeClass('fixed'); + } + }); + }, + + update_arrivals : function() { + var self = this, + window_top_offset = $(window).scrollTop(); + + $('[' + this.attr_name() + ']', self.scope).each(function() { + var expedition = $(this), + settings = expedition.data(self.attr_name(true) + '-init'), + offsets = self.offsets(expedition, window_top_offset), + arrivals = expedition.find('[' + self.add_namespace('data-magellan-arrival') + ']'), + active_item = false; + offsets.each(function(idx, item) { + if (item.viewport_offset >= item.top_offset) { + var arrivals = expedition.find('[' + self.add_namespace('data-magellan-arrival') + ']'); + arrivals.not(item.arrival).removeClass(settings.active_class); + item.arrival.addClass(settings.active_class); + active_item = true; + return true; + } + }); + + if (!active_item) arrivals.removeClass(settings.active_class); + }); + }, + + offsets : function(expedition, window_offset) { + var self = this, + settings = expedition.data(self.attr_name(true) + '-init'), + viewport_offset = window_offset; + + return expedition.find('[' + self.add_namespace('data-magellan-arrival') + ']').map(function(idx, el) { + var name = $(this).data(self.data_attr('magellan-arrival')), + dest = $('[' + self.add_namespace('data-magellan-destination') + '=' + name + ']'); + if (dest.length > 0) { + var top_offset = Math.floor(dest.offset().top - settings.destination_threshold - expedition.outerHeight()); + return { + destination : dest, + arrival : $(this), + top_offset : top_offset, + viewport_offset : viewport_offset + } + } + }).sort(function(a, b) { + if (a.top_offset < b.top_offset) return -1; + if (a.top_offset > b.top_offset) return 1; + return 0; + }); + }, + + data_attr: function (str) { + if (this.namespace.length > 0) { + return this.namespace + '-' + str; + } + + return str; + }, + + off : function () { + this.S(this.scope).off('.magellan'); + this.S(window).off('.magellan'); + }, + + reflow : function () { + var self = this; + // remove placeholder expeditions used for height calculation purposes + $('[' + self.add_namespace('data-magellan-expedition-clone') + ']', self.scope).remove(); + } + }; +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.accordion = { + name : 'accordion', + + version : '5.4.7', + + settings : { + content_class: 'content', + active_class: 'active', + multi_expand: false, + toggleable: true, + callback : function () {} + }, + + init : function (scope, method, options) { + this.bindings(method, options); + }, + + events : function () { + var self = this; + var S = this.S; + S(this.scope) + .off('.fndtn.accordion') + .on('click.fndtn.accordion', '[' + this.attr_name() + '] > dd > a', function (e) { + var accordion = S(this).closest('[' + self.attr_name() + ']'), + groupSelector = self.attr_name() + '=' + accordion.attr(self.attr_name()), + settings = accordion.data(self.attr_name(true) + '-init'), + target = S('#' + this.href.split('#')[1]), + aunts = $('> dd', accordion), + siblings = aunts.children('.'+settings.content_class), + active_content = siblings.filter('.' + settings.active_class); + e.preventDefault(); + + if (accordion.attr(self.attr_name())) { + siblings = siblings.add('[' + groupSelector + '] dd > .'+settings.content_class); + aunts = aunts.add('[' + groupSelector + '] dd'); + } + + if (settings.toggleable && target.is(active_content)) { + target.parent('dd').toggleClass(settings.active_class, false); + target.toggleClass(settings.active_class, false); + settings.callback(target); + target.triggerHandler('toggled', [accordion]); + accordion.triggerHandler('toggled', [target]); + return; + } + + if (!settings.multi_expand) { + siblings.removeClass(settings.active_class); + aunts.removeClass(settings.active_class); + } + + target.addClass(settings.active_class).parent().addClass(settings.active_class); + settings.callback(target); + target.triggerHandler('toggled', [accordion]); + accordion.triggerHandler('toggled', [target]); + }); + }, + + off : function () {}, + + reflow : function () {} + }; +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.topbar = { + name : 'topbar', + + version: '5.4.7', + + settings : { + index : 0, + sticky_class : 'sticky', + custom_back_text: true, + back_text: 'Back', + mobile_show_parent_link: true, + is_hover: true, + scrolltop : true, // jump to top when sticky nav menu toggle is clicked + sticky_on : 'all' + }, + + init : function (section, method, options) { + Foundation.inherit(this, 'add_custom_rule register_media throttle'); + var self = this; + + self.register_media('topbar', 'foundation-mq-topbar'); + + this.bindings(method, options); + + self.S('[' + this.attr_name() + ']', this.scope).each(function () { + var topbar = $(this), + settings = topbar.data(self.attr_name(true) + '-init'), + section = self.S('section, .top-bar-section', this); + topbar.data('index', 0); + var topbarContainer = topbar.parent(); + if (topbarContainer.hasClass('fixed') || self.is_sticky(topbar, topbarContainer, settings) ) { + self.settings.sticky_class = settings.sticky_class; + self.settings.sticky_topbar = topbar; + topbar.data('height', topbarContainer.outerHeight()); + topbar.data('stickyoffset', topbarContainer.offset().top); + } else { + topbar.data('height', topbar.outerHeight()); + } + + if (!settings.assembled) { + self.assemble(topbar); + } + + if (settings.is_hover) { + self.S('.has-dropdown', topbar).addClass('not-click'); + } else { + self.S('.has-dropdown', topbar).removeClass('not-click'); + } + + // Pad body when sticky (scrolled) or fixed. + self.add_custom_rule('.f-topbar-fixed { padding-top: ' + topbar.data('height') + 'px }'); + + if (topbarContainer.hasClass('fixed')) { + self.S('body').addClass('f-topbar-fixed'); + } + }); + + }, + + is_sticky: function (topbar, topbarContainer, settings) { + var sticky = topbarContainer.hasClass(settings.sticky_class); + + if (sticky && settings.sticky_on === 'all') { + return true; + } else if (sticky && this.small() && settings.sticky_on === 'small') { + return (matchMedia(Foundation.media_queries.small).matches && !matchMedia(Foundation.media_queries.medium).matches && + !matchMedia(Foundation.media_queries.large).matches); + //return true; + } else if (sticky && this.medium() && settings.sticky_on === 'medium') { + return (matchMedia(Foundation.media_queries.small).matches && matchMedia(Foundation.media_queries.medium).matches && + !matchMedia(Foundation.media_queries.large).matches); + //return true; + } else if(sticky && this.large() && settings.sticky_on === 'large') { + return (matchMedia(Foundation.media_queries.small).matches && matchMedia(Foundation.media_queries.medium).matches && + matchMedia(Foundation.media_queries.large).matches); + //return true; + } + + return false; + }, + + toggle: function (toggleEl) { + var self = this, + topbar; + + if (toggleEl) { + topbar = self.S(toggleEl).closest('[' + this.attr_name() + ']'); + } else { + topbar = self.S('[' + this.attr_name() + ']'); + } + + var settings = topbar.data(this.attr_name(true) + '-init'); + + var section = self.S('section, .top-bar-section', topbar); + + if (self.breakpoint()) { + if (!self.rtl) { + section.css({left: '0%'}); + $('>.name', section).css({left: '100%'}); + } else { + section.css({right: '0%'}); + $('>.name', section).css({right: '100%'}); + } + + self.S('li.moved', section).removeClass('moved'); + topbar.data('index', 0); + + topbar + .toggleClass('expanded') + .css('height', ''); + } + + if (settings.scrolltop) { + if (!topbar.hasClass('expanded')) { + if (topbar.hasClass('fixed')) { + topbar.parent().addClass('fixed'); + topbar.removeClass('fixed'); + self.S('body').addClass('f-topbar-fixed'); + } + } else if (topbar.parent().hasClass('fixed')) { + if (settings.scrolltop) { + topbar.parent().removeClass('fixed'); + topbar.addClass('fixed'); + self.S('body').removeClass('f-topbar-fixed'); + + window.scrollTo(0,0); + } else { + topbar.parent().removeClass('expanded'); + } + } + } else { + if (self.is_sticky(topbar, topbar.parent(), settings)) { + topbar.parent().addClass('fixed'); + } + + if (topbar.parent().hasClass('fixed')) { + if (!topbar.hasClass('expanded')) { + topbar.removeClass('fixed'); + topbar.parent().removeClass('expanded'); + self.update_sticky_positioning(); + } else { + topbar.addClass('fixed'); + topbar.parent().addClass('expanded'); + self.S('body').addClass('f-topbar-fixed'); + } + } + } + }, + + timer : null, + + events : function (bar) { + var self = this, + S = this.S; + + S(this.scope) + .off('.topbar') + .on('click.fndtn.topbar', '[' + this.attr_name() + '] .toggle-topbar', function (e) { + e.preventDefault(); + self.toggle(this); + }) + .on('click.fndtn.topbar','.top-bar .top-bar-section li a[href^="#"],[' + this.attr_name() + '] .top-bar-section li a[href^="#"]',function (e) { + var li = $(this).closest('li'); + if(self.breakpoint() && !li.hasClass('back') && !li.hasClass('has-dropdown')) + { + self.toggle(); + } + }) + .on('click.fndtn.topbar', '[' + this.attr_name() + '] li.has-dropdown', function (e) { + var li = S(this), + target = S(e.target), + topbar = li.closest('[' + self.attr_name() + ']'), + settings = topbar.data(self.attr_name(true) + '-init'); + + if(target.data('revealId')) { + self.toggle(); + return; + } + + if (self.breakpoint()) return; + if (settings.is_hover && !Modernizr.touch) return; + + e.stopImmediatePropagation(); + + if (li.hasClass('hover')) { + li + .removeClass('hover') + .find('li') + .removeClass('hover'); + + li.parents('li.hover') + .removeClass('hover'); + } else { + li.addClass('hover'); + + $(li).siblings().removeClass('hover'); + + if (target[0].nodeName === 'A' && target.parent().hasClass('has-dropdown')) { + e.preventDefault(); + } + } + }) + .on('click.fndtn.topbar', '[' + this.attr_name() + '] .has-dropdown>a', function (e) { + if (self.breakpoint()) { + + e.preventDefault(); + + var $this = S(this), + topbar = $this.closest('[' + self.attr_name() + ']'), + section = topbar.find('section, .top-bar-section'), + dropdownHeight = $this.next('.dropdown').outerHeight(), + $selectedLi = $this.closest('li'); + + topbar.data('index', topbar.data('index') + 1); + $selectedLi.addClass('moved'); + + if (!self.rtl) { + section.css({left: -(100 * topbar.data('index')) + '%'}); + section.find('>.name').css({left: 100 * topbar.data('index') + '%'}); + } else { + section.css({right: -(100 * topbar.data('index')) + '%'}); + section.find('>.name').css({right: 100 * topbar.data('index') + '%'}); + } + + topbar.css('height', $this.siblings('ul').outerHeight(true) + topbar.data('height')); + } + }); + + S(window).off(".topbar").on("resize.fndtn.topbar", self.throttle(function() { + self.resize.call(self); + }, 50)).trigger("resize").trigger("resize.fndtn.topbar").load(function(){ + // Ensure that the offset is calculated after all of the pages resources have loaded + S(this).trigger("resize.fndtn.topbar"); + }); + + S('body').off('.topbar').on('click.fndtn.topbar', function (e) { + var parent = S(e.target).closest('li').closest('li.hover'); + + if (parent.length > 0) { + return; + } + + S('[' + self.attr_name() + '] li.hover').removeClass('hover'); + }); + + // Go up a level on Click + S(this.scope).on('click.fndtn.topbar', '[' + this.attr_name() + '] .has-dropdown .back', function (e) { + e.preventDefault(); + + var $this = S(this), + topbar = $this.closest('[' + self.attr_name() + ']'), + section = topbar.find('section, .top-bar-section'), + settings = topbar.data(self.attr_name(true) + '-init'), + $movedLi = $this.closest('li.moved'), + $previousLevelUl = $movedLi.parent(); + + topbar.data('index', topbar.data('index') - 1); + + if (!self.rtl) { + section.css({left: -(100 * topbar.data('index')) + '%'}); + section.find('>.name').css({left: 100 * topbar.data('index') + '%'}); + } else { + section.css({right: -(100 * topbar.data('index')) + '%'}); + section.find('>.name').css({right: 100 * topbar.data('index') + '%'}); + } + + if (topbar.data('index') === 0) { + topbar.css('height', ''); + } else { + topbar.css('height', $previousLevelUl.outerHeight(true) + topbar.data('height')); + } + + setTimeout(function () { + $movedLi.removeClass('moved'); + }, 300); + }); + + // Show dropdown menus when their items are focused + S(this.scope).find('.dropdown a') + .focus(function() { + $(this).parents('.has-dropdown').addClass('hover'); + }) + .blur(function() { + $(this).parents('.has-dropdown').removeClass('hover'); + }); + }, + + resize : function () { + var self = this; + self.S('[' + this.attr_name() + ']').each(function () { + var topbar = self.S(this), + settings = topbar.data(self.attr_name(true) + '-init'); + + var stickyContainer = topbar.parent('.' + self.settings.sticky_class); + var stickyOffset; + + if (!self.breakpoint()) { + var doToggle = topbar.hasClass('expanded'); + topbar + .css('height', '') + .removeClass('expanded') + .find('li') + .removeClass('hover'); + + if(doToggle) { + self.toggle(topbar); + } + } + + if(self.is_sticky(topbar, stickyContainer, settings)) { + if(stickyContainer.hasClass('fixed')) { + // Remove the fixed to allow for correct calculation of the offset. + stickyContainer.removeClass('fixed'); + + stickyOffset = stickyContainer.offset().top; + if(self.S(document.body).hasClass('f-topbar-fixed')) { + stickyOffset -= topbar.data('height'); + } + + topbar.data('stickyoffset', stickyOffset); + stickyContainer.addClass('fixed'); + } else { + stickyOffset = stickyContainer.offset().top; + topbar.data('stickyoffset', stickyOffset); + } + } + + }); + }, + + breakpoint : function () { + return !matchMedia(Foundation.media_queries['topbar']).matches; + }, + + small : function () { + return matchMedia(Foundation.media_queries['small']).matches; + }, + + medium : function () { + return matchMedia(Foundation.media_queries['medium']).matches; + }, + + large : function () { + return matchMedia(Foundation.media_queries['large']).matches; + }, + + assemble : function (topbar) { + var self = this, + settings = topbar.data(this.attr_name(true) + '-init'), + section = self.S('section, .top-bar-section', topbar); + + // Pull element out of the DOM for manipulation + section.detach(); + + self.S('.has-dropdown>a', section).each(function () { + var $link = self.S(this), + $dropdown = $link.siblings('.dropdown'), + url = $link.attr('href'), + $titleLi; + + + if (!$dropdown.find('.title.back').length) { + + if (settings.mobile_show_parent_link == true && url) { + $titleLi = $('
        2. '); + } else { + $titleLi = $('
        3. '); + } + + // Copy link to subnav + if (settings.custom_back_text == true) { + $('h5>a', $titleLi).html(settings.back_text); + } else { + $('h5>a', $titleLi).html('« ' + $link.html()); + } + $dropdown.prepend($titleLi); + } + }); + + // Put element back in the DOM + section.appendTo(topbar); + + // check for sticky + this.sticky(); + + this.assembled(topbar); + }, + + assembled : function (topbar) { + topbar.data(this.attr_name(true), $.extend({}, topbar.data(this.attr_name(true)), {assembled: true})); + }, + + height : function (ul) { + var total = 0, + self = this; + + $('> li', ul).each(function () { + total += self.S(this).outerHeight(true); + }); + + return total; + }, + + sticky : function () { + var self = this; + + this.S(window).on('scroll', function() { + self.update_sticky_positioning(); + }); + }, + + update_sticky_positioning: function() { + var klass = '.' + this.settings.sticky_class, + $window = this.S(window), + self = this; + + if (self.settings.sticky_topbar && self.is_sticky(this.settings.sticky_topbar,this.settings.sticky_topbar.parent(), this.settings)) { + var distance = this.settings.sticky_topbar.data('stickyoffset'); + if (!self.S(klass).hasClass('expanded')) { + if ($window.scrollTop() > (distance)) { + if (!self.S(klass).hasClass('fixed')) { + self.S(klass).addClass('fixed'); + self.S('body').addClass('f-topbar-fixed'); + } + } else if ($window.scrollTop() <= distance) { + if (self.S(klass).hasClass('fixed')) { + self.S(klass).removeClass('fixed'); + self.S('body').removeClass('f-topbar-fixed'); + } + } + } + } + }, + + off : function () { + this.S(this.scope).off('.fndtn.topbar'); + this.S(window).off('.fndtn.topbar'); + }, + + reflow : function () {} + }; +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.tab = { + name : 'tab', + + version : '5.4.7', + + settings : { + active_class: 'active', + callback : function () {}, + deep_linking: false, + scroll_to_content: true, + is_hover: false + }, + + default_tab_hashes: [], + + init : function (scope, method, options) { + var self = this, + S = this.S; + + this.bindings(method, options); + this.handle_location_hash_change(); + + // Store the default active tabs which will be referenced when the + // location hash is absent, as in the case of navigating the tabs and + // returning to the first viewing via the browser Back button. + S('[' + this.attr_name() + '] > .active > a', this.scope).each(function () { + self.default_tab_hashes.push(this.hash); + }); + }, + + events : function () { + var self = this, + S = this.S; + + var usual_tab_behavior = function (e) { + var settings = S(this).closest('[' + self.attr_name() +']').data(self.attr_name(true) + '-init'); + if (!settings.is_hover || Modernizr.touch) { + e.preventDefault(); + e.stopPropagation(); + self.toggle_active_tab(S(this).parent()); + } + }; + + S(this.scope) + .off('.tab') + // Click event: tab title + .on('focus.fndtn.tab', '[' + this.attr_name() + '] > * > a', usual_tab_behavior ) + .on('click.fndtn.tab', '[' + this.attr_name() + '] > * > a', usual_tab_behavior ) + // Hover event: tab title + .on('mouseenter.fndtn.tab', '[' + this.attr_name() + '] > * > a', function (e) { + var settings = S(this).closest('[' + self.attr_name() +']').data(self.attr_name(true) + '-init'); + if (settings.is_hover) self.toggle_active_tab(S(this).parent()); + }); + + // Location hash change event + S(window).on('hashchange.fndtn.tab', function (e) { + e.preventDefault(); + self.handle_location_hash_change(); + }); + }, + + handle_location_hash_change : function () { + + var self = this, + S = this.S; + + S('[' + this.attr_name() + ']', this.scope).each(function () { + var settings = S(this).data(self.attr_name(true) + '-init'); + if (settings.deep_linking) { + // Match the location hash to a label + var hash; + if (settings.scroll_to_content) { + hash = self.scope.location.hash; + } else { + // prefix the hash to prevent anchor scrolling + hash = self.scope.location.hash.replace('fndtn-', ''); + } + if (hash != '') { + // Check whether the location hash references a tab content div or + // another element on the page (inside or outside the tab content div) + var hash_element = S(hash); + if (hash_element.hasClass('content') && hash_element.parent().hasClass('tabs-content')) { + // Tab content div + self.toggle_active_tab($('[' + self.attr_name() + '] > * > a[href=' + hash + ']').parent()); + } else { + // Not the tab content div. If inside the tab content, find the + // containing tab and toggle it as active. + var hash_tab_container_id = hash_element.closest('.content').attr('id'); + if (hash_tab_container_id != undefined) { + self.toggle_active_tab($('[' + self.attr_name() + '] > * > a[href=#' + hash_tab_container_id + ']').parent(), hash); + } + } + } else { + // Reference the default tab hashes which were initialized in the init function + for (var ind = 0; ind < self.default_tab_hashes.length; ind++) { + self.toggle_active_tab($('[' + self.attr_name() + '] > * > a[href=' + self.default_tab_hashes[ind] + ']').parent()); + } + } + } + }); + }, + + toggle_active_tab: function (tab, location_hash) { + var S = this.S, + tabs = tab.closest('[' + this.attr_name() + ']'), + tab_link = tab.find('a'), + anchor = tab.children('a').first(), + target_hash = '#' + anchor.attr('href').split('#')[1], + target = S(target_hash), + siblings = tab.siblings(), + settings = tabs.data(this.attr_name(true) + '-init'), + interpret_keyup_action = function(e) { + // Light modification of Heydon Pickering's Practical ARIA Examples: http://heydonworks.com/practical_aria_examples/js/a11y.js + + // define current, previous and next (possible) tabs + + var $original = $(this); + var $prev = $(this).parents('li').prev().children('[role="tab"]'); + var $next = $(this).parents('li').next().children('[role="tab"]'); + var $target; + + // find the direction (prev or next) + + switch (e.keyCode) { + case 37: + $target = $prev; + break; + case 39: + $target = $next; + break; + default: + $target = false + break; + } + + if ($target.length) { + $original.attr({ + 'tabindex' : '-1', + 'aria-selected' : null + }); + $target.attr({ + 'tabindex' : '0', + 'aria-selected' : true + }).focus(); + } + + // Hide panels + + $('[role="tabpanel"]') + .attr('aria-hidden', 'true'); + + // Show panel which corresponds to target + + $('#' + $(document.activeElement).attr('href').substring(1)) + .attr('aria-hidden', null); + + }; + + // allow usage of data-tab-content attribute instead of href + if (S(this).data(this.data_attr('tab-content'))) { + target_hash = '#' + S(this).data(this.data_attr('tab-content')).split('#')[1]; + target = S(target_hash); + } + + if (settings.deep_linking) { + + if (settings.scroll_to_content) { + // retain current hash to scroll to content + window.location.hash = location_hash || target_hash; + if (location_hash == undefined || location_hash == target_hash) { + tab.parent()[0].scrollIntoView(); + } else { + S(target_hash)[0].scrollIntoView(); + } + } else { + // prefix the hashes so that the browser doesn't scroll down + if (location_hash != undefined) { + window.location.hash = 'fndtn-' + location_hash.replace('#', ''); + } else { + window.location.hash = 'fndtn-' + target_hash.replace('#', ''); + } + } + } + + // WARNING: The activation and deactivation of the tab content must + // occur after the deep linking in order to properly refresh the browser + // window (notably in Chrome). + // Clean up multiple attr instances to done once + tab.addClass(settings.active_class).triggerHandler('opened'); + tab_link.attr({"aria-selected": "true", tabindex: 0}); + siblings.removeClass(settings.active_class) + siblings.find('a').attr({"aria-selected": "false", tabindex: -1}); + target.siblings().removeClass(settings.active_class).attr({"aria-hidden": "true", tabindex: -1}); + target.addClass(settings.active_class).attr('aria-hidden', 'false').removeAttr("tabindex"); + settings.callback(tab); + target.triggerHandler('toggled', [tab]); + tabs.triggerHandler('toggled', [target]); + + tab_link.off('keydown').on('keydown', interpret_keyup_action ); + }, + + data_attr: function (str) { + if (this.namespace.length > 0) { + return this.namespace + '-' + str; + } + + return str; + }, + + off : function () {}, + + reflow : function () {} + }; +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.abide = { + name : 'abide', + + version : '5.4.7', + + settings : { + live_validate : true, + focus_on_invalid : true, + error_labels: true, // labels with a for="inputId" will recieve an `error` class + error_class: 'error', + timeout : 1000, + patterns : { + alpha: /^[a-zA-Z]+$/, + alpha_numeric : /^[a-zA-Z0-9]+$/, + integer: /^[-+]?\d+$/, + number: /^[-+]?\d*(?:[\.\,]\d+)?$/, + + // amex, visa, diners + card : /^(?:4[0-9]{12}(?:[0-9]{3})?|5[1-5][0-9]{14}|6(?:011|5[0-9][0-9])[0-9]{12}|3[47][0-9]{13}|3(?:0[0-5]|[68][0-9])[0-9]{11}|(?:2131|1800|35\d{3})\d{11})$/, + cvv : /^([0-9]){3,4}$/, + + // http://www.whatwg.org/specs/web-apps/current-work/multipage/states-of-the-type-attribute.html#valid-e-mail-address + email : /^[a-zA-Z0-9.!#$%&'*+\/=?^_`{|}~-]+@[a-zA-Z0-9](?:[a-zA-Z0-9-]{0,61}[a-zA-Z0-9])?(?:\.[a-zA-Z0-9](?:[a-zA-Z0-9-]{0,61}[a-zA-Z0-9])?)+$/, + + url: /^(https?|ftp|file|ssh):\/\/(((([a-zA-Z]|\d|-|\.|_|~|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])|(%[\da-f]{2})|[!\$&'\(\)\*\+,;=]|:)*@)?(((\d|[1-9]\d|1\d\d|2[0-4]\d|25[0-5])\.(\d|[1-9]\d|1\d\d|2[0-4]\d|25[0-5])\.(\d|[1-9]\d|1\d\d|2[0-4]\d|25[0-5])\.(\d|[1-9]\d|1\d\d|2[0-4]\d|25[0-5]))|((([a-zA-Z]|\d|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])|(([a-zA-Z]|\d|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])([a-zA-Z]|\d|-|\.|_|~|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])*([a-zA-Z]|\d|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])))\.)+(([a-zA-Z]|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])|(([a-zA-Z]|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])([a-zA-Z]|\d|-|\.|_|~|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])*([a-zA-Z]|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])))\.?)(:\d*)?)(\/((([a-zA-Z]|\d|-|\.|_|~|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])|(%[\da-f]{2})|[!\$&'\(\)\*\+,;=]|:|@)+(\/(([a-zA-Z]|\d|-|\.|_|~|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])|(%[\da-f]{2})|[!\$&'\(\)\*\+,;=]|:|@)*)*)?)?(\?((([a-zA-Z]|\d|-|\.|_|~|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])|(%[\da-f]{2})|[!\$&'\(\)\*\+,;=]|:|@)|[\uE000-\uF8FF]|\/|\?)*)?(\#((([a-zA-Z]|\d|-|\.|_|~|[\u00A0-\uD7FF\uF900-\uFDCF\uFDF0-\uFFEF])|(%[\da-f]{2})|[!\$&'\(\)\*\+,;=]|:|@)|\/|\?)*)?$/, + // abc.de + domain: /^([a-zA-Z0-9]([a-zA-Z0-9\-]{0,61}[a-zA-Z0-9])?\.)+[a-zA-Z]{2,6}$/, + + datetime: /^([0-2][0-9]{3})\-([0-1][0-9])\-([0-3][0-9])T([0-5][0-9])\:([0-5][0-9])\:([0-5][0-9])(Z|([\-\+]([0-1][0-9])\:00))$/, + // YYYY-MM-DD + date: /(?:19|20)[0-9]{2}-(?:(?:0[1-9]|1[0-2])-(?:0[1-9]|1[0-9]|2[0-9])|(?:(?!02)(?:0[1-9]|1[0-2])-(?:30))|(?:(?:0[13578]|1[02])-31))$/, + // HH:MM:SS + time : /^(0[0-9]|1[0-9]|2[0-3])(:[0-5][0-9]){2}$/, + dateISO: /^\d{4}[\/\-]\d{1,2}[\/\-]\d{1,2}$/, + // MM/DD/YYYY + month_day_year : /^(0[1-9]|1[012])[- \/.](0[1-9]|[12][0-9]|3[01])[- \/.]\d{4}$/, + // DD/MM/YYYY + day_month_year : /^(0[1-9]|[12][0-9]|3[01])[- \/.](0[1-9]|1[012])[- \/.]\d{4}$/, + + // #FFF or #FFFFFF + color: /^#?([a-fA-F0-9]{6}|[a-fA-F0-9]{3})$/ + }, + validators : { + equalTo: function(el, required, parent) { + var from = document.getElementById(el.getAttribute(this.add_namespace('data-equalto'))).value, + to = el.value, + valid = (from === to); + + return valid; + } + } + }, + + timer : null, + + init : function (scope, method, options) { + this.bindings(method, options); + }, + + events : function (scope) { + var self = this, + form = self.S(scope).attr('novalidate', 'novalidate'), + settings = form.data(this.attr_name(true) + '-init') || {}; + + this.invalid_attr = this.add_namespace('data-invalid'); + + form + .off('.abide') + .on('submit.fndtn.abide validate.fndtn.abide', function (e) { + var is_ajax = /ajax/i.test(self.S(this).attr(self.attr_name())); + return self.validate(self.S(this).find('input, textarea, select').get(), e, is_ajax); + }) + .on('reset', function() { + return self.reset($(this)); + }) + .find('input, textarea, select') + .off('.abide') + .on('blur.fndtn.abide change.fndtn.abide', function (e) { + self.validate([this], e); + }) + .on('keydown.fndtn.abide', function (e) { + if (settings.live_validate === true) { + clearTimeout(self.timer); + self.timer = setTimeout(function () { + self.validate([this], e); + }.bind(this), settings.timeout); + } + }); + }, + + reset : function (form) { + form.removeAttr(this.invalid_attr); + $(this.invalid_attr, form).removeAttr(this.invalid_attr); + $('.' + this.settings.error_class, form).not('small').removeClass(this.settings.error_class); + }, + + validate : function (els, e, is_ajax) { + var validations = this.parse_patterns(els), + validation_count = validations.length, + form = this.S(els[0]).closest('form'), + submit_event = /submit/.test(e.type); + + // Has to count up to make sure the focus gets applied to the top error + for (var i=0; i < validation_count; i++) { + if (!validations[i] && (submit_event || is_ajax)) { + if (this.settings.focus_on_invalid) els[i].focus(); + form.trigger('invalid'); + this.S(els[i]).closest('form').attr(this.invalid_attr, ''); + return false; + } + } + + if (submit_event || is_ajax) { + form.trigger('valid'); + } + + form.removeAttr(this.invalid_attr); + + if (is_ajax) return false; + + return true; + }, + + parse_patterns : function (els) { + var i = els.length, + el_patterns = []; + + while (i--) { + el_patterns.push(this.pattern(els[i])); + } + + return this.check_validation_and_apply_styles(el_patterns); + }, + + pattern : function (el) { + var type = el.getAttribute('type'), + required = typeof el.getAttribute('required') === 'string'; + + var pattern = el.getAttribute('pattern') || ''; + + if (this.settings.patterns.hasOwnProperty(pattern) && pattern.length > 0) { + return [el, this.settings.patterns[pattern], required]; + } else if (pattern.length > 0) { + return [el, new RegExp(pattern), required]; + } + + if (this.settings.patterns.hasOwnProperty(type)) { + return [el, this.settings.patterns[type], required]; + } + + pattern = /.*/; + + return [el, pattern, required]; + }, + + check_validation_and_apply_styles : function (el_patterns) { + var i = el_patterns.length, + validations = [], + form = this.S(el_patterns[0][0]).closest('[data-' + this.attr_name(true) + ']'), + settings = form.data(this.attr_name(true) + '-init') || {}; + while (i--) { + var el = el_patterns[i][0], + required = el_patterns[i][2], + value = el.value.trim(), + direct_parent = this.S(el).parent(), + validator = el.getAttribute(this.add_namespace('data-abide-validator')), + is_radio = el.type === "radio", + is_checkbox = el.type === "checkbox", + label = this.S('label[for="' + el.getAttribute('id') + '"]'), + valid_length = (required) ? (el.value.length > 0) : true, + el_validations = []; + + var parent, valid; + + // support old way to do equalTo validations + if(el.getAttribute(this.add_namespace('data-equalto'))) { validator = "equalTo" } + + if (!direct_parent.is('label')) { + parent = direct_parent; + } else { + parent = direct_parent.parent(); + } + + if (validator) { + valid = this.settings.validators[validator].apply(this, [el, required, parent]); + el_validations.push(valid); + } + + if (is_radio && required) { + el_validations.push(this.valid_radio(el, required)); + } else if (is_checkbox && required) { + el_validations.push(this.valid_checkbox(el, required)); + } else { + + if (el_patterns[i][1].test(value) && valid_length || + !required && el.value.length < 1 || $(el).attr('disabled')) { + el_validations.push(true); + } else { + el_validations.push(false); + } + + el_validations = [el_validations.every(function(valid){return valid;})]; + + if(el_validations[0]){ + this.S(el).removeAttr(this.invalid_attr); + el.setAttribute('aria-invalid', 'false'); + el.removeAttribute('aria-describedby'); + parent.removeClass(this.settings.error_class); + if (label.length > 0 && this.settings.error_labels) { + label.removeClass(this.settings.error_class).removeAttr('role'); + } + $(el).triggerHandler('valid'); + } else { + this.S(el).attr(this.invalid_attr, ''); + el.setAttribute('aria-invalid', 'true'); + + // Try to find the error associated with the input + var errorElem = parent.find('small.'+this.settings.error_class, 'span.'+this.settings.error_class); + var errorID = errorElem.length > 0 ? errorElem[0].id : ""; + if (errorID.length > 0) el.setAttribute('aria-describedby', errorID); + + // el.setAttribute('aria-describedby', $(el).find('.error')[0].id); + parent.addClass(this.settings.error_class); + if (label.length > 0 && this.settings.error_labels) { + label.addClass(this.settings.error_class).attr('role', 'alert'); + } + $(el).triggerHandler('invalid'); + } + } + validations.push(el_validations[0]); + } + validations = [validations.every(function(valid){return valid;})]; + return validations; + }, + + valid_checkbox : function(el, required) { + var el = this.S(el), + valid = (el.is(':checked') || !required); + + if (valid) { + el.removeAttr(this.invalid_attr).parent().removeClass(this.settings.error_class); + } else { + el.attr(this.invalid_attr, '').parent().addClass(this.settings.error_class); + } + + return valid; + }, + + valid_radio : function (el, required) { + var name = el.getAttribute('name'), + group = this.S(el).closest('[data-' + this.attr_name(true) + ']').find("[name='"+name+"']"), + count = group.length, + valid = false; + + // Has to count up to make sure the focus gets applied to the top error + for (var i=0; i < count; i++) { + if (group[i].checked) valid = true; + } + + // Has to count up to make sure the focus gets applied to the top error + for (var i=0; i < count; i++) { + if (valid) { + this.S(group[i]).removeAttr(this.invalid_attr).parent().removeClass(this.settings.error_class); + } else { + this.S(group[i]).attr(this.invalid_attr, '').parent().addClass(this.settings.error_class); + } + } + + return valid; + }, + + valid_equal: function(el, required, parent) { + var from = document.getElementById(el.getAttribute(this.add_namespace('data-equalto'))).value, + to = el.value, + valid = (from === to); + + if (valid) { + this.S(el).removeAttr(this.invalid_attr); + parent.removeClass(this.settings.error_class); + if (label.length > 0 && settings.error_labels) label.removeClass(this.settings.error_class); + } else { + this.S(el).attr(this.invalid_attr, ''); + parent.addClass(this.settings.error_class); + if (label.length > 0 && settings.error_labels) label.addClass(this.settings.error_class); + } + + return valid; + }, + + valid_oneof: function(el, required, parent, doNotValidateOthers) { + var el = this.S(el), + others = this.S('[' + this.add_namespace('data-oneof') + ']'), + valid = others.filter(':checked').length > 0; + + if (valid) { + el.removeAttr(this.invalid_attr).parent().removeClass(this.settings.error_class); + } else { + el.attr(this.invalid_attr, '').parent().addClass(this.settings.error_class); + } + + if (!doNotValidateOthers) { + var _this = this; + others.each(function() { + _this.valid_oneof.call(_this, this, null, null, true); + }); + } + + return valid; + } + }; +}(jQuery, window, window.document)); +;(function ($, window, document, undefined) { + 'use strict'; + + Foundation.libs.tooltip = { + name : 'tooltip', + + version : '5.4.7', + + settings : { + additional_inheritable_classes : [], + tooltip_class : '.tooltip', + append_to: 'body', + touch_close_text: 'Tap To Close', + disable_for_touch: false, + hover_delay: 200, + show_on : 'all', + tip_template : function (selector, content) { + return '' + content + ''; + } + }, + + cache : {}, + + init : function (scope, method, options) { + Foundation.inherit(this, 'random_str'); + this.bindings(method, options); + }, + + should_show: function (target, tip) { + var settings = $.extend({}, this.settings, this.data_options(target)); + + if (settings.show_on === 'all') { + return true; + } else if (this.small() && settings.show_on === 'small') { + return true; + } else if (this.medium() && settings.show_on === 'medium') { + return true; + } else if (this.large() && settings.show_on === 'large') { + return true; + } + return false; + }, + + medium : function () { + return matchMedia(Foundation.media_queries['medium']).matches; + }, + + large : function () { + return matchMedia(Foundation.media_queries['large']).matches; + }, + + events : function (instance) { + var self = this, + S = self.S; + + self.create(this.S(instance)); + + $(this.scope) + .off('.tooltip') + .on('mouseenter.fndtn.tooltip mouseleave.fndtn.tooltip touchstart.fndtn.tooltip MSPointerDown.fndtn.tooltip', + '[' + this.attr_name() + ']', function (e) { + var $this = S(this), + settings = $.extend({}, self.settings, self.data_options($this)), + is_touch = false; + + if (Modernizr.touch && /touchstart|MSPointerDown/i.test(e.type) && S(e.target).is('a')) { + return false; + } + + if (/mouse/i.test(e.type) && self.ie_touch(e)) return false; + + if ($this.hasClass('open')) { + if (Modernizr.touch && /touchstart|MSPointerDown/i.test(e.type)) e.preventDefault(); + self.hide($this); + } else { + if (settings.disable_for_touch && Modernizr.touch && /touchstart|MSPointerDown/i.test(e.type)) { + return; + } else if(!settings.disable_for_touch && Modernizr.touch && /touchstart|MSPointerDown/i.test(e.type)) { + e.preventDefault(); + S(settings.tooltip_class + '.open').hide(); + is_touch = true; + } + + if (/enter|over/i.test(e.type)) { + this.timer = setTimeout(function () { + var tip = self.showTip($this); + }.bind(this), self.settings.hover_delay); + } else if (e.type === 'mouseout' || e.type === 'mouseleave') { + clearTimeout(this.timer); + self.hide($this); + } else { + self.showTip($this); + } + } + }) + .on('mouseleave.fndtn.tooltip touchstart.fndtn.tooltip MSPointerDown.fndtn.tooltip', '[' + this.attr_name() + '].open', function (e) { + if (/mouse/i.test(e.type) && self.ie_touch(e)) return false; + + if($(this).data('tooltip-open-event-type') == 'touch' && e.type == 'mouseleave') { + return; + } + else if($(this).data('tooltip-open-event-type') == 'mouse' && /MSPointerDown|touchstart/i.test(e.type)) { + self.convert_to_touch($(this)); + } else { + self.hide($(this)); + } + }) + .on('DOMNodeRemoved DOMAttrModified', '[' + this.attr_name() + ']:not(a)', function (e) { + self.hide(S(this)); + }); + }, + + ie_touch : function (e) { + // How do I distinguish between IE11 and Windows Phone 8????? + return false; + }, + + showTip : function ($target) { + var $tip = this.getTip($target); + if (this.should_show($target, $tip)){ + return this.show($target); + } + return; + }, + + getTip : function ($target) { + var selector = this.selector($target), + settings = $.extend({}, this.settings, this.data_options($target)), + tip = null; + + if (selector) { + tip = this.S('span[data-selector="' + selector + '"]' + settings.tooltip_class); + } + + return (typeof tip === 'object') ? tip : false; + }, + + selector : function ($target) { + var id = $target.attr('id'), + dataSelector = $target.attr(this.attr_name()) || $target.attr('data-selector'); + + if ((id && id.length < 1 || !id) && typeof dataSelector != 'string') { + dataSelector = this.random_str(6); + $target + .attr('data-selector', dataSelector) + .attr('aria-describedby', dataSelector); + } + + return (id && id.length > 0) ? id : dataSelector; + }, + + create : function ($target) { + var self = this, + settings = $.extend({}, this.settings, this.data_options($target)), + tip_template = this.settings.tip_template; + + if (typeof settings.tip_template === 'string' && window.hasOwnProperty(settings.tip_template)) { + tip_template = window[settings.tip_template]; + } + + var $tip = $(tip_template(this.selector($target), $('
          ').html($target.attr('title')).html())), + classes = this.inheritable_classes($target); + + $tip.addClass(classes).appendTo(settings.append_to); + + if (Modernizr.touch) { + $tip.append(''+settings.touch_close_text+''); + $tip.on('touchstart.fndtn.tooltip MSPointerDown.fndtn.tooltip', function(e) { + self.hide($target); + }); + } + + $target.removeAttr('title').attr('title',''); + }, + + reposition : function (target, tip, classes) { + var width, nub, nubHeight, nubWidth, column, objPos; + + tip.css('visibility', 'hidden').show(); + + width = target.data('width'); + nub = tip.children('.nub'); + nubHeight = nub.outerHeight(); + nubWidth = nub.outerHeight(); + + if (this.small()) { + tip.css({'width' : '100%' }); + } else { + tip.css({'width' : (width) ? width : 'auto'}); + } + + objPos = function (obj, top, right, bottom, left, width) { + return obj.css({ + 'top' : (top) ? top : 'auto', + 'bottom' : (bottom) ? bottom : 'auto', + 'left' : (left) ? left : 'auto', + 'right' : (right) ? right : 'auto' + }).end(); + }; + + objPos(tip, (target.offset().top + target.outerHeight() + 10), 'auto', 'auto', target.offset().left); + + if (this.small()) { + objPos(tip, (target.offset().top + target.outerHeight() + 10), 'auto', 'auto', 12.5, $(this.scope).width()); + tip.addClass('tip-override'); + objPos(nub, -nubHeight, 'auto', 'auto', target.offset().left); + } else { + var left = target.offset().left; + if (Foundation.rtl) { + nub.addClass('rtl'); + left = target.offset().left + target.outerWidth() - tip.outerWidth(); + } + objPos(tip, (target.offset().top + target.outerHeight() + 10), 'auto', 'auto', left); + tip.removeClass('tip-override'); + if (classes && classes.indexOf('tip-top') > -1) { + if (Foundation.rtl) nub.addClass('rtl'); + objPos(tip, (target.offset().top - tip.outerHeight()), 'auto', 'auto', left) + .removeClass('tip-override'); + } else if (classes && classes.indexOf('tip-left') > -1) { + objPos(tip, (target.offset().top + (target.outerHeight() / 2) - (tip.outerHeight() / 2)), 'auto', 'auto', (target.offset().left - tip.outerWidth() - nubHeight)) + .removeClass('tip-override'); + nub.removeClass('rtl'); + } else if (classes && classes.indexOf('tip-right') > -1) { + objPos(tip, (target.offset().top + (target.outerHeight() / 2) - (tip.outerHeight() / 2)), 'auto', 'auto', (target.offset().left + target.outerWidth() + nubHeight)) + .removeClass('tip-override'); + nub.removeClass('rtl'); + } + } + + tip.css('visibility', 'visible').hide(); + }, + + small : function () { + return matchMedia(Foundation.media_queries.small).matches && + !matchMedia(Foundation.media_queries.medium).matches; + }, + + inheritable_classes : function ($target) { + var settings = $.extend({}, this.settings, this.data_options($target)), + inheritables = ['tip-top', 'tip-left', 'tip-bottom', 'tip-right', 'radius', 'round'].concat(settings.additional_inheritable_classes), + classes = $target.attr('class'), + filtered = classes ? $.map(classes.split(' '), function (el, i) { + if ($.inArray(el, inheritables) !== -1) { + return el; + } + }).join(' ') : ''; + + return $.trim(filtered); + }, + + convert_to_touch : function($target) { + var self = this, + $tip = self.getTip($target), + settings = $.extend({}, self.settings, self.data_options($target)); + + if ($tip.find('.tap-to-close').length === 0) { + $tip.append(''+settings.touch_close_text+''); + $tip.on('click.fndtn.tooltip.tapclose touchstart.fndtn.tooltip.tapclose MSPointerDown.fndtn.tooltip.tapclose', function(e) { + self.hide($target); + }); + } + + $target.data('tooltip-open-event-type', 'touch'); + }, + + show : function ($target) { + var $tip = this.getTip($target); + + if ($target.data('tooltip-open-event-type') == 'touch') { + this.convert_to_touch($target); + } + + this.reposition($target, $tip, $target.attr('class')); + $target.addClass('open'); + $tip.fadeIn(150); + }, + + hide : function ($target) { + var $tip = this.getTip($target); + + $tip.fadeOut(150, function() { + 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